A0A5K4F8K8_SCHMA Loading...

Peptidase_M13 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8K8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 274 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	33.4	Very low	43.8	Very low	230 Å²	230	128.4 Å²	128.4	100%	1.133	66%	0.663	S	S	*	*				0	90.6	0	-135.7	-177.7	-142.3	0	0	104.5	I3	M1-I3 PolarHBondContact O-N 3.07Å; M1-I3 VanDerWaalsContact O-N 3.14Å
2	D	29.4	Very low	44.9	Very low	135 Å²	135	120.3 Å²	120.3	72%	0.722	63%	0.63	S	S	*	*			trans	-74.3	107.3	-174.7	-62.3	-30.8	0	0	0	107.6	F4	D2-F4 VanDerWaalsContact C-N 3.25Å; D2-F4 HydrophobicContact CB-CD2 4.11Å; D2-F4 HydrophobicContact CB-CE2 3.69Å; D2-F4 HydrophobicContact CB-CZ 4.31Å; D2-F4 WeakPolarHBondContact O-CD2 3.17Å; D2-F4 PolarHBondContact O-N 3.19Å
3	I	28	Very low	45.7	Very low	156 Å²	156	112.4 Å²	112.4	80%	0.8	59%	0.591	S	S	*	*			trans	-73.5	90	175	-61.2	174.9	0	0	0	106.1	M1 A5	M1-I3 PolarHBondContact O-N 3.07Å; M1-I3 VanDerWaalsContact O-N 3.14Å; I3-A5 HydrophobicContact CG2-CB 4.18Å; I3-A5 PolarHBondContact O-N 3.37Å
4	F	33.2	Very low	46.4	Very low	131 Å²	131	111.9 Å²	111.9	58%	0.575	58%	0.584	S	S	*	*			trans	-69	78.2	163	-69.4	-83.9	0	0	0	107.9	D2 L6	D2-F4 VanDerWaalsContact C-N 3.25Å; D2-F4 HydrophobicContact CB-CD2 4.11Å; D2-F4 HydrophobicContact CB-CE2 3.69Å; D2-F4 HydrophobicContact CB-CZ 4.31Å; D2-F4 WeakPolarHBondContact O-CD2 3.17Å; D2-F4 PolarHBondContact O-N 3.19Å; F4-L6 PolarHBondContact O-N 3.41Å
5	A	33.7	Very low	46.9	Very low	65 Å²	65	110.7 Å²	110.7	54%	0.537	58%	0.583	S	S	.	*			trans	-70.1	105.5	173	0	0	0	0	0	108.1	I3	I3-A5 HydrophobicContact CG2-CB 4.18Å; I3-A5 PolarHBondContact O-N 3.37Å
6	L	47.5	Very low	47.4	Very low	108 Å²	108	109.4 Å²	109.4	57%	0.565	57%	0.571	S	S	*	*	S	Bend	trans	111.1	-15.7	159.4	-61.8	157.4	0	0	0	118.7	F4 F65	F4-L6 PolarHBondContact O-N 3.41Å; L6-F65 HydrophobicContact CD1-CE2 4.48Å; L6-F65 HydrophobicContact CD1-CZ 3.84Å
7	Y	49.1	Very low	48.4	Very low	82 Å²	82	110.4 Å²	110.4	32%	0.322	57%	0.572	S	S	.	*			trans	-136.3	139.6	-179.1	-52.9	-63.9	0	0	0	114.2	N9 K16	Y7-N9 VanDerWaalsContact C-N 3.33Å; Y7-N9 PolarHBondContact O-N 2.82Å; Y7-K16 HydrophobicContact CD1-CD 3.83Å; Y7-K16 HydrophobicContact CE1-CD 3.51Å; Y7-K16 HydrophobicContact CE2-CD 4.41Å; Y7-K16 HydrophobicContact CG-CD 4.43Å
8	S	53.4	Low	50	Low	128 Å²	128	108.5 Å²	108.5	90%	0.895	56%	0.563	S	S	*	*	S	Bend	trans	-75.7	-8.9	-169.2	50.2	0	0	0	0	115.5
9	N	57.3	Low	51.5	Low	91 Å²	91	107.6 Å²	107.6	49%	0.487	56%	0.558	S	S	.	*	S	Bend	trans	-157.7	166.5	165.8	79	24.4	0	0	0	112.2	Y7 N11 A12 S13	Y7-N9 VanDerWaalsContact C-N 3.33Å; Y7-N9 PolarHBondContact O-N 2.82Å; N9-N11 PolarHBondContact OD1-N 3.24Å; N9-A12 PolarHBondContact O-N 3.35Å; N9-A12 VanDerWaalsContact OD1-CB 3.32Å; N9-A12 WeakPolarHBondContact OD1-CB 3.34Å; N9-A12 PolarHBondContact OD1-N 3.47Å; N9-S13 PolarHBondContact O-N 3.45Å
10	R	57.6	Low	53.2	Low	172 Å²	172	103.9 Å²	103.9	65%	0.649	54%	0.542	S	S	*	.	H	α-helix	trans	-63.9	-42.5	-176.4	-171.3	176.4	177.3	165.8	3.4	114.2	A12 S13 E14	R10-A12 VanDerWaalsContact C-N 3.26Å; R10-A12 PolarHBondContact O-N 2.77Å; R10-S13 PolarHBondContact O-N 3.01Å; R10-S13 PolarHBondContact O-OG 3.38Å; R10-E14 IonicContact NE-OE1 3.65Å; R10-E14 PolarHBondContact O-N 3.41Å; R10-E14 VanDerWaalsContact O-N 3.09Å
11	N	59.3	Low	54.5	Low	114 Å²	114	102.7 Å²	102.7	61%	0.61	54%	0.539	S	S	*	.	H	α-helix	trans	-64.2	-33.2	178.9	-72.8	7.7	0	0	0	112.1	N9 S13 V15	N9-N11 PolarHBondContact OD1-N 3.24Å; N11-S13 VanDerWaalsContact C-N 3.31Å; N11-V15 WeakPolarHBondContact O-CG2 3.21Å; N11-V15 PolarHBondContact O-N 2.9Å
12	A	56.9	Low	56.6	Low	32 Å²	32	93.5 Å²	93.5	26%	0.264	50%	0.496	S	S	.	.	H	α-helix	trans	-72.2	-23.5	174.8	0	0	0	0	0	112.8	N9 R10 K16	N9-A12 PolarHBondContact O-N 3.35Å; N9-A12 VanDerWaalsContact OD1-CB 3.32Å; N9-A12 WeakPolarHBondContact OD1-CB 3.34Å; N9-A12 PolarHBondContact OD1-N 3.47Å; R10-A12 VanDerWaalsContact C-N 3.26Å; R10-A12 PolarHBondContact O-N 2.77Å; A12-K16 WeakPolarHBondContact O-CB 3.28Å; A12-K16 WeakPolarHBondContact O-CG 3.2Å
13	S	56	Low	59.1	Low	17 Å²	17	88.5 Å²	88.5	12%	0.119	47%	0.468	C	S	.	.	H	α-helix	trans	-77.3	-46.9	173.4	100.5	0	0	0	0	110.8	N9 R10 N11 V15 K16 E17	N9-S13 PolarHBondContact O-N 3.45Å; R10-S13 PolarHBondContact O-N 3.01Å; R10-S13 PolarHBondContact O-OG 3.38Å; N11-S13 VanDerWaalsContact C-N 3.31Å; S13-V15 VanDerWaalsContact C-N 3.35Å; S13-V15 PolarHBondContact O-N 2.86Å; S13-K16 CarbonylContact O-C 3.37Å; S13-K16 PolarHBondContact O-N 3.03Å; S13-E17 WeakPolarHBondContact CB-OE1 3.49Å; S13-E17 WeakPolarHBondContact O-CB 3.43Å; S13-E17 VanDerWaalsContact O-CG 3.27Å; S13-E17 WeakPolarHBondContact O-CG 3.29Å; S13-E17 PolarHBondContact O-N 3.31Å; S13-E17 PolarHBondContact OG-OE1 3.06Å
14	E	55.2	Low	61.9	Low	106 Å²	106	87.7 Å²	87.7	50%	0.495	46%	0.461	S	S	.	.	H	α-helix	trans	-60.3	-39.7	-178.1	-72	176.2	-175.1	0	0	113	R10 N18	R10-E14 IonicContact NE-OE1 3.65Å; R10-E14 PolarHBondContact O-N 3.41Å; R10-E14 VanDerWaalsContact O-N 3.09Å; E14-N18 PolarHBondContact O-N 3.26Å
15	V	54.3	Low	64.6	Low	94 Å²	94	83.5 Å²	83.5	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-71.1	-32	176.2	177.2	0	0	0	0	112.3	N11 S13	N11-V15 WeakPolarHBondContact O-CG2 3.21Å; N11-V15 PolarHBondContact O-N 2.9Å; S13-V15 VanDerWaalsContact C-N 3.35Å; S13-V15 PolarHBondContact O-N 2.86Å
16	K	55	Low	67.3	Low	90 Å²	90	84 Å²	84	39%	0.391	44%	0.439	S	S	.	.	H	α-helix	trans	-86.5	-18	178.9	-73.5	-176.5	179.5	-179.6	0	113.6	Y7 A12 S13 V22 L59	Y7-K16 HydrophobicContact CD1-CD 3.83Å; Y7-K16 HydrophobicContact CE1-CD 3.51Å; Y7-K16 HydrophobicContact CE2-CD 4.41Å; Y7-K16 HydrophobicContact CG-CD 4.43Å; A12-K16 WeakPolarHBondContact O-CB 3.28Å; A12-K16 WeakPolarHBondContact O-CG 3.2Å; S13-K16 CarbonylContact O-C 3.37Å; S13-K16 PolarHBondContact O-N 3.03Å; K16-V22 WeakPolarHBondContact O-CG2 3.45Å; K16-L59 HydrophobicContact CD-CD1 4.3Å
17	E	63.5	Low	69.3	Low	125 Å²	125	80.2 Å²	80.2	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-83.5	-17.2	173.9	-75.4	169.9	-149.1	0	0	112	S13 L19	S13-E17 WeakPolarHBondContact CB-OE1 3.49Å; S13-E17 WeakPolarHBondContact O-CB 3.43Å; S13-E17 VanDerWaalsContact O-CG 3.27Å; S13-E17 WeakPolarHBondContact O-CG 3.29Å; S13-E17 PolarHBondContact O-N 3.31Å; S13-E17 PolarHBondContact OG-OE1 3.06Å; E17-L19 PolarHBondContact O-N 3.29Å
18	N	77.4	Confident	71.2	Confident	77 Å²	77	83.4 Å²	83.4	41%	0.412	43%	0.431	S	S	.	.			trans	-69.2	97.8	171.2	-170.8	-23.4	0	0	0	110.5	E14 S20 T21 V22	E14-N18 PolarHBondContact O-N 3.26Å; N18-S20 PolarHBondContact O-N 3.43Å; N18-S20 VanDerWaalsContact O-N 3.12Å; N18-S20 WeakPolarHBondContact OD1-CA 3.26Å; N18-S20 VanDerWaalsContact OD1-CB 3.26Å; N18-S20 WeakPolarHBondContact OD1-CB 3.46Å; N18-S20 PolarHBondContact OD1-N 3.08Å; N18-T21 WeakPolarHBondContact O-CA 3.43Å; N18-T21 WeakPolarHBondContact O-CB 3.38Å; N18-T21 PolarHBondContact O-N 3.48Å; N18-T21 PolarHBondContact OD1-N 2.65Å; N18-V22 PolarHBondContact O-N 3.11Å
19	L	78.9	Confident	72.9	Confident	91 Å²	91	87.2 Å²	87.2	48%	0.476	43%	0.434	S	S	.	.	H	α-helix	trans	-54.5	-32.3	178.7	-63	177.7	0	0	0	112.5	E17 T21 V22 F23 I27	E17-L19 PolarHBondContact O-N 3.29Å; L19-T21 VanDerWaalsContact C-N 3.34Å; L19-V22 PolarHBondContact O-N 2.92Å; L19-F23 HydrophobicContact CB-CD2 4.25Å; L19-F23 HydrophobicContact CB-CE2 4.38Å; L19-F23 HydrophobicContact CD2-CE2 4.06Å; L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CD2 3.45Å; L19-F23 PolarHBondContact O-N 3Å; L19-I27 HydrophobicContact CB-CB 4.12Å; L19-I27 HydrophobicContact CB-CG1 4.07Å; L19-I27 HydrophobicContact CB-CG2 4.03Å; L19-I27 HydrophobicContact CD1-CG2 4.21Å
20	S	84.1	Confident	74.5	Confident	33 Å²	33	88.7 Å²	88.7	23%	0.231	44%	0.442	C	S	.	.	H	α-helix	trans	-66.2	-39.8	177.6	-58.6	0	0	0	0	112.2	N18 Q24 Y25 I27	N18-S20 PolarHBondContact O-N 3.43Å; N18-S20 VanDerWaalsContact O-N 3.12Å; N18-S20 WeakPolarHBondContact OD1-CA 3.26Å; N18-S20 VanDerWaalsContact OD1-CB 3.26Å; N18-S20 WeakPolarHBondContact OD1-CB 3.46Å; N18-S20 PolarHBondContact OD1-N 3.08Å; S20-Q24 VanDerWaalsContact O-CA 3.26Å; S20-Q24 WeakPolarHBondContact O-CA 3.19Å; S20-Q24 PolarHBondContact O-N 2.91Å; S20-Y25 CarbonylContact C-O 3.59Å; S20-Y25 WeakPolarHBondContact CA-O 3.19Å; S20-Y25 VanDerWaalsContact CB-O 3.24Å; S20-Y25 WeakPolarHBondContact CB-O 3.45Å; S20-Y25 PolarHBondContact O-N 2.91Å; S20-I27 PolarHBondContact OG-N 2.76Å; S20-I27 PolarHBondContact OG-O 3.32Å
21	T	81.5	Confident	76.2	Confident	80 Å²	80	83.7 Å²	83.7	49%	0.491	43%	0.428	S	S	.	.	H	α-helix	trans	-68.9	-42.6	175.3	-54.6	0	0	0	0	111.1	N18 L19 Q24	N18-T21 WeakPolarHBondContact O-CA 3.43Å; N18-T21 WeakPolarHBondContact O-CB 3.38Å; N18-T21 PolarHBondContact O-N 3.48Å; N18-T21 PolarHBondContact OD1-N 2.65Å; L19-T21 VanDerWaalsContact C-N 3.34Å; T21-Q24 PolarHBondContact O-N 2.83Å
22	V	77.6	Confident	77.8	Confident	37 Å²	37	85.8 Å²	85.8	22%	0.224	43%	0.429	C	S	.	.	H	α-helix	trans	-62	-49.5	179.2	174	0	0	0	0	111.4	K16 N18 L19	K16-V22 WeakPolarHBondContact O-CG2 3.45Å; N18-V22 PolarHBondContact O-N 3.11Å; L19-V22 PolarHBondContact O-N 2.92Å
23	F	82.6	Confident	79.6	Confident	29 Å²	29	93.7 Å²	93.7	13%	0.127	45%	0.453	C	S	.	.	H	α-helix	trans	-84.5	-10.8	-177.8	-66.4	-61.4	0	0	0	113.5	L19 Y25 I27 I39 A42 I60	L19-F23 HydrophobicContact CB-CD2 4.25Å; L19-F23 HydrophobicContact CB-CE2 4.38Å; L19-F23 HydrophobicContact CD2-CE2 4.06Å; L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CD2 3.45Å; L19-F23 PolarHBondContact O-N 3Å; F23-Y25 HydrophobicContact CB-CD2 4.45Å; F23-Y25 WeakPolarHBondContact O-CD2 3.43Å; F23-Y25 WeakPolarHBondContact O-CE2 3.36Å; F23-Y25 PolarHBondContact O-N 3.14Å; F23-I27 HydrophobicContact CD2-CD1 4.35Å; F23-I27 HydrophobicContact CD2-CG1 4.18Å; F23-I39 HydrophobicContact CD1-CG1 4.43Å; F23-I39 HydrophobicContact CD2-CG1 3.86Å; F23-I39 HydrophobicContact CE1-CG1 4.33Å; F23-I39 HydrophobicContact CE1-CG2 4.03Å; F23-I39 HydrophobicContact CE2-CD1 4.13Å; F23-I39 HydrophobicContact CE2-CG1 3.75Å; F23-I39 HydrophobicContact CG-CG1 4.21Å; F23-I39 HydrophobicContact CZ-CD1 4.49Å; F23-I39 HydrophobicContact CZ-CG1 4Å; F23-I39 HydrophobicContact CZ-CG2 4.07Å; F23-A42 HydrophobicContact CB-CB 4.08Å; F23-A42 HydrophobicContact CD1-CB 3.86Å; F23-A42 HydrophobicContact CG-CB 4.42Å; F23-I60 HydrophobicContact CE1-CG1 4.28Å
24	Q	86.4	Confident	81.5	Confident	140 Å²	140	95.5 Å²	95.5	65%	0.654	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	28.4	-172.9	-53.7	-180	-11.4	0	0	113.3	S20 T21	S20-Q24 VanDerWaalsContact O-CA 3.26Å; S20-Q24 WeakPolarHBondContact O-CA 3.19Å; S20-Q24 PolarHBondContact O-N 2.91Å; T21-Q24 PolarHBondContact O-N 2.83Å
25	Y	89.2	Confident	83.3	Confident	43 Å²	43	91.4 Å²	91.4	17%	0.169	44%	0.443	C	S	.	.	S	Bend	trans	-135.7	150.8	176.6	-70.1	-77.7	0	0	0	109.5	S20 F23 I27 Y38 R41 A42	S20-Y25 CarbonylContact C-O 3.59Å; S20-Y25 WeakPolarHBondContact CA-O 3.19Å; S20-Y25 VanDerWaalsContact CB-O 3.24Å; S20-Y25 WeakPolarHBondContact CB-O 3.45Å; S20-Y25 PolarHBondContact O-N 2.91Å; F23-Y25 HydrophobicContact CB-CD2 4.45Å; F23-Y25 WeakPolarHBondContact O-CD2 3.43Å; F23-Y25 WeakPolarHBondContact O-CE2 3.36Å; F23-Y25 PolarHBondContact O-N 3.14Å; Y25-I27 PolarHBondContact O-N 3.35Å; Y25-Y38 AromaticContact CD1-CD1 3.53Å; Y25-Y38 HydrophobicContact CD1-CD1 3.53Å; Y25-Y38 AromaticContact CD1-CE1 4Å; Y25-Y38 HydrophobicContact CD1-CE1 4Å; Y25-Y38 HydrophobicContact CD1-CG 4.02Å; Y25-Y38 HydrophobicContact CE1-CD1 4.21Å; Y25-Y38 AromaticContact CG-CD1 3.88Å; Y25-Y38 HydrophobicContact CG-CD1 3.88Å; Y25-Y38 AromaticContact CG-CG 3.88Å; Y25-Y38 HydrophobicContact CG-CG 3.88Å; Y25-R41 HydrophobicContact CE2-CG 4.45Å; Y25-R41 WeakPolarHBondContact OH-CD 3.24Å; Y25-R41 WeakPolarHBondContact OH-CG 3.24Å; Y25-R41 PolarHBondContact OH-NE 3.18Å; Y25-R41 VanDerWaalsContact OH-NE 3.08Å; Y25-A42 HydrophobicContact CD2-CB 3.91Å; Y25-A42 HydrophobicContact CE2-CB 3.75Å
26	P	90.5	Very high	85.1	Confident	75 Å²	75	89.8 Å²	89.8	49%	0.487	43%	0.429	S	S	.	.			trans	-70.5	103	177.5	28.4	-32.4	0	0	0	110.4	Y38	P26-Y38 HydrophobicContact CG-CE2 3.85Å; P26-Y38 WeakPolarHBondContact O-CD2 3.28Å; P26-Y38 WeakPolarHBondContact O-CE2 3.35Å
27	I	89.5	Confident	87	Confident	28 Å²	28	91 Å²	91	14%	0.144	43%	0.434	C	S	.	.			trans	-90.3	125	173.4	-57	-57.7	0	0	0	108.3	L19 S20 F23 Y25 N35 I39	L19-I27 HydrophobicContact CB-CB 4.12Å; L19-I27 HydrophobicContact CB-CG1 4.07Å; L19-I27 HydrophobicContact CB-CG2 4.03Å; L19-I27 HydrophobicContact CD1-CG2 4.21Å; S20-I27 PolarHBondContact OG-N 2.76Å; S20-I27 PolarHBondContact OG-O 3.32Å; F23-I27 HydrophobicContact CD2-CD1 4.35Å; F23-I27 HydrophobicContact CD2-CG1 4.18Å; Y25-I27 PolarHBondContact O-N 3.35Å; I27-N35 WeakPolarHBondContact CA-OD1 3.04Å; I27-N35 HydrophobicContact CD1-CB 4.25Å; I27-N35 HydrophobicContact CG2-CB 4.42Å; I27-I39 HydrophobicContact CD1-CG1 4.17Å
28	R	89	Confident	88.4	Confident	149 Å²	149	87.6 Å²	87.6	56%	0.562	42%	0.416	S	S	*	.			trans	-125.3	136.5	-176.1	-57.6	178.8	63.8	163.5	2.6	111.7	D30 N31 N35	R28-D30 VanDerWaalsContact CB-OD1 3.23Å; R28-D30 WeakPolarHBondContact CB-OD1 3.34Å; R28-D30 IonicContact NE-OD1 2.79Å; R28-D30 PolarHBondContact NE-OD1 3.02Å; R28-D30 IonicContact NH2-OD2 2.74Å; R28-D30 PolarHBondContact O-N 2.93Å; R28-D30 VanDerWaalsContact O-N 3.17Å; R28-N31 PolarHBondContact O-N 3.4Å; R28-N35 PolarHBondContact N-OD1 3.14Å; R28-N35 PolarHBondContact O-ND2 3.37Å
29	E	88.1	Confident	89	Confident	209 Å²	209	85.5 Å²	85.5	98%	0.977	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.8	-177.3	-65.1	-177.4	172.1	0	0	113.5
30	D	92.3	Very high	89.5	Confident	122 Å²	122	89 Å²	89	65%	0.652	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.3	-175.4	63.7	-19.9	0	0	0	114.5	R28	R28-D30 VanDerWaalsContact CB-OD1 3.23Å; R28-D30 WeakPolarHBondContact CB-OD1 3.34Å; R28-D30 IonicContact NE-OD1 2.79Å; R28-D30 PolarHBondContact NE-OD1 3.02Å; R28-D30 IonicContact NH2-OD2 2.74Å; R28-D30 PolarHBondContact O-N 2.93Å; R28-D30 VanDerWaalsContact O-N 3.17Å
31	N	92.7	Very high	89.9	Confident	66 Å²	66	93.3 Å²	93.3	35%	0.353	42%	0.423	S	S	.	.			trans	-137.3	77.8	-172.5	-162	-24.7	0	0	0	113.9	R28 Y33 I34 N35	R28-N31 PolarHBondContact O-N 3.4Å; N31-Y33 PolarHBondContact O-N 3.32Å; N31-I34 HydrophobicContact CB-CG2 3.66Å; N31-I34 WeakPolarHBondContact ND2-CG2 3.37Å; N31-I34 WeakPolarHBondContact OD1-CB 3.36Å; N31-I34 WeakPolarHBondContact OD1-CG2 3.41Å; N31-I34 PolarHBondContact OD1-N 3.08Å; N31-I34 VanDerWaalsContact OD1-N 3.12Å; N31-N35 WeakPolarHBondContact O-CB 3.48Å; N31-N35 PolarHBondContact O-N 3.35Å; N31-N35 VanDerWaalsContact O-N 3.16Å; N31-N35 PolarHBondContact O-ND2 3.43Å; N31-N35 PolarHBondContact O-OD1 3.23Å
32	Y	92.6	Very high	90.2	Very high	159 Å²	159	89.8 Å²	89.8	62%	0.624	40%	0.402	S	S	*	.	H	α-helix	trans	-56.6	-48.1	179.1	175.8	-101.6	0	0	0	113.7	I34 N35 E36	Y32-I34 PolarHBondContact O-N 2.9Å; Y32-N35 WeakPolarHBondContact O-CB 3.35Å; Y32-N35 PolarHBondContact O-N 2.88Å; Y32-E36 PolarHBondContact O-N 3.14Å
33	Y	95.2	Very high	90.6	Very high	197 Å²	197	92.8 Å²	92.8	77%	0.773	41%	0.412	S	S	*	.	H	α-helix	trans	-64.9	-42.3	-173.8	-69.1	-75.4	0	0	0	112.6	N31 N35 F37	N31-Y33 PolarHBondContact O-N 3.32Å; Y33-N35 VanDerWaalsContact C-N 3.34Å; Y33-F37 PolarHBondContact O-N 3Å; Y33-F37 VanDerWaalsContact O-N 3.17Å
34	I	95.4	Very high	90.8	Very high	55 Å²	55	98.6 Å²	98.6	28%	0.282	43%	0.434	S	S	.	.	H	α-helix	trans	-69.5	-36.3	177.6	-152.8	68.3	0	0	0	111.1	N31 Y32 F37 Y38	N31-I34 HydrophobicContact CB-CG2 3.66Å; N31-I34 WeakPolarHBondContact ND2-CG2 3.37Å; N31-I34 WeakPolarHBondContact OD1-CB 3.36Å; N31-I34 WeakPolarHBondContact OD1-CG2 3.41Å; N31-I34 PolarHBondContact OD1-N 3.08Å; N31-I34 VanDerWaalsContact OD1-N 3.12Å; Y32-I34 PolarHBondContact O-N 2.9Å; I34-F37 PolarHBondContact O-N 2.98Å; I34-Y38 HydrophobicContact CB-CE2 4.41Å; I34-Y38 HydrophobicContact CG1-CD2 4.11Å; I34-Y38 HydrophobicContact CG1-CE1 4.36Å; I34-Y38 HydrophobicContact CG1-CE2 3.54Å; I34-Y38 HydrophobicContact CG2-CD2 4.37Å; I34-Y38 HydrophobicContact CG2-CE2 4.11Å; I34-Y38 WeakPolarHBondContact O-CB 3.34Å; I34-Y38 WeakPolarHBondContact O-CD2 3.46Å; I34-Y38 PolarHBondContact O-N 3.31Å
35	N	93.3	Very high	90.8	Very high	21 Å²	21	94.2 Å²	94.2	11%	0.112	42%	0.417	C	S	.	.	H	α-helix	trans	-62.1	-46.4	176.7	-67.5	-14.3	0	0	0	111	I27 R28 N31 Y32 Y33 F37 Y38 I39	I27-N35 WeakPolarHBondContact CA-OD1 3.04Å; I27-N35 HydrophobicContact CD1-CB 4.25Å; I27-N35 HydrophobicContact CG2-CB 4.42Å; R28-N35 PolarHBondContact N-OD1 3.14Å; R28-N35 PolarHBondContact O-ND2 3.37Å; N31-N35 WeakPolarHBondContact O-CB 3.48Å; N31-N35 PolarHBondContact O-N 3.35Å; N31-N35 VanDerWaalsContact O-N 3.16Å; N31-N35 PolarHBondContact O-ND2 3.43Å; N31-N35 PolarHBondContact O-OD1 3.23Å; Y32-N35 WeakPolarHBondContact O-CB 3.35Å; Y32-N35 PolarHBondContact O-N 2.88Å; Y33-N35 VanDerWaalsContact C-N 3.34Å; N35-F37 VanDerWaalsContact C-N 3.32Å; N35-F37 PolarHBondContact O-N 3.24Å; N35-Y38 PolarHBondContact O-N 2.88Å; N35-Y38 VanDerWaalsContact O-N 3.17Å; N35-I39 WeakPolarHBondContact O-CB 3.4Å; N35-I39 WeakPolarHBondContact O-CG1 3.12Å; N35-I39 PolarHBondContact O-N 3.3Å
36	E	92.9	Very high	90.6	Very high	59 Å²	59	92.7 Å²	92.7	28%	0.276	41%	0.412	S	S	.	.	H	α-helix	trans	-61.7	-41.5	178.7	-178.9	62.8	-171.8	0	0	111.4	Y32 I39 R40	Y32-E36 PolarHBondContact O-N 3.14Å; E36-I39 PolarHBondContact O-N 2.94Å; E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 WeakPolarHBondContact O-CG 3.33Å; E36-R40 PolarHBondContact O-N 2.95Å; E36-R40 IonicContact OE1-CZ 3.7Å; E36-R40 VanDerWaalsContact OE1-CZ 3.32Å; E36-R40 IonicContact OE1-NE 3.97Å; E36-R40 PolarHBondContact OE1-NE 3.48Å; E36-R40 IonicContact OE1-NH2 3.13Å; E36-R40 PolarHBondContact OE1-NH2 2.88Å
37	F	94.6	Very high	90.2	Very high	115 Å²	115	92.2 Å²	92.2	50%	0.504	41%	0.407	S	S	.	.	H	α-helix	trans	-59.7	-47.5	172.6	175.5	-97.9	0	0	0	111.9	Y33 I34 N35 R40 R41	Y33-F37 PolarHBondContact O-N 3Å; Y33-F37 VanDerWaalsContact O-N 3.17Å; I34-F37 PolarHBondContact O-N 2.98Å; N35-F37 VanDerWaalsContact C-N 3.32Å; N35-F37 PolarHBondContact O-N 3.24Å; F37-R40 PolarHBondContact O-N 3.41Å; F37-R41 WeakPolarHBondContact O-CB 3.4Å; F37-R41 PolarHBondContact O-N 3.07Å
38	Y	93.3	Very high	90	Very high	55 Å²	55	94 Å²	94	22%	0.216	42%	0.417	C	S	.	.	H	α-helix	trans	-63.9	-42.2	178.6	-72.5	-31.8	0	0	0	113	Y25 P26 I34 N35 R41 A42	Y25-Y38 AromaticContact CD1-CD1 3.53Å; Y25-Y38 HydrophobicContact CD1-CD1 3.53Å; Y25-Y38 AromaticContact CD1-CE1 4Å; Y25-Y38 HydrophobicContact CD1-CE1 4Å; Y25-Y38 HydrophobicContact CD1-CG 4.02Å; Y25-Y38 HydrophobicContact CE1-CD1 4.21Å; Y25-Y38 AromaticContact CG-CD1 3.88Å; Y25-Y38 HydrophobicContact CG-CD1 3.88Å; Y25-Y38 AromaticContact CG-CG 3.88Å; Y25-Y38 HydrophobicContact CG-CG 3.88Å; P26-Y38 HydrophobicContact CG-CE2 3.85Å; P26-Y38 WeakPolarHBondContact O-CD2 3.28Å; P26-Y38 WeakPolarHBondContact O-CE2 3.35Å; I34-Y38 HydrophobicContact CB-CE2 4.41Å; I34-Y38 HydrophobicContact CG1-CD2 4.11Å; I34-Y38 HydrophobicContact CG1-CE1 4.36Å; I34-Y38 HydrophobicContact CG1-CE2 3.54Å; I34-Y38 HydrophobicContact CG2-CD2 4.37Å; I34-Y38 HydrophobicContact CG2-CE2 4.11Å; I34-Y38 WeakPolarHBondContact O-CB 3.34Å; I34-Y38 WeakPolarHBondContact O-CD2 3.46Å; I34-Y38 PolarHBondContact O-N 3.31Å; N35-Y38 PolarHBondContact O-N 2.88Å; N35-Y38 VanDerWaalsContact O-N 3.17Å; Y38-R41 PolarHBondContact O-N 2.7Å; Y38-A42 WeakPolarHBondContact O-CB 3.29Å; Y38-A42 PolarHBondContact O-N 2.88Å
39	I	89.2	Confident	89.8	Confident	32 Å²	32	90.1 Å²	90.1	16%	0.164	40%	0.404	C	S	.	.	H	α-helix	trans	-62.4	-45.6	177.1	-69.7	166.2	0	0	0	110.4	F23 I27 N35 E36 A42 K43	F23-I39 HydrophobicContact CD1-CG1 4.43Å; F23-I39 HydrophobicContact CD2-CG1 3.86Å; F23-I39 HydrophobicContact CE1-CG1 4.33Å; F23-I39 HydrophobicContact CE1-CG2 4.03Å; F23-I39 HydrophobicContact CE2-CD1 4.13Å; F23-I39 HydrophobicContact CE2-CG1 3.75Å; F23-I39 HydrophobicContact CG-CG1 4.21Å; F23-I39 HydrophobicContact CZ-CD1 4.49Å; F23-I39 HydrophobicContact CZ-CG1 4Å; F23-I39 HydrophobicContact CZ-CG2 4.07Å; I27-I39 HydrophobicContact CD1-CG1 4.17Å; N35-I39 WeakPolarHBondContact O-CB 3.4Å; N35-I39 WeakPolarHBondContact O-CG1 3.12Å; N35-I39 PolarHBondContact O-N 3.3Å; E36-I39 PolarHBondContact O-N 2.94Å; I39-A42 PolarHBondContact O-N 2.92Å; I39-K43 HydrophobicContact CG2-CD 4.28Å; I39-K43 WeakPolarHBondContact O-CG 3.27Å; I39-K43 PolarHBondContact O-N 3.18Å
40	R	89.8	Confident	89.5	Confident	165 Å²	165	82.7 Å²	82.7	62%	0.623	37%	0.373	S	S	*	.	H	α-helix	trans	-62.9	-42.9	176.3	-73.7	-179.7	-176.8	-121.8	-2.5	111.9	E36 F37 K43 Y44	E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 WeakPolarHBondContact O-CG 3.33Å; E36-R40 PolarHBondContact O-N 2.95Å; E36-R40 IonicContact OE1-CZ 3.7Å; E36-R40 VanDerWaalsContact OE1-CZ 3.32Å; E36-R40 IonicContact OE1-NE 3.97Å; E36-R40 PolarHBondContact OE1-NE 3.48Å; E36-R40 IonicContact OE1-NH2 3.13Å; E36-R40 PolarHBondContact OE1-NH2 2.88Å; F37-R40 PolarHBondContact O-N 3.41Å; R40-K43 PolarHBondContact O-N 3.01Å; R40-Y44 WeakPolarHBondContact O-CB 3.36Å; R40-Y44 PolarHBondContact O-N 3.25Å
41	R	91.3	Very high	88.9	Confident	124 Å²	124	86.4 Å²	86.4	47%	0.468	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-44.6	176.7	-173.4	-179.9	171.5	169.8	-1.6	111.5	Y25 F37 Y38 Y44 V45	Y25-R41 HydrophobicContact CE2-CG 4.45Å; Y25-R41 WeakPolarHBondContact OH-CD 3.24Å; Y25-R41 WeakPolarHBondContact OH-CG 3.24Å; Y25-R41 PolarHBondContact OH-NE 3.18Å; Y25-R41 VanDerWaalsContact OH-NE 3.08Å; F37-R41 WeakPolarHBondContact O-CB 3.4Å; F37-R41 PolarHBondContact O-N 3.07Å; Y38-R41 PolarHBondContact O-N 2.7Å; R41-Y44 PolarHBondContact O-N 2.88Å; R41-V45 WeakPolarHBondContact O-CG2 3.16Å; R41-V45 PolarHBondContact O-N 3.41Å
42	A	88.5	Confident	88.5	Confident	6 Å²	6	89.7 Å²	89.7	5%	0.05	39%	0.394	C	S	.	.	H	α-helix	trans	-57.8	-51.5	175.9	0	0	0	0	0	111.4	F23 Y25 Y38 I39 Y44 V45 D46	F23-A42 HydrophobicContact CB-CB 4.08Å; F23-A42 HydrophobicContact CD1-CB 3.86Å; F23-A42 HydrophobicContact CG-CB 4.42Å; Y25-A42 HydrophobicContact CD2-CB 3.91Å; Y25-A42 HydrophobicContact CE2-CB 3.75Å; Y38-A42 WeakPolarHBondContact O-CB 3.29Å; Y38-A42 PolarHBondContact O-N 2.88Å; I39-A42 PolarHBondContact O-N 2.92Å; A42-Y44 VanDerWaalsContact C-N 3.31Å; A42-Y44 PolarHBondContact O-N 3.21Å; A42-V45 PolarHBondContact O-N 3.36Å; A42-D46 PolarHBondContact O-N 3.34Å
43	K	85.3	Confident	87.9	Confident	100 Å²	100	87.5 Å²	87.5	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-56.9	-42.9	176.8	-75.3	175	178	179.8	0	112.6	I39 R40 T47 I60	I39-K43 HydrophobicContact CG2-CD 4.28Å; I39-K43 WeakPolarHBondContact O-CG 3.27Å; I39-K43 PolarHBondContact O-N 3.18Å; R40-K43 PolarHBondContact O-N 3.01Å; K43-T47 WeakPolarHBondContact O-CB 3.36Å; K43-T47 PolarHBondContact O-N 3.45Å; K43-T47 PolarHBondContact O-OG1 3.02Å; K43-I60 HydrophobicContact CG-CD1 3.97Å; K43-I60 HydrophobicContact CG-CG2 4.24Å
44	Y	87.7	Confident	86.8	Confident	151 Å²	151	89 Å²	89	59%	0.592	40%	0.404	S	S	*	.	H	α-helix	trans	-66.5	-46.1	179.6	-174.8	-106.5	0	0	0	112	R40 R41 A42 D46 T47 L48	R40-Y44 WeakPolarHBondContact O-CB 3.36Å; R40-Y44 PolarHBondContact O-N 3.25Å; R41-Y44 PolarHBondContact O-N 2.88Å; A42-Y44 VanDerWaalsContact C-N 3.31Å; A42-Y44 PolarHBondContact O-N 3.21Å; Y44-D46 VanDerWaalsContact C-N 3.32Å; Y44-D46 PolarHBondContact O-N 3.35Å; Y44-T47 PolarHBondContact O-N 3.02Å; Y44-L48 HydrophobicContact CD1-CD1 3.86Å; Y44-L48 HydrophobicContact CD1-CG 4.45Å; Y44-L48 HydrophobicContact CE1-CD1 3.4Å; Y44-L48 HydrophobicContact CE1-CG 4.11Å; Y44-L48 WeakPolarHBondContact O-CG 3.1Å; Y44-L48 PolarHBondContact O-N 3.41Å
45	V	87.2	Confident	85.5	Confident	48 Å²	48	89.8 Å²	89.8	29%	0.291	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-42.9	176.8	169.2	0	0	0	0	111.1	R41 A42 L48 K49	R41-V45 WeakPolarHBondContact O-CG2 3.16Å; R41-V45 PolarHBondContact O-N 3.41Å; A42-V45 PolarHBondContact O-N 3.36Å; V45-L48 PolarHBondContact O-N 3.15Å; V45-K49 HydrophobicContact CG1-CD 4.19Å; V45-K49 HydrophobicContact CG1-CG 4.46Å; V45-K49 WeakPolarHBondContact O-CG 3.37Å; V45-K49 PolarHBondContact O-N 2.83Å
46	D	83.7	Confident	84	Confident	11 Å²	11	95.8 Å²	95.8	6%	0.059	44%	0.436	C	S	.	.	H	α-helix	trans	-63.6	-41.8	177.1	-103.6	20.3	0	0	0	112.5	A42 Y44 L48 K49 T50 Y55 S58 I60	A42-D46 PolarHBondContact O-N 3.34Å; Y44-D46 VanDerWaalsContact C-N 3.32Å; Y44-D46 PolarHBondContact O-N 3.35Å; D46-L48 VanDerWaalsContact C-N 3.29Å; D46-L48 PolarHBondContact O-N 3.3Å; D46-K49 PolarHBondContact O-N 2.95Å; D46-T50 WeakPolarHBondContact O-CG2 3.41Å; D46-T50 PolarHBondContact O-N 3.35Å; D46-T50 PolarHBondContact O-OG1 2.89Å; D46-Y55 WeakPolarHBondContact OD1-CE1 3.26Å; D46-Y55 PolarHBondContact OD1-OH 2.74Å; D46-S58 WeakPolarHBondContact OD2-CA 3.44Å; D46-S58 WeakPolarHBondContact OD2-CB 3.45Å; D46-S58 PolarHBondContact OD2-N 3.36Å; D46-S58 PolarHBondContact OD2-OG 3.14Å; D46-I60 HydrophobicContact CB-CD1 4.38Å
47	T	83.2	Confident	82.5	Confident	64 Å²	64	96.8 Å²	96.8	39%	0.393	45%	0.448	S	S	.	.	H	α-helix	trans	-62	-37.6	175.1	-56.9	0	0	0	0	111.9	K43 Y44 T50 R51	K43-T47 WeakPolarHBondContact O-CB 3.36Å; K43-T47 PolarHBondContact O-N 3.45Å; K43-T47 PolarHBondContact O-OG1 3.02Å; Y44-T47 PolarHBondContact O-N 3.02Å; T47-T50 WeakPolarHBondContact CA-OG1 3.46Å; T47-T50 PolarHBondContact O-OG1 2.92Å; T47-R51 WeakPolarHBondContact O-CG 3.26Å; T47-R51 PolarHBondContact O-N 2.88Å
48	L	85.6	Confident	80.7	Confident	66 Å²	66	92.9 Å²	92.9	35%	0.346	44%	0.435	S	S	.	.	H	α-helix	trans	-67.7	-43.5	174.5	-73	175.7	0	0	0	111.5	Y44 V45 D46 T50 R51 L52	Y44-L48 HydrophobicContact CD1-CD1 3.86Å; Y44-L48 HydrophobicContact CD1-CG 4.45Å; Y44-L48 HydrophobicContact CE1-CD1 3.4Å; Y44-L48 HydrophobicContact CE1-CG 4.11Å; Y44-L48 WeakPolarHBondContact O-CG 3.1Å; Y44-L48 PolarHBondContact O-N 3.41Å; V45-L48 PolarHBondContact O-N 3.15Å; D46-L48 VanDerWaalsContact C-N 3.29Å; D46-L48 PolarHBondContact O-N 3.3Å; L48-T50 PolarHBondContact O-N 2.9Å; L48-R51 PolarHBondContact O-N 3.4Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.82Å
49	K	85.1	Confident	78.8	Confident	67 Å²	67	95.8 Å²	95.8	29%	0.291	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-41.5	178.8	-73.8	176.1	179.5	174.2	0	112.3	V45 D46 R51 L52 N53 Y55	V45-K49 HydrophobicContact CG1-CD 4.19Å; V45-K49 HydrophobicContact CG1-CG 4.46Å; V45-K49 WeakPolarHBondContact O-CG 3.37Å; V45-K49 PolarHBondContact O-N 2.83Å; D46-K49 PolarHBondContact O-N 2.95Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.12Å; K49-L52 PolarHBondContact O-N 3.38Å; K49-N53 PolarHBondContact O-N 2.94Å; K49-N53 VanDerWaalsContact O-O 3.13Å; K49-Y55 HydrophobicContact CB-CD1 3.56Å; K49-Y55 HydrophobicContact CB-CD2 4.27Å; K49-Y55 HydrophobicContact CB-CE1 3.83Å; K49-Y55 HydrophobicContact CB-CG 3.79Å; K49-Y55 HydrophobicContact CD-CD1 4.36Å; K49-Y55 HydrophobicContact CD-CD2 4.33Å; K49-Y55 HydrophobicContact CD-CE1 3.85Å; K49-Y55 HydrophobicContact CD-CE2 3.83Å
50	T	80	Confident	77.1	Confident	53 Å²	53	96.9 Å²	96.9	33%	0.325	46%	0.459	S	S	.	.	H	α-helix	trans	-66.8	-30.1	176.8	52.9	0	0	0	0	113.2	D46 T47 L48 N53 Y55 P57	D46-T50 WeakPolarHBondContact O-CG2 3.41Å; D46-T50 PolarHBondContact O-N 3.35Å; D46-T50 PolarHBondContact O-OG1 2.89Å; T47-T50 WeakPolarHBondContact CA-OG1 3.46Å; T47-T50 PolarHBondContact O-OG1 2.92Å; L48-T50 PolarHBondContact O-N 2.9Å; T50-N53 CarbonylContact C-O 3.52Å; T50-N53 VanDerWaalsContact O-O 3.04Å; T50-Y55 HydrophobicContact CG2-CD1 3.83Å; T50-P57 HydrophobicContact CG2-CB 3.92Å; T50-P57 HydrophobicContact CG2-CG 4.16Å
51	R	79.9	Confident	75.5	Confident	200 Å²	200	91.6 Å²	91.6	76%	0.755	46%	0.456	S	S	*	.	H	α-helix	trans	-77	-37.6	175.5	-73.5	-179.9	-177.2	-169.8	1.4	113.1	T47 L48 K49	T47-R51 WeakPolarHBondContact O-CG 3.26Å; T47-R51 PolarHBondContact O-N 2.88Å; L48-R51 PolarHBondContact O-N 3.4Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.12Å
52	L	85.2	Confident	73.9	Confident	135 Å²	135	89.4 Å²	89.4	71%	0.707	46%	0.46	S	S	*	.	H	α-helix	trans	-84	-32.7	-175.6	-67.9	172.2	0	0	0	112.6	L48 K49	L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.82Å; K49-L52 PolarHBondContact O-N 3.38Å
53	N	80.2	Confident	72.9	Confident	114 Å²	114	92.3 Å²	92.3	61%	0.61	48%	0.478	S	S	*	.	S	Bend	trans	-135.2	160.5	-174.7	-65	-49.6	0	0	0	110.8	K49 T50 Y55	K49-N53 PolarHBondContact O-N 2.94Å; K49-N53 VanDerWaalsContact O-O 3.13Å; T50-N53 CarbonylContact C-O 3.52Å; T50-N53 VanDerWaalsContact O-O 3.04Å; N53-Y55 PolarHBondContact O-N 3.28Å
54	K	72.3	Confident	72.2	Confident	228 Å²	228	90.2 Å²	90.2	99%	0.991	47%	0.473	S	S	*	.	S	Bend	trans	-71.7	73.3	167.5	-148	177.4	-170.5	179.1	0	109.1
55	Y	68.3	Low	71.9	Confident	71 Å²	71	89.7 Å²	89.7	28%	0.278	47%	0.474	S	S	.	.			trans	-106.3	131.7	-174.2	178.5	-102.6	0	0	0	109.1	D46 K49 T50 N53 P57	D46-Y55 WeakPolarHBondContact OD1-CE1 3.26Å; D46-Y55 PolarHBondContact OD1-OH 2.74Å; K49-Y55 HydrophobicContact CB-CD1 3.56Å; K49-Y55 HydrophobicContact CB-CD2 4.27Å; K49-Y55 HydrophobicContact CB-CE1 3.83Å; K49-Y55 HydrophobicContact CB-CG 3.79Å; K49-Y55 HydrophobicContact CD-CD1 4.36Å; K49-Y55 HydrophobicContact CD-CD2 4.33Å; K49-Y55 HydrophobicContact CD-CE1 3.85Å; K49-Y55 HydrophobicContact CD-CE2 3.83Å; T50-Y55 HydrophobicContact CG2-CD1 3.83Å; N53-Y55 PolarHBondContact O-N 3.28Å; Y55-P57 WeakPolarHBondContact O-CD 3.44Å
56	N	61.4	Low	71.8	Confident	147 Å²	147	91.3 Å²	91.3	79%	0.786	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-78.1	118.2	167.2	-75.4	-26.2	0	0	0	107.2
57	P	60.8	Low	72.1	Confident	81 Å²	81	94.8 Å²	94.8	53%	0.526	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-55.9	149.2	175.4	24.1	-31	0	0	0	109.6	T50 Y55	T50-P57 HydrophobicContact CG2-CB 3.92Å; T50-P57 HydrophobicContact CG2-CG 4.16Å; Y55-P57 WeakPolarHBondContact O-CD 3.44Å
58	S	57.5	Low	72.4	Confident	32 Å²	32	94.6 Å²	94.6	22%	0.224	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-55.6	159.2	170.4	60.3	0	0	0	0	109.7	D46 I60	D46-S58 WeakPolarHBondContact OD2-CA 3.44Å; D46-S58 WeakPolarHBondContact OD2-CB 3.45Å; D46-S58 PolarHBondContact OD2-N 3.36Å; D46-S58 PolarHBondContact OD2-OG 3.14Å; S58-I60 PolarHBondContact O-N 3.16Å; S58-I60 VanDerWaalsContact OG-CD1 3.26Å; S58-I60 WeakPolarHBondContact OG-CD1 3.47Å; S58-I60 WeakPolarHBondContact OG-CG1 3.09Å
59	L	53.2	Low	72.8	Confident	117 Å²	117	92 Å²	92	61%	0.613	49%	0.489	S	S	*	.	S	Bend	trans	-65.1	39.8	-179.4	-81.7	158.2	0	0	0	112.9	K16 G61	K16-L59 HydrophobicContact CD-CD1 4.3Å; L59-G61 PolarHBondContact O-N 3.11Å
60	I	54.1	Low	73.1	Confident	55 Å²	55	91.3 Å²	91.3	28%	0.282	49%	0.486	S	S	.	.			trans	-66.6	77.3	160.3	-55.2	167.5	0	0	0	104.8	F23 K43 D46 S58 S62	F23-I60 HydrophobicContact CE1-CG1 4.28Å; K43-I60 HydrophobicContact CG-CD1 3.97Å; K43-I60 HydrophobicContact CG-CG2 4.24Å; D46-I60 HydrophobicContact CB-CD1 4.38Å; S58-I60 PolarHBondContact O-N 3.16Å; S58-I60 VanDerWaalsContact OG-CD1 3.26Å; S58-I60 WeakPolarHBondContact OG-CD1 3.47Å; S58-I60 WeakPolarHBondContact OG-CG1 3.09Å; I60-S62 PolarHBondContact O-N 3.19Å
61	G	54.3	Low	73.6	Confident	53 Å²	53	90 Å²	90	55%	0.546	48%	0.476	S	S	.	.			trans	-55.3	127.9	-170.9	0	0	0	0	0	109.4	L59 P63	L59-G61 PolarHBondContact O-N 3.11Å; G61-P63 WeakPolarHBondContact O-CD 3.44Å
62	S	58.4	Low	74	Confident	79 Å²	79	83.8 Å²	83.8	55%	0.552	46%	0.456	S	S	*	.			trans	-42.7	119.6	147.9	-85	0	0	0	0	105.6	I60 V64	I60-S62 PolarHBondContact O-N 3.19Å; S62-V64 WeakPolarHBondContact O-CG1 3.36Å; S62-V64 PolarHBondContact O-N 3.03Å
63	P	66.9	Low	74	Confident	67 Å²	67	79.2 Å²	79.2	44%	0.435	43%	0.434	S	S	.	.			trans	-70.6	94.4	-170.7	10.5	-5.3	0	0	0	106.9	G61 F65 L66	G61-P63 WeakPolarHBondContact O-CD 3.44Å; P63-F65 PolarHBondContact O-N 3.5Å; P63-L66 HydrophobicContact CB-CD1 4.31Å; P63-L66 HydrophobicContact CB-CD2 4.42Å; P63-L66 HydrophobicContact CB-CG 3.82Å; P63-L66 HydrophobicContact CG-CD1 3.62Å; P63-L66 HydrophobicContact CG-CD2 4.31Å; P63-L66 HydrophobicContact CG-CG 3.68Å; P63-L66 WeakPolarHBondContact O-CB 3.21Å; P63-L66 WeakPolarHBondContact O-CG 3.47Å; P63-L66 PolarHBondContact O-N 3.05Å
64	V	72.3	Confident	73.8	Confident	56 Å²	56	80.2 Å²	80.2	34%	0.339	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.8	-176.1	-68.8	0	0	0	0	111.6	S62 S82 G83	S62-V64 WeakPolarHBondContact O-CG1 3.36Å; S62-V64 PolarHBondContact O-N 3.03Å; V64-S82 PolarHBondContact O-N 2.69Å; V64-S82 PolarHBondContact O-OG 3.39Å; V64-G83 PolarHBondContact O-N 3.47Å
65	F	80.3	Confident	74.2	Confident	139 Å²	139	70.8 Å²	70.8	61%	0.61	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.2	177	-47.4	-69.1	0	0	0	114	L6 P63	L6-F65 HydrophobicContact CD1-CE2 4.48Å; L6-F65 HydrophobicContact CD1-CZ 3.84Å; P63-F65 PolarHBondContact O-N 3.5Å
66	L	84.7	Confident	75.2	Confident	83 Å²	83	70.4 Å²	70.4	44%	0.435	41%	0.41	S	S	.	.	S	Bend	trans	-64.5	143.6	173.1	-72.6	-177	0	0	0	110.7	P63 T68 F81 G83	P63-L66 HydrophobicContact CB-CD1 4.31Å; P63-L66 HydrophobicContact CB-CD2 4.42Å; P63-L66 HydrophobicContact CB-CG 3.82Å; P63-L66 HydrophobicContact CG-CD1 3.62Å; P63-L66 HydrophobicContact CG-CD2 4.31Å; P63-L66 HydrophobicContact CG-CG 3.68Å; P63-L66 WeakPolarHBondContact O-CB 3.21Å; P63-L66 WeakPolarHBondContact O-CG 3.47Å; P63-L66 PolarHBondContact O-N 3.05Å; L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 HydrophobicContact CB-CG2 4.12Å; L66-T68 HydrophobicContact CD1-CG2 4.46Å; L66-T68 PolarHBondContact O-N 3.35Å; L66-T68 VanDerWaalsContact O-N 3.17Å; L66-F81 HydrophobicContact CB-CD2 3.62Å; L66-F81 HydrophobicContact CB-CE2 4.08Å; L66-F81 HydrophobicContact CD1-CD2 4.34Å; L66-F81 HydrophobicContact CD1-CE2 3.95Å; L66-F81 HydrophobicContact CG-CD2 4.49Å; L66-F81 WeakPolarHBondContact O-CB 3.34Å; L66-G83 WeakPolarHBondContact O-CA 3.45Å
67	V	89.9	Confident	76.6	Confident	84 Å²	84	70.8 Å²	70.8	51%	0.509	40%	0.4	S	S	.	.	S	Bend	trans	-90.2	68.2	177.1	-169.2	0	0	0	0	108.7	L84 F89	V67-L84 HydrophobicContact CG1-CD1 3.56Å; V67-F89 HydrophobicContact CG1-CE2 4.26Å
68	T	90.5	Very high	78	Confident	59 Å²	59	70.1 Å²	70.1	36%	0.362	39%	0.391	S	S	.	.			trans	-150.3	158.1	178.9	-164	0	0	0	0	112.3	L66 F70 F81	L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 HydrophobicContact CB-CG2 4.12Å; L66-T68 HydrophobicContact CD1-CG2 4.46Å; L66-T68 PolarHBondContact O-N 3.35Å; L66-T68 VanDerWaalsContact O-N 3.17Å; T68-F70 HydrophobicContact CG2-CD1 4.41Å; T68-F81 HydrophobicContact CG2-CD2 3.54Å; T68-F81 HydrophobicContact CG2-CE2 3.88Å; T68-F81 WeakPolarHBondContact O-CB 3.31Å; T68-F81 PolarHBondContact O-N 3.41Å
69	A	92.9	Very high	79.5	Confident	11 Å²	11	72.7 Å²	72.7	9%	0.091	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	159.6	160.7	0	0	0	0	0	108.7	Y79 L80 L84 I106 E110	A69-Y79 CarbonylContact C-O 3.25Å; A69-Y79 VanDerWaalsContact CA-O 3.23Å; A69-Y79 WeakPolarHBondContact CA-O 3.37Å; A69-L80 HydrophobicContact CB-CD1 4.05Å; A69-L84 HydrophobicContact CB-CD2 4.05Å; A69-I106 HydrophobicContact CB-CG2 3.61Å; A69-E110 HydrophobicContact CB-CG 3.85Å
70	F	91.7	Very high	81.3	Confident	53 Å²	53	69.8 Å²	69.8	23%	0.232	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	149.8	170.9	58.4	-85.1	0	0	0	111.3	T68 I72 M78 Y79 F81 E110	T68-F70 HydrophobicContact CG2-CD1 4.41Å; F70-I72 HydrophobicContact CD2-CD1 4.2Å; F70-I72 HydrophobicContact CD2-CG1 3.7Å; F70-I72 HydrophobicContact CE2-CD1 3.63Å; F70-I72 HydrophobicContact CE2-CG1 3.66Å; F70-M78 CarbonylContact O-C 3.51Å; F70-M78 WeakPolarHBondContact O-CA 3.46Å; F70-Y79 AromaticContact CD2-CD2 3.93Å; F70-Y79 HydrophobicContact CD2-CD2 3.93Å; F70-Y79 HydrophobicContact CD2-CG 4.48Å; F70-Y79 HydrophobicContact CE1-CG 4.37Å; F70-Y79 AromaticContact CE2-CD2 3.25Å; F70-Y79 HydrophobicContact CE2-CD2 3.25Å; F70-Y79 HydrophobicContact CE2-CE2 4.02Å; F70-Y79 AromaticContact CE2-CG 3.68Å; F70-Y79 HydrophobicContact CE2-CG 3.68Å; F70-Y79 VanDerWaalsContact CZ-CB 3.47Å; F70-Y79 HydrophobicContact CZ-CD1 4.46Å; F70-Y79 AromaticContact CZ-CD2 3.73Å; F70-Y79 HydrophobicContact CZ-CD2 3.73Å; F70-Y79 AromaticContact CZ-CG 3.63Å; F70-Y79 HydrophobicContact CZ-CG 3.63Å; F70-Y79 PolarHBondContact N-O 2.78Å; F70-Y79 PolarHBondContact O-N 3.16Å; F70-F81 HydrophobicContact CD1-CE2 4.5Å; F70-F81 HydrophobicContact CE1-CD2 4.36Å; F70-F81 AromaticContact CE1-CE1 3.98Å; F70-F81 HydrophobicContact CE1-CE1 3.98Å; F70-F81 AromaticContact CE1-CE2 3.64Å; F70-F81 HydrophobicContact CE1-CE2 3.64Å; F70-F81 AromaticContact CE1-CZ 3.44Å; F70-F81 HydrophobicContact CE1-CZ 3.44Å; F70-F81 VanDerWaalsContact CE1-CZ 3.44Å; F70-F81 HydrophobicContact CZ-CE1 4.3Å; F70-F81 AromaticContact CZ-CZ 3.89Å; F70-F81 HydrophobicContact CZ-CZ 3.89Å; F70-E110 VanDerWaalsContact C-OE2 3.28Å; F70-E110 VanDerWaalsContact CA-OE2 3.26Å; F70-E110 WeakPolarHBondContact CA-OE2 3.25Å
71	Y	91.1	Very high	83	Confident	27 Å²	27	68.1 Å²	68.1	11%	0.106	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135	167.8	175.5	-102.7	0	0	0	111.5	T73 N76 E110 R113 A114	Y71-T73 HydrophobicContact CE1-CG2 4.48Å; Y71-N76 PolarHBondContact OH-OD1 3.2Å; Y71-E110 PolarHBondContact N-OE2 2.99Å; Y71-R113 HydrophobicContact CD1-CB 3.83Å; Y71-R113 HydrophobicContact CG-CB 4.14Å; Y71-A114 HydrophobicContact CD2-CB 4.39Å; Y71-A114 HydrophobicContact CE1-CB 4.19Å; Y71-A114 HydrophobicContact CE2-CB 3.68Å
72	I	87.6	Confident	84.7	Confident	68 Å²	68	68.4 Å²	68.4	35%	0.349	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.8	169.4	-62.4	-172.9	0	0	0	109.2	F70 D74 N76 R77 Y79	F70-I72 HydrophobicContact CD2-CD1 4.2Å; F70-I72 HydrophobicContact CD2-CG1 3.7Å; F70-I72 HydrophobicContact CE2-CD1 3.63Å; F70-I72 HydrophobicContact CE2-CG1 3.66Å; I72-D74 HydrophobicContact CG2-CB 4.1Å; I72-N76 PolarHBondContact O-N 3.16Å; I72-N76 VanDerWaalsContact O-N 3.14Å; I72-R77 PolarHBondContact N-O 3.47Å; I72-R77 PolarHBondContact O-N 3.04Å; I72-Y79 HydrophobicContact CB-CE2 4.37Å; I72-Y79 HydrophobicContact CD1-CD2 4.28Å; I72-Y79 HydrophobicContact CD1-CE2 3.78Å; I72-Y79 HydrophobicContact CG1-CD2 4.27Å; I72-Y79 HydrophobicContact CG1-CE2 4.02Å
73	T	85.1	Confident	86.2	Confident	40 Å²	40	65.1 Å²	65.1	25%	0.245	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-65.6	-44	177.5	-45.3	0	0	0	0	112.7	Y71 G75 N76 F122 S126	Y71-T73 HydrophobicContact CE1-CG2 4.48Å; T73-G75 PolarHBondContact O-N 3.38Å; T73-N76 PolarHBondContact O-N 3.49Å; T73-N76 VanDerWaalsContact O-N 3.15Å; T73-F122 HydrophobicContact CG2-CB 4.03Å; T73-F122 HydrophobicContact CG2-CD1 3.77Å; T73-F122 HydrophobicContact CG2-CD2 3.23Å; T73-F122 HydrophobicContact CG2-CE1 3.96Å; T73-F122 HydrophobicContact CG2-CE2 3.48Å; T73-F122 VanDerWaalsContact CG2-CE2 3.48Å; T73-F122 HydrophobicContact CG2-CG 3.39Å; T73-F122 HydrophobicContact CG2-CZ 3.83Å; T73-S126 WeakPolarHBondContact O-CB 3.37Å; T73-S126 PolarHBondContact O-OG 3.27Å
74	D	76.3	Confident	87.4	Confident	135 Å²	135	62.2 Å²	62.2	72%	0.722	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-62.9	-13.4	-177.5	-67.5	-7.5	0	0	0	114.6	I72 S126	I72-D74 HydrophobicContact CG2-CB 4.1Å; D74-S126 VanDerWaalsContact C-CB 3.49Å; D74-S126 VanDerWaalsContact O-CB 3.27Å; D74-S126 WeakPolarHBondContact O-CB 2.99Å; D74-S126 PolarHBondContact O-OG 3.21Å
75	G	81.1	Confident	88.4	Confident	29 Å²	29	63.3 Å²	63.3	30%	0.299	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-125.5	2.9	177	0	0	0	0	0	114.2	T73 R77 S126	T73-G75 PolarHBondContact O-N 3.38Å; G75-R77 WeakPolarHBondContact O-CG 3.44Å; G75-R77 PolarHBondContact O-N 2.85Å; G75-S126 VanDerWaalsContact C-OG 3.23Å; G75-S126 WeakPolarHBondContact CA-OG 3.48Å; G75-S126 PolarHBondContact N-OG 2.99Å
76	N	88.6	Confident	89	Confident	64 Å²	64	61.3 Å²	61.3	34%	0.342	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.1	51.6	-170.6	-173.1	20.5	0	0	0	111.9	Y71 I72 T73 E124 S126	Y71-N76 PolarHBondContact OH-OD1 3.2Å; I72-N76 PolarHBondContact O-N 3.16Å; I72-N76 VanDerWaalsContact O-N 3.14Å; T73-N76 PolarHBondContact O-N 3.49Å; T73-N76 VanDerWaalsContact O-N 3.15Å; N76-E124 PolarHBondContact ND2-O 2.95Å; N76-E124 VanDerWaalsContact ND2-O 3.08Å; N76-S126 PolarHBondContact N-OG 3.24Å; N76-S126 VanDerWaalsContact N-OG 3.07Å
77	R	90.7	Very high	89.5	Confident	155 Å²	155	61.5 Å²	61.5	59%	0.585	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.2	-171.9	-82.3	165.9	-161.9	-157.2	3.9	111.1	I72 G75 Y79	I72-R77 PolarHBondContact N-O 3.47Å; I72-R77 PolarHBondContact O-N 3.04Å; G75-R77 WeakPolarHBondContact O-CG 3.44Å; G75-R77 PolarHBondContact O-N 2.85Å; R77-Y79 HydrophobicContact CB-CD2 4.47Å; R77-Y79 HydrophobicContact CB-CE2 3.76Å
78	M	90.3	Very high	89.7	Confident	67 Å²	67	60.9 Å²	60.9	33%	0.33	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.6	162.5	176.5	-170.4	68	0	0	109.5	F70 I107 E110	F70-M78 CarbonylContact O-C 3.51Å; F70-M78 WeakPolarHBondContact O-CA 3.46Å; M78-I107 HydrophobicContact CE-CG1 4.46Å; M78-I107 HydrophobicContact CE-CG2 3.99Å; M78-I107 HydrophobicContact SD-CB 4.49Å; M78-I107 HydrophobicContact SD-CG2 4.21Å; M78-E110 HydrophobicContact CB-CB 4.3Å; M78-E110 HydrophobicContact CG-CB 3.54Å; M78-E110 HydrophobicContact CG-CG 4.05Å; M78-E110 HydrophobicContact SD-CB 3.52Å; M78-E110 VanDerWaalsContact SD-CB 3.52Å; M78-E110 HydrophobicContact SD-CG 4.14Å
79	Y	89.9	Confident	89.9	Confident	85 Å²	85	59.7 Å²	59.7	33%	0.333	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.6	170.4	-64.3	-92.3	0	0	0	109	A69 F70 I72 R77	A69-Y79 CarbonylContact C-O 3.25Å; A69-Y79 VanDerWaalsContact CA-O 3.23Å; A69-Y79 WeakPolarHBondContact CA-O 3.37Å; F70-Y79 AromaticContact CD2-CD2 3.93Å; F70-Y79 HydrophobicContact CD2-CD2 3.93Å; F70-Y79 HydrophobicContact CD2-CG 4.48Å; F70-Y79 HydrophobicContact CE1-CG 4.37Å; F70-Y79 AromaticContact CE2-CD2 3.25Å; F70-Y79 HydrophobicContact CE2-CD2 3.25Å; F70-Y79 HydrophobicContact CE2-CE2 4.02Å; F70-Y79 AromaticContact CE2-CG 3.68Å; F70-Y79 HydrophobicContact CE2-CG 3.68Å; F70-Y79 VanDerWaalsContact CZ-CB 3.47Å; F70-Y79 HydrophobicContact CZ-CD1 4.46Å; F70-Y79 AromaticContact CZ-CD2 3.73Å; F70-Y79 HydrophobicContact CZ-CD2 3.73Å; F70-Y79 AromaticContact CZ-CG 3.63Å; F70-Y79 HydrophobicContact CZ-CG 3.63Å; F70-Y79 PolarHBondContact N-O 2.78Å; F70-Y79 PolarHBondContact O-N 3.16Å; I72-Y79 HydrophobicContact CB-CE2 4.37Å; I72-Y79 HydrophobicContact CD1-CD2 4.28Å; I72-Y79 HydrophobicContact CD1-CE2 3.78Å; I72-Y79 HydrophobicContact CG1-CD2 4.27Å; I72-Y79 HydrophobicContact CG1-CE2 4.02Å; R77-Y79 HydrophobicContact CB-CD2 4.47Å; R77-Y79 HydrophobicContact CB-CE2 3.76Å
80	L	90.2	Very high	90	Very high	56 Å²	56	63.3 Å²	63.3	29%	0.293	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.3	171.9	179.4	65.6	0	0	0	107.5	A69 L84 L85 L103 I107	A69-L80 HydrophobicContact CB-CD1 4.05Å; L80-L84 HydrophobicContact CD1-CB 4.04Å; L80-L84 HydrophobicContact CD1-CD2 3.32Å; L80-L84 HydrophobicContact CD1-CG 4.17Å; L80-L85 HydrophobicContact CD2-CD2 3.77Å; L80-L85 HydrophobicContact CG-CD2 4.35Å; L80-L103 HydrophobicContact CD1-CD1 3.97Å; L80-L103 HydrophobicContact CD2-CD1 4.1Å; L80-I107 HydrophobicContact CD2-CD1 4.3Å; L80-I107 HydrophobicContact CD2-CG1 4.41Å
81	F	90.1	Very high	90.1	Very high	20 Å²	20	65.7 Å²	65.7	9%	0.088	34%	0.335	C	S	.	.			trans	-79.9	147.5	-180	-70.8	-25.3	0	0	0	112	L66 T68 F70 G83 L84	L66-F81 HydrophobicContact CB-CD2 3.62Å; L66-F81 HydrophobicContact CB-CE2 4.08Å; L66-F81 HydrophobicContact CD1-CD2 4.34Å; L66-F81 HydrophobicContact CD1-CE2 3.95Å; L66-F81 HydrophobicContact CG-CD2 4.49Å; L66-F81 WeakPolarHBondContact O-CB 3.34Å; T68-F81 HydrophobicContact CG2-CD2 3.54Å; T68-F81 HydrophobicContact CG2-CE2 3.88Å; T68-F81 WeakPolarHBondContact O-CB 3.31Å; T68-F81 PolarHBondContact O-N 3.41Å; F70-F81 HydrophobicContact CD1-CE2 4.5Å; F70-F81 HydrophobicContact CE1-CD2 4.36Å; F70-F81 AromaticContact CE1-CE1 3.98Å; F70-F81 HydrophobicContact CE1-CE1 3.98Å; F70-F81 AromaticContact CE1-CE2 3.64Å; F70-F81 HydrophobicContact CE1-CE2 3.64Å; F70-F81 AromaticContact CE1-CZ 3.44Å; F70-F81 HydrophobicContact CE1-CZ 3.44Å; F70-F81 VanDerWaalsContact CE1-CZ 3.44Å; F70-F81 HydrophobicContact CZ-CE1 4.3Å; F70-F81 AromaticContact CZ-CZ 3.89Å; F70-F81 HydrophobicContact CZ-CZ 3.89Å; F81-G83 PolarHBondContact O-N 3.46Å; F81-L84 WeakPolarHBondContact O-CB 3.32Å; F81-L84 PolarHBondContact O-N 3.02Å
82	S	90	Very high	90.1	Very high	60 Å²	60	71.8 Å²	71.8	42%	0.42	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-62	-26.7	-176.8	66.4	0	0	0	0	112.8	V64 L84 L85	V64-S82 PolarHBondContact O-N 2.69Å; V64-S82 PolarHBondContact O-OG 3.39Å; S82-L84 PolarHBondContact O-N 3.31Å; S82-L84 VanDerWaalsContact O-N 3.16Å; S82-L85 WeakPolarHBondContact O-CB 3.48Å; S82-L85 PolarHBondContact O-N 3.28Å
83	G	90.2	Very high	90.4	Very high	9 Å²	9	75.7 Å²	75.7	9%	0.093	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.7	172.5	0	0	0	0	0	114.1	V64 L66 F81 Q86	V64-G83 PolarHBondContact O-N 3.47Å; L66-G83 WeakPolarHBondContact O-CA 3.45Å; F81-G83 PolarHBondContact O-N 3.46Å; G83-Q86 WeakPolarHBondContact O-CG 3.2Å; G83-Q86 PolarHBondContact O-NE2 2.91Å
84	L	91.7	Very high	90.8	Very high	6 Å²	6	74.3 Å²	74.3	3%	0.031	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-86	-15.1	174.9	-157.3	64.2	0	0	0	113.1	V67 A69 L80 F81 S82 Q86 F89 L103 I106	V67-L84 HydrophobicContact CG1-CD1 3.56Å; A69-L84 HydrophobicContact CB-CD2 4.05Å; L80-L84 HydrophobicContact CD1-CB 4.04Å; L80-L84 HydrophobicContact CD1-CD2 3.32Å; L80-L84 HydrophobicContact CD1-CG 4.17Å; F81-L84 WeakPolarHBondContact O-CB 3.32Å; F81-L84 PolarHBondContact O-N 3.02Å; S82-L84 PolarHBondContact O-N 3.31Å; S82-L84 VanDerWaalsContact O-N 3.16Å; L84-Q86 PolarHBondContact O-N 3.45Å; L84-F89 HydrophobicContact CD1-CD2 3.73Å; L84-F89 HydrophobicContact CD1-CE2 3.83Å; L84-F89 HydrophobicContact CD1-CG 4.18Å; L84-F89 HydrophobicContact CD1-CZ 4.37Å; L84-F89 HydrophobicContact CG-CD2 4.39Å; L84-F89 WeakPolarHBondContact O-CB 3.48Å; L84-L103 HydrophobicContact CD2-CD1 4.42Å; L84-I106 HydrophobicContact CD1-CD1 4.15Å; L84-I106 HydrophobicContact CD2-CD1 3.81Å; L84-I106 HydrophobicContact CD2-CG2 3.76Å; L84-I106 HydrophobicContact CG-CD1 4.22Å
85	L	92.9	Very high	91.7	Very high	80 Å²	80	70.1 Å²	70.1	42%	0.419	36%	0.36	S	S	.	.	S	Bend	trans	-85.2	47.4	-175.4	-60.5	179.8	0	0	0	112.8	L80 S82 L103	L80-L85 HydrophobicContact CD2-CD2 3.77Å; L80-L85 HydrophobicContact CG-CD2 4.35Å; S82-L85 WeakPolarHBondContact O-CB 3.48Å; S82-L85 PolarHBondContact O-N 3.28Å; L85-L103 HydrophobicContact CD2-CD1 4.49Å; L85-L103 HydrophobicContact CD2-CD2 3.87Å
86	Q	93.7	Very high	92.4	Very high	97 Å²	97	71 Å²	71	45%	0.453	36%	0.357	S	S	.	.	S	Bend	trans	-142.3	165.5	-178.7	61.9	-179	-23.2	0	0	111.2	G83 L84 F89 Y90	G83-Q86 WeakPolarHBondContact O-CG 3.2Å; G83-Q86 PolarHBondContact O-NE2 2.91Å; L84-Q86 PolarHBondContact O-N 3.45Å; Q86-F89 PolarHBondContact O-N 3.01Å; Q86-Y90 CarbonylContact C-O 3.59Å; Q86-Y90 VanDerWaalsContact CA-O 3.27Å; Q86-Y90 WeakPolarHBondContact CA-O 3.49Å; Q86-Y90 PolarHBondContact O-N 3.29Å
87	P	94.6	Very high	92.8	Very high	86 Å²	86	68 Å²	68	56%	0.558	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	143.9	174.2	-26.2	34.5	0	0	0	112.3	Y90 Y91	P87-Y90 WeakPolarHBondContact CD-O 3.24Å; P87-Y90 VanDerWaalsContact N-O 3.08Å; P87-Y91 HydrophobicContact CB-CD1 4.38Å; P87-Y91 HydrophobicContact CG-CD1 4.16Å; P87-Y91 HydrophobicContact CG-CG 4.41Å
88	P	93.9	Very high	93.1	Very high	72 Å²	72	61.1 Å²	61.1	47%	0.468	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.3	-5.2	1.8	34.6	-36.1	0	0	0	114.1
89	F	95.4	Very high	93.4	Very high	33 Å²	33	60.2 Å²	60.2	15%	0.145	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-41.8	-172.8	-56.4	-68	0	0	0	113.1	V67 L84 Q86 A102 L103 I106	V67-F89 HydrophobicContact CG1-CE2 4.26Å; L84-F89 HydrophobicContact CD1-CD2 3.73Å; L84-F89 HydrophobicContact CD1-CE2 3.83Å; L84-F89 HydrophobicContact CD1-CG 4.18Å; L84-F89 HydrophobicContact CD1-CZ 4.37Å; L84-F89 HydrophobicContact CG-CD2 4.39Å; L84-F89 WeakPolarHBondContact O-CB 3.48Å; Q86-F89 PolarHBondContact O-N 3.01Å; F89-A102 HydrophobicContact CD1-CB 4.22Å; F89-L103 HydrophobicContact CB-CB 4.49Å; F89-L103 VanDerWaalsContact O-CB 3.25Å; F89-L103 WeakPolarHBondContact O-CB 3.33Å; F89-L103 PolarHBondContact O-N 3.44Å; F89-I106 HydrophobicContact CD1-CD1 3.52Å; F89-I106 HydrophobicContact CE1-CD1 3.73Å; F89-I106 HydrophobicContact CG-CD1 4.21Å
90	Y	94.9	Very high	93.8	Very high	88 Å²	88	59.2 Å²	59.2	35%	0.345	31%	0.307	S	S	.	.			trans	-147.3	134.9	-178.6	-179.1	-95.9	0	0	0	113.1	Q86 P87 K99 L103	Q86-Y90 CarbonylContact C-O 3.59Å; Q86-Y90 VanDerWaalsContact CA-O 3.27Å; Q86-Y90 WeakPolarHBondContact CA-O 3.49Å; Q86-Y90 PolarHBondContact O-N 3.29Å; P87-Y90 WeakPolarHBondContact CD-O 3.24Å; P87-Y90 VanDerWaalsContact N-O 3.08Å; Y90-K99 HydrophobicContact CE2-CD 4.5Å; Y90-L103 HydrophobicContact CD2-CD2 3.88Å; Y90-L103 HydrophobicContact CG-CD2 4.22Å
91	Y	93.7	Very high	94.2	Very high	103 Å²	103	56.6 Å²	56.6	40%	0.404	29%	0.293	S	S	.	.			trans	-153.4	146.8	162.4	51	-77.4	0	0	0	109.2	P87 N93 A94 K99	P87-Y91 HydrophobicContact CB-CD1 4.38Å; P87-Y91 HydrophobicContact CG-CD1 4.16Å; P87-Y91 HydrophobicContact CG-CG 4.41Å; Y91-N93 VanDerWaalsContact C-N 3.29Å; Y91-N93 PolarHBondContact O-N 3.33Å; Y91-A94 HydrophobicContact CD1-CB 3.88Å; Y91-A94 HydrophobicContact CD2-CB 3.56Å; Y91-A94 HydrophobicContact CE1-CB 3.61Å; Y91-A94 HydrophobicContact CE2-CB 3.28Å; Y91-A94 HydrophobicContact CG-CB 3.83Å; Y91-A94 VanDerWaalsContact O-CB 3.26Å; Y91-A94 WeakPolarHBondContact O-CB 3.02Å; Y91-A94 PolarHBondContact O-N 3.02Å; Y91-K99 WeakPolarHBondContact O-CE 3.36Å
92	Q	91.4	Very high	94.5	Very high	155 Å²	155	55.7 Å²	55.7	72%	0.724	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-41.8	-168.4	-176	173.9	-3.3	0	0	113	A94 K99	Q92-A94 VanDerWaalsContact C-N 3.34Å; Q92-A94 PolarHBondContact O-N 3.16Å; Q92-K99 WeakPolarHBondContact O-CE 3.48Å; Q92-K99 PolarHBondContact O-NZ 2.91Å
93	N	94.1	Very high	94.9	Very high	150 Å²	150	53.6 Å²	53.6	80%	0.802	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	7.5	-176.3	-62.1	-16.6	0	0	0	113.8	Y91	Y91-N93 VanDerWaalsContact C-N 3.29Å; Y91-N93 PolarHBondContact O-N 3.33Å
94	A	94.1	Very high	95.2	Very high	10 Å²	10	53.5 Å²	53.5	8%	0.083	27%	0.273	C	S	.	.			trans	-65.2	146.6	175.1	0	0	0	0	0	111.5	Y91 Q92 K99	Y91-A94 HydrophobicContact CD1-CB 3.88Å; Y91-A94 HydrophobicContact CD2-CB 3.56Å; Y91-A94 HydrophobicContact CE1-CB 3.61Å; Y91-A94 HydrophobicContact CE2-CB 3.28Å; Y91-A94 HydrophobicContact CG-CB 3.83Å; Y91-A94 VanDerWaalsContact O-CB 3.26Å; Y91-A94 WeakPolarHBondContact O-CB 3.02Å; Y91-A94 PolarHBondContact O-N 3.02Å; Q92-A94 VanDerWaalsContact C-N 3.34Å; Q92-A94 PolarHBondContact O-N 3.16Å; A94-K99 HydrophobicContact CB-CD 4.36Å; A94-K99 HydrophobicContact CB-CG 3.73Å; A94-K99 WeakPolarHBondContact O-CE 3.43Å; A94-K99 PolarHBondContact O-NZ 3.01Å
95	S	95.1	Very high	95.5	Very high	48 Å²	48	53.7 Å²	53.7	34%	0.336	27%	0.273	S	S	.	.			trans	-60.1	156	169.9	74.4	0	0	0	0	110.9	A97 S98 K99 L209	S95-A97 PolarHBondContact O-N 3.01Å; S95-S98 PolarHBondContact O-N 3.02Å; S95-S98 VanDerWaalsContact O-N 3.15Å; S95-S98 PolarHBondContact OG-N 3.45Å; S95-S98 VanDerWaalsContact OG-N 3.11Å; S95-S98 PolarHBondContact OG-OG 3.09Å; S95-K99 PolarHBondContact O-N 3.32Å; S95-L209 WeakPolarHBondContact OG-CD2 3.32Å
96	L	95.2	Very high	95.7	Very high	47 Å²	47	50.7 Å²	50.7	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-40.4	173.8	-72.1	167.9	0	0	0	111.4	S98 K99 Y100 Y185 L189 F192	L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 2.62Å; L96-K99 PolarHBondContact O-N 3.06Å; L96-Y100 HydrophobicContact CD2-CD2 4.31Å; L96-Y100 HydrophobicContact CD2-CE2 3.95Å; L96-Y100 WeakPolarHBondContact O-CB 3.03Å; L96-Y100 WeakPolarHBondContact O-CD2 3.01Å; L96-Y100 PolarHBondContact O-N 3.02Å; L96-Y185 HydrophobicContact CB-CD2 4.06Å; L96-Y185 HydrophobicContact CB-CE2 4.39Å; L96-L189 HydrophobicContact CD1-CD1 4.16Å; L96-F192 HydrophobicContact CD1-CD2 3.45Å; L96-F192 VanDerWaalsContact CD1-CD2 3.45Å; L96-F192 HydrophobicContact CD1-CE2 3.7Å; L96-F192 HydrophobicContact CD2-CE2 4.13Å
97	A	97.1	Very high	95.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.9	-45.2	176.2	0	0	0	0	0	111.8	S95 G101 Y185 S206 L209 F210	S95-A97 PolarHBondContact O-N 3.01Å; A97-G101 WeakPolarHBondContact O-CA 3.17Å; A97-G101 PolarHBondContact O-N 2.88Å; A97-Y185 HydrophobicContact CB-CD2 4.49Å; A97-Y185 HydrophobicContact CB-CE2 3.84Å; A97-S206 VanDerWaalsContact CB-O 3.24Å; A97-S206 WeakPolarHBondContact CB-O 3.16Å; A97-L209 HydrophobicContact CB-CB 4.1Å; A97-L209 HydrophobicContact CB-CD2 4.16Å; A97-L209 HydrophobicContact CB-CG 4.06Å; A97-F210 HydrophobicContact CB-CB 4.13Å; A97-F210 WeakPolarHBondContact O-CA 3.33Å
98	S	97.2	Very high	96.1	Very high	11 Å²	11	45 Å²	45	8%	0.077	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-45	178.6	-69.9	0	0	0	0	113.3	S95 L96 Y100 G101 A102 S213	S95-S98 PolarHBondContact O-N 3.02Å; S95-S98 VanDerWaalsContact O-N 3.15Å; S95-S98 PolarHBondContact OG-N 3.45Å; S95-S98 VanDerWaalsContact OG-N 3.11Å; S95-S98 PolarHBondContact OG-OG 3.09Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 2.62Å; S98-Y100 VanDerWaalsContact C-N 3.34Å; S98-Y100 PolarHBondContact O-N 3.32Å; S98-G101 PolarHBondContact O-N 3.23Å; S98-A102 PolarHBondContact O-N 2.93Å; S98-S213 WeakPolarHBondContact CA-OG 3.42Å; S98-S213 PolarHBondContact OG-OG 3.02Å
99	K	96.9	Very high	96.3	Very high	49 Å²	49	41.7 Å²	41.7	21%	0.213	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-44.6	178.6	-68.7	177.1	178.7	164.7	0	111.9	Y90 Y91 Q92 A94 S95 L96 L103 G104	Y90-K99 HydrophobicContact CE2-CD 4.5Å; Y91-K99 WeakPolarHBondContact O-CE 3.36Å; Q92-K99 WeakPolarHBondContact O-CE 3.48Å; Q92-K99 PolarHBondContact O-NZ 2.91Å; A94-K99 HydrophobicContact CB-CD 4.36Å; A94-K99 HydrophobicContact CB-CG 3.73Å; A94-K99 WeakPolarHBondContact O-CE 3.43Å; A94-K99 PolarHBondContact O-NZ 3.01Å; S95-K99 PolarHBondContact O-N 3.32Å; L96-K99 PolarHBondContact O-N 3.06Å; K99-L103 PolarHBondContact O-N 3.49Å; K99-G104 PolarHBondContact O-N 2.93Å
100	Y	97.8	Very high	96.3	Very high	64 Å²	64	40.7 Å²	40.7	25%	0.251	20%	0.2	S	C	.	.	I	π-helix	trans	-81.2	-31.8	-178.6	-79	-90.5	0	0	0	112.6	L96 S98 A102 G104 W105 S181 T184 L188 F210	L96-Y100 HydrophobicContact CD2-CD2 4.31Å; L96-Y100 HydrophobicContact CD2-CE2 3.95Å; L96-Y100 WeakPolarHBondContact O-CB 3.03Å; L96-Y100 WeakPolarHBondContact O-CD2 3.01Å; L96-Y100 PolarHBondContact O-N 3.02Å; S98-Y100 VanDerWaalsContact C-N 3.34Å; S98-Y100 PolarHBondContact O-N 3.32Å; Y100-A102 VanDerWaalsContact C-N 3.31Å; Y100-A102 PolarHBondContact O-N 3.28Å; Y100-G104 CarbonylContact O-C 2.96Å; Y100-G104 WeakPolarHBondContact O-CA 3.49Å; Y100-W105 PolarHBondContact O-N 2.9Å; Y100-S181 PolarHBondContact O-OG 3.36Å; Y100-T184 HydrophobicContact CD1-CG2 4.14Å; Y100-T184 HydrophobicContact CE1-CG2 3.47Å; Y100-T184 VanDerWaalsContact CE1-CG2 3.47Å; Y100-L188 HydrophobicContact CE1-CD1 4.13Å; Y100-L188 HydrophobicContact CE2-CD1 3.73Å; Y100-L188 WeakPolarHBondContact OH-CD1 3.09Å; Y100-F210 VanDerWaalsContact C-CE2 3.47Å
101	G	98.1	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-61.3	-40.9	173.1	0	0	0	0	0	112	A97 S98 W105 F210 F214	A97-G101 WeakPolarHBondContact O-CA 3.17Å; A97-G101 PolarHBondContact O-N 2.88Å; S98-G101 PolarHBondContact O-N 3.23Å; G101-W105 WeakPolarHBondContact O-CB 3.25Å; G101-F210 WeakPolarHBondContact CA-O 3.45Å; G101-F214 WeakPolarHBondContact O-CA 3.23Å; G101-F214 WeakPolarHBondContact O-CB 3.27Å; G101-F214 PolarHBondContact O-N 3.35Å
102	A	96.9	Very high	96.5	Very high	2 Å²	2	37 Å²	37	2%	0.017	19%	0.192	C	C	.	.	I	π-helix	trans	-94.9	-82.6	179.9	0	0	0	0	0	112.4	F89 S98 Y100 G104 W105 I106	F89-A102 HydrophobicContact CD1-CB 4.22Å; S98-A102 PolarHBondContact O-N 2.93Å; Y100-A102 VanDerWaalsContact C-N 3.31Å; Y100-A102 PolarHBondContact O-N 3.28Å; A102-G104 PolarHBondContact O-N 3.47Å; A102-W105 PolarHBondContact O-N 3.27Å; A102-I106 PolarHBondContact O-N 2.99Å
103	L	97.4	Very high	96.6	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.079	17%	0.169	C	C	.	.	I	π-helix	trans	-63.1	-39.3	-176.1	178.7	63.7	0	0	0	113.3	L80 L84 L85 F89 Y90 K99 W105 I106 I107	L80-L103 HydrophobicContact CD1-CD1 3.97Å; L80-L103 HydrophobicContact CD2-CD1 4.1Å; L84-L103 HydrophobicContact CD2-CD1 4.42Å; L85-L103 HydrophobicContact CD2-CD1 4.49Å; L85-L103 HydrophobicContact CD2-CD2 3.87Å; F89-L103 HydrophobicContact CB-CB 4.49Å; F89-L103 VanDerWaalsContact O-CB 3.25Å; F89-L103 WeakPolarHBondContact O-CB 3.33Å; F89-L103 PolarHBondContact O-N 3.44Å; Y90-L103 HydrophobicContact CD2-CD2 3.88Å; Y90-L103 HydrophobicContact CG-CD2 4.22Å; K99-L103 PolarHBondContact O-N 3.49Å; L103-W105 VanDerWaalsContact C-N 3.26Å; L103-W105 PolarHBondContact O-N 3.45Å; L103-I106 PolarHBondContact O-N 2.95Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L103-I107 HydrophobicContact CD1-CD1 4.18Å; L103-I107 HydrophobicContact CD1-CG1 4.23Å; L103-I107 HydrophobicContact CD2-CD1 4.31Å; L103-I107 HydrophobicContact CG-CD1 3.87Å; L103-I107 HydrophobicContact CG-CG1 4.36Å; L103-I107 WeakPolarHBondContact O-CG1 3.37Å; L103-I107 PolarHBondContact O-N 3.14Å
104	G	97.6	Very high	96.6	Very high	8 Å²	8	26.7 Å²	26.7	8%	0.082	14%	0.14	C	C	.	.	I	π-helix	trans	-62.8	-33.9	179.6	0	0	0	0	0	112.9	K99 Y100 A102 S108	K99-G104 PolarHBondContact O-N 2.93Å; Y100-G104 CarbonylContact O-C 2.96Å; Y100-G104 WeakPolarHBondContact O-CA 3.49Å; A102-G104 PolarHBondContact O-N 3.47Å; G104-S108 VanDerWaalsContact O-CB 3.31Å; G104-S108 WeakPolarHBondContact O-CB 3.31Å; G104-S108 PolarHBondContact O-N 2.96Å; G104-S108 PolarHBondContact O-OG 3.35Å
105	W	98	Very high	96.5	Very high	10 Å²	10	29.7 Å²	29.7	4%	0.038	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-46.1	171.9	166.2	71.6	0	0	0	111.2	Y100 G101 A102 L103 I107 S108 H109 D174 L178 S181 F214 L218	Y100-W105 PolarHBondContact O-N 2.9Å; G101-W105 WeakPolarHBondContact O-CB 3.25Å; A102-W105 PolarHBondContact O-N 3.27Å; L103-W105 VanDerWaalsContact C-N 3.26Å; L103-W105 PolarHBondContact O-N 3.45Å; W105-I107 PolarHBondContact O-N 3.16Å; W105-S108 CarbonylContact O-C 3.5Å; W105-S108 PolarHBondContact O-N 3.28Å; W105-H109 WeakPolarHBondContact O-CB 3.13Å; W105-H109 PolarHBondContact O-N 3.23Å; W105-D174 VanDerWaalsContact CZ2-OD1 3.27Å; W105-D174 WeakPolarHBondContact CZ2-OD1 3.28Å; W105-D174 PolarHBondContact NE1-O 2.85Å; W105-L178 HydrophobicContact CB-CD1 4.28Å; W105-L178 HydrophobicContact CG-CD1 4.2Å; W105-S181 PolarHBondContact N-OG 3.21Å; W105-F214 HydrophobicContact CB-CD2 4.29Å; W105-F214 AromaticContact CD1-CE2 3.91Å; W105-F214 AromaticContact CD2-CD2 3.68Å; W105-F214 HydrophobicContact CD2-CD2 3.68Å; W105-F214 AromaticContact CD2-CE2 3.6Å; W105-F214 HydrophobicContact CD2-CE2 3.6Å; W105-F214 AromaticContact CE2-CE2 3.44Å; W105-F214 VanDerWaalsContact CE2-CE2 3.44Å; W105-F214 HydrophobicContact CE3-CD2 4.07Å; W105-F214 HydrophobicContact CE3-CE2 4.15Å; W105-F214 AromaticContact CG-CD2 3.73Å; W105-F214 HydrophobicContact CG-CD2 3.73Å; W105-F214 AromaticContact CG-CE2 3.91Å; W105-F214 HydrophobicContact CG-CE2 3.91Å; W105-F214 HydrophobicContact CH2-CE2 4.38Å; W105-F214 AromaticContact CZ2-CE2 3.83Å; W105-F214 HydrophobicContact CZ2-CE2 3.83Å; W105-F214 AromaticContact NE1-CE2 3.61Å; W105-L218 HydrophobicContact CH2-CD1 3.78Å; W105-L218 HydrophobicContact CH2-CD2 4.01Å; W105-L218 HydrophobicContact CH2-CG 4.13Å; W105-L218 HydrophobicContact CZ2-CD1 4.21Å; W105-L218 HydrophobicContact CZ3-CD1 4.23Å; W105-L218 HydrophobicContact CZ3-CD2 4.37Å; W105-L218 HydrophobicContact CZ3-CG 4.27Å
106	I	97.8	Very high	96.5	Very high	17 Å²	17	27.7 Å²	27.7	9%	0.087	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-46.1	177.8	-61.4	173.9	0	0	0	111.3	A69 L84 F89 A102 L103 S108 H109 E110	A69-I106 HydrophobicContact CB-CG2 3.61Å; L84-I106 HydrophobicContact CD1-CD1 4.15Å; L84-I106 HydrophobicContact CD2-CD1 3.81Å; L84-I106 HydrophobicContact CD2-CG2 3.76Å; L84-I106 HydrophobicContact CG-CD1 4.22Å; F89-I106 HydrophobicContact CD1-CD1 3.52Å; F89-I106 HydrophobicContact CE1-CD1 3.73Å; F89-I106 HydrophobicContact CG-CD1 4.21Å; A102-I106 PolarHBondContact O-N 2.99Å; L103-I106 PolarHBondContact O-N 2.95Å; L103-I106 VanDerWaalsContact O-N 3.14Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 3.04Å; I106-H109 WeakPolarHBondContact O-CB 3.5Å; I106-H109 PolarHBondContact O-N 3.38Å; I106-E110 PolarHBondContact O-N 3.35Å; I106-E110 VanDerWaalsContact O-N 3.17Å
107	I	97.5	Very high	96.5	Very high	50 Å²	50	25.6 Å²	25.6	26%	0.256	13%	0.13	S	C	.	.	H	α-helix	trans	-61.2	-44.7	177.2	-70	170.5	0	0	0	110.4	M78 L80 L103 W105 H109 E110 I111	M78-I107 HydrophobicContact CE-CG1 4.46Å; M78-I107 HydrophobicContact CE-CG2 3.99Å; M78-I107 HydrophobicContact SD-CB 4.49Å; M78-I107 HydrophobicContact SD-CG2 4.21Å; L80-I107 HydrophobicContact CD2-CD1 4.3Å; L80-I107 HydrophobicContact CD2-CG1 4.41Å; L103-I107 HydrophobicContact CD1-CD1 4.18Å; L103-I107 HydrophobicContact CD1-CG1 4.23Å; L103-I107 HydrophobicContact CD2-CD1 4.31Å; L103-I107 HydrophobicContact CG-CD1 3.87Å; L103-I107 HydrophobicContact CG-CG1 4.36Å; L103-I107 WeakPolarHBondContact O-CG1 3.37Å; L103-I107 PolarHBondContact O-N 3.14Å; W105-I107 PolarHBondContact O-N 3.16Å; I107-H109 VanDerWaalsContact C-N 3.33Å; I107-H109 PolarHBondContact O-N 3.42Å; I107-E110 PolarHBondContact O-N 3.33Å; I107-I111 HydrophobicContact CG2-CD1 3.8Å; I107-I111 VanDerWaalsContact O-CG1 3.29Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 3.25Å; I107-I111 VanDerWaalsContact O-N 3.09Å
108	S	97.7	Very high	96.3	Very high	13 Å²	13	29.4 Å²	29.4	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-38.2	178.9	-57.8	0	0	0	0	111.6	G104 W105 I106 I111 M112 G177	G104-S108 VanDerWaalsContact O-CB 3.31Å; G104-S108 WeakPolarHBondContact O-CB 3.31Å; G104-S108 PolarHBondContact O-N 2.96Å; G104-S108 PolarHBondContact O-OG 3.35Å; W105-S108 CarbonylContact O-C 3.5Å; W105-S108 PolarHBondContact O-N 3.28Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 3.04Å; S108-I111 PolarHBondContact O-N 2.88Å; S108-M112 WeakPolarHBondContact O-CG 3.38Å; S108-M112 PolarHBondContact O-N 2.83Å; S108-G177 WeakPolarHBondContact CB-O 3.13Å
109	H	97.7	Very high	96.1	Very high	3 Å²	3	29 Å²	29	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-54.4	-54.2	175.3	-177.2	92.9	0	0	0	111	W105 I106 I107 I111 M112 R113 E170 A173 D174	W105-H109 WeakPolarHBondContact O-CB 3.13Å; W105-H109 PolarHBondContact O-N 3.23Å; I106-H109 WeakPolarHBondContact O-CB 3.5Å; I106-H109 PolarHBondContact O-N 3.38Å; I107-H109 VanDerWaalsContact C-N 3.33Å; I107-H109 PolarHBondContact O-N 3.42Å; H109-I111 VanDerWaalsContact C-N 3.35Å; H109-I111 PolarHBondContact O-N 2.78Å; H109-M112 WeakPolarHBondContact O-CB 3.32Å; H109-M112 PolarHBondContact O-N 3.36Å; H109-M112 VanDerWaalsContact O-N 3.11Å; H109-R113 WeakPolarHBondContact O-CG 3.42Å; H109-R113 PolarHBondContact O-N 3.02Å; H109-E170 IonicContact CE1-OE2 3.69Å; H109-E170 PolarHBondContact CE1-OE2 2.82Å; H109-E170 VanDerWaalsContact CE1-OE2 3.3Å; H109-E170 IonicContact NE2-OE2 2.93Å; H109-E170 PolarHBondContact NE2-OE2 3.44Å; H109-A173 WeakPolarHBondContact CE1-CB 3.47Å; H109-A173 VanDerWaalsContact ND1-C 3.33Å; H109-A173 WeakPolarHBondContact ND1-CB 3.4Å; H109-D174 IonicContact CE1-OD1 3.32Å; H109-D174 PolarHBondContact CE1-OD1 2.79Å; H109-D174 PolarHBondContact ND1-N 2.81Å; H109-D174 IonicContact ND1-OD1 2.93Å; H109-D174 PolarHBondContact ND1-OD1 3.25Å
110	E	96.6	Very high	95.9	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-34.6	-179.4	-61.1	-51.1	147.8	0	0	112.8	A69 F70 Y71 M78 I106 I107 M112 R113	A69-E110 HydrophobicContact CB-CG 3.85Å; F70-E110 VanDerWaalsContact C-OE2 3.28Å; F70-E110 VanDerWaalsContact CA-OE2 3.26Å; F70-E110 WeakPolarHBondContact CA-OE2 3.25Å; Y71-E110 PolarHBondContact N-OE2 2.99Å; M78-E110 HydrophobicContact CB-CB 4.3Å; M78-E110 HydrophobicContact CG-CB 3.54Å; M78-E110 HydrophobicContact CG-CG 4.05Å; M78-E110 HydrophobicContact SD-CB 3.52Å; M78-E110 VanDerWaalsContact SD-CB 3.52Å; M78-E110 HydrophobicContact SD-CG 4.14Å; I106-E110 PolarHBondContact O-N 3.35Å; I106-E110 VanDerWaalsContact O-N 3.17Å; I107-E110 PolarHBondContact O-N 3.33Å; E110-M112 VanDerWaalsContact C-N 3.32Å; E110-R113 WeakPolarHBondContact O-CB 3.48Å; E110-R113 PolarHBondContact O-N 3.27Å; E110-R113 WeakPolarHBondContact OE2-CD 3.47Å; E110-R113 IonicContact OE2-NH1 3.38Å; E110-R113 PolarHBondContact OE2-NH1 2.82Å
111	I	96	Very high	95.8	Very high	85 Å²	85	26 Å²	26	44%	0.436	14%	0.135	S	C	.	.	H	α-helix	trans	-62.7	-41.4	172.1	-68.7	168.5	0	0	0	110.7	I107 S108 H109 R113 A114	I107-I111 HydrophobicContact CG2-CD1 3.8Å; I107-I111 VanDerWaalsContact O-CG1 3.29Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 3.25Å; I107-I111 VanDerWaalsContact O-N 3.09Å; S108-I111 PolarHBondContact O-N 2.88Å; H109-I111 VanDerWaalsContact C-N 3.35Å; H109-I111 PolarHBondContact O-N 2.78Å; I111-R113 PolarHBondContact O-N 3.45Å; I111-A114 WeakPolarHBondContact O-CB 3.11Å; I111-A114 PolarHBondContact O-N 2.86Å; I111-A114 VanDerWaalsContact O-N 3.09Å
112	M	95.8	Very high	95.6	Very high	28 Å²	28	28.4 Å²	28.4	14%	0.138	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-23.8	179.5	-69.4	-60.3	129.3	0	0	112.6	S108 H109 E110 A114 I115 G116 A173 N176 A180	S108-M112 WeakPolarHBondContact O-CG 3.38Å; S108-M112 PolarHBondContact O-N 2.83Å; H109-M112 WeakPolarHBondContact O-CB 3.32Å; H109-M112 PolarHBondContact O-N 3.36Å; H109-M112 VanDerWaalsContact O-N 3.11Å; E110-M112 VanDerWaalsContact C-N 3.32Å; M112-A114 VanDerWaalsContact C-N 3.27Å; M112-A114 PolarHBondContact O-N 3.17Å; M112-I115 HydrophobicContact CE-CD1 4.35Å; M112-I115 CarbonylContact O-C 3.6Å; M112-I115 PolarHBondContact O-N 2.99Å; M112-I115 HydrophobicContact SD-CD1 3.89Å; M112-I115 HydrophobicContact SD-CG1 4.26Å; M112-G116 PolarHBondContact O-N 3.34Å; M112-A173 HydrophobicContact CB-CB 4.17Å; M112-N176 HydrophobicContact CG-CB 3.8Å; M112-N176 HydrophobicContact SD-CB 3.66Å; M112-A180 HydrophobicContact CE-CB 3.8Å
113	R	94.5	Very high	95.3	Very high	65 Å²	65	30.1 Å²	30.1	25%	0.245	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-30	174.3	-58.1	-176	81.8	175.7	9.4	112.5	Y71 H109 E110 I111 I115 G116 G119 E170 A173	Y71-R113 HydrophobicContact CD1-CB 3.83Å; Y71-R113 HydrophobicContact CG-CB 4.14Å; H109-R113 WeakPolarHBondContact O-CG 3.42Å; H109-R113 PolarHBondContact O-N 3.02Å; E110-R113 WeakPolarHBondContact O-CB 3.48Å; E110-R113 PolarHBondContact O-N 3.27Å; E110-R113 WeakPolarHBondContact OE2-CD 3.47Å; E110-R113 IonicContact OE2-NH1 3.38Å; E110-R113 PolarHBondContact OE2-NH1 2.82Å; I111-R113 PolarHBondContact O-N 3.45Å; R113-I115 PolarHBondContact O-N 3.13Å; R113-G116 PolarHBondContact O-N 2.71Å; R113-G119 WeakPolarHBondContact O-CA 3.37Å; R113-E170 IonicContact CZ-OE1 2.62Å; R113-E170 IonicContact NE-OE1 3.48Å; R113-E170 IonicContact NH1-OE1 3.63Å; R113-E170 IonicContact NH2-OE1 3.77Å; R113-E170 PolarHBondContact NH2-OE1 3.12Å; R113-A173 HydrophobicContact CG-CB 4.08Å
114	A	93.8	Very high	95	Very high	23 Å²	23	36 Å²	36	19%	0.19	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-26.5	175.4	0	0	0	0	0	112.9	Y71 I111 M112 G119	Y71-A114 HydrophobicContact CD2-CB 4.39Å; Y71-A114 HydrophobicContact CE1-CB 4.19Å; Y71-A114 HydrophobicContact CE2-CB 3.68Å; I111-A114 WeakPolarHBondContact O-CB 3.11Å; I111-A114 PolarHBondContact O-N 2.86Å; I111-A114 VanDerWaalsContact O-N 3.09Å; M112-A114 VanDerWaalsContact C-N 3.27Å; M112-A114 PolarHBondContact O-N 3.17Å; A114-G119 CarbonylContact O-C 3.56Å; A114-G119 VanDerWaalsContact O-CA 3.22Å; A114-G119 WeakPolarHBondContact O-CA 3.41Å
115	I	93	Very high	94.7	Very high	74 Å²	74	40.6 Å²	40.6	38%	0.379	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	23.7	179.4	60.6	170.3	0	0	0	112.2	M112 R113	M112-I115 HydrophobicContact CE-CD1 4.35Å; M112-I115 CarbonylContact O-C 3.6Å; M112-I115 PolarHBondContact O-N 2.99Å; M112-I115 HydrophobicContact SD-CD1 3.89Å; M112-I115 HydrophobicContact SD-CG1 4.26Å; R113-I115 PolarHBondContact O-N 3.13Å
116	G	93.7	Very high	94.2	Very high	5 Å²	5	41.2 Å²	41.2	5%	0.052	21%	0.21	C	C	.	.	S	Bend	trans	-82.4	-164.1	175.6	0	0	0	0	0	113.1	M112 R113 K118 V120	M112-G116 PolarHBondContact O-N 3.34Å; R113-G116 PolarHBondContact O-N 2.71Å; G116-K118 PolarHBondContact O-N 3.42Å; G116-V120 WeakPolarHBondContact O-CG1 3.37Å; G116-V120 WeakPolarHBondContact O-CG2 3.23Å; G116-V120 PolarHBondContact O-N 3.38Å
117	I	94.8	Very high	93.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-47.1	-177.8	-63.1	167.1	0	0	0	110.9	V120 S138 M141 Q142 A145 T165 Q168 E169 L172	I117-V120 WeakPolarHBondContact O-CG2 3.22Å; I117-S138 WeakPolarHBondContact O-CB 3.36Å; I117-S138 PolarHBondContact O-OG 3.44Å; I117-M141 HydrophobicContact CG1-CB 3.93Å; I117-Q142 HydrophobicContact CD1-CB 4.39Å; I117-Q142 HydrophobicContact CD1-CG 4.45Å; I117-Q142 HydrophobicContact CG1-CB 4.47Å; I117-Q142 HydrophobicContact CG2-CB 4.36Å; I117-A145 HydrophobicContact CD1-CB 4.21Å; I117-T165 HydrophobicContact CD1-CG2 4.5Å; I117-T165 HydrophobicContact CG2-CG2 3.97Å; I117-Q168 HydrophobicContact CD1-CB 3.74Å; I117-E169 PolarHBondContact N-OE1 3.17Å; I117-L172 HydrophobicContact CD1-CD1 3.74Å; I117-L172 HydrophobicContact CG1-CD1 3.64Å
118	K	93.9	Very high	93.6	Very high	80 Å²	80	49 Å²	49	35%	0.348	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-35.9	178	-62.4	175.6	-165.6	-178.1	0	111.4	G116 V120 L121 F122 D166 E169	G116-K118 PolarHBondContact O-N 3.42Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 2.91Å; K118-L121 VanDerWaalsContact O-CB 3.28Å; K118-L121 WeakPolarHBondContact O-CB 3.42Å; K118-L121 PolarHBondContact O-N 2.77Å; K118-F122 WeakPolarHBondContact O-CD2 3.46Å; K118-D166 WeakPolarHBondContact CE-OD1 3.44Å; K118-D166 IonicContact NZ-OD1 2.59Å; K118-D166 PolarHBondContact NZ-OD1 3.35Å; K118-D166 IonicContact NZ-OD2 3.83Å; K118-E169 WeakPolarHBondContact CB-OE1 3.31Å; K118-E169 WeakPolarHBondContact CD-OE2 3.39Å; K118-E169 VanDerWaalsContact CE-OE2 3.3Å; K118-E169 WeakPolarHBondContact CE-OE2 3.39Å; K118-E169 WeakPolarHBondContact CG-OE2 3.25Å; K118-E169 PolarHBondContact N-OE1 2.67Å
119	G	92.9	Very high	93.3	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.021	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-53.2	-45.2	-178.1	0	0	0	0	0	113.2	R113 A114 L121 F122	R113-G119 WeakPolarHBondContact O-CA 3.37Å; A114-G119 CarbonylContact O-C 3.56Å; A114-G119 VanDerWaalsContact O-CA 3.22Å; A114-G119 WeakPolarHBondContact O-CA 3.41Å; G119-L121 PolarHBondContact O-N 3.21Å; G119-F122 PolarHBondContact O-N 2.91Å
120	V	92.6	Very high	92.9	Very high	20 Å²	20	58.1 Å²	58.1	12%	0.121	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-64.7	-13.3	179.9	-62.7	0	0	0	0	114.8	G116 I117 K118 F122 R129	G116-V120 WeakPolarHBondContact O-CG1 3.37Å; G116-V120 WeakPolarHBondContact O-CG2 3.23Å; G116-V120 PolarHBondContact O-N 3.38Å; I117-V120 WeakPolarHBondContact O-CG2 3.22Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 2.91Å; V120-F122 PolarHBondContact O-N 2.96Å; V120-R129 PolarHBondContact O-NH1 2.65Å
121	L	94.7	Very high	92.7	Very high	30 Å²	30	59.9 Å²	59.9	16%	0.157	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-79.7	1.2	173.6	-60.2	174.8	0	0	0	112.7	K118 G119 K128 R129 A134 L135	K118-L121 VanDerWaalsContact O-CB 3.28Å; K118-L121 WeakPolarHBondContact O-CB 3.42Å; K118-L121 PolarHBondContact O-N 2.77Å; G119-L121 PolarHBondContact O-N 3.21Å; L121-K128 CarbonylContact O-C 3.52Å; L121-K128 WeakPolarHBondContact O-CA 3.39Å; L121-R129 PolarHBondContact O-N 2.77Å; L121-A134 HydrophobicContact CD2-CB 4.31Å; L121-L135 HydrophobicContact CD2-CD2 4.17Å
122	F	94	Very high	92.6	Very high	50 Å²	50	63.3 Å²	63.3	22%	0.219	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-122.5	145.1	178.3	-63.4	-99.9	0	0	0	109.8	T73 K118 G119 V120 N127 K128	T73-F122 HydrophobicContact CG2-CB 4.03Å; T73-F122 HydrophobicContact CG2-CD1 3.77Å; T73-F122 HydrophobicContact CG2-CD2 3.23Å; T73-F122 HydrophobicContact CG2-CE1 3.96Å; T73-F122 HydrophobicContact CG2-CE2 3.48Å; T73-F122 VanDerWaalsContact CG2-CE2 3.48Å; T73-F122 HydrophobicContact CG2-CG 3.39Å; T73-F122 HydrophobicContact CG2-CZ 3.83Å; K118-F122 WeakPolarHBondContact O-CD2 3.46Å; G119-F122 PolarHBondContact O-N 2.91Å; V120-F122 PolarHBondContact O-N 2.96Å; F122-N127 WeakPolarHBondContact CA-O 3.34Å; F122-K128 HydrophobicContact CD1-CB 4.33Å; F122-K128 HydrophobicContact CE1-CB 4.06Å; F122-K128 HydrophobicContact CE1-CG 4.43Å; F122-K128 HydrophobicContact CZ-CG 4.47Å
123	D	91.4	Very high	92.4	Very high	38 Å²	38	66.9 Å²	66.9	20%	0.203	33%	0.332	C	S	.	.			trans	-85.3	177.5	171.7	72.2	13.2	0	0	0	111.4	N125 S126 N127 R129	D123-N125 PolarHBondContact O-N 3.43Å; D123-N125 VanDerWaalsContact O-N 3.13Å; D123-N125 VanDerWaalsContact OD1-CA 3.28Å; D123-N125 WeakPolarHBondContact OD1-CA 3.32Å; D123-N125 WeakPolarHBondContact OD1-CB 3.36Å; D123-N125 PolarHBondContact OD1-N 3.14Å; D123-S126 PolarHBondContact O-N 3.35Å; D123-S126 PolarHBondContact OD1-N 2.74Å; D123-N127 PolarHBondContact N-O 3.2Å; D123-N127 PolarHBondContact OD1-N 3.18Å; D123-N127 PolarHBondContact OD1-ND2 3.25Å; D123-N127 WeakPolarHBondContact OD2-CB 3.27Å; D123-N127 PolarHBondContact OD2-ND2 3.44Å; D123-R129 HydrophobicContact CB-CG 4.01Å
124	E	91	Very high	92.4	Very high	138 Å²	138	63.8 Å²	63.8	65%	0.645	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.9	179.5	67.2	-79.9	-175.9	0	0	113.8	N76	N76-E124 PolarHBondContact ND2-O 2.95Å; N76-E124 VanDerWaalsContact ND2-O 3.08Å
125	N	90.6	Very high	92.5	Very high	106 Å²	106	67 Å²	67	57%	0.567	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	10.6	177.9	-58.5	-59.9	0	0	0	112.3	D123 N127	D123-N125 PolarHBondContact O-N 3.43Å; D123-N125 VanDerWaalsContact O-N 3.13Å; D123-N125 VanDerWaalsContact OD1-CA 3.28Å; D123-N125 WeakPolarHBondContact OD1-CA 3.32Å; D123-N125 WeakPolarHBondContact OD1-CB 3.36Å; D123-N125 PolarHBondContact OD1-N 3.14Å; N125-N127 PolarHBondContact O-N 2.97Å
126	S	89.2	Confident	92.6	Very high	23 Å²	23	70.5 Å²	70.5	16%	0.161	34%	0.343	C	S	.	.			trans	66	18.6	-179.1	-44.6	0	0	0	0	114.7	T73 D74 G75 N76 D123	T73-S126 WeakPolarHBondContact O-CB 3.37Å; T73-S126 PolarHBondContact O-OG 3.27Å; D74-S126 VanDerWaalsContact C-CB 3.49Å; D74-S126 VanDerWaalsContact O-CB 3.27Å; D74-S126 WeakPolarHBondContact O-CB 2.99Å; D74-S126 PolarHBondContact O-OG 3.21Å; G75-S126 VanDerWaalsContact C-OG 3.23Å; G75-S126 WeakPolarHBondContact CA-OG 3.48Å; G75-S126 PolarHBondContact N-OG 2.99Å; N76-S126 PolarHBondContact N-OG 3.24Å; N76-S126 VanDerWaalsContact N-OG 3.07Å; D123-S126 PolarHBondContact O-N 3.35Å; D123-S126 PolarHBondContact OD1-N 2.74Å
127	N	91.4	Very high	92.6	Very high	94 Å²	94	71.9 Å²	71.9	50%	0.503	35%	0.352	S	S	.	.			trans	-79.7	133.1	172.1	-52.4	-62	0	0	0	110	F122 D123 N125 R129	F122-N127 WeakPolarHBondContact CA-O 3.34Å; D123-N127 PolarHBondContact N-O 3.2Å; D123-N127 PolarHBondContact OD1-N 3.18Å; D123-N127 PolarHBondContact OD1-ND2 3.25Å; D123-N127 WeakPolarHBondContact OD2-CB 3.27Å; D123-N127 PolarHBondContact OD2-ND2 3.44Å; N125-N127 PolarHBondContact O-N 2.97Å; N127-R129 PolarHBondContact O-N 2.95Å
128	K	91.2	Very high	92.6	Very high	136 Å²	136	72.5 Å²	72.5	59%	0.591	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-66.5	118.2	173.9	-170.3	176.3	-179.8	177.3	0	110.1	L121 F122	L121-K128 CarbonylContact O-C 3.52Å; L121-K128 WeakPolarHBondContact O-CA 3.39Å; F122-K128 HydrophobicContact CD1-CB 4.33Å; F122-K128 HydrophobicContact CE1-CB 4.06Å; F122-K128 HydrophobicContact CE1-CG 4.43Å; F122-K128 HydrophobicContact CZ-CG 4.47Å
129	R	90.6	Very high	92.7	Very high	87 Å²	87	72.2 Å²	72.2	33%	0.328	36%	0.364	S	S	.	.			trans	-86.6	112.9	175.5	-60.1	169.8	65.1	-155.5	2.2	109	V120 L121 D123 N127 A134	V120-R129 PolarHBondContact O-NH1 2.65Å; L121-R129 PolarHBondContact O-N 2.77Å; D123-R129 HydrophobicContact CB-CG 4.01Å; N127-R129 PolarHBondContact O-N 2.95Å; R129-A134 HydrophobicContact CB-CB 3.57Å; R129-A134 WeakPolarHBondContact O-CB 3.26Å
130	N	89.3	Confident	92.7	Very high	120 Å²	120	75.4 Å²	75.4	64%	0.642	38%	0.378	S	S	*	.			trans	-99.4	15.9	171.3	-62.3	-29.6	0	0	0	112.2
131	S	92.4	Very high	92.7	Very high	50 Å²	50	74.6 Å²	74.6	35%	0.35	37%	0.373	S	S	.	.	S	Bend	trans	-68.8	156	178.2	63.6	0	0	0	0	111.2	D133 A134 L135	S131-D133 PolarHBondContact O-N 3.29Å; S131-A134 PolarHBondContact O-N 3.48Å; S131-A134 VanDerWaalsContact O-N 3.12Å; S131-A134 PolarHBondContact OG-N 2.91Å; S131-L135 PolarHBondContact O-N 3.43Å; S131-L135 VanDerWaalsContact O-N 3.14Å
132	F	94.1	Very high	92.7	Very high	156 Å²	156	76.6 Å²	76.6	68%	0.684	38%	0.381	S	S	*	.	H	α-helix	trans	-52.7	-44.7	174.3	178.9	-98.2	0	0	0	111.6	A134 L135 W136	F132-A134 VanDerWaalsContact C-N 3.31Å; F132-A134 PolarHBondContact O-N 3.47Å; F132-L135 PolarHBondContact O-N 2.87Å; F132-W136 HydrophobicContact CE1-CB 4.45Å; F132-W136 VanDerWaalsContact O-CB 3.3Å; F132-W136 WeakPolarHBondContact O-CB 3.38Å; F132-W136 PolarHBondContact O-N 3.48Å
133	D	92.4	Very high	92.7	Very high	103 Å²	103	77.5 Å²	77.5	55%	0.551	39%	0.394	S	S	*	.	H	α-helix	trans	-60.8	-37	179.8	-59.3	-25	0	0	0	113.2	S131 S137	S131-D133 PolarHBondContact O-N 3.29Å; D133-S137 VanDerWaalsContact O-CB 3.32Å; D133-S137 WeakPolarHBondContact O-CB 3.41Å; D133-S137 PolarHBondContact O-N 3.33Å; D133-S137 PolarHBondContact O-OG 3.29Å
134	A	93.3	Very high	92.6	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-70.3	-45.2	178.6	0	0	0	0	0	111.2	L121 R129 S131 F132 W136 S137 S138	L121-A134 HydrophobicContact CD2-CB 4.31Å; R129-A134 HydrophobicContact CB-CB 3.57Å; R129-A134 WeakPolarHBondContact O-CB 3.26Å; S131-A134 PolarHBondContact O-N 3.48Å; S131-A134 VanDerWaalsContact O-N 3.12Å; S131-A134 PolarHBondContact OG-N 2.91Å; F132-A134 VanDerWaalsContact C-N 3.31Å; F132-A134 PolarHBondContact O-N 3.47Å; A134-W136 VanDerWaalsContact C-N 3.33Å; A134-W136 PolarHBondContact O-N 3.01Å; A134-S137 PolarHBondContact O-N 3.39Å; A134-S138 PolarHBondContact O-N 3.03Å
135	L	95.5	Very high	92.8	Very high	92 Å²	92	72.6 Å²	72.6	48%	0.482	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175.9	-66.6	173.8	0	0	0	111.8	L121 S131 F132 S138 S139	L121-L135 HydrophobicContact CD2-CD2 4.17Å; S131-L135 PolarHBondContact O-N 3.43Å; S131-L135 VanDerWaalsContact O-N 3.14Å; F132-L135 PolarHBondContact O-N 2.87Å; L135-S138 PolarHBondContact O-N 3.36Å; L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 3.21Å; L135-S139 PolarHBondContact O-OG 3.3Å
136	W	95.9	Very high	92.9	Very high	147 Å²	147	70.5 Å²	70.5	56%	0.557	36%	0.36	S	S	*	.	H	α-helix	trans	-63.8	-44.9	174.3	-175.8	88.1	0	0	0	111.3	F132 A134 S138 S139 F140	F132-W136 HydrophobicContact CE1-CB 4.45Å; F132-W136 VanDerWaalsContact O-CB 3.3Å; F132-W136 WeakPolarHBondContact O-CB 3.38Å; F132-W136 PolarHBondContact O-N 3.48Å; A134-W136 VanDerWaalsContact C-N 3.33Å; A134-W136 PolarHBondContact O-N 3.01Å; W136-S138 PolarHBondContact O-N 2.86Å; W136-S139 PolarHBondContact O-N 3.23Å; W136-F140 HydrophobicContact CH2-CD2 4.39Å; W136-F140 HydrophobicContact CH2-CG 4.34Å; W136-F140 HydrophobicContact CZ3-CB 4.41Å; W136-F140 HydrophobicContact CZ3-CG 4.49Å; W136-F140 VanDerWaalsContact O-CB 3.29Å; W136-F140 WeakPolarHBondContact O-CB 3.41Å; W136-F140 PolarHBondContact O-N 2.89Å
137	S	94.4	Very high	93.2	Very high	34 Å²	34	71.8 Å²	71.8	24%	0.238	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-43.6	177.1	-60.6	0	0	0	0	111.7	D133 A134 F140 M141	D133-S137 VanDerWaalsContact O-CB 3.32Å; D133-S137 WeakPolarHBondContact O-CB 3.41Å; D133-S137 PolarHBondContact O-N 3.33Å; D133-S137 PolarHBondContact O-OG 3.29Å; A134-S137 PolarHBondContact O-N 3.39Å; S137-F140 PolarHBondContact O-N 3.14Å; S137-M141 WeakPolarHBondContact O-CG 3.34Å; S137-M141 PolarHBondContact O-N 2.85Å
138	S	94.8	Very high	93.4	Very high	16 Å²	16	67.4 Å²	67.4	11%	0.112	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-45.4	176.8	-173.3	0	0	0	0	111.5	I117 A134 L135 W136 F140 M141 Q142	I117-S138 WeakPolarHBondContact O-CB 3.36Å; I117-S138 PolarHBondContact O-OG 3.44Å; A134-S138 PolarHBondContact O-N 3.03Å; L135-S138 PolarHBondContact O-N 3.36Å; W136-S138 PolarHBondContact O-N 2.86Å; S138-F140 VanDerWaalsContact C-N 3.31Å; S138-F140 PolarHBondContact O-N 3.19Å; S138-M141 PolarHBondContact O-N 2.93Å; S138-Q142 WeakPolarHBondContact O-CB 3.13Å; S138-Q142 PolarHBondContact O-N 3.45Å
139	S	94.6	Very high	93.6	Very high	74 Å²	74	61 Å²	61	52%	0.517	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-38.8	176.1	-58	0	0	0	0	111.9	L135 W136 Q142 S143	L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 3.21Å; L135-S139 PolarHBondContact O-OG 3.3Å; W136-S139 PolarHBondContact O-N 3.23Å; S139-Q142 PolarHBondContact O-N 3.26Å; S139-S143 WeakPolarHBondContact O-CB 3.48Å; S139-S143 PolarHBondContact O-N 3.02Å
140	F	93.5	Very high	93.9	Very high	69 Å²	69	61 Å²	61	30%	0.303	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-47.2	175.8	177.1	-108.1	0	0	0	110.8	W136 S137 S138 Q142 S143 K144	W136-F140 HydrophobicContact CH2-CD2 4.39Å; W136-F140 HydrophobicContact CH2-CG 4.34Å; W136-F140 HydrophobicContact CZ3-CB 4.41Å; W136-F140 HydrophobicContact CZ3-CG 4.49Å; W136-F140 VanDerWaalsContact O-CB 3.29Å; W136-F140 WeakPolarHBondContact O-CB 3.41Å; W136-F140 PolarHBondContact O-N 2.89Å; S137-F140 PolarHBondContact O-N 3.14Å; S138-F140 VanDerWaalsContact C-N 3.31Å; S138-F140 PolarHBondContact O-N 3.19Å; F140-Q142 VanDerWaalsContact C-N 3.33Å; F140-Q142 PolarHBondContact O-N 3.17Å; F140-S143 PolarHBondContact O-N 3.3Å; F140-S143 PolarHBondContact O-OG 3.25Å; F140-K144 HydrophobicContact CE1-CG 4.38Å; F140-K144 HydrophobicContact CZ-CD 4.43Å; F140-K144 HydrophobicContact CZ-CG 4.28Å; F140-K144 WeakPolarHBondContact O-CG 3.5Å; F140-K144 PolarHBondContact O-N 3.06Å
141	M	93.6	Very high	94.2	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-43.8	173.9	-73.7	-59.9	104	0	0	112.3	I117 S137 S138 S143 K144 A145 V273 W274	I117-M141 HydrophobicContact CG1-CB 3.93Å; S137-M141 WeakPolarHBondContact O-CG 3.34Å; S137-M141 PolarHBondContact O-N 2.85Å; S138-M141 PolarHBondContact O-N 2.93Å; M141-S143 VanDerWaalsContact C-N 3.33Å; M141-S143 PolarHBondContact O-N 3.22Å; M141-K144 WeakPolarHBondContact O-CB 3.4Å; M141-K144 PolarHBondContact O-N 3.21Å; M141-A145 PolarHBondContact O-N 2.72Å; M141-V273 HydrophobicContact CE-CG1 4.4Å; M141-V273 HydrophobicContact SD-CG1 4.23Å; M141-W274 HydrophobicContact CE-CD2 4.27Å; M141-W274 HydrophobicContact CE-CH2 3.47Å; M141-W274 VanDerWaalsContact CE-CH2 3.47Å; M141-W274 HydrophobicContact CE-CZ2 3.14Å; M141-W274 HydrophobicContact CE-CZ3 4.16Å; M141-W274 HydrophobicContact CG-CZ2 4.36Å; M141-W274 HydrophobicContact SD-CD2 4.49Å; M141-W274 HydrophobicContact SD-CH2 4.19Å; M141-W274 HydrophobicContact SD-CZ2 3.24Å; M141-W274 WeakPolarHBondContact SD-CZ2 3.22Å; M141-W274 PolarHBondContact SD-NE1 3.3Å; M141-W274 VanDerWaalsContact SD-NE1 3.44Å
142	Q	93.8	Very high	94.3	Very high	73 Å²	73	54.3 Å²	54.3	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-64.9	-38.4	177.5	-165.9	164.1	40.2	0	0	111.8	I117 S138 S139 F140 K144 A145 V146	I117-Q142 HydrophobicContact CD1-CB 4.39Å; I117-Q142 HydrophobicContact CD1-CG 4.45Å; I117-Q142 HydrophobicContact CG1-CB 4.47Å; I117-Q142 HydrophobicContact CG2-CB 4.36Å; S138-Q142 WeakPolarHBondContact O-CB 3.13Å; S138-Q142 PolarHBondContact O-N 3.45Å; S139-Q142 PolarHBondContact O-N 3.26Å; F140-Q142 VanDerWaalsContact C-N 3.33Å; F140-Q142 PolarHBondContact O-N 3.17Å; Q142-K144 VanDerWaalsContact C-N 3.3Å; Q142-K144 PolarHBondContact O-N 2.9Å; Q142-A145 WeakPolarHBondContact O-CB 3.5Å; Q142-A145 PolarHBondContact O-N 2.98Å; Q142-A145 VanDerWaalsContact O-N 3.13Å; Q142-V146 PolarHBondContact O-N 2.69Å
143	S	93	Very high	94.4	Very high	68 Å²	68	48.6 Å²	48.6	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-37	175.3	80.3	0	0	0	0	112.4	S139 F140 M141 V146	S139-S143 WeakPolarHBondContact O-CB 3.48Å; S139-S143 PolarHBondContact O-N 3.02Å; F140-S143 PolarHBondContact O-N 3.3Å; F140-S143 PolarHBondContact O-OG 3.25Å; M141-S143 VanDerWaalsContact C-N 3.33Å; M141-S143 PolarHBondContact O-N 3.22Å; S143-V146 WeakPolarHBondContact O-CB 3.23Å; S143-V146 PolarHBondContact O-N 2.88Å
144	K	89.7	Confident	94.5	Very high	72 Å²	72	47.9 Å²	47.9	31%	0.313	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-36	174.5	-67	-67.7	-171.9	173.9	0	111.7	F140 M141 Q142 V146 C147 V273	F140-K144 HydrophobicContact CE1-CG 4.38Å; F140-K144 HydrophobicContact CZ-CD 4.43Å; F140-K144 HydrophobicContact CZ-CG 4.28Å; F140-K144 WeakPolarHBondContact O-CG 3.5Å; F140-K144 PolarHBondContact O-N 3.06Å; M141-K144 WeakPolarHBondContact O-CB 3.4Å; M141-K144 PolarHBondContact O-N 3.21Å; Q142-K144 VanDerWaalsContact C-N 3.3Å; Q142-K144 PolarHBondContact O-N 2.9Å; K144-V146 PolarHBondContact O-N 3.25Å; K144-C147 PolarHBondContact O-N 3Å; K144-V273 HydrophobicContact CB-CB 4.14Å; K144-V273 HydrophobicContact CB-CG1 3.52Å; K144-V273 HydrophobicContact CB-CG2 3.85Å; K144-V273 HydrophobicContact CG-CG1 3.98Å
145	A	94.8	Very high	94.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-22.1	174.4	0	0	0	0	0	112.9	I117 M141 Q142 C147 L148 S149 Q168 L172	I117-A145 HydrophobicContact CD1-CB 4.21Å; M141-A145 PolarHBondContact O-N 2.72Å; Q142-A145 WeakPolarHBondContact O-CB 3.5Å; Q142-A145 PolarHBondContact O-N 2.98Å; Q142-A145 VanDerWaalsContact O-N 3.13Å; A145-C147 VanDerWaalsContact C-N 3.34Å; A145-C147 PolarHBondContact O-N 3.46Å; A145-L148 CarbonylContact O-C 3.08Å; A145-L148 PolarHBondContact O-N 3.08Å; A145-S149 WeakPolarHBondContact O-CB 3.21Å; A145-S149 PolarHBondContact O-N 2.8Å; A145-S149 PolarHBondContact O-OG 2.96Å; A145-Q168 HydrophobicContact CB-CB 4.01Å; A145-Q168 HydrophobicContact CB-CG 4.19Å; A145-L172 HydrophobicContact CB-CD1 3.97Å; A145-L172 HydrophobicContact CB-CD2 4.39Å; A145-L172 HydrophobicContact CB-CG 4.14Å
146	V	94.6	Very high	94.3	Very high	63 Å²	63	51.5 Å²	51.5	38%	0.382	28%	0.282	S	S	.	.	H	α-helix	trans	-60.7	-41	-179.9	175.9	0	0	0	0	112	Q142 S143 K144 L148 S149 N150	Q142-V146 PolarHBondContact O-N 2.69Å; S143-V146 WeakPolarHBondContact O-CB 3.23Å; S143-V146 PolarHBondContact O-N 2.88Å; K144-V146 PolarHBondContact O-N 3.25Å; V146-L148 VanDerWaalsContact C-N 3.32Å; V146-L148 PolarHBondContact O-N 3.15Å; V146-S149 PolarHBondContact O-N 3.33Å; V146-N150 VanDerWaalsContact O-CG 3.28Å; V146-N150 PolarHBondContact O-N 2.94Å; V146-N150 PolarHBondContact O-ND2 2.96Å
147	C	95.1	Very high	93.9	Very high	50 Å²	50	48.6 Å²	48.6	34%	0.338	27%	0.273	S	S	.	.	H	α-helix	trans	-57.9	-48.8	176.2	-175.6	0	0	0	0	110.7	K144 A145 N150 Q151 C271	K144-C147 PolarHBondContact O-N 3Å; A145-C147 VanDerWaalsContact C-N 3.34Å; A145-C147 PolarHBondContact O-N 3.46Å; C147-N150 PolarHBondContact O-N 2.97Å; C147-Q151 PolarHBondContact O-N 2.79Å; C147-Q151 VanDerWaalsContact O-N 3.08Å; C147-C271 HydrophobicContact CB-CB 3.8Å; C147-C271 WeakPolarHBondContact CB-SG 3.47Å; C147-C271 PolarHBondContact O-SG 3.39Å; C147-C271 WeakPolarHBondContact SG-CA 3.37Å; C147-C271 WeakPolarHBondContact SG-CB 3.4Å; C147-C271 CovalentContact SG-SG 2.04Å; C147-C271 PolarHBondContact SG-SG 3.14Å
148	L	95.9	Very high	93.8	Very high	2 Å²	2	47 Å²	47	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-41.3	177.8	-67.3	166.3	0	0	0	110.9	A145 V146 N150 Q151 Y152 I171 L172 N249 C271 V273	A145-L148 CarbonylContact O-C 3.08Å; A145-L148 PolarHBondContact O-N 3.08Å; V146-L148 VanDerWaalsContact C-N 3.32Å; V146-L148 PolarHBondContact O-N 3.15Å; L148-N150 VanDerWaalsContact C-N 3.3Å; L148-N150 PolarHBondContact O-N 2.79Å; L148-Q151 WeakPolarHBondContact O-CB 3.29Å; L148-Q151 PolarHBondContact O-N 3.3Å; L148-Q151 VanDerWaalsContact O-N 3.08Å; L148-Y152 HydrophobicContact CD2-CE2 4.37Å; L148-Y152 VanDerWaalsContact O-CD2 3.25Å; L148-Y152 WeakPolarHBondContact O-CD2 3.37Å; L148-Y152 PolarHBondContact O-N 3.41Å; L148-I171 HydrophobicContact CB-CG2 3.76Å; L148-I171 HydrophobicContact CD1-CG2 4.05Å; L148-I171 HydrophobicContact CD2-CG2 4.33Å; L148-I171 HydrophobicContact CG-CG2 4.26Å; L148-L172 HydrophobicContact CD1-CD2 3.87Å; L148-N249 VanDerWaalsContact CD2-ND2 3.26Å; L148-N249 WeakPolarHBondContact CD2-ND2 3.5Å; L148-C271 HydrophobicContact CD2-CB 3.54Å; L148-C271 HydrophobicContact CG-CB 3.81Å; L148-V273 HydrophobicContact CD1-CG2 3.83Å
149	S	95.5	Very high	93.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-43.8	178.5	-53.7	0	0	0	0	110.9	A145 V146 Y152 S153 A162 Q168	A145-S149 WeakPolarHBondContact O-CB 3.21Å; A145-S149 PolarHBondContact O-N 2.8Å; A145-S149 PolarHBondContact O-OG 2.96Å; V146-S149 PolarHBondContact O-N 3.33Å; S149-Y152 PolarHBondContact O-N 3.12Å; S149-S153 VanDerWaalsContact O-CB 3.23Å; S149-S153 WeakPolarHBondContact O-CB 3.19Å; S149-S153 PolarHBondContact O-N 2.77Å; S149-S153 PolarHBondContact O-OG 3.44Å; S149-A162 VanDerWaalsContact CB-O 3.28Å; S149-A162 WeakPolarHBondContact CB-O 3.28Å; S149-A162 PolarHBondContact OG-O 2.89Å; S149-A162 VanDerWaalsContact OG-O 3.09Å; S149-Q168 PolarHBondContact OG-NE2 3.25Å
150	N	95.5	Very high	93.1	Very high	88 Å²	88	51.6 Å²	51.6	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-65.4	-38.2	175.9	-68.9	-23.4	0	0	0	112.5	V146 C147 L148 S153 F163	V146-N150 VanDerWaalsContact O-CG 3.28Å; V146-N150 PolarHBondContact O-N 2.94Å; V146-N150 PolarHBondContact O-ND2 2.96Å; C147-N150 PolarHBondContact O-N 2.97Å; L148-N150 VanDerWaalsContact C-N 3.3Å; L148-N150 PolarHBondContact O-N 2.79Å; N150-S153 PolarHBondContact O-OG 3.12Å; N150-F163 VanDerWaalsContact OD1-CZ 3.28Å; N150-F163 WeakPolarHBondContact OD1-CZ 3.26Å
151	Q	95.5	Very high	93.1	Very high	28 Å²	28	48.4 Å²	48.4	13%	0.131	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-52.6	174.1	177.7	-164.8	-25.8	0	0	110.5	C147 L148 S153 S154 Y155 G245 N249	C147-Q151 PolarHBondContact O-N 2.79Å; C147-Q151 VanDerWaalsContact O-N 3.08Å; L148-Q151 WeakPolarHBondContact O-CB 3.29Å; L148-Q151 PolarHBondContact O-N 3.3Å; L148-Q151 VanDerWaalsContact O-N 3.08Å; Q151-S153 VanDerWaalsContact C-N 3.34Å; Q151-S153 PolarHBondContact O-N 3.22Å; Q151-S154 PolarHBondContact O-N 2.99Å; Q151-S154 PolarHBondContact O-OG 2.96Å; Q151-Y155 HydrophobicContact CG-CE2 4.44Å; Q151-Y155 PolarHBondContact NE2-OH 2.69Å; Q151-G245 PolarHBondContact NE2-O 3.3Å; Q151-N249 PolarHBondContact OE1-ND2 2.79Å; Q151-N249 PolarHBondContact OE1-OD1 2.95Å
152	Y	95.9	Very high	93.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.5	-27.9	-175.4	-81.2	-96.3	0	0	0	112.1	L148 S149 S154 Y155 T158 I171 V237 F241 G245 V246	L148-Y152 HydrophobicContact CD2-CE2 4.37Å; L148-Y152 VanDerWaalsContact O-CD2 3.25Å; L148-Y152 WeakPolarHBondContact O-CD2 3.37Å; L148-Y152 PolarHBondContact O-N 3.41Å; S149-Y152 PolarHBondContact O-N 3.12Å; Y152-S154 PolarHBondContact O-N 3.12Å; Y152-Y155 AromaticContact CD1-CD2 3.81Å; Y152-Y155 HydrophobicContact CD1-CD2 3.81Å; Y152-Y155 AromaticContact CD1-CE2 3.96Å; Y152-Y155 HydrophobicContact CD1-CE2 3.96Å; Y152-Y155 HydrophobicContact CE1-CD2 4.36Å; Y152-Y155 HydrophobicContact CE1-CE2 4.2Å; Y152-Y155 HydrophobicContact CG-CD2 4.23Å; Y152-Y155 HydrophobicContact CG-CE2 4.22Å; Y152-Y155 PolarHBondContact O-N 3.47Å; Y152-T158 VanDerWaalsContact O-CB 3.31Å; Y152-T158 WeakPolarHBondContact O-CB 3.44Å; Y152-T158 PolarHBondContact O-OG1 3.27Å; Y152-I171 HydrophobicContact CD1-CD1 3.99Å; Y152-I171 HydrophobicContact CD1-CG1 4.31Å; Y152-I171 HydrophobicContact CD2-CD1 3.94Å; Y152-I171 HydrophobicContact CD2-CG1 4.34Å; Y152-I171 HydrophobicContact CD2-CG2 3.72Å; Y152-I171 HydrophobicContact CE1-CD1 4.47Å; Y152-I171 HydrophobicContact CE1-CG1 4.29Å; Y152-I171 HydrophobicContact CE2-CB 4.47Å; Y152-I171 HydrophobicContact CE2-CD1 4.41Å; Y152-I171 HydrophobicContact CE2-CG1 4.32Å; Y152-I171 HydrophobicContact CE2-CG2 3.35Å; Y152-I171 HydrophobicContact CG-CD1 3.68Å; Y152-I171 HydrophobicContact CG-CG1 4.31Å; Y152-I171 HydrophobicContact CG-CG2 4.49Å; Y152-V237 HydrophobicContact CD1-CB 4.42Å; Y152-V237 HydrophobicContact CD1-CG1 4.01Å; Y152-V237 HydrophobicContact CD1-CG2 4.12Å; Y152-V237 HydrophobicContact CE1-CG1 4.46Å; Y152-V237 HydrophobicContact CE1-CG2 3.76Å; Y152-F241 HydrophobicContact CD1-CB 4.36Å; Y152-F241 HydrophobicContact CE1-CB 4.08Å; Y152-F241 WeakPolarHBondContact CE1-O 3.44Å; Y152-F241 PolarHBondContact OH-O 3.38Å; Y152-G245 WeakPolarHBondContact OH-CA 3.48Å; Y152-V246 PolarHBondContact OH-N 2.84Å
153	S	95.5	Very high	93.1	Very high	37 Å²	37	49.9 Å²	49.9	26%	0.259	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-19.4	176.8	68.8	0	0	0	0	113.5	S149 N150 Q151 Y155	S149-S153 VanDerWaalsContact O-CB 3.23Å; S149-S153 WeakPolarHBondContact O-CB 3.19Å; S149-S153 PolarHBondContact O-N 2.77Å; S149-S153 PolarHBondContact O-OG 3.44Å; N150-S153 PolarHBondContact O-OG 3.12Å; Q151-S153 VanDerWaalsContact C-N 3.34Å; Q151-S153 PolarHBondContact O-N 3.22Å; S153-Y155 VanDerWaalsContact C-N 3.33Å
154	S	94.3	Very high	93.2	Very high	88 Å²	88	50.6 Å²	50.6	62%	0.615	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-12	174.8	75.8	0	0	0	0	114.3	Q151 Y152	Q151-S154 PolarHBondContact O-N 2.99Å; Q151-S154 PolarHBondContact O-OG 2.96Å; Y152-S154 PolarHBondContact O-N 3.12Å
155	Y	93.5	Very high	93.5	Very high	49 Å²	49	49.4 Å²	49.4	19%	0.192	27%	0.271	C	S	.	.	S	Bend	trans	-85.1	153.6	179	-58.2	-27	0	0	0	111.4	Q151 Y152 S153 T158 F241	Q151-Y155 HydrophobicContact CG-CE2 4.44Å; Q151-Y155 PolarHBondContact NE2-OH 2.69Å; Y152-Y155 AromaticContact CD1-CD2 3.81Å; Y152-Y155 HydrophobicContact CD1-CD2 3.81Å; Y152-Y155 AromaticContact CD1-CE2 3.96Å; Y152-Y155 HydrophobicContact CD1-CE2 3.96Å; Y152-Y155 HydrophobicContact CE1-CD2 4.36Å; Y152-Y155 HydrophobicContact CE1-CE2 4.2Å; Y152-Y155 HydrophobicContact CG-CD2 4.23Å; Y152-Y155 HydrophobicContact CG-CE2 4.22Å; Y152-Y155 PolarHBondContact O-N 3.47Å; S153-Y155 VanDerWaalsContact C-N 3.33Å; Y155-T158 VanDerWaalsContact C-OG1 3.28Å; Y155-T158 WeakPolarHBondContact CB-OG1 3.21Å; Y155-T158 PolarHBondContact O-OG1 3.3Å; Y155-F241 HydrophobicContact CD1-CD1 4.31Å; Y155-F241 HydrophobicContact CD1-CE1 4.22Å; Y155-F241 HydrophobicContact CD2-CB 3.98Å; Y155-F241 AromaticContact CD2-CD1 3.45Å; Y155-F241 HydrophobicContact CD2-CD1 3.45Å; Y155-F241 VanDerWaalsContact CD2-CD1 3.45Å; Y155-F241 HydrophobicContact CD2-CE1 4.09Å; Y155-F241 AromaticContact CD2-CG 3.77Å; Y155-F241 HydrophobicContact CD2-CG 3.77Å; Y155-F241 HydrophobicContact CE2-CD1 4.1Å; Y155-F241 AromaticContact CG-CD1 3.58Å; Y155-F241 HydrophobicContact CG-CD1 3.58Å; Y155-F241 AromaticContact CG-CE1 3.71Å; Y155-F241 HydrophobicContact CG-CE1 3.71Å; Y155-F241 HydrophobicContact CG-CG 4.15Å; Y155-F241 HydrophobicContact CG-CZ 4.38Å
156	N	90.3	Very high	93.5	Very high	119 Å²	119	53.2 Å²	53.2	64%	0.636	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	142.5	176.2	-71.3	-6.2	0	0	0	110	T158 F241	N156-T158 PolarHBondContact O-N 3.03Å; N156-F241 WeakPolarHBondContact O-CE2 3.36Å
157	F	88.8	Confident	93.5	Very high	86 Å²	86	50.2 Å²	50.2	38%	0.377	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	14.6	177.3	-50	-75.4	0	0	0	115.8	L227 S231 L238	F157-L227 HydrophobicContact CD1-CB 4.24Å; F157-L227 HydrophobicContact CE1-CB 4.09Å; F157-L227 HydrophobicContact CE2-CB 4.45Å; F157-L227 HydrophobicContact CE2-CD1 4.12Å; F157-L227 HydrophobicContact CG-CB 4.49Å; F157-L227 HydrophobicContact CZ-CB 4.2Å; F157-L227 HydrophobicContact CZ-CD1 4.18Å; F157-S231 WeakPolarHBondContact O-CA 3.47Å; F157-S231 VanDerWaalsContact O-CB 3.28Å; F157-S231 WeakPolarHBondContact O-CB 3.38Å; F157-L238 HydrophobicContact CB-CD1 4.02Å; F157-L238 HydrophobicContact CD2-CD1 4.1Å; F157-L238 HydrophobicContact CG-CD1 4.39Å
158	T	90.8	Very high	93.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-17.1	178.5	52	0	0	0	0	113	Y152 Y155 N156 L160 K161 A162 V237 F241	Y152-T158 VanDerWaalsContact O-CB 3.31Å; Y152-T158 WeakPolarHBondContact O-CB 3.44Å; Y152-T158 PolarHBondContact O-OG1 3.27Å; Y155-T158 VanDerWaalsContact C-OG1 3.28Å; Y155-T158 WeakPolarHBondContact CB-OG1 3.21Å; Y155-T158 PolarHBondContact O-OG1 3.3Å; N156-T158 PolarHBondContact O-N 3.03Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.09Å; T158-K161 PolarHBondContact O-N 3.41Å; T158-K161 VanDerWaalsContact O-N 3.07Å; T158-A162 WeakPolarHBondContact O-CB 3.45Å; T158-A162 PolarHBondContact O-N 3.17Å; T158-V237 HydrophobicContact CG2-CB 4.01Å; T158-V237 HydrophobicContact CG2-CG1 3.85Å; T158-F241 HydrophobicContact CG2-CD2 3.86Å; T158-F241 HydrophobicContact CG2-CE2 4.38Å
159	S	88	Confident	93.5	Very high	70 Å²	70	48.8 Å²	48.8	49%	0.49	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.4	-174.7	57.9	0	0	0	0	114	K161	S159-K161 VanDerWaalsContact C-N 3.3Å; S159-K161 PolarHBondContact O-N 3.45Å
160	L	88.7	Confident	93.6	Very high	117 Å²	117	49 Å²	49	61%	0.613	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.4	-179.5	-64.9	177.9	0	0	0	113.9	T158 Q164 V232	T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.09Å; L160-Q164 PolarHBondContact O-NE2 3.17Å; L160-V232 HydrophobicContact CD1-CG2 3.98Å
161	K	92.8	Very high	93.6	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-14.2	-172.4	67	173.4	-174.6	-172.6	0	115.3	T158 S159 F163 Q164 T167 D230 Q234 H236	T158-K161 PolarHBondContact O-N 3.41Å; T158-K161 VanDerWaalsContact O-N 3.07Å; S159-K161 VanDerWaalsContact C-N 3.3Å; S159-K161 PolarHBondContact O-N 3.45Å; K161-F163 PolarHBondContact O-N 2.62Å; K161-Q164 HydrophobicContact CB-CG 4.39Å; K161-Q164 WeakPolarHBondContact O-CB 3.35Å; K161-Q164 PolarHBondContact O-N 3.48Å; K161-T167 HydrophobicContact CB-CG2 4.42Å; K161-T167 HydrophobicContact CD-CG2 4.28Å; K161-T167 HydrophobicContact CG-CG2 4.07Å; K161-T167 WeakPolarHBondContact O-CB 3.43Å; K161-T167 WeakPolarHBondContact O-CG2 3.48Å; K161-T167 PolarHBondContact O-OG1 2.69Å; K161-D230 PolarHBondContact NZ-O 3.48Å; K161-Q234 WeakPolarHBondContact CD-O 3.21Å; K161-Q234 PolarHBondContact NZ-O 3.28Å; K161-H236 PolarHBondContact NZ-O 3.25Å
162	A	93.6	Very high	93.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.7	-177.7	0	0	0	0	0	114	S149 T158 Q168	S149-A162 VanDerWaalsContact CB-O 3.28Å; S149-A162 WeakPolarHBondContact CB-O 3.28Å; S149-A162 PolarHBondContact OG-O 2.89Å; S149-A162 VanDerWaalsContact OG-O 3.09Å; T158-A162 WeakPolarHBondContact O-CB 3.45Å; T158-A162 PolarHBondContact O-N 3.17Å; A162-Q168 WeakPolarHBondContact O-CG 3.15Å
163	F	94.4	Very high	93.7	Very high	107 Å²	107	43.9 Å²	43.9	47%	0.469	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-0.3	177	-64	-83.8	0	0	0	114.4	N150 K161	N150-F163 VanDerWaalsContact OD1-CZ 3.28Å; N150-F163 WeakPolarHBondContact OD1-CZ 3.26Å; K161-F163 PolarHBondContact O-N 2.62Å
164	Q	95	Very high	93.8	Very high	83 Å²	83	42.1 Å²	42.1	39%	0.388	22%	0.223	S	C	.	.	S	Bend	trans	-75.8	133.7	173.7	-64.2	178.3	26.8	0	0	109.4	L160 K161 D166 T167 Q168	L160-Q164 PolarHBondContact O-NE2 3.17Å; K161-Q164 HydrophobicContact CB-CG 4.39Å; K161-Q164 WeakPolarHBondContact O-CB 3.35Å; K161-Q164 PolarHBondContact O-N 3.48Å; Q164-D166 PolarHBondContact O-N 3.21Å; Q164-D166 VanDerWaalsContact O-N 3.14Å; Q164-T167 PolarHBondContact O-N 3.07Å; Q164-Q168 WeakPolarHBondContact O-CG 3.37Å; Q164-Q168 PolarHBondContact O-N 3.4Å
165	T	94.6	Very high	93.9	Very high	48 Å²	48	38.7 Å²	38.7	29%	0.294	20%	0.198	S	C	.	.	H	α-helix	trans	-52.1	-41.8	-175.8	-53.5	0	0	0	0	112.7	I117 T167 Q168 E169	I117-T165 HydrophobicContact CD1-CG2 4.5Å; I117-T165 HydrophobicContact CG2-CG2 3.97Å; T165-T167 PolarHBondContact O-N 2.82Å; T165-Q168 WeakPolarHBondContact O-CB 3.31Å; T165-Q168 PolarHBondContact O-N 2.74Å; T165-E169 WeakPolarHBondContact O-CB 3.39Å; T165-E169 PolarHBondContact O-N 3.22Å
166	D	94.5	Very high	94	Very high	80 Å²	80	36.8 Å²	36.8	43%	0.428	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-40.6	-177.4	-64.2	11.6	0	0	0	111.5	K118 Q164 E169 E170 P235	K118-D166 WeakPolarHBondContact CE-OD1 3.44Å; K118-D166 IonicContact NZ-OD1 2.59Å; K118-D166 PolarHBondContact NZ-OD1 3.35Å; K118-D166 IonicContact NZ-OD2 3.83Å; Q164-D166 PolarHBondContact O-N 3.21Å; Q164-D166 VanDerWaalsContact O-N 3.14Å; D166-E169 PolarHBondContact O-N 2.63Å; D166-E170 PolarHBondContact O-N 3.33Å; D166-P235 HydrophobicContact CB-CB 3.89Å
167	T	95.4	Very high	94.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.6	-39.6	175.8	-59.9	0	0	0	0	111.5	K161 Q164 T165 E169 E170 I171 P235 V237	K161-T167 HydrophobicContact CB-CG2 4.42Å; K161-T167 HydrophobicContact CD-CG2 4.28Å; K161-T167 HydrophobicContact CG-CG2 4.07Å; K161-T167 WeakPolarHBondContact O-CB 3.43Å; K161-T167 WeakPolarHBondContact O-CG2 3.48Å; K161-T167 PolarHBondContact O-OG1 2.69Å; Q164-T167 PolarHBondContact O-N 3.07Å; T165-T167 PolarHBondContact O-N 2.82Å; T167-E169 PolarHBondContact O-N 3.27Å; T167-E170 PolarHBondContact O-N 3.47Å; T167-I171 HydrophobicContact CG2-CD1 3.72Å; T167-I171 HydrophobicContact CG2-CG1 4.31Å; T167-I171 WeakPolarHBondContact O-CB 3.45Å; T167-I171 VanDerWaalsContact O-CG1 3.28Å; T167-I171 WeakPolarHBondContact O-CG1 3.48Å; T167-I171 PolarHBondContact O-N 3.22Å; T167-P235 VanDerWaalsContact CA-O 3.31Å; T167-P235 WeakPolarHBondContact CA-O 3.5Å; T167-P235 WeakPolarHBondContact CB-O 3.35Å; T167-P235 WeakPolarHBondContact CG2-O 3.41Å; T167-P235 PolarHBondContact OG1-O 3.43Å; T167-P235 VanDerWaalsContact OG1-O 3.1Å; T167-V237 HydrophobicContact CG2-CG1 3.91Å
168	Q	95.8	Very high	94.8	Very high	8 Å²	8	27 Å²	27	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-39.8	174.1	-72	-179.4	-34.3	0	0	111.3	I117 A145 S149 A162 Q164 T165 I171 L172	I117-Q168 HydrophobicContact CD1-CB 3.74Å; A145-Q168 HydrophobicContact CB-CB 4.01Å; A145-Q168 HydrophobicContact CB-CG 4.19Å; S149-Q168 PolarHBondContact OG-NE2 3.25Å; A162-Q168 WeakPolarHBondContact O-CG 3.15Å; Q164-Q168 WeakPolarHBondContact O-CG 3.37Å; Q164-Q168 PolarHBondContact O-N 3.4Å; T165-Q168 WeakPolarHBondContact O-CB 3.31Å; T165-Q168 PolarHBondContact O-N 2.74Å; Q168-I171 PolarHBondContact O-N 3.46Å; Q168-L172 WeakPolarHBondContact O-CB 3.41Å; Q168-L172 VanDerWaalsContact O-CG 3.23Å; Q168-L172 WeakPolarHBondContact O-CG 3.42Å; Q168-L172 PolarHBondContact O-N 2.79Å
169	E	95.5	Very high	95.1	Very high	15 Å²	15	29 Å²	29	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-41.7	179.5	-160.3	145.2	-153.1	0	0	112.1	I117 K118 T165 D166 T167 L172 A173	I117-E169 PolarHBondContact N-OE1 3.17Å; K118-E169 WeakPolarHBondContact CB-OE1 3.31Å; K118-E169 WeakPolarHBondContact CD-OE2 3.39Å; K118-E169 VanDerWaalsContact CE-OE2 3.3Å; K118-E169 WeakPolarHBondContact CE-OE2 3.39Å; K118-E169 WeakPolarHBondContact CG-OE2 3.25Å; K118-E169 PolarHBondContact N-OE1 2.67Å; T165-E169 WeakPolarHBondContact O-CB 3.39Å; T165-E169 PolarHBondContact O-N 3.22Å; D166-E169 PolarHBondContact O-N 2.63Å; T167-E169 PolarHBondContact O-N 3.27Å; E169-L172 PolarHBondContact O-N 2.52Å; E169-A173 WeakPolarHBondContact O-CB 3.42Å; E169-A173 PolarHBondContact O-N 3.06Å
170	E	96.4	Very high	95.6	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.023	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-42.7	172.8	-62.6	-54.5	159	0	0	112.3	H109 R113 D166 T167 L172 A173 D174 P235 H236	H109-E170 IonicContact CE1-OE2 3.69Å; H109-E170 PolarHBondContact CE1-OE2 2.82Å; H109-E170 VanDerWaalsContact CE1-OE2 3.3Å; H109-E170 IonicContact NE2-OE2 2.93Å; H109-E170 PolarHBondContact NE2-OE2 3.44Å; R113-E170 IonicContact CZ-OE1 2.62Å; R113-E170 IonicContact NE-OE1 3.48Å; R113-E170 IonicContact NH1-OE1 3.63Å; R113-E170 IonicContact NH2-OE1 3.77Å; R113-E170 PolarHBondContact NH2-OE1 3.12Å; D166-E170 PolarHBondContact O-N 3.33Å; T167-E170 PolarHBondContact O-N 3.47Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 2.79Å; E170-A173 PolarHBondContact O-N 3Å; E170-D174 WeakPolarHBondContact O-CB 3.44Å; E170-D174 PolarHBondContact O-N 3.16Å; E170-P235 HydrophobicContact CG-CB 4.06Å; E170-P235 HydrophobicContact CG-CG 4.46Å; E170-H236 IonicContact OE1-NE2 3.22Å; E170-H236 IonicContact OE2-CD2 3.77Å; E170-H236 IonicContact OE2-CE1 3.45Å; E170-H236 IonicContact OE2-NE2 3.7Å; E170-H236 PolarHBondContact OE2-NE2 3.32Å
171	I	96	Very high	96	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-63.4	-40.3	178.1	-69.2	166.6	0	0	0	110.8	L148 Y152 T167 Q168 N175 V237	L148-I171 HydrophobicContact CB-CG2 3.76Å; L148-I171 HydrophobicContact CD1-CG2 4.05Å; L148-I171 HydrophobicContact CD2-CG2 4.33Å; L148-I171 HydrophobicContact CG-CG2 4.26Å; Y152-I171 HydrophobicContact CD1-CD1 3.99Å; Y152-I171 HydrophobicContact CD1-CG1 4.31Å; Y152-I171 HydrophobicContact CD2-CD1 3.94Å; Y152-I171 HydrophobicContact CD2-CG1 4.34Å; Y152-I171 HydrophobicContact CD2-CG2 3.72Å; Y152-I171 HydrophobicContact CE1-CD1 4.47Å; Y152-I171 HydrophobicContact CE1-CG1 4.29Å; Y152-I171 HydrophobicContact CE2-CB 4.47Å; Y152-I171 HydrophobicContact CE2-CD1 4.41Å; Y152-I171 HydrophobicContact CE2-CG1 4.32Å; Y152-I171 HydrophobicContact CE2-CG2 3.35Å; Y152-I171 HydrophobicContact CG-CD1 3.68Å; Y152-I171 HydrophobicContact CG-CG1 4.31Å; Y152-I171 HydrophobicContact CG-CG2 4.49Å; T167-I171 HydrophobicContact CG2-CD1 3.72Å; T167-I171 HydrophobicContact CG2-CG1 4.31Å; T167-I171 WeakPolarHBondContact O-CB 3.45Å; T167-I171 VanDerWaalsContact O-CG1 3.28Å; T167-I171 WeakPolarHBondContact O-CG1 3.48Å; T167-I171 PolarHBondContact O-N 3.22Å; Q168-I171 PolarHBondContact O-N 3.46Å; I171-N175 PolarHBondContact O-N 2.93Å; I171-N175 VanDerWaalsContact O-N 3.12Å; I171-N175 PolarHBondContact O-ND2 3.44Å; I171-V237 HydrophobicContact CD1-CG1 4.02Å; I171-V237 HydrophobicContact CG1-CG1 4.2Å
172	L	96.5	Very high	96.3	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-62.2	-47.9	173.8	-80.2	173.5	0	0	0	111.2	I117 A145 L148 Q168 E169 E170 D174 N175 N176 V273	I117-L172 HydrophobicContact CD1-CD1 3.74Å; I117-L172 HydrophobicContact CG1-CD1 3.64Å; A145-L172 HydrophobicContact CB-CD1 3.97Å; A145-L172 HydrophobicContact CB-CD2 4.39Å; A145-L172 HydrophobicContact CB-CG 4.14Å; L148-L172 HydrophobicContact CD1-CD2 3.87Å; Q168-L172 WeakPolarHBondContact O-CB 3.41Å; Q168-L172 VanDerWaalsContact O-CG 3.23Å; Q168-L172 WeakPolarHBondContact O-CG 3.42Å; Q168-L172 PolarHBondContact O-N 2.79Å; E169-L172 PolarHBondContact O-N 2.52Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 2.79Å; L172-D174 VanDerWaalsContact C-N 3.33Å; L172-D174 PolarHBondContact O-N 3.43Å; L172-N175 PolarHBondContact O-N 3.4Å; L172-N176 VanDerWaalsContact O-CB 3.3Å; L172-N176 WeakPolarHBondContact O-CB 3.44Å; L172-N176 VanDerWaalsContact O-CG 3.29Å; L172-N176 PolarHBondContact O-N 2.64Å; L172-N176 PolarHBondContact O-ND2 3.29Å; L172-V273 HydrophobicContact CD2-CB 4.01Å; L172-V273 HydrophobicContact CD2-CG1 3.71Å; L172-V273 HydrophobicContact CD2-CG2 3.62Å
173	A	96.9	Very high	96.4	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-40.3	179.4	0	0	0	0	0	111.8	H109 M112 R113 E169 E170 G177	H109-A173 WeakPolarHBondContact CE1-CB 3.47Å; H109-A173 VanDerWaalsContact ND1-C 3.33Å; H109-A173 WeakPolarHBondContact ND1-CB 3.4Å; M112-A173 HydrophobicContact CB-CB 4.17Å; R113-A173 HydrophobicContact CG-CB 4.08Å; E169-A173 WeakPolarHBondContact O-CB 3.42Å; E169-A173 PolarHBondContact O-N 3.06Å; E170-A173 PolarHBondContact O-N 3Å; A173-G177 VanDerWaalsContact O-CA 3.22Å; A173-G177 WeakPolarHBondContact O-CA 3.22Å; A173-G177 PolarHBondContact O-N 3.18Å
174	D	97.5	Very high	96.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-51.2	176.4	-84.6	-8.8	0	0	0	111.7	W105 H109 E170 L172 L178 R242 V246	W105-D174 VanDerWaalsContact CZ2-OD1 3.27Å; W105-D174 WeakPolarHBondContact CZ2-OD1 3.28Å; W105-D174 PolarHBondContact NE1-O 2.85Å; H109-D174 IonicContact CE1-OD1 3.32Å; H109-D174 PolarHBondContact CE1-OD1 2.79Å; H109-D174 PolarHBondContact ND1-N 2.81Å; H109-D174 IonicContact ND1-OD1 2.93Å; H109-D174 PolarHBondContact ND1-OD1 3.25Å; E170-D174 WeakPolarHBondContact O-CB 3.44Å; E170-D174 PolarHBondContact O-N 3.16Å; L172-D174 VanDerWaalsContact C-N 3.33Å; L172-D174 PolarHBondContact O-N 3.43Å; D174-L178 PolarHBondContact O-N 2.95Å; D174-L178 VanDerWaalsContact O-N 3.12Å; D174-R242 IonicContact OD1-CZ 3.75Å; D174-R242 IonicContact OD1-NE 2.85Å; D174-R242 PolarHBondContact OD1-NE 2.88Å; D174-R242 IonicContact OD1-NH2 3.25Å; D174-R242 PolarHBondContact OD1-NH2 3.26Å; D174-R242 WeakPolarHBondContact OD2-CG 3.34Å; D174-R242 IonicContact OD2-CZ 3.64Å; D174-R242 IonicContact OD2-NE 3.78Å; D174-R242 PolarHBondContact OD2-NE 2.65Å; D174-R242 IonicContact OD2-NH2 3.19Å; D174-V246 HydrophobicContact CB-CG2 3.67Å
175	N	97.2	Very high	96.7	Very high	16 Å²	16	20.9 Å²	20.9	9%	0.086	11%	0.108	C	C	.	.	H	α-helix	trans	-67.7	-50.9	-176.8	-80.4	-95.8	0	0	0	111.7	I171 L172 K179 N249	I171-N175 PolarHBondContact O-N 2.93Å; I171-N175 VanDerWaalsContact O-N 3.12Å; I171-N175 PolarHBondContact O-ND2 3.44Å; L172-N175 PolarHBondContact O-N 3.4Å; N175-K179 PolarHBondContact O-N 2.82Å; N175-N249 PolarHBondContact OD1-ND2 3.3Å; N175-N249 VanDerWaalsContact OD1-ND2 3.15Å
176	N	96.4	Very high	96.7	Very high	8 Å²	8	21.8 Å²	21.8	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-72.6	-34.4	-176.6	-62.3	-41.2	0	0	0	111.1	M112 L172 K179 A180 W274	M112-N176 HydrophobicContact CG-CB 3.8Å; M112-N176 HydrophobicContact SD-CB 3.66Å; L172-N176 VanDerWaalsContact O-CB 3.3Å; L172-N176 WeakPolarHBondContact O-CB 3.44Å; L172-N176 VanDerWaalsContact O-CG 3.29Å; L172-N176 PolarHBondContact O-N 2.64Å; L172-N176 PolarHBondContact O-ND2 3.29Å; N176-K179 PolarHBondContact O-N 2.81Å; N176-A180 WeakPolarHBondContact O-CB 3.5Å; N176-A180 PolarHBondContact O-N 3.08Å; N176-W274 VanDerWaalsContact ND2-CD1 3.26Å; N176-W274 PolarHBondContact OD1-N 3.43Å
177	G	97.5	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-43.2	176.4	0	0	0	0	0	111.7	S108 A173 K179 A180 S181	S108-G177 WeakPolarHBondContact CB-O 3.13Å; A173-G177 VanDerWaalsContact O-CA 3.22Å; A173-G177 WeakPolarHBondContact O-CA 3.22Å; A173-G177 PolarHBondContact O-N 3.18Å; G177-K179 VanDerWaalsContact C-N 3.34Å; G177-K179 PolarHBondContact O-N 3.1Å; G177-A180 PolarHBondContact O-N 3.08Å; G177-S181 WeakPolarHBondContact O-CB 3.05Å; G177-S181 PolarHBondContact O-N 3.31Å
178	L	97.9	Very high	96.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-40.8	177	-170	68.9	0	0	0	111.4	W105 D174 S181 F182 F210 F211 F214 V246 L247	W105-L178 HydrophobicContact CB-CD1 4.28Å; W105-L178 HydrophobicContact CG-CD1 4.2Å; D174-L178 PolarHBondContact O-N 2.95Å; D174-L178 VanDerWaalsContact O-N 3.12Å; L178-S181 PolarHBondContact O-N 3.4Å; L178-F182 WeakPolarHBondContact O-CB 3.45Å; L178-F182 PolarHBondContact O-N 3.3Å; L178-F210 HydrophobicContact CD1-CE1 3.63Å; L178-F210 HydrophobicContact CD1-CZ 3.82Å; L178-F210 HydrophobicContact CG-CE1 4.21Å; L178-F211 HydrophobicContact CD2-CD1 4.34Å; L178-F211 HydrophobicContact CD2-CE1 4.26Å; L178-F214 HydrophobicContact CD1-CB 3.97Å; L178-F214 HydrophobicContact CD1-CD1 3.96Å; L178-F214 HydrophobicContact CD1-CD2 3.62Å; L178-F214 HydrophobicContact CD1-CE1 4.37Å; L178-F214 HydrophobicContact CD1-CE2 4.08Å; L178-F214 HydrophobicContact CD1-CG 3.54Å; L178-F214 HydrophobicContact CD1-CZ 4.43Å; L178-F214 HydrophobicContact CD2-CD1 3.91Å; L178-F214 HydrophobicContact CD2-CE1 3.8Å; L178-F214 HydrophobicContact CD2-CG 4.36Å; L178-F214 HydrophobicContact CD2-CZ 4.17Å; L178-V246 HydrophobicContact CB-CG1 3.82Å; L178-V246 HydrophobicContact CD2-CG1 3.37Å; L178-V246 HydrophobicContact CG-CG1 4.22Å; L178-L247 HydrophobicContact CD2-CD2 3.94Å
179	K	97	Very high	96.5	Very high	41 Å²	41	30.1 Å²	30.1	18%	0.178	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-51.6	176.1	-171.9	172.9	178.9	-174.7	0	110.6	N175 N176 G177 S181 F182 Y183 D272 W274	N175-K179 PolarHBondContact O-N 2.82Å; N176-K179 PolarHBondContact O-N 2.81Å; G177-K179 VanDerWaalsContact C-N 3.34Å; G177-K179 PolarHBondContact O-N 3.1Å; K179-S181 PolarHBondContact O-N 2.81Å; K179-F182 PolarHBondContact O-N 3.17Å; K179-Y183 HydrophobicContact CD-CE2 4.24Å; K179-Y183 HydrophobicContact CG-CD2 3.82Å; K179-Y183 HydrophobicContact CG-CE2 3.49Å; K179-Y183 VanDerWaalsContact CG-CE2 3.49Å; K179-Y183 WeakPolarHBondContact O-CD2 3.11Å; K179-Y183 PolarHBondContact O-N 3.41Å; K179-D272 IonicContact NZ-OD1 3.21Å; K179-D272 PolarHBondContact NZ-OD1 3.28Å; K179-D272 IonicContact NZ-OD2 4Å; K179-D272 PolarHBondContact NZ-OD2 3.12Å; K179-W274 WeakPolarHBondContact CD-O 3.3Å; K179-W274 WeakPolarHBondContact CE-O 3.36Å; K179-W274 VanDerWaalsContact NZ-C 3.33Å; K179-W274 PolarHBondContact NZ-O 3.32Å; K179-W274 PolarHBondContact NZ-OXT 2.94Å
180	A	97.4	Very high	96.3	Very high	27 Å²	27	35.4 Å²	35.4	22%	0.223	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-43.4	178.6	0	0	0	0	0	112.8	M112 N176 G177 Y183 T184	M112-A180 HydrophobicContact CE-CB 3.8Å; N176-A180 WeakPolarHBondContact O-CB 3.5Å; N176-A180 PolarHBondContact O-N 3.08Å; G177-A180 PolarHBondContact O-N 3.08Å; A180-Y183 PolarHBondContact O-N 3.33Å; A180-T184 WeakPolarHBondContact O-CB 3.06Å; A180-T184 PolarHBondContact O-N 2.93Å; A180-T184 PolarHBondContact O-OG1 2.87Å
181	S	98.2	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-44.1	176.7	-173.5	0	0	0	0	111.8	Y100 W105 G177 L178 K179 Y183 T184 Y185	Y100-S181 PolarHBondContact O-OG 3.36Å; W105-S181 PolarHBondContact N-OG 3.21Å; G177-S181 WeakPolarHBondContact O-CB 3.05Å; G177-S181 PolarHBondContact O-N 3.31Å; L178-S181 PolarHBondContact O-N 3.4Å; K179-S181 PolarHBondContact O-N 2.81Å; S181-Y183 PolarHBondContact O-N 3.17Å; S181-T184 PolarHBondContact O-N 3.43Å; S181-Y185 WeakPolarHBondContact O-CB 3.49Å; S181-Y185 PolarHBondContact O-N 2.92Å
182	F	98.1	Very high	95.8	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-46.2	178.3	-175.9	-92.6	0	0	0	111.8	L178 K179 T184 Y185 R186 D207 F210 F211 R252	L178-F182 WeakPolarHBondContact O-CB 3.45Å; L178-F182 PolarHBondContact O-N 3.3Å; K179-F182 PolarHBondContact O-N 3.17Å; F182-T184 VanDerWaalsContact C-N 3.31Å; F182-T184 PolarHBondContact O-N 3.19Å; F182-Y185 HydrophobicContact CD2-CD1 4.16Å; F182-Y185 HydrophobicContact CD2-CE1 4.41Å; F182-Y185 HydrophobicContact CE2-CD1 4.3Å; F182-Y185 HydrophobicContact CE2-CE1 4.11Å; F182-Y185 PolarHBondContact O-N 3.39Å; F182-R186 HydrophobicContact CD1-CG 3.95Å; F182-R186 HydrophobicContact CE1-CG 3.48Å; F182-R186 VanDerWaalsContact CE1-CG 3.48Å; F182-R186 HydrophobicContact CE2-CG 4.28Å; F182-R186 HydrophobicContact CZ-CG 3.67Å; F182-R186 WeakPolarHBondContact O-CG 3.48Å; F182-R186 PolarHBondContact O-N 3.43Å; F182-D207 HydrophobicContact CE2-CB 4.2Å; F182-D207 HydrophobicContact CZ-CB 4.48Å; F182-F210 HydrophobicContact CB-CE1 3.87Å; F182-F210 HydrophobicContact CB-CE2 4.27Å; F182-F210 HydrophobicContact CB-CZ 3.66Å; F182-F210 AromaticContact CD2-CD1 3.61Å; F182-F210 HydrophobicContact CD2-CD1 3.61Å; F182-F210 HydrophobicContact CD2-CD2 4.4Å; F182-F210 AromaticContact CD2-CE1 3.67Å; F182-F210 HydrophobicContact CD2-CE1 3.67Å; F182-F210 HydrophobicContact CD2-CE2 4.42Å; F182-F210 HydrophobicContact CD2-CG 4.03Å; F182-F210 HydrophobicContact CD2-CZ 4.09Å; F182-F210 HydrophobicContact CE2-CD1 4.33Å; F182-F210 HydrophobicContact CG-CE1 4.27Å; F182-F210 HydrophobicContact CG-CZ 4.4Å; F182-F211 HydrophobicContact CD2-CE1 4.25Å; F182-F211 HydrophobicContact CD2-CE2 4.16Å; F182-F211 AromaticContact CD2-CZ 3.65Å; F182-F211 HydrophobicContact CD2-CZ 3.65Å; F182-F211 AromaticContact CE2-CE2 3.77Å; F182-F211 HydrophobicContact CE2-CE2 3.77Å; F182-F211 AromaticContact CE2-CZ 3.67Å; F182-F211 HydrophobicContact CE2-CZ 3.67Å; F182-F211 HydrophobicContact CG-CZ 4.41Å; F182-F211 HydrophobicContact CZ-CZ 4.45Å; F182-R252 HydrophobicContact CD1-CB 4.17Å; F182-R252 HydrophobicContact CD1-CG 3.96Å; F182-R252 HydrophobicContact CE1-CB 3.66Å; F182-R252 HydrophobicContact CE1-CG 3.53Å; F182-R252 HydrophobicContact CE2-CB 4.33Å; F182-R252 HydrophobicContact CZ-CB 3.76Å; F182-R252 HydrophobicContact CZ-CG 4.14Å
183	Y	97.1	Very high	95.4	Very high	119 Å²	119	46.6 Å²	46.6	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-60.3	-42.2	176.4	-81.5	-67.6	0	0	0	112	K179 A180 S181 R186 R187	K179-Y183 HydrophobicContact CD-CE2 4.24Å; K179-Y183 HydrophobicContact CG-CD2 3.82Å; K179-Y183 HydrophobicContact CG-CE2 3.49Å; K179-Y183 VanDerWaalsContact CG-CE2 3.49Å; K179-Y183 WeakPolarHBondContact O-CD2 3.11Å; K179-Y183 PolarHBondContact O-N 3.41Å; A180-Y183 PolarHBondContact O-N 3.33Å; S181-Y183 PolarHBondContact O-N 3.17Å; Y183-R186 PolarHBondContact O-N 2.93Å; Y183-R187 VanDerWaalsContact O-CB 3.31Å; Y183-R187 WeakPolarHBondContact O-CB 3.24Å; Y183-R187 PolarHBondContact O-N 3.35Å
184	T	97.7	Very high	95	Very high	59 Å²	59	53.2 Å²	53.2	36%	0.362	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-48.3	177.1	-56.9	0	0	0	0	111.4	Y100 A180 S181 F182 R186 R187 L188	Y100-T184 HydrophobicContact CD1-CG2 4.14Å; Y100-T184 HydrophobicContact CE1-CG2 3.47Å; Y100-T184 VanDerWaalsContact CE1-CG2 3.47Å; A180-T184 WeakPolarHBondContact O-CB 3.06Å; A180-T184 PolarHBondContact O-N 2.93Å; A180-T184 PolarHBondContact O-OG1 2.87Å; S181-T184 PolarHBondContact O-N 3.43Å; F182-T184 VanDerWaalsContact C-N 3.31Å; F182-T184 PolarHBondContact O-N 3.19Å; T184-R186 PolarHBondContact O-N 3.43Å; T184-R187 PolarHBondContact O-N 2.04Å; T184-L188 HydrophobicContact CG2-CD1 4.06Å; T184-L188 WeakPolarHBondContact O-CG 3.26Å; T184-L188 PolarHBondContact O-N 3.02Å
185	Y	97.1	Very high	94.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-49.9	176.1	147	-111.3	0	0	0	112	L96 A97 S181 F182 R187 L188 L189 S206 D207 F210	L96-Y185 HydrophobicContact CB-CD2 4.06Å; L96-Y185 HydrophobicContact CB-CE2 4.39Å; A97-Y185 HydrophobicContact CB-CD2 4.49Å; A97-Y185 HydrophobicContact CB-CE2 3.84Å; S181-Y185 WeakPolarHBondContact O-CB 3.49Å; S181-Y185 PolarHBondContact O-N 2.92Å; F182-Y185 HydrophobicContact CD2-CD1 4.16Å; F182-Y185 HydrophobicContact CD2-CE1 4.41Å; F182-Y185 HydrophobicContact CE2-CD1 4.3Å; F182-Y185 HydrophobicContact CE2-CE1 4.11Å; F182-Y185 PolarHBondContact O-N 3.39Å; Y185-R187 VanDerWaalsContact C-N 3.32Å; Y185-R187 PolarHBondContact O-N 2.62Å; Y185-L188 PolarHBondContact O-N 3.48Å; Y185-L189 HydrophobicContact CE2-CB 4.42Å; Y185-L189 HydrophobicContact CE2-CD1 4.48Å; Y185-L189 HydrophobicContact CE2-CD2 3.9Å; Y185-L189 WeakPolarHBondContact O-CB 3.21Å; Y185-L189 PolarHBondContact O-N 3.24Å; Y185-S206 WeakPolarHBondContact OH-CB 3.23Å; Y185-S206 PolarHBondContact OH-OG 2.9Å; Y185-D207 VanDerWaalsContact CE1-OD1 3.24Å; Y185-D207 WeakPolarHBondContact CE1-OD1 3.36Å; Y185-D207 PolarHBondContact OH-OD1 2.91Å; Y185-F210 HydrophobicContact CD1-CB 4.43Å; Y185-F210 AromaticContact CD1-CD2 3.75Å; Y185-F210 HydrophobicContact CD1-CD2 3.75Å; Y185-F210 HydrophobicContact CD1-CE2 4.33Å; Y185-F210 HydrophobicContact CD1-CG 4.23Å; Y185-F210 HydrophobicContact CE1-CB 4.2Å; Y185-F210 HydrophobicContact CE1-CD2 4.35Å; Y185-F210 HydrophobicContact CE1-CG 4.45Å; Y185-F210 HydrophobicContact CG-CD2 4.07Å
186	R	95.5	Very high	93.3	Very high	67 Å²	67	62.2 Å²	62.2	25%	0.253	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-37.9	179.8	-70	-58.8	-57.4	-173.6	1.9	112.2	F182 Y183 T184 K190 S203 D207	F182-R186 HydrophobicContact CD1-CG 3.95Å; F182-R186 HydrophobicContact CE1-CG 3.48Å; F182-R186 VanDerWaalsContact CE1-CG 3.48Å; F182-R186 HydrophobicContact CE2-CG 4.28Å; F182-R186 HydrophobicContact CZ-CG 3.67Å; F182-R186 WeakPolarHBondContact O-CG 3.48Å; F182-R186 PolarHBondContact O-N 3.43Å; Y183-R186 PolarHBondContact O-N 2.93Å; T184-R186 PolarHBondContact O-N 3.43Å; R186-K190 PolarHBondContact O-N 2.76Å; R186-K190 VanDerWaalsContact O-N 3.14Å; R186-S203 VanDerWaalsContact CZ-OG 3.28Å; R186-S203 PolarHBondContact NH1-OG 3.35Å; R186-S203 PolarHBondContact NH2-OG 3.42Å; R186-D207 VanDerWaalsContact CD-OD1 3.29Å; R186-D207 WeakPolarHBondContact CD-OD1 3.28Å; R186-D207 IonicContact CZ-OD1 3.8Å; R186-D207 IonicContact CZ-OD2 3.25Å; R186-D207 IonicContact NE-OD1 2.88Å; R186-D207 IonicContact NH1-OD1 2.69Å; R186-D207 PolarHBondContact NH1-OD1 3.41Å; R186-D207 IonicContact NH1-OD2 3Å; R186-D207 PolarHBondContact NH1-OD2 3.31Å
187	R	94.7	Very high	92.5	Very high	195 Å²	195	67.4 Å²	67.4	74%	0.736	34%	0.342	S	S	*	.	H	α-helix	trans	-63.5	-48.9	176	-179.3	177.9	174.7	177.7	-1.4	110.8	Y183 T184 Y185 K190 T191	Y183-R187 VanDerWaalsContact O-CB 3.31Å; Y183-R187 WeakPolarHBondContact O-CB 3.24Å; Y183-R187 PolarHBondContact O-N 3.35Å; T184-R187 PolarHBondContact O-N 2.04Å; Y185-R187 VanDerWaalsContact C-N 3.32Å; Y185-R187 PolarHBondContact O-N 2.62Å; R187-K190 PolarHBondContact O-N 3.24Å; R187-T191 PolarHBondContact O-N 2.66Å; R187-T191 PolarHBondContact O-OG1 3.46Å; R187-T191 VanDerWaalsContact O-OG1 3.11Å
188	L	94.4	Very high	91.7	Very high	44 Å²	44	70.7 Å²	70.7	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-41	179.5	-73.8	172.9	0	0	0	112.4	Y100 T184 Y185 K190 T191 F192	Y100-L188 HydrophobicContact CE1-CD1 4.13Å; Y100-L188 HydrophobicContact CE2-CD1 3.73Å; Y100-L188 WeakPolarHBondContact OH-CD1 3.09Å; T184-L188 HydrophobicContact CG2-CD1 4.06Å; T184-L188 WeakPolarHBondContact O-CG 3.26Å; T184-L188 PolarHBondContact O-N 3.02Å; Y185-L188 PolarHBondContact O-N 3.48Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 2.97Å; L188-T191 PolarHBondContact O-N 2.92Å; L188-T191 VanDerWaalsContact O-N 3.12Å; L188-F192 HydrophobicContact CB-CD2 4.25Å; L188-F192 HydrophobicContact CB-CE2 3.93Å; L188-F192 HydrophobicContact CD2-CE2 4.28Å; L188-F192 HydrophobicContact CD2-CZ 4.27Å; L188-F192 WeakPolarHBondContact O-CD2 3.26Å; L188-F192 WeakPolarHBondContact O-CG 3.3Å; L188-F192 PolarHBondContact O-N 3.45Å
189	L	91.9	Very high	91.2	Very high	24 Å²	24	75 Å²	75	13%	0.126	38%	0.38	C	S	.	.	H	α-helix	trans	-58.6	-43.3	176.3	-164.3	69.3	0	0	0	111.3	L96 Y185 S193	L96-L189 HydrophobicContact CD1-CD1 4.16Å; Y185-L189 HydrophobicContact CE2-CB 4.42Å; Y185-L189 HydrophobicContact CE2-CD1 4.48Å; Y185-L189 HydrophobicContact CE2-CD2 3.9Å; Y185-L189 WeakPolarHBondContact O-CB 3.21Å; Y185-L189 PolarHBondContact O-N 3.24Å; L189-S193 WeakPolarHBondContact O-CB 3.34Å; L189-S193 PolarHBondContact O-N 2.8Å; L189-S193 PolarHBondContact O-OG 3.09Å
190	K	90.1	Very high	90.8	Very high	126 Å²	126	78.2 Å²	78.2	55%	0.548	40%	0.396	S	S	.	.	H	α-helix	trans	-64.8	-39.7	174.2	-175.2	-178.5	177.9	-177.3	0	112.4	R186 R187 L188 S193 N195	R186-K190 PolarHBondContact O-N 2.76Å; R186-K190 VanDerWaalsContact O-N 3.14Å; R187-K190 PolarHBondContact O-N 3.24Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 2.97Å; K190-S193 PolarHBondContact O-OG 3.27Å; K190-S193 VanDerWaalsContact O-OG 3.14Å; K190-N195 WeakPolarHBondContact CE-OD1 3.35Å; K190-N195 WeakPolarHBondContact CG-OD1 3.18Å; K190-N195 WeakPolarHBondContact O-CA 3.44Å; K190-N195 PolarHBondContact O-N 3.01Å
191	T	92.1	Very high	90.3	Very high	77 Å²	77	84.6 Å²	84.6	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-46.8	176.9	-61.6	0	0	0	0	111.3	R187 L188 S193 N194	R187-T191 PolarHBondContact O-N 2.66Å; R187-T191 PolarHBondContact O-OG1 3.46Å; R187-T191 VanDerWaalsContact O-OG1 3.11Å; L188-T191 PolarHBondContact O-N 2.92Å; L188-T191 VanDerWaalsContact O-N 3.12Å; T191-S193 VanDerWaalsContact C-N 3.28Å; T191-S193 PolarHBondContact O-N 2.82Å; T191-N194 PolarHBondContact O-N 3.23Å; T191-N194 VanDerWaalsContact O-N 3.08Å
192	F	90.2	Very high	89.7	Confident	140 Å²	140	90.5 Å²	90.5	61%	0.614	44%	0.443	S	S	*	.	H	α-helix	trans	-70.8	-23	179.7	-63.3	-46.1	0	0	0	113.4	L96 L188 N194	L96-F192 HydrophobicContact CD1-CD2 3.45Å; L96-F192 VanDerWaalsContact CD1-CD2 3.45Å; L96-F192 HydrophobicContact CD1-CE2 3.7Å; L96-F192 HydrophobicContact CD2-CE2 4.13Å; L188-F192 HydrophobicContact CB-CD2 4.25Å; L188-F192 HydrophobicContact CB-CE2 3.93Å; L188-F192 HydrophobicContact CD2-CE2 4.28Å; L188-F192 HydrophobicContact CD2-CZ 4.27Å; L188-F192 WeakPolarHBondContact O-CD2 3.26Å; L188-F192 WeakPolarHBondContact O-CG 3.3Å; L188-F192 PolarHBondContact O-N 3.45Å; F192-N194 PolarHBondContact O-N 2.84Å
193	S	88.3	Confident	89.4	Confident	30 Å²	30	91.1 Å²	91.1	21%	0.21	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	9.9	170.3	74.5	0	0	0	0	113.6	L189 K190 T191 N195 V196	L189-S193 WeakPolarHBondContact O-CB 3.34Å; L189-S193 PolarHBondContact O-N 2.8Å; L189-S193 PolarHBondContact O-OG 3.09Å; K190-S193 PolarHBondContact O-OG 3.27Å; K190-S193 VanDerWaalsContact O-OG 3.14Å; T191-S193 VanDerWaalsContact C-N 3.28Å; T191-S193 PolarHBondContact O-N 2.82Å; S193-N195 PolarHBondContact O-N 3.11Å; S193-V196 WeakPolarHBondContact O-CB 3.26Å; S193-V196 VanDerWaalsContact O-CG2 3.28Å; S193-V196 WeakPolarHBondContact O-CG2 3.49Å; S193-V196 PolarHBondContact O-N 3.41Å; S193-V196 PolarHBondContact OG-O 3.27Å
194	N	89.3	Confident	89.3	Confident	141 Å²	141	86.5 Å²	86.5	75%	0.754	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.2	-173.7	-68.9	-33.7	0	0	0	113	T191 F192 V196	T191-N194 PolarHBondContact O-N 3.23Å; T191-N194 VanDerWaalsContact O-N 3.08Å; F192-N194 PolarHBondContact O-N 2.84Å; N194-V196 PolarHBondContact O-N 3.19Å; N194-V196 VanDerWaalsContact O-N 3.14Å
195	N	82.1	Confident	89.2	Confident	106 Å²	106	85.7 Å²	85.7	57%	0.567	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	12.3	-173.9	-57.6	-58.1	0	0	0	115.2	K190 S193 S197	K190-N195 WeakPolarHBondContact CE-OD1 3.35Å; K190-N195 WeakPolarHBondContact CG-OD1 3.18Å; K190-N195 WeakPolarHBondContact O-CA 3.44Å; K190-N195 PolarHBondContact O-N 3.01Å; S193-N195 PolarHBondContact O-N 3.11Å; N195-S197 PolarHBondContact O-N 3.44Å
196	V	76.2	Confident	89.2	Confident	100 Å²	100	87 Å²	87	61%	0.606	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-67	126.1	170.8	178.3	0	0	0	0	108.3	S193 N194 Q198	S193-V196 WeakPolarHBondContact O-CB 3.26Å; S193-V196 VanDerWaalsContact O-CG2 3.28Å; S193-V196 WeakPolarHBondContact O-CG2 3.49Å; S193-V196 PolarHBondContact O-N 3.41Å; S193-V196 PolarHBondContact OG-O 3.27Å; N194-V196 PolarHBondContact O-N 3.19Å; N194-V196 VanDerWaalsContact O-N 3.14Å; V196-Q198 PolarHBondContact O-N 3.4Å
197	S	80.5	Confident	89.3	Confident	117 Å²	117	84.4 Å²	84.4	82%	0.818	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-59.6	125.5	174.6	-67.1	0	0	0	0	109.4	N195	N195-S197 PolarHBondContact O-N 3.44Å
198	Q	79.2	Confident	89.4	Confident	69 Å²	69	79.1 Å²	79.1	32%	0.322	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-75.4	152.5	173.1	-66	-174.2	-42.3	0	0	110.4	V196 H200	V196-Q198 PolarHBondContact O-N 3.4Å; Q198-H200 PolarHBondContact O-N 3.19Å
199	D	88.8	Confident	89.6	Confident	89 Å²	89	79 Å²	79	48%	0.476	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-53.9	140	168.3	174.5	-95.4	0	0	0	110.3	Y201 E202 S203	D199-Y201 VanDerWaalsContact C-N 3.28Å; D199-Y201 PolarHBondContact O-N 3.24Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.44Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.47Å; D199-Y201 PolarHBondContact OD1-N 2.87Å; D199-E202 HydrophobicContact CB-CB 4.19Å; D199-E202 HydrophobicContact CB-CG 4.04Å; D199-E202 PolarHBondContact O-N 3.07Å; D199-E202 PolarHBondContact OD1-N 3.24Å; D199-E202 VanDerWaalsContact OD1-N 3.07Å; D199-S203 WeakPolarHBondContact O-CB 3.33Å; D199-S203 PolarHBondContact O-N 3.3Å
200	H	87.1	Confident	89.9	Confident	110 Å²	110	77.9 Å²	77.9	51%	0.509	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-39.5	-174.1	-176.5	53.9	0	0	0	111.7	Q198 L204	Q198-H200 PolarHBondContact O-N 3.19Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.38Å; H200-L204 WeakPolarHBondContact O-CG 3.47Å; H200-L204 PolarHBondContact O-N 3.38Å; H200-L204 VanDerWaalsContact O-N 3.08Å
201	Y	87.2	Confident	90.3	Very high	161 Å²	161	72 Å²	72	63%	0.631	38%	0.378	S	S	*	.	H	α-helix	trans	-69.5	-45.4	179.6	179.3	-90.1	0	0	0	111.1	D199 S203 L204 A205	D199-Y201 VanDerWaalsContact C-N 3.28Å; D199-Y201 PolarHBondContact O-N 3.24Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.44Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.47Å; D199-Y201 PolarHBondContact OD1-N 2.87Å; Y201-S203 VanDerWaalsContact C-N 3.31Å; Y201-S203 PolarHBondContact O-N 3.11Å; Y201-L204 PolarHBondContact O-N 3.4Å; Y201-A205 PolarHBondContact O-N 2.85Å
202	E	86.8	Confident	90.6	Very high	124 Å²	124	74.6 Å²	74.6	58%	0.579	38%	0.379	S	S	*	.	H	α-helix	trans	-60	-42.3	175.1	-68.5	-172.8	164.7	0	0	112.1	D199 L204 A205 S206	D199-E202 HydrophobicContact CB-CB 4.19Å; D199-E202 HydrophobicContact CB-CG 4.04Å; D199-E202 PolarHBondContact O-N 3.07Å; D199-E202 PolarHBondContact OD1-N 3.24Å; D199-E202 VanDerWaalsContact OD1-N 3.07Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 2.85Å; E202-A205 PolarHBondContact O-N 2.93Å; E202-S206 WeakPolarHBondContact O-CB 3.44Å; E202-S206 PolarHBondContact O-N 3.47Å
203	S	91.3	Very high	91	Very high	15 Å²	15	68.5 Å²	68.5	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-59.9	-43.3	176	177.2	0	0	0	0	111.6	R186 D199 Y201 D207	R186-S203 VanDerWaalsContact CZ-OG 3.28Å; R186-S203 PolarHBondContact NH1-OG 3.35Å; R186-S203 PolarHBondContact NH2-OG 3.42Å; D199-S203 WeakPolarHBondContact O-CB 3.33Å; D199-S203 PolarHBondContact O-N 3.3Å; Y201-S203 VanDerWaalsContact C-N 3.31Å; Y201-S203 PolarHBondContact O-N 3.11Å; S203-D207 WeakPolarHBondContact O-CB 3.21Å; S203-D207 PolarHBondContact O-N 3.17Å
204	L	95	Very high	91.5	Very high	22 Å²	22	67.1 Å²	67.1	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-68.9	-39	177.1	-71.5	174.5	0	0	0	111.9	H200 Y201 E202 S206 D207 R208 R255	H200-L204 WeakPolarHBondContact NE2-CD1 3.38Å; H200-L204 WeakPolarHBondContact O-CG 3.47Å; H200-L204 PolarHBondContact O-N 3.38Å; H200-L204 VanDerWaalsContact O-N 3.08Å; Y201-L204 PolarHBondContact O-N 3.4Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 2.85Å; L204-S206 VanDerWaalsContact C-N 3.34Å; L204-D207 PolarHBondContact O-N 2.97Å; L204-R208 VanDerWaalsContact O-CG 3.29Å; L204-R208 WeakPolarHBondContact O-CG 3.41Å; L204-R208 PolarHBondContact O-N 3.09Å; L204-R255 HydrophobicContact CD2-CG 4.5Å
205	A	95.7	Very high	91.9	Very high	42 Å²	42	61.6 Å²	61.6	35%	0.347	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-44	176.4	0	0	0	0	0	111.5	Y201 E202 R208 L209	Y201-A205 PolarHBondContact O-N 2.85Å; E202-A205 PolarHBondContact O-N 2.93Å; A205-R208 PolarHBondContact O-N 3.35Å; A205-L209 PolarHBondContact O-N 3.05Å
206	S	96.1	Very high	92.6	Very high	28 Å²	28	61.4 Å²	61.4	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-40	175.5	-168.9	0	0	0	0	111.9	A97 Y185 E202 L204 L209 F210	A97-S206 VanDerWaalsContact CB-O 3.24Å; A97-S206 WeakPolarHBondContact CB-O 3.16Å; Y185-S206 WeakPolarHBondContact OH-CB 3.23Å; Y185-S206 PolarHBondContact OH-OG 2.9Å; E202-S206 WeakPolarHBondContact O-CB 3.44Å; E202-S206 PolarHBondContact O-N 3.47Å; L204-S206 VanDerWaalsContact C-N 3.34Å; S206-L209 WeakPolarHBondContact O-CB 3.49Å; S206-L209 PolarHBondContact O-N 3.39Å; S206-F210 PolarHBondContact O-N 2.92Å
207	D	97.7	Very high	93.5	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.07	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-38.3	176	-68.8	-4.2	0	0	0	112.2	F182 Y185 R186 S203 L204 L209 F210 F211 A256	F182-D207 HydrophobicContact CE2-CB 4.2Å; F182-D207 HydrophobicContact CZ-CB 4.48Å; Y185-D207 VanDerWaalsContact CE1-OD1 3.24Å; Y185-D207 WeakPolarHBondContact CE1-OD1 3.36Å; Y185-D207 PolarHBondContact OH-OD1 2.91Å; R186-D207 VanDerWaalsContact CD-OD1 3.29Å; R186-D207 WeakPolarHBondContact CD-OD1 3.28Å; R186-D207 IonicContact CZ-OD1 3.8Å; R186-D207 IonicContact CZ-OD2 3.25Å; R186-D207 IonicContact NE-OD1 2.88Å; R186-D207 IonicContact NH1-OD1 2.69Å; R186-D207 PolarHBondContact NH1-OD1 3.41Å; R186-D207 IonicContact NH1-OD2 3Å; R186-D207 PolarHBondContact NH1-OD2 3.31Å; S203-D207 WeakPolarHBondContact O-CB 3.21Å; S203-D207 PolarHBondContact O-N 3.17Å; L204-D207 PolarHBondContact O-N 2.97Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 3.14Å; D207-F210 WeakPolarHBondContact O-CB 3.4Å; D207-F210 PolarHBondContact O-N 3.3Å; D207-F211 WeakPolarHBondContact O-CD2 3.28Å; D207-F211 PolarHBondContact O-N 2.71Å; D207-A256 HydrophobicContact CB-CB 3.99Å
208	R	98.3	Very high	94.2	Very high	84 Å²	84	52.9 Å²	52.9	32%	0.317	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-42.1	171.8	-71.6	172.2	-164.8	147.3	6.3	111.3	L204 A205 F210 F211 R212 A256 Y257	L204-R208 VanDerWaalsContact O-CG 3.29Å; L204-R208 WeakPolarHBondContact O-CG 3.41Å; L204-R208 PolarHBondContact O-N 3.09Å; A205-R208 PolarHBondContact O-N 3.35Å; R208-F210 VanDerWaalsContact C-N 3.31Å; R208-F210 PolarHBondContact O-N 2.91Å; R208-F211 PolarHBondContact O-N 2.87Å; R208-R212 WeakPolarHBondContact O-CB 3.38Å; R208-R212 PolarHBondContact O-N 2.72Å; R208-A256 HydrophobicContact CG-CB 4.23Å; R208-A256 WeakPolarHBondContact CG-O 3.34Å; R208-A256 PolarHBondContact NE-O 2.99Å; R208-A256 PolarHBondContact NH2-O 3.47Å; R208-Y257 HydrophobicContact CB-CE1 4.43Å; R208-Y257 HydrophobicContact CB-CE2 4.2Å; R208-Y257 HydrophobicContact CG-CD1 4.39Å; R208-Y257 HydrophobicContact CG-CD2 4.26Å; R208-Y257 HydrophobicContact CG-CE1 4.1Å; R208-Y257 HydrophobicContact CG-CE2 3.95Å; R208-Y257 HydrophobicContact CG-CG 4.46Å; R208-Y257 PolarHBondContact O-OH 3.13Å
209	L	97.7	Very high	95	Very high	42 Å²	42	54.6 Å²	54.6	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-38.7	177	-179.7	59.3	0	0	0	111.9	S95 A97 A205 S206 D207 R212 S213	S95-L209 WeakPolarHBondContact OG-CD2 3.32Å; A97-L209 HydrophobicContact CB-CB 4.1Å; A97-L209 HydrophobicContact CB-CD2 4.16Å; A97-L209 HydrophobicContact CB-CG 4.06Å; A205-L209 PolarHBondContact O-N 3.05Å; S206-L209 WeakPolarHBondContact O-CB 3.49Å; S206-L209 PolarHBondContact O-N 3.39Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 3.14Å; L209-R212 PolarHBondContact O-N 3.23Å; L209-S213 WeakPolarHBondContact O-CB 3.46Å; L209-S213 PolarHBondContact O-N 3.39Å; L209-S213 PolarHBondContact O-OG 3.23Å
210	F	98.5	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-55.7	173.9	171.8	-81.7	0	0	0	110.9	A97 Y100 G101 L178 F182 Y185 S206 D207 R208 R212 S213 F214	A97-F210 HydrophobicContact CB-CB 4.13Å; A97-F210 WeakPolarHBondContact O-CA 3.33Å; Y100-F210 VanDerWaalsContact C-CE2 3.47Å; G101-F210 WeakPolarHBondContact CA-O 3.45Å; L178-F210 HydrophobicContact CD1-CE1 3.63Å; L178-F210 HydrophobicContact CD1-CZ 3.82Å; L178-F210 HydrophobicContact CG-CE1 4.21Å; F182-F210 HydrophobicContact CB-CE1 3.87Å; F182-F210 HydrophobicContact CB-CE2 4.27Å; F182-F210 HydrophobicContact CB-CZ 3.66Å; F182-F210 AromaticContact CD2-CD1 3.61Å; F182-F210 HydrophobicContact CD2-CD1 3.61Å; F182-F210 HydrophobicContact CD2-CD2 4.4Å; F182-F210 AromaticContact CD2-CE1 3.67Å; F182-F210 HydrophobicContact CD2-CE1 3.67Å; F182-F210 HydrophobicContact CD2-CE2 4.42Å; F182-F210 HydrophobicContact CD2-CG 4.03Å; F182-F210 HydrophobicContact CD2-CZ 4.09Å; F182-F210 HydrophobicContact CE2-CD1 4.33Å; F182-F210 HydrophobicContact CG-CE1 4.27Å; F182-F210 HydrophobicContact CG-CZ 4.4Å; Y185-F210 HydrophobicContact CD1-CB 4.43Å; Y185-F210 AromaticContact CD1-CD2 3.75Å; Y185-F210 HydrophobicContact CD1-CD2 3.75Å; Y185-F210 HydrophobicContact CD1-CE2 4.33Å; Y185-F210 HydrophobicContact CD1-CG 4.23Å; Y185-F210 HydrophobicContact CE1-CB 4.2Å; Y185-F210 HydrophobicContact CE1-CD2 4.35Å; Y185-F210 HydrophobicContact CE1-CG 4.45Å; Y185-F210 HydrophobicContact CG-CD2 4.07Å; S206-F210 PolarHBondContact O-N 2.92Å; D207-F210 WeakPolarHBondContact O-CB 3.4Å; D207-F210 PolarHBondContact O-N 3.3Å; R208-F210 VanDerWaalsContact C-N 3.31Å; R208-F210 PolarHBondContact O-N 2.91Å; F210-R212 VanDerWaalsContact C-N 3.31Å; F210-R212 PolarHBondContact O-N 3.22Å; F210-S213 PolarHBondContact O-N 3.49Å; F210-F214 PolarHBondContact O-N 2.89Å
211	F	98.7	Very high	95.2	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-67.1	-32.5	-177.4	-66.3	-63.8	0	0	0	112.7	L178 F182 D207 R208 A215 L247 R252 F253 A256 Y257	L178-F211 HydrophobicContact CD2-CD1 4.34Å; L178-F211 HydrophobicContact CD2-CE1 4.26Å; F182-F211 HydrophobicContact CD2-CE1 4.25Å; F182-F211 HydrophobicContact CD2-CE2 4.16Å; F182-F211 AromaticContact CD2-CZ 3.65Å; F182-F211 HydrophobicContact CD2-CZ 3.65Å; F182-F211 AromaticContact CE2-CE2 3.77Å; F182-F211 HydrophobicContact CE2-CE2 3.77Å; F182-F211 AromaticContact CE2-CZ 3.67Å; F182-F211 HydrophobicContact CE2-CZ 3.67Å; F182-F211 HydrophobicContact CG-CZ 4.41Å; F182-F211 HydrophobicContact CZ-CZ 4.45Å; D207-F211 WeakPolarHBondContact O-CD2 3.28Å; D207-F211 PolarHBondContact O-N 2.71Å; R208-F211 PolarHBondContact O-N 2.87Å; F211-A215 WeakPolarHBondContact O-CB 3.32Å; F211-A215 PolarHBondContact O-N 2.83Å; F211-L247 HydrophobicContact CB-CD2 4.48Å; F211-L247 HydrophobicContact CD1-CD2 3.64Å; F211-L247 HydrophobicContact CE1-CD2 4.31Å; F211-L247 HydrophobicContact CG-CD2 4.35Å; F211-R252 HydrophobicContact CE2-CB 4.49Å; F211-R252 HydrophobicContact CZ-CB 3.98Å; F211-F253 HydrophobicContact CB-CD2 3.97Å; F211-F253 HydrophobicContact CD1-CB 4Å; F211-F253 HydrophobicContact CD1-CD2 4.17Å; F211-F253 HydrophobicContact CD2-CB 4.16Å; F211-F253 HydrophobicContact CD2-CD2 4.08Å; F211-F253 HydrophobicContact CE1-CB 3.79Å; F211-F253 VanDerWaalsContact CE2-CA 3.41Å; F211-F253 HydrophobicContact CE2-CB 3.98Å; F211-F253 HydrophobicContact CG-CB 4.2Å; F211-F253 AromaticContact CG-CD2 3.81Å; F211-F253 HydrophobicContact CG-CD2 3.81Å; F211-F253 HydrophobicContact CZ-CB 3.79Å; F211-F253 VanDerWaalsContact CZ-N 3.32Å; F211-A256 HydrophobicContact CD2-CB 4.06Å; F211-A256 HydrophobicContact CE2-CB 4Å; F211-Y257 HydrophobicContact CB-CE2 3.99Å; F211-Y257 HydrophobicContact CD2-CE2 4.25Å
212	R	98.3	Very high	95.3	Very high	133 Å²	133	50.3 Å²	50.3	50%	0.502	28%	0.277	S	S	.	.	H	α-helix	trans	-65.6	-43.3	173.7	-174.9	177	71.1	-171.6	4.2	111.3	R208 L209 F210 F214 A215 Q216	R208-R212 WeakPolarHBondContact O-CB 3.38Å; R208-R212 PolarHBondContact O-N 2.72Å; L209-R212 PolarHBondContact O-N 3.23Å; F210-R212 VanDerWaalsContact C-N 3.31Å; F210-R212 PolarHBondContact O-N 3.22Å; R212-F214 VanDerWaalsContact C-N 3.33Å; R212-A215 PolarHBondContact O-N 3.27Å; R212-Q216 HydrophobicContact CG-CG 4.24Å; R212-Q216 WeakPolarHBondContact O-CB 3.35Å; R212-Q216 VanDerWaalsContact O-CG 3.28Å; R212-Q216 WeakPolarHBondContact O-CG 3.38Å; R212-Q216 PolarHBondContact O-N 3.29Å
213	S	98	Very high	95.4	Very high	11 Å²	11	46.5 Å²	46.5	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-37.6	179.9	-52.6	0	0	0	0	111.3	S98 L209 F210 G217	S98-S213 WeakPolarHBondContact CA-OG 3.42Å; S98-S213 PolarHBondContact OG-OG 3.02Å; L209-S213 WeakPolarHBondContact O-CB 3.46Å; L209-S213 PolarHBondContact O-N 3.39Å; L209-S213 PolarHBondContact O-OG 3.23Å; F210-S213 PolarHBondContact O-N 3.49Å; S213-G217 PolarHBondContact O-N 3.42Å
214	F	98.4	Very high	95.3	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-55.5	168.6	164.3	-113.7	0	0	0	111.9	G101 W105 L178 F210 R212 Q216 G217 L218 V243 V246 L247	G101-F214 WeakPolarHBondContact O-CA 3.23Å; G101-F214 WeakPolarHBondContact O-CB 3.27Å; G101-F214 PolarHBondContact O-N 3.35Å; W105-F214 HydrophobicContact CB-CD2 4.29Å; W105-F214 AromaticContact CD1-CE2 3.91Å; W105-F214 AromaticContact CD2-CD2 3.68Å; W105-F214 HydrophobicContact CD2-CD2 3.68Å; W105-F214 AromaticContact CD2-CE2 3.6Å; W105-F214 HydrophobicContact CD2-CE2 3.6Å; W105-F214 AromaticContact CE2-CE2 3.44Å; W105-F214 VanDerWaalsContact CE2-CE2 3.44Å; W105-F214 HydrophobicContact CE3-CD2 4.07Å; W105-F214 HydrophobicContact CE3-CE2 4.15Å; W105-F214 AromaticContact CG-CD2 3.73Å; W105-F214 HydrophobicContact CG-CD2 3.73Å; W105-F214 AromaticContact CG-CE2 3.91Å; W105-F214 HydrophobicContact CG-CE2 3.91Å; W105-F214 HydrophobicContact CH2-CE2 4.38Å; W105-F214 AromaticContact CZ2-CE2 3.83Å; W105-F214 HydrophobicContact CZ2-CE2 3.83Å; W105-F214 AromaticContact NE1-CE2 3.61Å; L178-F214 HydrophobicContact CD1-CB 3.97Å; L178-F214 HydrophobicContact CD1-CD1 3.96Å; L178-F214 HydrophobicContact CD1-CD2 3.62Å; L178-F214 HydrophobicContact CD1-CE1 4.37Å; L178-F214 HydrophobicContact CD1-CE2 4.08Å; L178-F214 HydrophobicContact CD1-CG 3.54Å; L178-F214 HydrophobicContact CD1-CZ 4.43Å; L178-F214 HydrophobicContact CD2-CD1 3.91Å; L178-F214 HydrophobicContact CD2-CE1 3.8Å; L178-F214 HydrophobicContact CD2-CG 4.36Å; L178-F214 HydrophobicContact CD2-CZ 4.17Å; F210-F214 PolarHBondContact O-N 2.89Å; R212-F214 VanDerWaalsContact C-N 3.33Å; F214-Q216 VanDerWaalsContact C-N 3.34Å; F214-Q216 PolarHBondContact O-N 3.02Å; F214-G217 PolarHBondContact O-N 3.38Å; F214-L218 HydrophobicContact CE2-CD1 3.85Å; F214-L218 HydrophobicContact CZ-CD1 4.1Å; F214-V243 HydrophobicContact CE1-CG1 4.33Å; F214-V246 HydrophobicContact CZ-CB 4.3Å; F214-V246 HydrophobicContact CZ-CG1 4.36Å; F214-L247 HydrophobicContact CD1-CD2 4Å; F214-L247 HydrophobicContact CD1-CG 4.41Å; F214-L247 HydrophobicContact CE1-CD2 3.97Å; F214-L247 HydrophobicContact CE1-CG 4.04Å
215	A	98.4	Very high	94.8	Very high	26 Å²	26	57.6 Å²	57.6	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-38.9	-177	0	0	0	0	0	112.8	F211 R212 G217 L218 C219 V243	F211-A215 WeakPolarHBondContact O-CB 3.32Å; F211-A215 PolarHBondContact O-N 2.83Å; R212-A215 PolarHBondContact O-N 3.27Å; A215-G217 VanDerWaalsContact C-N 3.33Å; A215-G217 PolarHBondContact O-N 2.77Å; A215-L218 PolarHBondContact O-N 3.17Å; A215-C219 PolarHBondContact O-N 3.13Å; A215-V243 HydrophobicContact CB-CG1 3.68Å; A215-V243 HydrophobicContact CB-CG2 4.38Å
216	Q	96.9	Very high	94.4	Very high	102 Å²	102	59 Å²	59	48%	0.477	33%	0.331	S	S	.	.	H	α-helix	trans	-67.6	-31.4	179.5	-76.5	179.1	-33.3	0	0	113.1	R212 F214 L218 C219	R212-Q216 HydrophobicContact CG-CG 4.24Å; R212-Q216 WeakPolarHBondContact O-CB 3.35Å; R212-Q216 VanDerWaalsContact O-CG 3.28Å; R212-Q216 WeakPolarHBondContact O-CG 3.38Å; R212-Q216 PolarHBondContact O-N 3.29Å; F214-Q216 VanDerWaalsContact C-N 3.34Å; F214-Q216 PolarHBondContact O-N 3.02Å; Q216-L218 PolarHBondContact O-N 2.96Å; Q216-L218 VanDerWaalsContact O-N 3.16Å; Q216-C219 PolarHBondContact O-N 3.45Å
217	G	94	Very high	94	Very high	19 Å²	19	59 Å²	59	20%	0.196	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.3	174.6	0	0	0	0	0	113.8	S213 F214 A215	S213-G217 PolarHBondContact O-N 3.42Å; F214-G217 PolarHBondContact O-N 3.38Å; A215-G217 VanDerWaalsContact C-N 3.33Å; A215-G217 PolarHBondContact O-N 2.77Å
218	L	96	Very high	93.4	Very high	19 Å²	19	65 Å²	65	10%	0.099	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	14.8	179.9	-73.3	169.6	0	0	0	112.3	W105 F214 A215 Q216 G220 E239 R242 V243	W105-L218 HydrophobicContact CH2-CD1 3.78Å; W105-L218 HydrophobicContact CH2-CD2 4.01Å; W105-L218 HydrophobicContact CH2-CG 4.13Å; W105-L218 HydrophobicContact CZ2-CD1 4.21Å; W105-L218 HydrophobicContact CZ3-CD1 4.23Å; W105-L218 HydrophobicContact CZ3-CD2 4.37Å; W105-L218 HydrophobicContact CZ3-CG 4.27Å; F214-L218 HydrophobicContact CE2-CD1 3.85Å; F214-L218 HydrophobicContact CZ-CD1 4.1Å; A215-L218 PolarHBondContact O-N 3.17Å; Q216-L218 PolarHBondContact O-N 2.96Å; Q216-L218 VanDerWaalsContact O-N 3.16Å; L218-G220 PolarHBondContact O-N 3.23Å; L218-G220 VanDerWaalsContact O-N 3.16Å; L218-E239 HydrophobicContact CB-CB 4.22Å; L218-E239 HydrophobicContact CD2-CB 4.38Å; L218-E239 HydrophobicContact CD2-CG 4.25Å; L218-E239 WeakPolarHBondContact O-CB 3.24Å; L218-R242 HydrophobicContact CD1-CB 3.89Å; L218-V243 HydrophobicContact CB-CG2 3.58Å; L218-V243 HydrophobicContact CD1-CG2 3.62Å; L218-V243 HydrophobicContact CG-CG2 4.26Å
219	C	96	Very high	92.8	Very high	105 Å²	105	65.2 Å²	65.2	71%	0.709	36%	0.363	S	S	*	.			trans	-66.2	116.3	172.3	-77.3	0	0	0	0	110.1	A215 Q216	A215-C219 PolarHBondContact O-N 3.13Å; Q216-C219 PolarHBondContact O-N 3.45Å
220	G	91.8	Very high	92.2	Very high	58 Å²	58	63.7 Å²	63.7	60%	0.598	36%	0.355	S	S	*	.			trans	-164.8	164.9	178.6	0	0	0	0	0	111.3	L218	L218-G220 PolarHBondContact O-N 3.23Å; L218-G220 VanDerWaalsContact O-N 3.16Å
221	H	89.2	Confident	91.5	Very high	172 Å²	172	64.3 Å²	64.3	80%	0.796	36%	0.359	S	S	*	.			trans	-144.3	146.3	174.4	-176.5	65.7	0	0	0	109.7
222	H	87.5	Confident	90.8	Very high	39 Å²	39	68 Å²	68	18%	0.181	38%	0.382	C	S	.	.			trans	-115.3	138	-178.8	-70.6	-82.8	0	0	0	109.5	M226 L227 D230 E239	H222-M226 HydrophobicContact CB-CB 4.31Å; H222-L227 HydrophobicContact CB-CD2 3.68Å; H222-L227 HydrophobicContact CB-CG 4.06Å; H222-D230 IonicContact CE1-OD2 2.79Å; H222-D230 PolarHBondContact CE1-OD2 3.02Å; H222-D230 IonicContact CG-OD2 3.17Å; H222-D230 IonicContact ND1-OD2 3.3Å; H222-D230 PolarHBondContact ND1-OD2 3.08Å; H222-D230 IonicContact NE2-OD2 2.97Å; H222-E239 IonicContact CD2-OE2 3.36Å; H222-E239 PolarHBondContact CD2-OE2 3.39Å; H222-E239 VanDerWaalsContact CD2-OE2 3.22Å; H222-E239 IonicContact CE1-OE1 3.9Å; H222-E239 VanDerWaalsContact NE2-CD 3.26Å; H222-E239 IonicContact NE2-OE1 3.86Å; H222-E239 PolarHBondContact NE2-OE1 3.05Å; H222-E239 IonicContact NE2-OE2 2.74Å; H222-E239 PolarHBondContact NE2-OE2 2.49Å
223	G	90.2	Very high	90.3	Very high	44 Å²	44	66.3 Å²	66.3	45%	0.454	39%	0.386	S	S	.	.			trans	-65.7	156.2	170.5	0	0	0	0	0	111.4	S225 M226 L227	G223-S225 VanDerWaalsContact C-N 3.31Å; G223-S225 PolarHBondContact O-N 2.95Å; G223-M226 WeakPolarHBondContact O-CA 3.45Å; G223-M226 WeakPolarHBondContact O-CB 3Å; G223-M226 PolarHBondContact O-N 3.36Å; G223-L227 PolarHBondContact O-N 3.47Å; G223-L227 VanDerWaalsContact O-N 3.14Å
224	E	88.1	Confident	89.9	Confident	175 Å²	175	70 Å²	70	82%	0.818	40%	0.402	S	S	*	.	H	α-helix	trans	-52.6	-44.7	-173.2	-69.8	-177.5	167.5	0	0	113.5	M226 L227	E224-M226 PolarHBondContact O-N 2.75Å; E224-L227 WeakPolarHBondContact O-CB 3.38Å; E224-L227 PolarHBondContact O-N 2.96Å
225	S	86.2	Confident	89.7	Confident	95 Å²	95	71.6 Å²	71.6	66%	0.664	41%	0.412	S	S	*	.	H	α-helix	trans	-63.7	-30	178	60.2	0	0	0	0	113.3	G223	G223-S225 VanDerWaalsContact C-N 3.31Å; G223-S225 PolarHBondContact O-N 2.95Å
226	M	86.6	Confident	89.5	Confident	71 Å²	71	73 Å²	73	35%	0.35	42%	0.415	S	S	.	.	H	α-helix	trans	-78.2	-31.8	179.2	-163.9	68.5	-159.2	0	0	111.4	H222 G223 E224 E228 I229 D230	H222-M226 HydrophobicContact CB-CB 4.31Å; G223-M226 WeakPolarHBondContact O-CA 3.45Å; G223-M226 WeakPolarHBondContact O-CB 3Å; G223-M226 PolarHBondContact O-N 3.36Å; E224-M226 PolarHBondContact O-N 2.75Å; M226-E228 VanDerWaalsContact C-N 3.3Å; M226-E228 PolarHBondContact O-N 3.14Å; M226-I229 HydrophobicContact CE-CG2 4.27Å; M226-I229 PolarHBondContact O-N 3.03Å; M226-D230 WeakPolarHBondContact CE-OD1 3.3Å; M226-D230 WeakPolarHBondContact O-CB 3.41Å; M226-D230 PolarHBondContact O-N 3.39Å
227	L	88.4	Confident	89.3	Confident	30 Å²	30	68.4 Å²	68.4	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-59	-40.2	177.4	-68.1	173.2	0	0	0	112.3	F157 H222 G223 E224 S231 L238	F157-L227 HydrophobicContact CD1-CB 4.24Å; F157-L227 HydrophobicContact CE1-CB 4.09Å; F157-L227 HydrophobicContact CE2-CB 4.45Å; F157-L227 HydrophobicContact CE2-CD1 4.12Å; F157-L227 HydrophobicContact CG-CB 4.49Å; F157-L227 HydrophobicContact CZ-CB 4.2Å; F157-L227 HydrophobicContact CZ-CD1 4.18Å; H222-L227 HydrophobicContact CB-CD2 3.68Å; H222-L227 HydrophobicContact CB-CG 4.06Å; G223-L227 PolarHBondContact O-N 3.47Å; G223-L227 VanDerWaalsContact O-N 3.14Å; E224-L227 WeakPolarHBondContact O-CB 3.38Å; E224-L227 PolarHBondContact O-N 2.96Å; L227-S231 WeakPolarHBondContact O-CB 3.13Å; L227-S231 PolarHBondContact O-N 3.27Å; L227-L238 HydrophobicContact CD2-CD1 3.58Å; L227-L238 HydrophobicContact CD2-CD2 3.96Å; L227-L238 HydrophobicContact CD2-CG 4.44Å
228	E	83.5	Confident	89.3	Confident	139 Å²	139	68.3 Å²	68.3	65%	0.65	39%	0.388	S	S	*	.	H	α-helix	trans	-67.1	-45.2	176.4	-69.9	-171	168.5	0	0	111.8	M226 S231	M226-E228 VanDerWaalsContact C-N 3.3Å; M226-E228 PolarHBondContact O-N 3.14Å; E228-S231 WeakPolarHBondContact O-CB 3.14Å; E228-S231 PolarHBondContact O-N 3.15Å; E228-S231 PolarHBondContact O-OG 3.07Å
229	I	86.3	Confident	89.2	Confident	87 Å²	87	70 Å²	70	45%	0.446	40%	0.396	S	S	.	.	H	α-helix	trans	-62.5	-46.7	178.3	-64.9	171.8	0	0	0	110.4	M226 S231 V232 V233	M226-I229 HydrophobicContact CE-CG2 4.27Å; M226-I229 PolarHBondContact O-N 3.03Å; I229-S231 PolarHBondContact O-N 2.59Å; I229-V232 PolarHBondContact O-N 3.08Å; I229-V232 VanDerWaalsContact O-N 3.11Å; I229-V233 HydrophobicContact CG2-CB 4.22Å; I229-V233 HydrophobicContact CG2-CG2 3.95Å; I229-V233 WeakPolarHBondContact O-CB 3.26Å; I229-V233 PolarHBondContact O-N 2.94Å
230	D	85.1	Confident	89.1	Confident	10 Å²	10	71.9 Å²	71.9	5%	0.053	39%	0.392	C	S	.	.	H	α-helix	trans	-64.4	-26.8	179.1	-79.8	-16.9	0	0	0	112.2	K161 H222 M226 V232 Q234 L238	K161-D230 PolarHBondContact NZ-O 3.48Å; H222-D230 IonicContact CE1-OD2 2.79Å; H222-D230 PolarHBondContact CE1-OD2 3.02Å; H222-D230 IonicContact CG-OD2 3.17Å; H222-D230 IonicContact ND1-OD2 3.3Å; H222-D230 PolarHBondContact ND1-OD2 3.08Å; H222-D230 IonicContact NE2-OD2 2.97Å; M226-D230 WeakPolarHBondContact CE-OD1 3.3Å; M226-D230 WeakPolarHBondContact O-CB 3.41Å; M226-D230 PolarHBondContact O-N 3.39Å; D230-V232 PolarHBondContact O-N 3.19Å; D230-Q234 VanDerWaalsContact OD1-CG 3.26Å; D230-Q234 WeakPolarHBondContact OD1-CG 3.36Å; D230-L238 HydrophobicContact CB-CD2 3.95Å
231	S	83.6	Confident	89.3	Confident	14 Å²	14	70.2 Å²	70.2	10%	0.098	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.5	176.6	80	0	0	0	0	113.8	F157 L227 E228 I229	F157-S231 WeakPolarHBondContact O-CA 3.47Å; F157-S231 VanDerWaalsContact O-CB 3.28Å; F157-S231 WeakPolarHBondContact O-CB 3.38Å; L227-S231 WeakPolarHBondContact O-CB 3.13Å; L227-S231 PolarHBondContact O-N 3.27Å; E228-S231 WeakPolarHBondContact O-CB 3.14Å; E228-S231 PolarHBondContact O-N 3.15Å; E228-S231 PolarHBondContact O-OG 3.07Å; I229-S231 PolarHBondContact O-N 2.59Å
232	V	84.7	Confident	89.7	Confident	78 Å²	78	63.5 Å²	63.5	47%	0.473	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-41.8	-174.9	-172.2	0	0	0	0	113.1	L160 I229 D230	L160-V232 HydrophobicContact CD1-CG2 3.98Å; I229-V232 PolarHBondContact O-N 3.08Å; I229-V232 VanDerWaalsContact O-N 3.11Å; D230-V232 PolarHBondContact O-N 3.19Å
233	V	87.9	Confident	90.2	Very high	98 Å²	98	62.5 Å²	62.5	59%	0.594	33%	0.332	S	S	*	.	S	Bend	trans	-90.1	-42.2	-166.2	179.9	0	0	0	0	112.6	I229	I229-V233 HydrophobicContact CG2-CB 4.22Å; I229-V233 HydrophobicContact CG2-CG2 3.95Å; I229-V233 WeakPolarHBondContact O-CB 3.26Å; I229-V233 PolarHBondContact O-N 2.94Å
234	Q	89.6	Confident	90.5	Very high	88 Å²	88	62.1 Å²	62.1	41%	0.411	32%	0.321	S	S	.	.			trans	-86.7	131.3	-174.9	-68.3	-62	-34.3	0	0	111.2	K161 D230 H236	K161-Q234 WeakPolarHBondContact CD-O 3.21Å; K161-Q234 PolarHBondContact NZ-O 3.28Å; D230-Q234 VanDerWaalsContact OD1-CG 3.26Å; D230-Q234 WeakPolarHBondContact OD1-CG 3.36Å; Q234-H236 VanDerWaalsContact C-N 3.27Å; Q234-H236 PolarHBondContact O-N 2.97Å
235	P	93.5	Very high	90.9	Very high	34 Å²	34	53.8 Å²	53.8	22%	0.221	28%	0.282	C	S	.	.	S	Bend	trans	-67.8	-30.6	177.8	28.2	-34.8	0	0	0	111.8	D166 T167 E170 V237	D166-P235 HydrophobicContact CB-CB 3.89Å; T167-P235 VanDerWaalsContact CA-O 3.31Å; T167-P235 WeakPolarHBondContact CA-O 3.5Å; T167-P235 WeakPolarHBondContact CB-O 3.35Å; T167-P235 WeakPolarHBondContact CG2-O 3.41Å; T167-P235 PolarHBondContact OG1-O 3.43Å; T167-P235 VanDerWaalsContact OG1-O 3.1Å; E170-P235 HydrophobicContact CG-CB 4.06Å; E170-P235 HydrophobicContact CG-CG 4.46Å; P235-V237 PolarHBondContact O-N 2.95Å
236	H	94.1	Very high	91.4	Very high	57 Å²	57	49.3 Å²	49.3	26%	0.264	25%	0.251	S	S	.	.	S	Bend	trans	-68.9	130	174.3	-65.1	100	0	0	0	110.9	K161 E170 Q234 R242	K161-H236 PolarHBondContact NZ-O 3.25Å; E170-H236 IonicContact OE1-NE2 3.22Å; E170-H236 IonicContact OE2-CD2 3.77Å; E170-H236 IonicContact OE2-CE1 3.45Å; E170-H236 IonicContact OE2-NE2 3.7Å; E170-H236 PolarHBondContact OE2-NE2 3.32Å; Q234-H236 VanDerWaalsContact C-N 3.27Å; Q234-H236 PolarHBondContact O-N 2.97Å; H236-R242 VanDerWaalsContact CD2-CZ 3.49Å; H236-R242 PolarHBondContact CD2-NH1 2.93Å
237	V	93.8	Very high	91.9	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.03	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64	160	163	-60.6	0	0	0	0	110.4	Y152 T158 T167 I171 P235 F241 R242	Y152-V237 HydrophobicContact CD1-CB 4.42Å; Y152-V237 HydrophobicContact CD1-CG1 4.01Å; Y152-V237 HydrophobicContact CD1-CG2 4.12Å; Y152-V237 HydrophobicContact CE1-CG1 4.46Å; Y152-V237 HydrophobicContact CE1-CG2 3.76Å; T158-V237 HydrophobicContact CG2-CB 4.01Å; T158-V237 HydrophobicContact CG2-CG1 3.85Å; T167-V237 HydrophobicContact CG2-CG1 3.91Å; I171-V237 HydrophobicContact CD1-CG1 4.02Å; I171-V237 HydrophobicContact CG1-CG1 4.2Å; P235-V237 PolarHBondContact O-N 2.95Å; V237-F241 HydrophobicContact CB-CB 4.41Å; V237-F241 HydrophobicContact CG2-CB 4.13Å; V237-R242 HydrophobicContact CG2-CG 3.53Å; V237-R242 WeakPolarHBondContact O-CD 3.32Å; V237-R242 WeakPolarHBondContact O-CG 3.22Å
238	L	93.2	Very high	92.3	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-54.5	146.3	177.9	-59	175.1	0	0	0	110.9	F157 L227 D230 K240 F241 R242	F157-L238 HydrophobicContact CB-CD1 4.02Å; F157-L238 HydrophobicContact CD2-CD1 4.1Å; F157-L238 HydrophobicContact CG-CD1 4.39Å; L227-L238 HydrophobicContact CD2-CD1 3.58Å; L227-L238 HydrophobicContact CD2-CD2 3.96Å; L227-L238 HydrophobicContact CD2-CG 4.44Å; D230-L238 HydrophobicContact CB-CD2 3.95Å; L238-K240 PolarHBondContact O-N 2.87Å; L238-K240 VanDerWaalsContact O-N 3.14Å; L238-F241 HydrophobicContact CB-CD2 3.97Å; L238-F241 HydrophobicContact CB-CE2 4.43Å; L238-F241 HydrophobicContact CD1-CD2 4.44Å; L238-F241 HydrophobicContact CD1-CE2 4.15Å; L238-F241 WeakPolarHBondContact O-CA 3.35Å; L238-F241 PolarHBondContact O-N 3.42Å; L238-R242 PolarHBondContact O-N 3.35Å
239	E	94.2	Very high	93	Very high	54 Å²	54	39.8 Å²	39.8	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-56.8	-38.4	-170.8	-62.3	78.4	-176.3	0	0	111.9	L218 H222 F241 R242 V243	L218-E239 HydrophobicContact CB-CB 4.22Å; L218-E239 HydrophobicContact CD2-CB 4.38Å; L218-E239 HydrophobicContact CD2-CG 4.25Å; L218-E239 WeakPolarHBondContact O-CB 3.24Å; H222-E239 IonicContact CD2-OE2 3.36Å; H222-E239 PolarHBondContact CD2-OE2 3.39Å; H222-E239 VanDerWaalsContact CD2-OE2 3.22Å; H222-E239 IonicContact CE1-OE1 3.9Å; H222-E239 VanDerWaalsContact NE2-CD 3.26Å; H222-E239 IonicContact NE2-OE1 3.86Å; H222-E239 PolarHBondContact NE2-OE1 3.05Å; H222-E239 IonicContact NE2-OE2 2.74Å; H222-E239 PolarHBondContact NE2-OE2 2.49Å; E239-F241 VanDerWaalsContact C-N 3.25Å; E239-F241 PolarHBondContact O-N 2.82Å; E239-R242 WeakPolarHBondContact O-CB 3.38Å; E239-R242 PolarHBondContact O-N 3.01Å; E239-R242 VanDerWaalsContact O-N 3.16Å; E239-V243 WeakPolarHBondContact O-CG2 3.48Å; E239-V243 PolarHBondContact O-N 3.19Å
240	K	94.4	Very high	93.5	Very high	145 Å²	145	36.5 Å²	36.5	63%	0.63	19%	0.19	S	C	*	.	H	α-helix	trans	-52.6	-45.2	172.8	179.3	-178.2	176.8	-178.5	0	111.6	L238 V243 T244	L238-K240 PolarHBondContact O-N 2.87Å; L238-K240 VanDerWaalsContact O-N 3.14Å; K240-V243 PolarHBondContact O-N 3.41Å; K240-T244 PolarHBondContact O-N 2.95Å; K240-T244 PolarHBondContact O-OG1 2.65Å
241	F	95.2	Very high	94	Very high	22 Å²	22	41.2 Å²	41.2	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-79.5	-28	-178.7	-58.2	-53.9	0	0	0	112.6	Y152 Y155 N156 T158 V237 L238 E239 V243 G245	Y152-F241 HydrophobicContact CD1-CB 4.36Å; Y152-F241 HydrophobicContact CE1-CB 4.08Å; Y152-F241 WeakPolarHBondContact CE1-O 3.44Å; Y152-F241 PolarHBondContact OH-O 3.38Å; Y155-F241 HydrophobicContact CD1-CD1 4.31Å; Y155-F241 HydrophobicContact CD1-CE1 4.22Å; Y155-F241 HydrophobicContact CD2-CB 3.98Å; Y155-F241 AromaticContact CD2-CD1 3.45Å; Y155-F241 HydrophobicContact CD2-CD1 3.45Å; Y155-F241 VanDerWaalsContact CD2-CD1 3.45Å; Y155-F241 HydrophobicContact CD2-CE1 4.09Å; Y155-F241 AromaticContact CD2-CG 3.77Å; Y155-F241 HydrophobicContact CD2-CG 3.77Å; Y155-F241 HydrophobicContact CE2-CD1 4.1Å; Y155-F241 AromaticContact CG-CD1 3.58Å; Y155-F241 HydrophobicContact CG-CD1 3.58Å; Y155-F241 AromaticContact CG-CE1 3.71Å; Y155-F241 HydrophobicContact CG-CE1 3.71Å; Y155-F241 HydrophobicContact CG-CG 4.15Å; Y155-F241 HydrophobicContact CG-CZ 4.38Å; N156-F241 WeakPolarHBondContact O-CE2 3.36Å; T158-F241 HydrophobicContact CG2-CD2 3.86Å; T158-F241 HydrophobicContact CG2-CE2 4.38Å; V237-F241 HydrophobicContact CB-CB 4.41Å; V237-F241 HydrophobicContact CG2-CB 4.13Å; L238-F241 HydrophobicContact CB-CD2 3.97Å; L238-F241 HydrophobicContact CB-CE2 4.43Å; L238-F241 HydrophobicContact CD1-CD2 4.44Å; L238-F241 HydrophobicContact CD1-CE2 4.15Å; L238-F241 WeakPolarHBondContact O-CA 3.35Å; L238-F241 PolarHBondContact O-N 3.42Å; E239-F241 VanDerWaalsContact C-N 3.25Å; E239-F241 PolarHBondContact O-N 2.82Å; F241-V243 PolarHBondContact O-N 3.29Å; F241-G245 VanDerWaalsContact O-CA 3.22Å; F241-G245 WeakPolarHBondContact O-CA 3.43Å; F241-G245 PolarHBondContact O-N 2.94Å
242	R	96.9	Very high	94.6	Very high	31 Å²	31	45.3 Å²	45.3	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-36.2	166.5	-60.5	-172.6	68.7	-174.7	3.2	111.4	D174 L218 H236 V237 L238 E239 V246	D174-R242 IonicContact OD1-CZ 3.75Å; D174-R242 IonicContact OD1-NE 2.85Å; D174-R242 PolarHBondContact OD1-NE 2.88Å; D174-R242 IonicContact OD1-NH2 3.25Å; D174-R242 PolarHBondContact OD1-NH2 3.26Å; D174-R242 WeakPolarHBondContact OD2-CG 3.34Å; D174-R242 IonicContact OD2-CZ 3.64Å; D174-R242 IonicContact OD2-NE 3.78Å; D174-R242 PolarHBondContact OD2-NE 2.65Å; D174-R242 IonicContact OD2-NH2 3.19Å; L218-R242 HydrophobicContact CD1-CB 3.89Å; H236-R242 VanDerWaalsContact CD2-CZ 3.49Å; H236-R242 PolarHBondContact CD2-NH1 2.93Å; V237-R242 HydrophobicContact CG2-CG 3.53Å; V237-R242 WeakPolarHBondContact O-CD 3.32Å; V237-R242 WeakPolarHBondContact O-CG 3.22Å; L238-R242 PolarHBondContact O-N 3.35Å; E239-R242 WeakPolarHBondContact O-CB 3.38Å; E239-R242 PolarHBondContact O-N 3.01Å; E239-R242 VanDerWaalsContact O-N 3.16Å; R242-V246 WeakPolarHBondContact O-CB 3.48Å; R242-V246 WeakPolarHBondContact O-CG2 3.32Å
243	V	97.9	Very high	95.2	Very high	18 Å²	18	42.4 Å²	42.4	11%	0.109	21%	0.209	C	C	.	.	H	α-helix	trans	-75.9	-64.6	173.7	178.2	0	0	0	0	111.1	F214 A215 L218 E239 K240 F241 G245 V246 L247	F214-V243 HydrophobicContact CE1-CG1 4.33Å; A215-V243 HydrophobicContact CB-CG1 3.68Å; A215-V243 HydrophobicContact CB-CG2 4.38Å; L218-V243 HydrophobicContact CB-CG2 3.58Å; L218-V243 HydrophobicContact CD1-CG2 3.62Å; L218-V243 HydrophobicContact CG-CG2 4.26Å; E239-V243 WeakPolarHBondContact O-CG2 3.48Å; E239-V243 PolarHBondContact O-N 3.19Å; K240-V243 PolarHBondContact O-N 3.41Å; F241-V243 PolarHBondContact O-N 3.29Å; V243-G245 PolarHBondContact O-N 3.47Å; V243-V246 PolarHBondContact O-N 2.95Å; V243-L247 HydrophobicContact CG1-CD1 3.69Å; V243-L247 HydrophobicContact CG1-CG 4.38Å; V243-L247 WeakPolarHBondContact O-CB 3.42Å; V243-L247 VanDerWaalsContact O-CG 3.26Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.23Å
244	T	96.8	Very high	95.7	Very high	36 Å²	36	38 Å²	38	22%	0.221	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-42.2	-169.9	58.2	0	0	0	0	111.6	K240 V246 L247 V248 M265	K240-T244 PolarHBondContact O-N 2.95Å; K240-T244 PolarHBondContact O-OG1 2.65Å; T244-V246 VanDerWaalsContact C-N 3.26Å; T244-V246 PolarHBondContact O-N 3.21Å; T244-L247 PolarHBondContact O-N 3.02Å; T244-V248 VanDerWaalsContact O-CG1 3.24Å; T244-V248 WeakPolarHBondContact O-CG1 3.37Å; T244-V248 WeakPolarHBondContact O-CG2 3.4Å; T244-V248 PolarHBondContact O-N 3.3Å; T244-M265 HydrophobicContact CG2-SD 4.42Å
245	G	96.4	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-30.7	-178.1	0	0	0	0	0	113.1	Q151 Y152 F241 V243 V248 N249	Q151-G245 PolarHBondContact NE2-O 3.3Å; Y152-G245 WeakPolarHBondContact OH-CA 3.48Å; F241-G245 VanDerWaalsContact O-CA 3.22Å; F241-G245 WeakPolarHBondContact O-CA 3.43Å; F241-G245 PolarHBondContact O-N 2.94Å; V243-G245 PolarHBondContact O-N 3.47Å; G245-V248 WeakPolarHBondContact O-CG2 3.36Å; G245-N249 PolarHBondContact O-ND2 2.94Å; G245-N249 VanDerWaalsContact O-ND2 3.08Å
246	V	97.4	Very high	96.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-77.9	-47.1	172.1	175.4	0	0	0	0	111.5	Y152 D174 L178 F214 R242 V243 T244 V248 N249 N250	Y152-V246 PolarHBondContact OH-N 2.84Å; D174-V246 HydrophobicContact CB-CG2 3.67Å; L178-V246 HydrophobicContact CB-CG1 3.82Å; L178-V246 HydrophobicContact CD2-CG1 3.37Å; L178-V246 HydrophobicContact CG-CG1 4.22Å; F214-V246 HydrophobicContact CZ-CB 4.3Å; F214-V246 HydrophobicContact CZ-CG1 4.36Å; R242-V246 WeakPolarHBondContact O-CB 3.48Å; R242-V246 WeakPolarHBondContact O-CG2 3.32Å; V243-V246 PolarHBondContact O-N 2.95Å; T244-V246 VanDerWaalsContact C-N 3.26Å; T244-V246 PolarHBondContact O-N 3.21Å; V246-V248 VanDerWaalsContact C-N 3.31Å; V246-V248 PolarHBondContact O-N 3.32Å; V246-N249 PolarHBondContact O-N 3.46Å; V246-N249 VanDerWaalsContact O-N 3.13Å; V246-N250 PolarHBondContact O-N 3.27Å
247	L	97.9	Very high	96.4	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-34.4	-174.8	-69	179.9	0	0	0	112.6	L178 F211 F214 V243 T244 N249 N250 F253 M265	L178-L247 HydrophobicContact CD2-CD2 3.94Å; F211-L247 HydrophobicContact CB-CD2 4.48Å; F211-L247 HydrophobicContact CD1-CD2 3.64Å; F211-L247 HydrophobicContact CE1-CD2 4.31Å; F211-L247 HydrophobicContact CG-CD2 4.35Å; F214-L247 HydrophobicContact CD1-CD2 4Å; F214-L247 HydrophobicContact CD1-CG 4.41Å; F214-L247 HydrophobicContact CE1-CD2 3.97Å; F214-L247 HydrophobicContact CE1-CG 4.04Å; V243-L247 HydrophobicContact CG1-CD1 3.69Å; V243-L247 HydrophobicContact CG1-CG 4.38Å; V243-L247 WeakPolarHBondContact O-CB 3.42Å; V243-L247 VanDerWaalsContact O-CG 3.26Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.23Å; T244-L247 PolarHBondContact O-N 3.02Å; L247-N249 PolarHBondContact O-N 2.9Å; L247-N250 PolarHBondContact O-N 3.42Å; L247-F253 HydrophobicContact CB-CD1 3.97Å; L247-F253 HydrophobicContact CB-CD2 4.36Å; L247-F253 HydrophobicContact CB-CE1 4.18Å; L247-F253 HydrophobicContact CB-CE2 4.5Å; L247-F253 HydrophobicContact CB-CG 4.09Å; L247-F253 HydrophobicContact CB-CZ 4.42Å; L247-F253 HydrophobicContact CD1-CD2 4.1Å; L247-F253 HydrophobicContact CD1-CE2 3.84Å; L247-F253 HydrophobicContact CD1-CZ 4.22Å; L247-F253 HydrophobicContact CD2-CB 4.1Å; L247-F253 HydrophobicContact CD2-CD2 3.69Å; L247-F253 HydrophobicContact CD2-CE2 4.31Å; L247-F253 HydrophobicContact CD2-CG 3.85Å; L247-F253 HydrophobicContact CG-CD2 4.26Å; L247-F253 HydrophobicContact CG-CE2 4.44Å; L247-F253 HydrophobicContact CG-CG 4.39Å; L247-F253 WeakPolarHBondContact O-CD1 3.34Å; L247-M265 HydrophobicContact CB-CE 3.6Å; L247-M265 HydrophobicContact CD1-CE 4.28Å
248	V	97.1	Very high	96.6	Very high	10 Å²	10	43.5 Å²	43.5	6%	0.061	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.3	176.8	-61	0	0	0	0	113	T244 G245 V246 N250 M265 P267 K270	T244-V248 VanDerWaalsContact O-CG1 3.24Å; T244-V248 WeakPolarHBondContact O-CG1 3.37Å; T244-V248 WeakPolarHBondContact O-CG2 3.4Å; T244-V248 PolarHBondContact O-N 3.3Å; G245-V248 WeakPolarHBondContact O-CG2 3.36Å; V246-V248 VanDerWaalsContact C-N 3.31Å; V246-V248 PolarHBondContact O-N 3.32Å; V248-N250 VanDerWaalsContact C-N 3.33Å; V248-M265 HydrophobicContact CG1-CE 4Å; V248-M265 HydrophobicContact CG1-SD 3.83Å; V248-P267 HydrophobicContact CB-CG 4.14Å; V248-K270 PolarHBondContact O-NZ 3.48Å
249	N	96.9	Very high	96.8	Very high	20 Å²	20	44 Å²	44	11%	0.107	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.3	176	-68.4	-40.5	0	0	0	112.9	L148 Q151 N175 G245 V246 L247 C271	L148-N249 VanDerWaalsContact CD2-ND2 3.26Å; L148-N249 WeakPolarHBondContact CD2-ND2 3.5Å; Q151-N249 PolarHBondContact OE1-ND2 2.79Å; Q151-N249 PolarHBondContact OE1-OD1 2.95Å; N175-N249 PolarHBondContact OD1-ND2 3.3Å; N175-N249 VanDerWaalsContact OD1-ND2 3.15Å; G245-N249 PolarHBondContact O-ND2 2.94Å; G245-N249 VanDerWaalsContact O-ND2 3.08Å; V246-N249 PolarHBondContact O-N 3.46Å; V246-N249 VanDerWaalsContact O-N 3.13Å; L247-N249 PolarHBondContact O-N 2.9Å; N249-C271 PolarHBondContact OD1-N 3.21Å
250	N	96.8	Very high	97	Very high	18 Å²	18	46 Å²	46	10%	0.096	24%	0.235	C	C	.	.			trans	-98.5	106.7	-171.9	-166.7	-54	0	0	0	112.3	V246 L247 V248 R252 F253 A254	V246-N250 PolarHBondContact O-N 3.27Å; L247-N250 PolarHBondContact O-N 3.42Å; V248-N250 VanDerWaalsContact C-N 3.33Å; N250-R252 VanDerWaalsContact C-N 3.26Å; N250-R252 PolarHBondContact O-N 3.37Å; N250-R252 WeakPolarHBondContact OD1-CA 3.28Å; N250-R252 VanDerWaalsContact OD1-CB 3.25Å; N250-R252 WeakPolarHBondContact OD1-CB 3.44Å; N250-R252 PolarHBondContact OD1-N 3.31Å; N250-F253 HydrophobicContact CB-CB 3.95Å; N250-F253 WeakPolarHBondContact O-CB 3.36Å; N250-F253 PolarHBondContact O-N 2.99Å; N250-F253 PolarHBondContact OD1-N 3.41Å; N250-A254 PolarHBondContact O-N 2.71Å; N250-A254 VanDerWaalsContact O-N 3.16Å
251	N	95.9	Very high	97.2	Very high	110 Å²	110	44.2 Å²	44.2	59%	0.588	24%	0.236	S	C	*	.	H	α-helix	trans	-63.1	-29.9	176.8	-75.3	-34	0	0	0	113.6	A254 R255 K270	N251-A254 PolarHBondContact O-N 2.9Å; N251-R255 WeakPolarHBondContact O-CB 3.29Å; N251-R255 PolarHBondContact O-N 2.76Å; N251-K270 WeakPolarHBondContact OD1-CD 3.28Å; N251-K270 WeakPolarHBondContact OD1-CE 3.43Å
252	R	96.2	Very high	97.3	Very high	100 Å²	100	45.5 Å²	45.5	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-71.8	-37.1	179	-58	-69.7	-177.3	152.2	-4.5	110.9	F182 F211 N250 R255 A256	F182-R252 HydrophobicContact CD1-CB 4.17Å; F182-R252 HydrophobicContact CD1-CG 3.96Å; F182-R252 HydrophobicContact CE1-CB 3.66Å; F182-R252 HydrophobicContact CE1-CG 3.53Å; F182-R252 HydrophobicContact CE2-CB 4.33Å; F182-R252 HydrophobicContact CZ-CB 3.76Å; F182-R252 HydrophobicContact CZ-CG 4.14Å; F211-R252 HydrophobicContact CE2-CB 4.49Å; F211-R252 HydrophobicContact CZ-CB 3.98Å; N250-R252 VanDerWaalsContact C-N 3.26Å; N250-R252 PolarHBondContact O-N 3.37Å; N250-R252 WeakPolarHBondContact OD1-CA 3.28Å; N250-R252 VanDerWaalsContact OD1-CB 3.25Å; N250-R252 WeakPolarHBondContact OD1-CB 3.44Å; N250-R252 PolarHBondContact OD1-N 3.31Å; R252-R255 PolarHBondContact O-N 3.37Å; R252-A256 WeakPolarHBondContact O-CB 3.27Å; R252-A256 PolarHBondContact O-N 2.8Å
253	F	98	Very high	97.3	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-52.6	170.3	166	-96.2	0	0	0	111.1	F211 L247 N250 R255 A256 Y257 M265	F211-F253 HydrophobicContact CB-CD2 3.97Å; F211-F253 HydrophobicContact CD1-CB 4Å; F211-F253 HydrophobicContact CD1-CD2 4.17Å; F211-F253 HydrophobicContact CD2-CB 4.16Å; F211-F253 HydrophobicContact CD2-CD2 4.08Å; F211-F253 HydrophobicContact CE1-CB 3.79Å; F211-F253 VanDerWaalsContact CE2-CA 3.41Å; F211-F253 HydrophobicContact CE2-CB 3.98Å; F211-F253 HydrophobicContact CG-CB 4.2Å; F211-F253 AromaticContact CG-CD2 3.81Å; F211-F253 HydrophobicContact CG-CD2 3.81Å; F211-F253 HydrophobicContact CZ-CB 3.79Å; F211-F253 VanDerWaalsContact CZ-N 3.32Å; L247-F253 HydrophobicContact CB-CD1 3.97Å; L247-F253 HydrophobicContact CB-CD2 4.36Å; L247-F253 HydrophobicContact CB-CE1 4.18Å; L247-F253 HydrophobicContact CB-CE2 4.5Å; L247-F253 HydrophobicContact CB-CG 4.09Å; L247-F253 HydrophobicContact CB-CZ 4.42Å; L247-F253 HydrophobicContact CD1-CD2 4.1Å; L247-F253 HydrophobicContact CD1-CE2 3.84Å; L247-F253 HydrophobicContact CD1-CZ 4.22Å; L247-F253 HydrophobicContact CD2-CB 4.1Å; L247-F253 HydrophobicContact CD2-CD2 3.69Å; L247-F253 HydrophobicContact CD2-CE2 4.31Å; L247-F253 HydrophobicContact CD2-CG 3.85Å; L247-F253 HydrophobicContact CG-CD2 4.26Å; L247-F253 HydrophobicContact CG-CE2 4.44Å; L247-F253 HydrophobicContact CG-CG 4.39Å; L247-F253 WeakPolarHBondContact O-CD1 3.34Å; N250-F253 HydrophobicContact CB-CB 3.95Å; N250-F253 WeakPolarHBondContact O-CB 3.36Å; N250-F253 PolarHBondContact O-N 2.99Å; N250-F253 PolarHBondContact OD1-N 3.41Å; F253-R255 PolarHBondContact O-N 3.06Å; F253-A256 PolarHBondContact O-N 3.25Å; F253-Y257 AromaticContact CD2-CD2 3.55Å; F253-Y257 HydrophobicContact CD2-CD2 3.55Å; F253-Y257 AromaticContact CD2-CE2 3.72Å; F253-Y257 HydrophobicContact CD2-CE2 3.72Å; F253-Y257 AromaticContact CE2-CD2 3.34Å; F253-Y257 HydrophobicContact CE2-CD2 3.34Å; F253-Y257 AromaticContact CE2-CE2 3.52Å; F253-Y257 HydrophobicContact CE2-CE2 3.52Å; F253-Y257 HydrophobicContact CE2-CG 4.04Å; F253-Y257 HydrophobicContact CG-CD2 4.45Å; F253-Y257 HydrophobicContact CZ-CD2 4.06Å; F253-Y257 HydrophobicContact CZ-CG 4.38Å; F253-Y257 PolarHBondContact O-N 3.01Å; F253-M265 HydrophobicContact CE1-CB 3.96Å; F253-M265 HydrophobicContact CE1-CE 3.96Å; F253-M265 HydrophobicContact CZ-CE 4.12Å
254	A	97.9	Very high	97.2	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-40.5	179.6	0	0	0	0	0	111.8	N250 N251 G258 C259 N266	N250-A254 PolarHBondContact O-N 2.71Å; N250-A254 VanDerWaalsContact O-N 3.16Å; N251-A254 PolarHBondContact O-N 2.9Å; A254-G258 CarbonylContact O-C 3.6Å; A254-G258 WeakPolarHBondContact O-CA 3.49Å; A254-G258 PolarHBondContact O-N 3.35Å; A254-C259 HydrophobicContact CB-CB 4.19Å; A254-C259 PolarHBondContact O-N 3.29Å; A254-N266 HydrophobicContact CB-CB 3.94Å; A254-N266 VanDerWaalsContact CB-CG 3.48Å
255	R	97	Very high	97.2	Very high	144 Å²	144	51.4 Å²	51.4	54%	0.543	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-45.8	173.8	-177.1	-177.4	175.8	-167	-0.4	112.6	L204 N251 R252 F253 Y257 G258	L204-R255 HydrophobicContact CD2-CG 4.5Å; N251-R255 WeakPolarHBondContact O-CB 3.29Å; N251-R255 PolarHBondContact O-N 2.76Å; R252-R255 PolarHBondContact O-N 3.37Å; F253-R255 PolarHBondContact O-N 3.06Å; R255-Y257 PolarHBondContact O-N 2.97Å; R255-G258 PolarHBondContact O-N 2.99Å
256	A	97.3	Very high	97.3	Very high	1 Å²	1	52 Å²	52	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-38.4	-178.2	0	0	0	0	0	112	D207 R208 F211 R252 F253	D207-A256 HydrophobicContact CB-CB 3.99Å; R208-A256 HydrophobicContact CG-CB 4.23Å; R208-A256 WeakPolarHBondContact CG-O 3.34Å; R208-A256 PolarHBondContact NE-O 2.99Å; R208-A256 PolarHBondContact NH2-O 3.47Å; F211-A256 HydrophobicContact CD2-CB 4.06Å; F211-A256 HydrophobicContact CE2-CB 4Å; R252-A256 WeakPolarHBondContact O-CB 3.27Å; R252-A256 PolarHBondContact O-N 2.8Å; F253-A256 PolarHBondContact O-N 3.25Å
257	Y	97.8	Very high	97.3	Very high	94 Å²	94	54 Å²	54	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-98.2	-0.2	-179	-73.5	-92	0	0	0	114.4	R208 F211 F253 R255 C259	R208-Y257 HydrophobicContact CB-CE1 4.43Å; R208-Y257 HydrophobicContact CB-CE2 4.2Å; R208-Y257 HydrophobicContact CG-CD1 4.39Å; R208-Y257 HydrophobicContact CG-CD2 4.26Å; R208-Y257 HydrophobicContact CG-CE1 4.1Å; R208-Y257 HydrophobicContact CG-CE2 3.95Å; R208-Y257 HydrophobicContact CG-CG 4.46Å; R208-Y257 PolarHBondContact O-OH 3.13Å; F211-Y257 HydrophobicContact CB-CE2 3.99Å; F211-Y257 HydrophobicContact CD2-CE2 4.25Å; F253-Y257 AromaticContact CD2-CD2 3.55Å; F253-Y257 HydrophobicContact CD2-CD2 3.55Å; F253-Y257 AromaticContact CD2-CE2 3.72Å; F253-Y257 HydrophobicContact CD2-CE2 3.72Å; F253-Y257 AromaticContact CE2-CD2 3.34Å; F253-Y257 HydrophobicContact CE2-CD2 3.34Å; F253-Y257 AromaticContact CE2-CE2 3.52Å; F253-Y257 HydrophobicContact CE2-CE2 3.52Å; F253-Y257 HydrophobicContact CE2-CG 4.04Å; F253-Y257 HydrophobicContact CG-CD2 4.45Å; F253-Y257 HydrophobicContact CZ-CD2 4.06Å; F253-Y257 HydrophobicContact CZ-CG 4.38Å; F253-Y257 PolarHBondContact O-N 3.01Å; R255-Y257 PolarHBondContact O-N 2.97Å; Y257-C259 VanDerWaalsContact C-N 3.29Å; Y257-C259 PolarHBondContact O-N 2.89Å
258	G	97	Very high	97.2	Very high	59 Å²	59	62.3 Å²	62.3	61%	0.608	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	32.6	-178.9	0	0	0	0	0	113.6	A254 R255 P260	A254-G258 CarbonylContact O-C 3.6Å; A254-G258 WeakPolarHBondContact O-CA 3.49Å; A254-G258 PolarHBondContact O-N 3.35Å; R255-G258 PolarHBondContact O-N 2.99Å; G258-P260 WeakPolarHBondContact O-CD 3.47Å
259	C	98.2	Very high	97.1	Very high	28 Å²	28	68.7 Å²	68.7	19%	0.189	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-68.3	121.4	-177.3	-59.2	0	0	0	0	110.9	A254 Y257 N266	A254-C259 HydrophobicContact CB-CB 4.19Å; A254-C259 PolarHBondContact O-N 3.29Å; Y257-C259 VanDerWaalsContact C-N 3.29Å; Y257-C259 PolarHBondContact O-N 2.89Å; C259-N266 HydrophobicContact CB-CB 3.68Å; C259-N266 PolarHBondContact O-ND2 3.45Å
260	P	98.1	Very high	97	Very high	96 Å²	96	69.8 Å²	69.8	62%	0.623	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-61.4	145	176.4	-22.3	33.4	0	0	0	111.8	G258 G262 S263	G258-P260 WeakPolarHBondContact O-CD 3.47Å; P260-G262 PolarHBondContact O-N 2.99Å; P260-S263 VanDerWaalsContact O-CB 3.26Å; P260-S263 WeakPolarHBondContact O-CB 3.34Å; P260-S263 PolarHBondContact O-N 3.24Å; P260-S263 PolarHBondContact O-OG 3.47Å
261	V	97.7	Very high	96.8	Very high	107 Å²	107	69.5 Å²	69.5	65%	0.648	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	129.1	175.1	177.5	0	0	0	0	109.7	K268	V261-K268 HydrophobicContact CG1-CG 3.68Å
262	G	97.2	Very high	96.3	Very high	50 Å²	50	69.2 Å²	69.2	52%	0.515	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-6.3	-175	0	0	0	0	0	114.6	P260 N266	P260-G262 PolarHBondContact O-N 2.99Å; G262-N266 PolarHBondContact N-O 2.92Å
263	S	97.7	Very high	95.3	Very high	30 Å²	30	65.2 Å²	65.2	21%	0.21	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-65	157.8	168.7	63.9	0	0	0	0	111	P260 M265 N266	P260-S263 VanDerWaalsContact O-CB 3.26Å; P260-S263 WeakPolarHBondContact O-CB 3.34Å; P260-S263 PolarHBondContact O-N 3.24Å; P260-S263 PolarHBondContact O-OG 3.47Å; S263-M265 PolarHBondContact O-N 2.81Å; S263-N266 CarbonylContact O-C 3.59Å; S263-N266 VanDerWaalsContact O-C 3.25Å; S263-N266 PolarHBondContact O-N 3.49Å; S263-N266 PolarHBondContact OG-N 2.81Å
264	P	96.4	Very high	94	Very high	125 Å²	125	71.3 Å²	71.3	81%	0.812	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.5	-178.4	-29.7	36.1	0	0	0	114.4
265	M	97.3	Very high	93.8	Very high	54 Å²	54	74.6 Å²	74.6	27%	0.266	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	5.4	179.6	-64.6	-60	-60.9	0	0	114.2	T244 L247 V248 F253 S263	T244-M265 HydrophobicContact CG2-SD 4.42Å; L247-M265 HydrophobicContact CB-CE 3.6Å; L247-M265 HydrophobicContact CD1-CE 4.28Å; V248-M265 HydrophobicContact CG1-CE 4Å; V248-M265 HydrophobicContact CG1-SD 3.83Å; F253-M265 HydrophobicContact CE1-CB 3.96Å; F253-M265 HydrophobicContact CE1-CE 3.96Å; F253-M265 HydrophobicContact CZ-CE 4.12Å; S263-M265 PolarHBondContact O-N 2.81Å
266	N	98	Very high	93.6	Very high	13 Å²	13	70.9 Å²	70.9	7%	0.07	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-144.2	65.5	173.1	-171.9	24	0	0	0	111.4	A254 C259 G262 S263 K270	A254-N266 HydrophobicContact CB-CB 3.94Å; A254-N266 VanDerWaalsContact CB-CG 3.48Å; C259-N266 HydrophobicContact CB-CB 3.68Å; C259-N266 PolarHBondContact O-ND2 3.45Å; G262-N266 PolarHBondContact N-O 2.92Å; S263-N266 CarbonylContact O-C 3.59Å; S263-N266 VanDerWaalsContact O-C 3.25Å; S263-N266 PolarHBondContact O-N 3.49Å; S263-N266 PolarHBondContact OG-N 2.81Å; N266-K270 WeakPolarHBondContact OD1-CE 3.33Å; N266-K270 PolarHBondContact OD1-NZ 2.72Å
267	P	96.7	Very high	93.4	Very high	42 Å²	42	74.8 Å²	74.8	27%	0.273	42%	0.423	S	S	.	.			trans	-62.4	154.7	177.5	28.3	-36	0	0	0	111.4	V248 L269 K270	V248-P267 HydrophobicContact CB-CG 4.14Å; P267-L269 WeakPolarHBondContact CG-O 3.32Å; P267-K270 HydrophobicContact CG-CG 4.48Å; P267-K270 WeakPolarHBondContact O-CE 3.47Å
268	K	96.2	Very high	93.2	Very high	185 Å²	185	73.7 Å²	73.7	80%	0.804	43%	0.426	S	S	*	.	S	Bend	trans	-63.5	-43.7	176.7	-72.4	179.6	179.6	179.8	0	111.9	V261	V261-K268 HydrophobicContact CG1-CG 3.68Å
269	L	94	Very high	92.9	Very high	144 Å²	144	74.6 Å²	74.6	75%	0.754	42%	0.415	S	S	*	.	S	Bend	trans	-91.2	126.9	175.7	-170.4	72.2	0	0	0	108.7	P267	P267-L269 WeakPolarHBondContact CG-O 3.32Å
270	K	95.2	Very high	92.6	Very high	42 Å²	42	77.7 Å²	77.7	18%	0.183	43%	0.43	C	S	.	.			trans	-127.3	142.4	175.6	-65.7	174.2	-174.9	-87.5	0	108.6	V248 N251 N266 P267	V248-K270 PolarHBondContact O-NZ 3.48Å; N251-K270 WeakPolarHBondContact OD1-CD 3.28Å; N251-K270 WeakPolarHBondContact OD1-CE 3.43Å; N266-K270 WeakPolarHBondContact OD1-CE 3.33Å; N266-K270 PolarHBondContact OD1-NZ 2.72Å; P267-K270 HydrophobicContact CG-CG 4.48Å; P267-K270 WeakPolarHBondContact O-CE 3.47Å
271	C	93.6	Very high	92.2	Very high	13 Å²	13	76.4 Å²	76.4	9%	0.088	42%	0.416	C	S	.	.			trans	-83.5	134	172.6	-59.5	0	0	0	0	109.8	C147 L148 N249	C147-C271 HydrophobicContact CB-CB 3.8Å; C147-C271 WeakPolarHBondContact CB-SG 3.47Å; C147-C271 PolarHBondContact O-SG 3.39Å; C147-C271 WeakPolarHBondContact SG-CA 3.37Å; C147-C271 WeakPolarHBondContact SG-CB 3.4Å; C147-C271 CovalentContact SG-SG 2.04Å; C147-C271 PolarHBondContact SG-SG 3.14Å; L148-C271 HydrophobicContact CD2-CB 3.54Å; L148-C271 HydrophobicContact CG-CB 3.81Å; N249-C271 PolarHBondContact OD1-N 3.21Å
272	D	85.6	Confident	91.8	Very high	104 Å²	104	74.1 Å²	74.1	56%	0.556	40%	0.398	S	S	*	.			trans	-135	135.3	174.1	-160.4	16.2	0	0	0	109.6	K179	K179-D272 IonicContact NZ-OD1 3.21Å; K179-D272 PolarHBondContact NZ-OD1 3.28Å; K179-D272 IonicContact NZ-OD2 4Å; K179-D272 PolarHBondContact NZ-OD2 3.12Å
273	V	75.4	Confident	91.3	Very high	16 Å²	16	76.1 Å²	76.1	10%	0.097	39%	0.388	C	S	.	.			trans	-118.9	-64	-173.5	-178.3	0	0	0	0	111.3	M141 K144 L148 L172	M141-V273 HydrophobicContact CE-CG1 4.4Å; M141-V273 HydrophobicContact SD-CG1 4.23Å; K144-V273 HydrophobicContact CB-CB 4.14Å; K144-V273 HydrophobicContact CB-CG1 3.52Å; K144-V273 HydrophobicContact CB-CG2 3.85Å; K144-V273 HydrophobicContact CG-CG1 3.98Å; L148-V273 HydrophobicContact CD1-CG2 3.83Å; L172-V273 HydrophobicContact CD2-CB 4.01Å; L172-V273 HydrophobicContact CD2-CG1 3.71Å; L172-V273 HydrophobicContact CD2-CG2 3.62Å
274	W	69.8	Low	90.7	Very high	145 Å²	145	80.3 Å²	80.3	55%	0.549	41%	0.405	S	S	.	.			trans	-112	0	174.7	-67.1	125.6	0	0	0	110.5	M141 N176 K179	M141-W274 HydrophobicContact CE-CD2 4.27Å; M141-W274 HydrophobicContact CE-CH2 3.47Å; M141-W274 VanDerWaalsContact CE-CH2 3.47Å; M141-W274 HydrophobicContact CE-CZ2 3.14Å; M141-W274 HydrophobicContact CE-CZ3 4.16Å; M141-W274 HydrophobicContact CG-CZ2 4.36Å; M141-W274 HydrophobicContact SD-CD2 4.49Å; M141-W274 HydrophobicContact SD-CH2 4.19Å; M141-W274 HydrophobicContact SD-CZ2 3.24Å; M141-W274 WeakPolarHBondContact SD-CZ2 3.22Å; M141-W274 PolarHBondContact SD-NE1 3.3Å; M141-W274 VanDerWaalsContact SD-NE1 3.44Å; N176-W274 VanDerWaalsContact ND2-CD1 3.26Å; N176-W274 PolarHBondContact OD1-N 3.43Å; K179-W274 WeakPolarHBondContact CD-O 3.3Å; K179-W274 WeakPolarHBondContact CE-O 3.36Å; K179-W274 VanDerWaalsContact NZ-C 3.33Å; K179-W274 PolarHBondContact NZ-O 3.32Å; K179-W274 PolarHBondContact NZ-OXT 2.94Å

Retrieved 274 of 274 residues in 77.3 ms (Link to these results)

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