A0A3Q0KH15_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KH15, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 422 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	47.3	Very low	74.8	Confident	163 Å²	163	74.6 Å²	74.6	80%	0.803	39%	0.39	S	S	*	.				0	111.2	0	-158.2	-179.5	-148.9	0	0	106.3	S3 E72	M1-S3 PolarHBondContact O-N 3.27Å; M1-E72 PolarHBondContact N-OE1 3.01Å
2	V	56.3	Low	76.5	Confident	29 Å²	29	73.3 Å²	73.3	18%	0.176	38%	0.379	C	S	.	.			trans	-56.9	130.1	171.6	-177.3	0	0	0	0	107.1	L4 V88 E90	V2-L4 PolarHBondContact O-N 3.09Å; V2-V88 VanDerWaalsContact CG1-O 3.28Å; V2-V88 WeakPolarHBondContact CG1-O 3.41Å; V2-E90 HydrophobicContact CG1-CB 3.62Å; V2-E90 HydrophobicContact CG2-CB 4.42Å
3	S	55.7	Low	78	Confident	27 Å²	27	73.2 Å²	73.2	19%	0.189	37%	0.374	C	S	.	.			trans	-58.3	135.6	-176.9	-177.1	0	0	0	0	109.6	M1 Q5 D87 V88	M1-S3 PolarHBondContact O-N 3.27Å; S3-Q5 PolarHBondContact O-N 2.94Å; S3-Q5 WeakPolarHBondContact OG-CB 3.11Å; S3-Q5 WeakPolarHBondContact OG-CG 3.35Å; S3-Q5 PolarHBondContact OG-N 3.37Å; S3-D87 VanDerWaalsContact CB-OD1 3.29Å; S3-D87 WeakPolarHBondContact CB-OD1 3.46Å; S3-D87 WeakPolarHBondContact CB-OD2 3.37Å; S3-D87 PolarHBondContact OG-OD2 3.16Å; S3-D87 VanDerWaalsContact OG-OD2 3.05Å; S3-V88 PolarHBondContact N-O 3.36Å
4	L	54.3	Low	79.1	Confident	177 Å²	177	77.1 Å²	77.1	93%	0.927	39%	0.39	S	S	*	.	S	Bend	trans	-65.6	0.1	171.7	-73.6	167.5	0	0	0	112.3	V2	V2-L4 PolarHBondContact O-N 3.09Å
5	Q	69	Low	80	Confident	84 Å²	84	78.4 Å²	78.4	39%	0.393	40%	0.397	S	S	.	.			trans	-77.2	125.2	178.2	-62.2	177.2	2.2	0	0	109.5	S3 L89	S3-Q5 PolarHBondContact O-N 2.94Å; S3-Q5 WeakPolarHBondContact OG-CB 3.11Å; S3-Q5 WeakPolarHBondContact OG-CG 3.35Å; S3-Q5 PolarHBondContact OG-N 3.37Å; Q5-L89 HydrophobicContact CB-CD2 4.41Å; Q5-L89 WeakPolarHBondContact O-CD2 3.41Å
6	S	80.8	Confident	80.7	Confident	59 Å²	59	78.6 Å²	78.6	41%	0.413	40%	0.399	S	S	.	.			trans	-67.7	147.3	174.8	-176	0	0	0	0	110.6	D8 H9	S6-D8 WeakPolarHBondContact CB-OD2 3.26Å; S6-D8 PolarHBondContact O-N 2.95Å; S6-D8 VanDerWaalsContact O-N 3.11Å; S6-D8 PolarHBondContact OG-N 3.18Å; S6-D8 PolarHBondContact OG-OD2 3.07Å; S6-H9 PolarHBondContact O-CE1 3.17Å; S6-H9 PolarHBondContact O-ND1 2.87Å
7	I	90.1	Very high	80.8	Confident	17 Å²	17	75.7 Å²	75.7	9%	0.087	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-59.4	-18.1	170.2	-169.2	64.9	0	0	0	112.6	H9 Y10 F12 I39 L89 Y96	I7-H9 PolarHBondContact O-N 3.44Å; I7-Y10 HydrophobicContact CD1-CD2 4.04Å; I7-Y10 PolarHBondContact O-N 3.43Å; I7-F12 HydrophobicContact CD1-CE2 4.14Å; I7-F12 HydrophobicContact CD1-CZ 3.8Å; I7-F12 HydrophobicContact CG1-CE2 3.69Å; I7-F12 HydrophobicContact CG1-CZ 3.74Å; I7-I39 HydrophobicContact CD1-CD1 4.05Å; I7-I39 HydrophobicContact CD1-CG2 4.42Å; I7-L89 HydrophobicContact CB-CD1 4.22Å; I7-L89 HydrophobicContact CD1-CD1 3.78Å; I7-Y96 HydrophobicContact CB-CD2 4.26Å; I7-Y96 HydrophobicContact CB-CE2 4.29Å; I7-Y96 HydrophobicContact CD1-CD1 3.75Å; I7-Y96 HydrophobicContact CD1-CD2 4.21Å; I7-Y96 HydrophobicContact CD1-CE1 4.36Å; I7-Y96 HydrophobicContact CD1-CG 3.66Å; I7-Y96 HydrophobicContact CG1-CD1 3.92Å; I7-Y96 HydrophobicContact CG1-CD2 4.14Å; I7-Y96 HydrophobicContact CG1-CE1 4.02Å; I7-Y96 HydrophobicContact CG1-CE2 4.24Å; I7-Y96 HydrophobicContact CG1-CG 3.97Å; I7-Y96 HydrophobicContact CG2-CE2 4.24Å
8	D	88.8	Confident	80.9	Confident	126 Å²	126	77.8 Å²	77.8	67%	0.674	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-59.1	-19.8	-174	-59.8	-35.5	0	0	0	115.5	S6 Y10	S6-D8 WeakPolarHBondContact CB-OD2 3.26Å; S6-D8 PolarHBondContact O-N 2.95Å; S6-D8 VanDerWaalsContact O-N 3.11Å; S6-D8 PolarHBondContact OG-N 3.18Å; S6-D8 PolarHBondContact OG-OD2 3.07Å; D8-Y10 VanDerWaalsContact C-N 3.28Å
9	H	90.8	Very high	80.4	Confident	27 Å²	27	76.1 Å²	76.1	13%	0.125	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-84.7	-1.3	176.8	69.7	-87	0	0	0	113.4	S6 I7 D29 Q30 R31	S6-H9 PolarHBondContact O-CE1 3.17Å; S6-H9 PolarHBondContact O-ND1 2.87Å; I7-H9 PolarHBondContact O-N 3.44Å; H9-D29 IonicContact CD2-OD1 2.78Å; H9-D29 PolarHBondContact CD2-OD1 3.45Å; H9-Q30 VanDerWaalsContact O-CB 3.24Å; H9-Q30 WeakPolarHBondContact O-CB 3.43Å; H9-Q30 WeakPolarHBondContact O-CG 3.22Å; H9-Q30 PolarHBondContact O-N 2.91Å; H9-R31 HydrophobicContact CB-CG 4.21Å; H9-R31 PolarHBondContact CD2-NE 2.83Å; H9-R31 PolarHBondContact CD2-NH2 3.35Å; H9-R31 PolarHBondContact NE2-NE 2.87Å; H9-R31 PolarHBondContact NE2-NH1 2.86Å; H9-R31 PolarHBondContact NE2-NH2 2.98Å
10	Y	94.6	Very high	79.8	Confident	18 Å²	18	76.7 Å²	76.7	7%	0.071	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.5	172.2	-74.6	-71.4	0	0	0	110.4	I7 D8 F12 A27 E28 D29 V37 I39 L89 V98	I7-Y10 HydrophobicContact CD1-CD2 4.04Å; I7-Y10 PolarHBondContact O-N 3.43Å; D8-Y10 VanDerWaalsContact C-N 3.28Å; Y10-F12 PolarHBondContact O-N 3.29Å; Y10-A27 HydrophobicContact CD1-CB 4.28Å; Y10-E28 WeakPolarHBondContact CA-O 3.43Å; Y10-D29 HydrophobicContact CD1-CB 4.17Å; Y10-D29 HydrophobicContact CE1-CB 3.69Å; Y10-V37 HydrophobicContact CD1-CG2 3.76Å; Y10-V37 HydrophobicContact CE1-CG1 4.5Å; Y10-V37 HydrophobicContact CE1-CG2 3.55Å; Y10-I39 HydrophobicContact CD1-CD1 3.9Å; Y10-I39 HydrophobicContact CD2-CD1 3.92Å; Y10-I39 HydrophobicContact CG-CD1 3.57Å; Y10-L89 HydrophobicContact CD2-CD1 4.2Å; Y10-L89 HydrophobicContact CE2-CD1 4.03Å; Y10-V98 HydrophobicContact CE1-CG1 4.2Å; Y10-V98 HydrophobicContact CE2-CG1 4.26Å; Y10-V98 HydrophobicContact CE2-CG2 3.87Å
11	E	95.7	Very high	79.4	Confident	94 Å²	94	77.7 Å²	77.7	44%	0.439	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	105.3	171.7	-170.9	179.3	158.6	0	0	109.8	A27 E28 Q30	E11-A27 WeakPolarHBondContact O-CA 3.18Å; E11-E28 PolarHBondContact N-O 3.42Å; E11-E28 PolarHBondContact O-N 3.43Å; E11-Q30 HydrophobicContact CB-CG 4.1Å
12	F	95.2	Very high	81	Confident	59 Å²	59	70.8 Å²	70.8	26%	0.259	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.9	177.4	-72.7	-89.6	0	0	0	112.3	I7 Y10 R25 I39 Y96	I7-F12 HydrophobicContact CD1-CE2 4.14Å; I7-F12 HydrophobicContact CD1-CZ 3.8Å; I7-F12 HydrophobicContact CG1-CE2 3.69Å; I7-F12 HydrophobicContact CG1-CZ 3.74Å; Y10-F12 PolarHBondContact O-N 3.29Å; F12-R25 HydrophobicContact CD1-CB 3.84Å; F12-R25 HydrophobicContact CD1-CG 4.43Å; F12-R25 HydrophobicContact CE1-CB 4.41Å; F12-I39 HydrophobicContact CE1-CB 4.04Å; F12-I39 HydrophobicContact CE1-CD1 4.18Å; F12-I39 HydrophobicContact CE1-CG2 3.95Å; F12-I39 HydrophobicContact CZ-CD1 4.25Å; F12-I39 HydrophobicContact CZ-CG2 4.21Å; F12-Y96 HydrophobicContact CZ-CD1 4.04Å; F12-Y96 AromaticContact CZ-CE1 3.97Å; F12-Y96 HydrophobicContact CZ-CE1 3.97Å
13	K	95.1	Very high	82.6	Confident	71 Å²	71	72 Å²	72	31%	0.309	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-136.8	177.8	-54.2	-162.9	179.4	-161.1	0	110.4	R25 L26 E28 F36	K13-R25 PolarHBondContact O-NE 3.49Å; K13-R25 PolarHBondContact O-NH2 3.15Å; K13-L26 WeakPolarHBondContact CA-O 3.3Å; K13-L26 HydrophobicContact CB-CB 4.19Å; K13-L26 HydrophobicContact CB-CD2 4.13Å; K13-L26 HydrophobicContact CB-CG 4.15Å; K13-L26 HydrophobicContact CD-CD2 4.25Å; K13-L26 PolarHBondContact N-O 2.91Å; K13-E28 VanDerWaalsContact CE-OE2 3.3Å; K13-E28 WeakPolarHBondContact CE-OE2 3.43Å; K13-E28 IonicContact NZ-OE2 2.95Å; K13-E28 PolarHBondContact NZ-OE2 3.31Å; K13-F36 HydrophobicContact CD-CE1 4.15Å
14	E	93.9	Very high	84.3	Confident	129 Å²	129	72.1 Å²	72.1	60%	0.603	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	160.5	-177	66.4	-170.2	167.7	0	0	113.9	L16 R25 L26	E14-L16 HydrophobicContact CG-CD2 4.43Å; E14-R25 WeakPolarHBondContact O-CA 3.41Å; E14-L26 HydrophobicContact CG-CB 4.17Å; E14-L26 HydrophobicContact CG-CD2 4.24Å; E14-L26 PolarHBondContact O-N 2.87Å
15	I	93.3	Very high	86.3	Confident	96 Å²	96	67 Å²	67	49%	0.492	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.3	174.9	-62.3	170.3	0	0	0	108.4	G17 T18 R25	I15-G17 WeakPolarHBondContact CG2-O 3.36Å; I15-T18 HydrophobicContact CG2-CG2 3.82Å; I15-R25 HydrophobicContact CG1-CG 4.13Å
16	L	89.9	Confident	87.6	Confident	82 Å²	82	64.1 Å²	64.1	43%	0.429	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-32.3	176.7	-60.1	176.3	0	0	0	111.7	E14 V24 L26 A38 L101	E14-L16 HydrophobicContact CG-CD2 4.43Å; L16-V24 HydrophobicContact CB-CG1 4.29Å; L16-V24 HydrophobicContact CD1-CG1 4.44Å; L16-V24 PolarHBondContact N-O 3.47Å; L16-L26 HydrophobicContact CD1-CB 4.12Å; L16-L26 HydrophobicContact CD2-CB 4.19Å; L16-L26 HydrophobicContact CG-CB 4.14Å; L16-A38 HydrophobicContact CD1-CB 4.07Å; L16-L101 HydrophobicContact CD1-CD1 3.65Å
17	G	83.8	Confident	88.4	Confident	29 Å²	29	61.3 Å²	61.3	30%	0.299	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	158	-179.5	0	0	0	0	0	113	I15 V24	I15-G17 WeakPolarHBondContact CG2-O 3.36Å; G17-V24 PolarHBondContact N-O 2.95Å; G17-V24 PolarHBondContact O-N 3.28Å
18	T	81.9	Confident	88.7	Confident	114 Å²	114	62 Å²	62	70%	0.699	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.4	175.3	54.6	0	0	0	0	109.7	I15	I15-T18 HydrophobicContact CG2-CG2 3.82Å
19	G	71.6	Confident	89	Confident	45 Å²	45	56.4 Å²	56.4	46%	0.464	31%	0.309	S	S	.	.			trans	-118	-177.6	171.6	0	0	0	0	0	110.7	F21 S22	G19-F21 VanDerWaalsContact C-N 3.3Å; G19-F21 PolarHBondContact O-N 2.86Å; G19-S22 PolarHBondContact N-O 2.94Å
20	A	68	Low	89.1	Confident	87 Å²	87	60 Å²	60	72%	0.719	33%	0.326	S	S	*	.	S	Bend	trans	-61	-39	-179.7	0	0	0	0	0	112.6
21	F	71.3	Confident	89	Confident	98 Å²	98	64.4 Å²	64.4	43%	0.43	34%	0.342	S	S	.	.	S	Bend	trans	-124.6	1.6	-173.8	-49.3	-66.6	0	0	0	113.8	G19 R43 Y46	G19-F21 VanDerWaalsContact C-N 3.3Å; G19-F21 PolarHBondContact O-N 2.86Å; F21-R43 PolarHBondContact O-N 3.44Å; F21-Y46 HydrophobicContact CB-CD2 4.22Å; F21-Y46 AromaticContact CD1-CD1 3.85Å; F21-Y46 HydrophobicContact CD1-CD1 3.85Å; F21-Y46 AromaticContact CD1-CD2 3.97Å; F21-Y46 HydrophobicContact CD1-CD2 3.97Å; F21-Y46 HydrophobicContact CD1-CE1 4.27Å; F21-Y46 HydrophobicContact CD1-CE2 4.37Å; F21-Y46 AromaticContact CD1-CG 3.69Å; F21-Y46 HydrophobicContact CD1-CG 3.69Å; F21-Y46 HydrophobicContact CE1-CD1 4.14Å; F21-Y46 HydrophobicContact CE1-CG 4.37Å; F21-Y46 HydrophobicContact CG-CG 4.45Å
22	S	81.6	Confident	88.8	Confident	19 Å²	19	64.5 Å²	64.5	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.3	-174	64.6	0	0	0	0	112.9	G19 K40 C41	G19-S22 PolarHBondContact N-O 2.94Å; S22-K40 VanDerWaalsContact OG-CE 3.3Å; S22-K40 WeakPolarHBondContact OG-CE 3.25Å; S22-C41 WeakPolarHBondContact CA-O 3.46Å; S22-C41 VanDerWaalsContact CB-O 3.26Å; S22-C41 WeakPolarHBondContact CB-O 3.48Å
23	E	88.6	Confident	88.6	Confident	54 Å²	54	66.9 Å²	66.9	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.7	166.5	62.4	-179.6	-153.8	0	0	109.4	R25 K40 C41	E23-R25 HydrophobicContact CG-CG 4.48Å; E23-R25 WeakPolarHBondContact OE1-CD 3.21Å; E23-K40 CarbonylContact O-C 3.5Å; E23-K40 WeakPolarHBondContact O-CA 3.37Å; E23-C41 HydrophobicContact CG-CB 3.94Å; E23-C41 PolarHBondContact N-O 2.63Å; E23-C41 VanDerWaalsContact N-O 3.13Å; E23-C41 PolarHBondContact O-N 2.66Å
24	V	91.9	Very high	88.4	Confident	29 Å²	29	65.9 Å²	65.9	18%	0.176	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.3	174.9	-173.5	0	0	0	0	107.6	L16 G17 A38 I39 K40 M99	L16-V24 HydrophobicContact CB-CG1 4.29Å; L16-V24 HydrophobicContact CD1-CG1 4.44Å; L16-V24 PolarHBondContact N-O 3.47Å; G17-V24 PolarHBondContact N-O 2.95Å; G17-V24 PolarHBondContact O-N 3.28Å; V24-A38 HydrophobicContact CG1-CB 4.14Å; V24-I39 CarbonylContact C-O 3.58Å; V24-I39 WeakPolarHBondContact CA-O 3.49Å; V24-K40 HydrophobicContact CG2-CB 4.03Å; V24-K40 HydrophobicContact CG2-CD 4.45Å; V24-K40 HydrophobicContact CG2-CG 4.01Å; V24-M99 HydrophobicContact CG1-CE 4.43Å
25	R	95.7	Very high	88.5	Confident	71 Å²	71	62.2 Å²	62.2	27%	0.268	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.1	-178.6	-64.3	-174	69.2	-176	-0.1	111.1	F12 K13 E14 I15 E23 I39	F12-R25 HydrophobicContact CD1-CB 3.84Å; F12-R25 HydrophobicContact CD1-CG 4.43Å; F12-R25 HydrophobicContact CE1-CB 4.41Å; K13-R25 PolarHBondContact O-NE 3.49Å; K13-R25 PolarHBondContact O-NH2 3.15Å; E14-R25 WeakPolarHBondContact O-CA 3.41Å; I15-R25 HydrophobicContact CG1-CG 4.13Å; E23-R25 HydrophobicContact CG-CG 4.48Å; E23-R25 WeakPolarHBondContact OE1-CD 3.21Å; R25-I39 PolarHBondContact N-O 3.41Å; R25-I39 PolarHBondContact O-N 3.23Å
26	L	96.5	Very high	88.6	Confident	22 Å²	22	61.5 Å²	61.5	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.6	164.6	176.6	64.5	0	0	0	107.9	K13 E14 L16 F36 L101	K13-L26 WeakPolarHBondContact CA-O 3.3Å; K13-L26 HydrophobicContact CB-CB 4.19Å; K13-L26 HydrophobicContact CB-CD2 4.13Å; K13-L26 HydrophobicContact CB-CG 4.15Å; K13-L26 HydrophobicContact CD-CD2 4.25Å; K13-L26 PolarHBondContact N-O 2.91Å; E14-L26 HydrophobicContact CG-CB 4.17Å; E14-L26 HydrophobicContact CG-CD2 4.24Å; E14-L26 PolarHBondContact O-N 2.87Å; L16-L26 HydrophobicContact CD1-CB 4.12Å; L16-L26 HydrophobicContact CD2-CB 4.19Å; L16-L26 HydrophobicContact CG-CB 4.14Å; L26-F36 HydrophobicContact CD1-CB 3.99Å; L26-F36 HydrophobicContact CD1-CD1 3.99Å; L26-F36 HydrophobicContact CD1-CG 4.36Å; L26-F36 HydrophobicContact CG-CD1 4.35Å; L26-L101 HydrophobicContact CD1-CD1 3.91Å; L26-L101 HydrophobicContact CD1-CD2 3.55Å; L26-L101 HydrophobicContact CD1-CG 4.37Å
27	A	97.2	Very high	88.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151	170.9	0	0	0	0	0	111.5	Y10 E11 F36 V37 I39	Y10-A27 HydrophobicContact CD1-CB 4.28Å; E11-A27 WeakPolarHBondContact O-CA 3.18Å; A27-F36 CarbonylContact O-C 3.47Å; A27-F36 WeakPolarHBondContact O-CA 3.37Å; A27-V37 HydrophobicContact CB-CG2 4.05Å; A27-V37 PolarHBondContact N-O 3.07Å; A27-V37 WeakPolarHBondContact O-CG2 3.21Å; A27-V37 PolarHBondContact O-N 2.83Å; A27-I39 HydrophobicContact CB-CD1 3.5Å; A27-I39 HydrophobicContact CB-CG1 3.96Å
28	E	96.9	Very high	89.5	Confident	31 Å²	31	56.9 Å²	56.9	15%	0.145	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.6	173.1	-175.1	169.9	-177	0	0	109.6	Y10 E11 K13 Q30 G34 F36	Y10-E28 WeakPolarHBondContact CA-O 3.43Å; E11-E28 PolarHBondContact N-O 3.42Å; E11-E28 PolarHBondContact O-N 3.43Å; K13-E28 VanDerWaalsContact CE-OE2 3.3Å; K13-E28 WeakPolarHBondContact CE-OE2 3.43Å; K13-E28 IonicContact NZ-OE2 2.95Å; K13-E28 PolarHBondContact NZ-OE2 3.31Å; E28-Q30 PolarHBondContact O-N 3.36Å; E28-G34 PolarHBondContact OE1-N 3.31Å; E28-F36 HydrophobicContact CB-CD1 4Å; E28-F36 HydrophobicContact CB-CE1 3.81Å; E28-F36 HydrophobicContact CG-CD1 4.38Å; E28-F36 HydrophobicContact CG-CE1 4.02Å; E28-F36 HydrophobicContact CG-CZ 4.36Å
29	D	95	Very high	90.1	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.053	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	106.6	173.2	-171.8	-21.4	0	0	0	109	H9 Y10 R31 N32 S35	H9-D29 IonicContact CD2-OD1 2.78Å; H9-D29 PolarHBondContact CD2-OD1 3.45Å; Y10-D29 HydrophobicContact CD1-CB 4.17Å; Y10-D29 HydrophobicContact CE1-CB 3.69Å; D29-R31 PolarHBondContact O-N 3.43Å; D29-R31 VanDerWaalsContact O-N 3.09Å; D29-R31 VanDerWaalsContact OD1-CB 3.25Å; D29-R31 WeakPolarHBondContact OD1-CB 3.43Å; D29-R31 WeakPolarHBondContact OD1-CG 3.25Å; D29-R31 IonicContact OD1-CZ 3.47Å; D29-R31 PolarHBondContact OD1-N 3.24Å; D29-R31 IonicContact OD1-NE 2.72Å; D29-R31 PolarHBondContact OD1-NE 3.46Å; D29-R31 IonicContact OD1-NH2 3.62Å; D29-R31 IonicContact OD2-CZ 2.93Å; D29-R31 IonicContact OD2-NE 3.15Å; D29-R31 PolarHBondContact OD2-NE 3.08Å; D29-R31 IonicContact OD2-NH2 2.73Å; D29-R31 PolarHBondContact OD2-NH2 3.2Å; D29-N32 CarbonylContact O-C 3.08Å; D29-N32 PolarHBondContact O-N 2.93Å; D29-N32 VanDerWaalsContact O-O 3.08Å; D29-S35 PolarHBondContact N-O 3.3Å
30	Q	93.2	Very high	91	Very high	103 Å²	103	49.9 Å²	49.9	48%	0.481	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.8	-177.2	-65	-172.4	-26.9	0	0	113.3	H9 E11 E28 N32	H9-Q30 VanDerWaalsContact O-CB 3.24Å; H9-Q30 WeakPolarHBondContact O-CB 3.43Å; H9-Q30 WeakPolarHBondContact O-CG 3.22Å; H9-Q30 PolarHBondContact O-N 2.91Å; E11-Q30 HydrophobicContact CB-CG 4.1Å; E28-Q30 PolarHBondContact O-N 3.36Å; Q30-N32 VanDerWaalsContact C-N 3.32Å
31	R	92.2	Very high	92.1	Very high	110 Å²	110	46.1 Å²	46.1	42%	0.415	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-24.1	174.5	-54	169.9	-61.3	-172.8	1	111.7	H9 D29	H9-R31 HydrophobicContact CB-CG 4.21Å; H9-R31 PolarHBondContact CD2-NE 2.83Å; H9-R31 PolarHBondContact CD2-NH2 3.35Å; H9-R31 PolarHBondContact NE2-NE 2.87Å; H9-R31 PolarHBondContact NE2-NH1 2.86Å; H9-R31 PolarHBondContact NE2-NH2 2.98Å; D29-R31 PolarHBondContact O-N 3.43Å; D29-R31 VanDerWaalsContact O-N 3.09Å; D29-R31 VanDerWaalsContact OD1-CB 3.25Å; D29-R31 WeakPolarHBondContact OD1-CB 3.43Å; D29-R31 WeakPolarHBondContact OD1-CG 3.25Å; D29-R31 IonicContact OD1-CZ 3.47Å; D29-R31 PolarHBondContact OD1-N 3.24Å; D29-R31 IonicContact OD1-NE 2.72Å; D29-R31 PolarHBondContact OD1-NE 3.46Å; D29-R31 IonicContact OD1-NH2 3.62Å; D29-R31 IonicContact OD2-CZ 2.93Å; D29-R31 IonicContact OD2-NE 3.15Å; D29-R31 PolarHBondContact OD2-NE 3.08Å; D29-R31 IonicContact OD2-NH2 2.73Å; D29-R31 PolarHBondContact OD2-NH2 3.2Å
32	N	91.9	Very high	92.6	Very high	96 Å²	96	41.6 Å²	41.6	51%	0.513	22%	0.224	S	C	.	.	S	Bend	trans	-133.4	75.3	178.8	-62.2	-54.3	0	0	0	109.4	D29 Q30 G34 S35	D29-N32 CarbonylContact O-C 3.08Å; D29-N32 PolarHBondContact O-N 2.93Å; D29-N32 VanDerWaalsContact O-O 3.08Å; Q30-N32 VanDerWaalsContact C-N 3.32Å; N32-G34 PolarHBondContact O-N 3.41Å; N32-S35 WeakPolarHBondContact O-CB 3.41Å; N32-S35 PolarHBondContact O-N 2.91Å
33	P	90.5	Very high	92.6	Very high	109 Å²	109	46 Å²	46	71%	0.708	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	136.7	-178	-27.8	35.5	0	0	0	112.6	S35	P33-S35 VanDerWaalsContact C-N 3.33Å
34	G	91.7	Very high	92	Very high	50 Å²	50	45.2 Å²	45.2	52%	0.515	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-7	-171.2	0	0	0	0	0	115.2	E28 N32 F36	E28-G34 PolarHBondContact OE1-N 3.31Å; N32-G34 PolarHBondContact O-N 3.41Å; G34-F36 VanDerWaalsContact O-CD2 3.26Å; G34-F36 WeakPolarHBondContact O-CD2 3.26Å; G34-F36 WeakPolarHBondContact O-CE2 3.45Å
35	S	94.8	Very high	91	Very high	51 Å²	51	49.4 Å²	49.4	36%	0.357	25%	0.25	S	C	.	.			trans	-87.6	109.2	173	-176	0	0	0	0	110.7	D29 N32 P33	D29-S35 PolarHBondContact N-O 3.3Å; N32-S35 WeakPolarHBondContact O-CB 3.41Å; N32-S35 PolarHBondContact O-N 2.91Å; P33-S35 VanDerWaalsContact C-N 3.33Å
36	F	96.7	Very high	89.3	Confident	82 Å²	82	51.1 Å²	51.1	36%	0.36	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	143.7	-179.9	-64.1	-81.9	0	0	0	112.7	K13 L26 A27 E28 G34 L101	K13-F36 HydrophobicContact CD-CE1 4.15Å; L26-F36 HydrophobicContact CD1-CB 3.99Å; L26-F36 HydrophobicContact CD1-CD1 3.99Å; L26-F36 HydrophobicContact CD1-CG 4.36Å; L26-F36 HydrophobicContact CG-CD1 4.35Å; A27-F36 CarbonylContact O-C 3.47Å; A27-F36 WeakPolarHBondContact O-CA 3.37Å; E28-F36 HydrophobicContact CB-CD1 4Å; E28-F36 HydrophobicContact CB-CE1 3.81Å; E28-F36 HydrophobicContact CG-CD1 4.38Å; E28-F36 HydrophobicContact CG-CE1 4.02Å; E28-F36 HydrophobicContact CG-CZ 4.36Å; G34-F36 VanDerWaalsContact O-CD2 3.26Å; G34-F36 WeakPolarHBondContact O-CD2 3.26Å; G34-F36 WeakPolarHBondContact O-CE2 3.45Å; F36-L101 HydrophobicContact CB-CD2 3.74Å
37	V	96.4	Very high	87.5	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160.5	179.6	-66	0	0	0	0	110.6	Y10 A27 I39 F86 V98 M99	Y10-V37 HydrophobicContact CD1-CG2 3.76Å; Y10-V37 HydrophobicContact CE1-CG1 4.5Å; Y10-V37 HydrophobicContact CE1-CG2 3.55Å; A27-V37 HydrophobicContact CB-CG2 4.05Å; A27-V37 PolarHBondContact N-O 3.07Å; A27-V37 WeakPolarHBondContact O-CG2 3.21Å; A27-V37 PolarHBondContact O-N 2.83Å; V37-I39 HydrophobicContact CG2-CD1 4.17Å; V37-I39 HydrophobicContact CG2-CG1 3.93Å; V37-F86 HydrophobicContact CG1-CD2 3.96Å; V37-F86 HydrophobicContact CG1-CE2 3.98Å; V37-V98 HydrophobicContact CB-CG1 4.07Å; V37-V98 HydrophobicContact CG1-CG1 4.1Å; V37-V98 HydrophobicContact CG2-CG1 4.02Å; V37-M99 WeakPolarHBondContact CB-O 3.48Å
38	A	96	Very high	85.5	Confident	8 Å²	8	55.5 Å²	55.5	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.4	165.6	0	0	0	0	0	109	L16 V24 M99 L101	L16-A38 HydrophobicContact CD1-CB 4.07Å; V24-A38 HydrophobicContact CG1-CB 4.14Å; A38-M99 HydrophobicContact CB-CE 4.44Å; A38-M99 PolarHBondContact N-O 3.27Å; A38-M99 WeakPolarHBondContact O-CA 3.5Å; A38-M99 WeakPolarHBondContact O-CB 2.92Å; A38-M99 PolarHBondContact O-N 3.4Å; A38-L101 HydrophobicContact CB-CD1 4.18Å
39	I	94.9	Very high	83.5	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.1	178	-58.2	-176.1	0	0	0	109.2	I7 Y10 F12 V24 R25 A27 V37 Y96 L97 V98	I7-I39 HydrophobicContact CD1-CD1 4.05Å; I7-I39 HydrophobicContact CD1-CG2 4.42Å; Y10-I39 HydrophobicContact CD1-CD1 3.9Å; Y10-I39 HydrophobicContact CD2-CD1 3.92Å; Y10-I39 HydrophobicContact CG-CD1 3.57Å; F12-I39 HydrophobicContact CE1-CB 4.04Å; F12-I39 HydrophobicContact CE1-CD1 4.18Å; F12-I39 HydrophobicContact CE1-CG2 3.95Å; F12-I39 HydrophobicContact CZ-CD1 4.25Å; F12-I39 HydrophobicContact CZ-CG2 4.21Å; V24-I39 CarbonylContact C-O 3.58Å; V24-I39 WeakPolarHBondContact CA-O 3.49Å; R25-I39 PolarHBondContact N-O 3.41Å; R25-I39 PolarHBondContact O-N 3.23Å; A27-I39 HydrophobicContact CB-CD1 3.5Å; A27-I39 HydrophobicContact CB-CG1 3.96Å; V37-I39 HydrophobicContact CG2-CD1 4.17Å; V37-I39 HydrophobicContact CG2-CG1 3.93Å; I39-Y96 HydrophobicContact CG2-CD1 3.97Å; I39-Y96 HydrophobicContact CG2-CG 4.47Å; I39-L97 WeakPolarHBondContact CA-O 3.29Å; I39-V98 HydrophobicContact CD1-CG2 4.38Å; I39-V98 HydrophobicContact CG1-CG2 4.37Å
40	K	90.9	Very high	81.3	Confident	12 Å²	12	66.5 Å²	66.5	5%	0.052	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114.1	170.9	-176.7	175.8	-178.8	-179.3	0	109.2	S22 E23 V24 I42 Y96 L97 M99 D166 L169 E173	S22-K40 VanDerWaalsContact OG-CE 3.3Å; S22-K40 WeakPolarHBondContact OG-CE 3.25Å; E23-K40 CarbonylContact O-C 3.5Å; E23-K40 WeakPolarHBondContact O-CA 3.37Å; V24-K40 HydrophobicContact CG2-CB 4.03Å; V24-K40 HydrophobicContact CG2-CD 4.45Å; V24-K40 HydrophobicContact CG2-CG 4.01Å; K40-I42 HydrophobicContact CD-CD1 4.5Å; K40-I42 HydrophobicContact CD-CG1 4.5Å; K40-I42 HydrophobicContact CG-CG1 4.12Å; K40-Y96 WeakPolarHBondContact O-CA 3.4Å; K40-L97 HydrophobicContact CB-CB 4.25Å; K40-L97 PolarHBondContact N-O 2.87Å; K40-L97 PolarHBondContact O-N 3.13Å; K40-M99 HydrophobicContact CB-CE 3.63Å; K40-D166 IonicContact NZ-OD1 3.11Å; K40-D166 PolarHBondContact NZ-OD1 3.3Å; K40-L169 HydrophobicContact CD-CD1 3.99Å; K40-E173 IonicContact NZ-OE1 3.01Å; K40-E173 PolarHBondContact NZ-OE1 2.91Å; K40-E173 VanDerWaalsContact NZ-OE1 3.15Å
41	C	89.9	Confident	79.4	Confident	8 Å²	8	68.2 Å²	68.2	5%	0.054	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.8	177.3	-54.3	0	0	0	0	109.1	S22 E23 Y95 Y96	S22-C41 WeakPolarHBondContact CA-O 3.46Å; S22-C41 VanDerWaalsContact CB-O 3.26Å; S22-C41 WeakPolarHBondContact CB-O 3.48Å; E23-C41 HydrophobicContact CG-CB 3.94Å; E23-C41 PolarHBondContact N-O 2.63Å; E23-C41 VanDerWaalsContact N-O 3.13Å; E23-C41 PolarHBondContact O-N 2.66Å; C41-Y95 CarbonylContact C-O 3.59Å; C41-Y95 WeakPolarHBondContact CA-O 3.35Å; C41-Y96 HydrophobicContact CB-CD1 4.28Å; C41-Y96 HydrophobicContact CB-CE1 4.28Å; C41-Y96 VanDerWaalsContact SG-CD1 3.59Å
42	I	82.9	Confident	77.7	Confident	3 Å²	3	71 Å²	71	2%	0.015	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.6	179.2	-52.8	175.3	0	0	0	108.3	K40 K44 L47 C94 Y95 L97	K40-I42 HydrophobicContact CD-CD1 4.5Å; K40-I42 HydrophobicContact CD-CG1 4.5Å; K40-I42 HydrophobicContact CG-CG1 4.12Å; I42-K44 PolarHBondContact O-N 3.46Å; I42-L47 HydrophobicContact CG2-CD1 4.35Å; I42-C94 CarbonylContact O-C 3.58Å; I42-C94 VanDerWaalsContact O-CA 3.26Å; I42-C94 WeakPolarHBondContact O-CA 3.42Å; I42-Y95 PolarHBondContact N-O 3.37Å; I42-Y95 PolarHBondContact O-N 2.96Å; I42-L97 HydrophobicContact CD1-CD1 3.79Å; I42-L97 HydrophobicContact CD1-CD2 4.2Å; I42-L97 HydrophobicContact CG1-CD1 4.37Å
43	R	79.9	Confident	76.3	Confident	112 Å²	112	68.7 Å²	68.7	42%	0.423	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.1	-175.3	-64.5	178.8	177	166.5	-1.8	111.5	F21 K45 Y46	F21-R43 PolarHBondContact O-N 3.44Å; R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 HydrophobicContact CB-CG 4.21Å; R43-K45 PolarHBondContact O-N 3.28Å; R43-Y46 HydrophobicContact CB-CD2 3.83Å; R43-Y46 HydrophobicContact CB-CE2 3.96Å; R43-Y46 PolarHBondContact O-N 3.37Å
44	K	77.4	Confident	75.2	Confident	37 Å²	37	70.7 Å²	70.7	16%	0.161	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-64.4	-28.6	-178.3	-67.4	-175.1	-176.2	-178.6	0	114.3	I42 Y46 L47 S48 E90 D91 E93 Y95	I42-K44 PolarHBondContact O-N 3.46Å; K44-Y46 PolarHBondContact O-N 2.82Å; K44-L47 WeakPolarHBondContact O-CA 3.45Å; K44-L47 WeakPolarHBondContact O-CB 3.38Å; K44-L47 PolarHBondContact O-N 3.18Å; K44-S48 PolarHBondContact O-N 2.87Å; K44-E90 VanDerWaalsContact CE-CG 3.42Å; K44-E90 WeakPolarHBondContact CE-OE1 3.45Å; K44-E90 VanDerWaalsContact NZ-CD 3.3Å; K44-E90 IonicContact NZ-OE1 3.94Å; K44-E90 PolarHBondContact NZ-OE1 3.35Å; K44-D91 WeakPolarHBondContact CE-O 3.25Å; K44-D91 PolarHBondContact NZ-O 3.06Å; K44-E93 WeakPolarHBondContact CB-O 3.41Å; K44-E93 PolarHBondContact N-O 3.36Å; K44-Y95 HydrophobicContact CD-CE2 4.31Å; K44-Y95 HydrophobicContact CG-CD2 3.93Å; K44-Y95 HydrophobicContact CG-CE2 3.78Å
45	K	70	Confident	74	Confident	118 Å²	118	72 Å²	72	51%	0.513	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56	-20.9	179.5	70.4	-174.4	-173.7	178.3	0	114.2	R43	R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 HydrophobicContact CB-CG 4.21Å; R43-K45 PolarHBondContact O-N 3.28Å
46	Y	60.5	Low	72.5	Confident	107 Å²	107	70.4 Å²	70.4	42%	0.42	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-91.4	-11.8	175.7	-59	-70.2	0	0	0	113.3	F21 R43 K44	F21-Y46 HydrophobicContact CB-CD2 4.22Å; F21-Y46 AromaticContact CD1-CD1 3.85Å; F21-Y46 HydrophobicContact CD1-CD1 3.85Å; F21-Y46 AromaticContact CD1-CD2 3.97Å; F21-Y46 HydrophobicContact CD1-CD2 3.97Å; F21-Y46 HydrophobicContact CD1-CE1 4.27Å; F21-Y46 HydrophobicContact CD1-CE2 4.37Å; F21-Y46 AromaticContact CD1-CG 3.69Å; F21-Y46 HydrophobicContact CD1-CG 3.69Å; F21-Y46 HydrophobicContact CE1-CD1 4.14Å; F21-Y46 HydrophobicContact CE1-CG 4.37Å; F21-Y46 HydrophobicContact CG-CG 4.45Å; R43-Y46 HydrophobicContact CB-CD2 3.83Å; R43-Y46 HydrophobicContact CB-CE2 3.96Å; R43-Y46 PolarHBondContact O-N 3.37Å; K44-Y46 PolarHBondContact O-N 2.82Å
47	L	59.2	Low	71.1	Confident	35 Å²	35	71.2 Å²	71.2	18%	0.183	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-25.2	-178.2	-61.3	174.4	0	0	0	112.7	I42 K44 Y95 I172	I42-L47 HydrophobicContact CG2-CD1 4.35Å; K44-L47 WeakPolarHBondContact O-CA 3.45Å; K44-L47 WeakPolarHBondContact O-CB 3.38Å; K44-L47 PolarHBondContact O-N 3.18Å; L47-Y95 HydrophobicContact CD1-CD2 3.91Å; L47-Y95 HydrophobicContact CD1-CE2 3.75Å; L47-I172 VanDerWaalsContact CD2-O 3.26Å; L47-I172 WeakPolarHBondContact CD2-O 3.43Å
48	S	55.2	Low	69.7	Low	79 Å²	79	77.5 Å²	77.5	55%	0.552	39%	0.393	S	S	*	.			trans	-102.7	96.2	-178.2	61.5	0	0	0	0	111.9	K44 S50	K44-S48 PolarHBondContact O-N 2.87Å; S48-S50 PolarHBondContact O-N 3.1Å
49	K	53.9	Low	68.3	Low	168 Å²	168	81.8 Å²	81.8	73%	0.73	41%	0.412	S	S	*	.			trans	-70.1	115.4	155.9	-80	174.3	177.9	161	0	107.5	Q51 E176	K49-Q51 PolarHBondContact O-N 2.68Å; K49-E176 IonicContact NZ-OE1 3.66Å; K49-E176 PolarHBondContact NZ-OE1 3.47Å
50	S	49.5	Very low	66.9	Low	103 Å²	103	84.2 Å²	84.2	72%	0.72	43%	0.432	S	S	*	.			trans	-54.2	116.8	178.5	-171	0	0	0	0	111.1	S48	S48-S50 PolarHBondContact O-N 3.1Å
51	Q	53.2	Low	65.8	Low	139 Å²	139	89.7 Å²	89.7	65%	0.65	46%	0.457	S	S	*	.			trans	-138.9	106.9	167.6	-74.4	-82.2	-16.5	0	0	106.1	K49 S53 A56	K49-Q51 PolarHBondContact O-N 2.68Å; Q51-S53 PolarHBondContact O-N 2.8Å; Q51-A56 HydrophobicContact CB-CB 3.44Å; Q51-A56 VanDerWaalsContact CB-CB 3.44Å; Q51-A56 WeakPolarHBondContact O-CB 3.28Å
52	N	55.6	Low	64.7	Low	168 Å²	168	92.9 Å²	92.9	90%	0.898	48%	0.48	S	S	*	.			trans	-81	35.2	-179	-78.7	-21.8	0	0	0	112.5
53	S	63.6	Low	63.8	Low	48 Å²	48	99 Å²	99	34%	0.336	50%	0.503	S	S	.	.	S	Bend	trans	-102	148.3	178.4	80.9	0	0	0	0	111.2	Q51 C55 A56 I57	Q51-S53 PolarHBondContact O-N 2.8Å; S53-C55 PolarHBondContact O-N 3Å; S53-A56 WeakPolarHBondContact O-CB 3.47Å; S53-A56 PolarHBondContact O-N 2.79Å; S53-A56 WeakPolarHBondContact OG-CB 3.29Å; S53-A56 PolarHBondContact OG-N 3.49Å; S53-A56 VanDerWaalsContact OG-N 3.09Å; S53-I57 PolarHBondContact O-N 2.82Å; S53-I57 VanDerWaalsContact O-N 3.16Å
54	E	67.6	Low	63.3	Low	151 Å²	151	97.8 Å²	97.8	71%	0.706	50%	0.501	S	S	*	.	H	α-helix	trans	-58.7	-28.2	175.4	-164.4	175.8	175	0	0	112.1	K58	E54-K58 PolarHBondContact O-N 3.13Å
55	C	65.9	Low	62.9	Low	77 Å²	77	102 Å²	102	52%	0.52	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-43.2	171.7	-162.4	0	0	0	0	111.7	S53 I57 K58 E59	S53-C55 PolarHBondContact O-N 3Å; C55-I57 VanDerWaalsContact C-N 3.29Å; C55-I57 PolarHBondContact O-N 3.39Å; C55-K58 PolarHBondContact O-N 3.06Å; C55-E59 WeakPolarHBondContact O-CG 3.43Å; C55-E59 PolarHBondContact O-N 3.3Å
56	A	63.7	Low	62.7	Low	18 Å²	18	100 Å²	100	15%	0.149	52%	0.522	C	S	.	.	H	α-helix	trans	-65.8	-30.5	178.2	0	0	0	0	0	113	Q51 S53 A60	Q51-A56 HydrophobicContact CB-CB 3.44Å; Q51-A56 VanDerWaalsContact CB-CB 3.44Å; Q51-A56 WeakPolarHBondContact O-CB 3.28Å; S53-A56 WeakPolarHBondContact O-CB 3.47Å; S53-A56 PolarHBondContact O-N 2.79Å; S53-A56 WeakPolarHBondContact OG-CB 3.29Å; S53-A56 PolarHBondContact OG-N 3.49Å; S53-A56 VanDerWaalsContact OG-N 3.09Å; A56-A60 WeakPolarHBondContact O-CB 3.43Å; A56-A60 PolarHBondContact O-N 3.4Å
57	I	66.6	Low	63.1	Low	99 Å²	99	96 Å²	96	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-49.5	173.6	-62.3	173.3	0	0	0	110.3	S53 C55 E59 A60 E61	S53-I57 PolarHBondContact O-N 2.82Å; S53-I57 VanDerWaalsContact O-N 3.16Å; C55-I57 VanDerWaalsContact C-N 3.29Å; C55-I57 PolarHBondContact O-N 3.39Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 3.28Å; I57-A60 PolarHBondContact O-N 3.21Å; I57-A60 VanDerWaalsContact O-N 3.17Å; I57-E61 WeakPolarHBondContact O-CG 3.33Å; I57-E61 PolarHBondContact O-N 3.27Å
58	K	67.9	Low	63.8	Low	137 Å²	137	95.9 Å²	95.9	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-39.7	177.7	-70.7	-176.9	-178.6	174.7	0	112.3	E54 C55 E61 S62	E54-K58 PolarHBondContact O-N 3.13Å; C55-K58 PolarHBondContact O-N 3.06Å; K58-E61 PolarHBondContact O-N 3.18Å; K58-S62 WeakPolarHBondContact O-CB 3.47Å; K58-S62 PolarHBondContact O-N 3.08Å
59	E	66.2	Low	64.6	Low	98 Å²	98	96.9 Å²	96.9	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-43.1	173.7	-75.2	176.6	-160.7	0	0	111.6	C55 I57 S62 R63	C55-E59 WeakPolarHBondContact O-CG 3.43Å; C55-E59 PolarHBondContact O-N 3.3Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 3.28Å; E59-S62 PolarHBondContact O-N 3.02Å; E59-R63 VanDerWaalsContact O-CB 3.26Å; E59-R63 WeakPolarHBondContact O-CB 3.28Å; E59-R63 PolarHBondContact O-N 3.43Å; E59-R63 IonicContact OE2-NH2 3.64Å
60	A	64.9	Low	65.3	Low	51 Å²	51	90.1 Å²	90.1	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-64.2	-40.9	176.8	0	0	0	0	0	112.2	A56 I57 R63 K64	A56-A60 WeakPolarHBondContact O-CB 3.43Å; A56-A60 PolarHBondContact O-N 3.4Å; I57-A60 PolarHBondContact O-N 3.21Å; I57-A60 VanDerWaalsContact O-N 3.17Å; A60-R63 PolarHBondContact O-N 3.33Å; A60-K64 WeakPolarHBondContact O-CB 3.29Å; A60-K64 PolarHBondContact O-N 3.3Å
61	E	68.4	Low	66.7	Low	127 Å²	127	85.5 Å²	85.5	59%	0.593	44%	0.444	S	S	*	.	H	α-helix	trans	-63.8	-46.8	174.6	-74.1	-179.9	159.9	0	0	111.8	I57 K58 R63 K64 E65	I57-E61 WeakPolarHBondContact O-CG 3.33Å; I57-E61 PolarHBondContact O-N 3.27Å; K58-E61 PolarHBondContact O-N 3.18Å; E61-R63 VanDerWaalsContact C-N 3.32Å; E61-R63 PolarHBondContact O-N 2.88Å; E61-K64 CarbonylContact O-C 3.12Å; E61-K64 WeakPolarHBondContact O-CB 3.43Å; E61-K64 PolarHBondContact O-N 3.32Å; E61-K64 VanDerWaalsContact O-N 3.15Å; E61-E65 PolarHBondContact O-N 3.12Å
62	S	65.8	Low	68	Low	75 Å²	75	81.4 Å²	81.4	52%	0.524	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-40.6	175.6	-178.3	0	0	0	0	111.8	K58 E59 K64 E65 S66	K58-S62 WeakPolarHBondContact O-CB 3.47Å; K58-S62 PolarHBondContact O-N 3.08Å; E59-S62 PolarHBondContact O-N 3.02Å; S62-K64 VanDerWaalsContact C-N 3.34Å; S62-K64 PolarHBondContact O-N 2.88Å; S62-E65 PolarHBondContact O-N 3.37Å; S62-S66 PolarHBondContact O-N 2.74Å
63	R	65.7	Low	69.2	Low	132 Å²	132	76.2 Å²	76.2	50%	0.498	40%	0.399	S	S	.	.	H	α-helix	trans	-63.9	-40.1	174.8	-145.1	175	-66.5	148	0.9	110.9	E59 A60 E61 L67	E59-R63 VanDerWaalsContact O-CB 3.26Å; E59-R63 WeakPolarHBondContact O-CB 3.28Å; E59-R63 PolarHBondContact O-N 3.43Å; E59-R63 IonicContact OE2-NH2 3.64Å; A60-R63 PolarHBondContact O-N 3.33Å; E61-R63 VanDerWaalsContact C-N 3.32Å; E61-R63 PolarHBondContact O-N 2.88Å; R63-L67 WeakPolarHBondContact O-CB 2.87Å; R63-L67 PolarHBondContact O-N 3.05Å
64	K	67.6	Low	70.1	Confident	86 Å²	86	74 Å²	74	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-65	-39	174.5	-175.4	167.1	-176.3	149.8	0	112.2	A60 E61 S62 N68 E90	A60-K64 WeakPolarHBondContact O-CB 3.29Å; A60-K64 PolarHBondContact O-N 3.3Å; E61-K64 CarbonylContact O-C 3.12Å; E61-K64 WeakPolarHBondContact O-CB 3.43Å; E61-K64 PolarHBondContact O-N 3.32Å; E61-K64 VanDerWaalsContact O-N 3.15Å; S62-K64 VanDerWaalsContact C-N 3.34Å; S62-K64 PolarHBondContact O-N 2.88Å; K64-N68 WeakPolarHBondContact O-CB 3.46Å; K64-N68 PolarHBondContact O-N 3.48Å; K64-N68 PolarHBondContact O-ND2 2.74Å; K64-E90 IonicContact NZ-OE1 2.83Å; K64-E90 PolarHBondContact NZ-OE1 3.44Å; K64-E90 VanDerWaalsContact NZ-OE1 3.07Å; K64-E90 IonicContact NZ-OE2 3.04Å; K64-E90 PolarHBondContact NZ-OE2 3.06Å
65	E	70.2	Confident	71	Confident	127 Å²	127	69.8 Å²	69.8	59%	0.593	36%	0.361	S	S	*	.	H	α-helix	trans	-67.4	-46.1	175.8	-171.5	174.8	-167.6	0	0	111.8	E61 S62 L67 N68 N69	E61-E65 PolarHBondContact O-N 3.12Å; S62-E65 PolarHBondContact O-N 3.37Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.95Å; E65-N68 WeakPolarHBondContact O-CB 3.02Å; E65-N68 PolarHBondContact O-N 2.71Å; E65-N69 PolarHBondContact O-N 3.48Å
66	S	66.5	Low	72.1	Confident	75 Å²	75	74.1 Å²	74.1	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-43.5	174.4	-174.4	0	0	0	0	111.7	S62 N69 E70	S62-S66 PolarHBondContact O-N 2.74Å; S66-N69 PolarHBondContact O-N 3.31Å; S66-E70 PolarHBondContact O-N 3.4Å; S66-E70 VanDerWaalsContact O-N 3.08Å
67	L	68.6	Low	73.4	Confident	23 Å²	23	73.4 Å²	73.4	12%	0.12	36%	0.361	C	S	.	.	H	α-helix	trans	-62.3	-42.5	176.4	177.9	60.2	0	0	0	111.7	R63 E65 E70 I71 Y95 I172	R63-L67 WeakPolarHBondContact O-CB 2.87Å; R63-L67 PolarHBondContact O-N 3.05Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.95Å; L67-E70 PolarHBondContact O-N 2.99Å; L67-I71 HydrophobicContact CD1-CD1 4.1Å; L67-I71 HydrophobicContact CD1-CG1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.86Å; L67-I71 WeakPolarHBondContact O-CB 3.49Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.28Å; L67-I71 PolarHBondContact O-N 2.98Å; L67-Y95 HydrophobicContact CD2-CE1 4.42Å; L67-I172 HydrophobicContact CD1-CB 3.88Å; L67-I172 HydrophobicContact CD1-CD1 3.79Å; L67-I172 HydrophobicContact CD1-CG1 3.41Å; L67-I172 VanDerWaalsContact CD1-CG1 3.41Å; L67-I172 HydrophobicContact CD1-CG2 3.73Å; L67-I172 HydrophobicContact CD2-CG2 4.38Å
68	N	73.2	Confident	74.6	Confident	33 Å²	33	76.8 Å²	76.8	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-43.7	176.1	-84.4	-54.8	0	0	0	112.2	K64 E65 E70 I71 E72	K64-N68 WeakPolarHBondContact O-CB 3.46Å; K64-N68 PolarHBondContact O-N 3.48Å; K64-N68 PolarHBondContact O-ND2 2.74Å; E65-N68 WeakPolarHBondContact O-CB 3.02Å; E65-N68 PolarHBondContact O-N 2.71Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 PolarHBondContact O-N 3.5Å; N68-I71 PolarHBondContact O-N 3.46Å; N68-E72 WeakPolarHBondContact O-CG 3.03Å; N68-E72 PolarHBondContact O-N 3.39Å
69	N	71.3	Confident	76	Confident	100 Å²	100	72.1 Å²	72.1	54%	0.535	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-41	177.2	-76.6	-25.4	0	0	0	111.5	E65 S66 E72 V73	E65-N69 PolarHBondContact O-N 3.48Å; S66-N69 PolarHBondContact O-N 3.31Å; N69-E72 PolarHBondContact O-N 3.02Å; N69-V73 WeakPolarHBondContact O-CG2 3.34Å; N69-V73 PolarHBondContact O-N 3.39Å; N69-V73 VanDerWaalsContact O-N 3.12Å
70	E	69.6	Low	77.5	Confident	26 Å²	26	71.2 Å²	71.2	12%	0.121	35%	0.35	C	S	.	.	H	α-helix	trans	-66.6	-45	175.9	-178.7	155.6	-137.9	0	0	112.4	S66 L67 N68 E72 V73 L74 K171	S66-E70 PolarHBondContact O-N 3.4Å; S66-E70 VanDerWaalsContact O-N 3.08Å; L67-E70 PolarHBondContact O-N 2.99Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 PolarHBondContact O-N 3.5Å; E70-E72 VanDerWaalsContact C-N 3.25Å; E70-E72 PolarHBondContact O-N 2.85Å; E70-V73 WeakPolarHBondContact O-CB 3.32Å; E70-V73 PolarHBondContact O-N 3.06Å; E70-L74 HydrophobicContact CG-CD1 4.1Å; E70-L74 HydrophobicContact CG-CG 4.35Å; E70-L74 VanDerWaalsContact O-CG 3.29Å; E70-L74 WeakPolarHBondContact O-CG 3.27Å; E70-L74 PolarHBondContact O-N 3.19Å; E70-K171 WeakPolarHBondContact OE1-CB 3.41Å; E70-K171 WeakPolarHBondContact OE1-CD 3.47Å; E70-K171 VanDerWaalsContact OE1-CE 3.29Å; E70-K171 WeakPolarHBondContact OE1-CE 3.37Å; E70-K171 WeakPolarHBondContact OE1-CG 3.49Å; E70-K171 IonicContact OE1-NZ 2.83Å; E70-K171 PolarHBondContact OE1-NZ 3.32Å; E70-K171 WeakPolarHBondContact OE2-CB 3.39Å; E70-K171 WeakPolarHBondContact OE2-CD 3.47Å; E70-K171 IonicContact OE2-NZ 3.07Å
71	I	77.8	Confident	79.1	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-55.5	-42.7	173.6	-72.5	163.6	0	0	0	110.9	L67 N68 V73 L74 R75 V88 I172	L67-I71 HydrophobicContact CD1-CD1 4.1Å; L67-I71 HydrophobicContact CD1-CG1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.86Å; L67-I71 WeakPolarHBondContact O-CB 3.49Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.28Å; L67-I71 PolarHBondContact O-N 2.98Å; N68-I71 PolarHBondContact O-N 3.46Å; I71-V73 VanDerWaalsContact C-N 3.33Å; I71-V73 PolarHBondContact O-N 2.9Å; I71-L74 PolarHBondContact O-N 3.28Å; I71-R75 HydrophobicContact CG2-CG 4.19Å; I71-R75 WeakPolarHBondContact O-CB 3.46Å; I71-R75 VanDerWaalsContact O-CG 3.26Å; I71-R75 WeakPolarHBondContact O-CG 3.32Å; I71-R75 PolarHBondContact O-N 3.04Å; I71-V88 HydrophobicContact CD1-CB 4.47Å; I71-V88 HydrophobicContact CD1-CG1 3.98Å; I71-V88 HydrophobicContact CG1-CG2 4.32Å; I71-V88 HydrophobicContact CG2-CB 3.9Å; I71-V88 HydrophobicContact CG2-CG2 3.49Å; I71-V88 VanDerWaalsContact CG2-CG2 3.49Å; I71-I172 HydrophobicContact CG1-CD1 4.36Å
72	E	81.1	Confident	80.4	Confident	53 Å²	53	63.4 Å²	63.4	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-38.3	177.1	-71.7	-62.7	144.1	0	0	112.5	M1 N68 N69 E70 R76	M1-E72 PolarHBondContact N-OE1 3.01Å; N68-E72 WeakPolarHBondContact O-CG 3.03Å; N68-E72 PolarHBondContact O-N 3.39Å; N69-E72 PolarHBondContact O-N 3.02Å; E70-E72 VanDerWaalsContact C-N 3.25Å; E70-E72 PolarHBondContact O-N 2.85Å; E72-R76 WeakPolarHBondContact O-CD 3.36Å; E72-R76 VanDerWaalsContact O-CG 3.24Å; E72-R76 WeakPolarHBondContact O-CG 3.42Å; E72-R76 PolarHBondContact O-N 3.02Å
73	V	81.4	Confident	81.8	Confident	58 Å²	58	60.2 Å²	60.2	35%	0.352	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-48.5	173.1	175.5	0	0	0	0	110.1	N69 E70 I71 R75 R76 L77 V141	N69-V73 WeakPolarHBondContact O-CG2 3.34Å; N69-V73 PolarHBondContact O-N 3.39Å; N69-V73 VanDerWaalsContact O-N 3.12Å; E70-V73 WeakPolarHBondContact O-CB 3.32Å; E70-V73 PolarHBondContact O-N 3.06Å; I71-V73 VanDerWaalsContact C-N 3.33Å; I71-V73 PolarHBondContact O-N 2.9Å; V73-R75 VanDerWaalsContact C-N 3.35Å; V73-R75 PolarHBondContact O-N 2.82Å; V73-R76 PolarHBondContact O-N 3.24Å; V73-R76 VanDerWaalsContact O-N 3.09Å; V73-L77 PolarHBondContact O-N 3.09Å; V73-V141 HydrophobicContact CG1-CG2 3.4Å
74	L	82.6	Confident	83.1	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-40.3	-179.2	-63.7	173.5	0	0	0	112.2	E70 I71 R76 L77 L85 V141 F167 L169	E70-L74 HydrophobicContact CG-CD1 4.1Å; E70-L74 HydrophobicContact CG-CG 4.35Å; E70-L74 VanDerWaalsContact O-CG 3.29Å; E70-L74 WeakPolarHBondContact O-CG 3.27Å; E70-L74 PolarHBondContact O-N 3.19Å; I71-L74 PolarHBondContact O-N 3.28Å; L74-R76 PolarHBondContact O-N 3.21Å; L74-L77 HydrophobicContact CD2-CD1 4.31Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.36Å; L74-L85 HydrophobicContact CB-CD2 3.89Å; L74-V141 HydrophobicContact CD2-CG1 4.1Å; L74-F167 HydrophobicContact CB-CE2 4.17Å; L74-F167 HydrophobicContact CD2-CD2 3.53Å; L74-F167 HydrophobicContact CD2-CE2 3.56Å; L74-F167 HydrophobicContact CG-CE2 4.41Å; L74-L169 HydrophobicContact CD1-CD2 4.28Å
75	R	86.7	Confident	84.3	Confident	63 Å²	63	54.7 Å²	54.7	24%	0.238	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-24.6	176.4	-74.5	179.5	73.8	145.5	18	113.8	I71 V73 L85 F86 D87	I71-R75 HydrophobicContact CG2-CG 4.19Å; I71-R75 WeakPolarHBondContact O-CB 3.46Å; I71-R75 VanDerWaalsContact O-CG 3.26Å; I71-R75 WeakPolarHBondContact O-CG 3.32Å; I71-R75 PolarHBondContact O-N 3.04Å; V73-R75 VanDerWaalsContact C-N 3.35Å; V73-R75 PolarHBondContact O-N 2.82Å; R75-L85 HydrophobicContact CG-CD2 3.92Å; R75-L85 HydrophobicContact CG-CG 4.18Å; R75-F86 PolarHBondContact NH2-O 2.92Å; R75-D87 IonicContact CZ-OD1 3.92Å; R75-D87 IonicContact NH1-OD1 2.89Å; R75-D87 PolarHBondContact NH1-OD1 3.22Å; R75-D87 IonicContact NH2-OD1 2.78Å; R75-D87 PolarHBondContact NH2-OD1 3.16Å
76	R	87.9	Confident	85.2	Confident	167 Å²	167	52 Å²	52	63%	0.63	25%	0.246	S	C	*	.	H	α-helix	trans	-84.8	-17.2	180	-71.1	170.4	-168.2	-172.7	4.7	112.8	E72 V73 L74 R78	E72-R76 WeakPolarHBondContact O-CD 3.36Å; E72-R76 VanDerWaalsContact O-CG 3.24Å; E72-R76 WeakPolarHBondContact O-CG 3.42Å; E72-R76 PolarHBondContact O-N 3.02Å; V73-R76 PolarHBondContact O-N 3.24Å; V73-R76 VanDerWaalsContact O-N 3.09Å; L74-R76 PolarHBondContact O-N 3.21Å; R76-R78 PolarHBondContact O-N 3.12Å
77	L	90.5	Very high	86.3	Confident	4 Å²	4	49 Å²	49	2%	0.021	22%	0.224	C	C	.	.			trans	-63.9	120.1	177.9	-61.5	-176.3	0	0	0	110.1	V73 L74 Y135 M136 Q139 V141 F167	V73-L77 PolarHBondContact O-N 3.09Å; L74-L77 HydrophobicContact CD2-CD1 4.31Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.36Å; L77-Y135 HydrophobicContact CB-CE1 4.1Å; L77-Y135 HydrophobicContact CD2-CD1 4.41Å; L77-Y135 HydrophobicContact CD2-CE1 3.76Å; L77-M136 HydrophobicContact CD1-CG 4.29Å; L77-Q139 HydrophobicContact CD2-CB 3.57Å; L77-Q139 HydrophobicContact CD2-CG 3.57Å; L77-V141 HydrophobicContact CD1-CB 4.43Å; L77-V141 HydrophobicContact CD1-CG1 4.39Å; L77-V141 HydrophobicContact CD1-CG2 4.15Å; L77-F167 HydrophobicContact CD1-CD2 3.76Å; L77-F167 HydrophobicContact CD1-CE2 3.57Å
78	R	93.8	Very high	87.2	Confident	169 Å²	169	48 Å²	48	64%	0.638	22%	0.219	S	C	*	.			trans	-134.6	102.9	176.6	-66	-174.8	-175.3	-169.1	3.6	108.9	R76 Y135	R76-R78 PolarHBondContact O-N 3.12Å; R78-Y135 PolarHBondContact N-OH 3.23Å; R78-Y135 VanDerWaalsContact N-OH 3.13Å; R78-Y135 PolarHBondContact O-OH 3.49Å
79	H	96.6	Very high	88	Confident	40 Å²	40	46.6 Å²	46.6	19%	0.185	21%	0.211	C	C	.	.			trans	-142.6	142.5	-179.7	-174	-93.4	0	0	0	109.8	N81 I82 Y135	H79-N81 PolarHBondContact ND1-N 3.26Å; H79-N81 PolarHBondContact O-N 2.99Å; H79-N81 VanDerWaalsContact O-N 3.08Å; H79-I82 HydrophobicContact CB-CB 4.1Å; H79-I82 HydrophobicContact CB-CD1 3.67Å; H79-I82 HydrophobicContact CB-CG1 3.83Å; H79-I82 PolarHBondContact O-N 2.79Å; H79-Y135 HydrophobicContact CB-CD1 3.69Å; H79-Y135 HydrophobicContact CB-CE1 3.96Å; H79-Y135 HydrophobicContact CB-CG 4.16Å; H79-Y135 AromaticContact CD2-CG 3.85Å
80	P	97.2	Very high	88.6	Confident	78 Å²	78	44.6 Å²	44.6	51%	0.506	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.5	-178.6	21.2	-35.1	0	0	0	114.6	K161	P80-K161 WeakPolarHBondContact O-CD 3.27Å; P80-K161 WeakPolarHBondContact O-CE 3.28Å; P80-K161 PolarHBondContact O-NZ 3.45Å
81	N	97.8	Very high	89.4	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.064	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	19.7	-177.9	-59	107.3	0	0	0	113.8	H79 Q128 A132 I162 V164	H79-N81 PolarHBondContact ND1-N 3.26Å; H79-N81 PolarHBondContact O-N 2.99Å; H79-N81 VanDerWaalsContact O-N 3.08Å; N81-Q128 PolarHBondContact ND2-OE1 2.75Å; N81-A132 HydrophobicContact CB-CB 4.02Å; N81-I162 WeakPolarHBondContact CB-O 3.45Å; N81-I162 PolarHBondContact ND2-O 3.46Å; N81-V164 PolarHBondContact O-N 2.85Å
82	I	96	Very high	89.6	Confident	3 Å²	3	50 Å²	50	2%	0.015	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-121.8	130.7	173.8	-62.1	175.7	0	0	0	108	H79 R84 A132 Y135 M136 F167	H79-I82 HydrophobicContact CB-CB 4.1Å; H79-I82 HydrophobicContact CB-CD1 3.67Å; H79-I82 HydrophobicContact CB-CG1 3.83Å; H79-I82 PolarHBondContact O-N 2.79Å; I82-R84 PolarHBondContact O-N 2.78Å; I82-A132 HydrophobicContact CD1-CB 4.32Å; I82-A132 HydrophobicContact CG1-CB 3.72Å; I82-Y135 HydrophobicContact CD1-CD1 3.67Å; I82-Y135 HydrophobicContact CD1-CE1 4.32Å; I82-M136 HydrophobicContact CD1-CG 3.55Å; I82-M136 HydrophobicContact CD1-SD 4.22Å; I82-F167 HydrophobicContact CG2-CD1 3.63Å; I82-F167 HydrophobicContact CG2-CE1 3.35Å; I82-F167 HydrophobicContact CG2-CE2 4.38Å; I82-F167 HydrophobicContact CG2-CG 4.28Å; I82-F167 HydrophobicContact CG2-CZ 3.76Å
83	V	95.1	Very high	89.7	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	26%	0.255	C	S	.	.			trans	-60.9	119.9	175.3	174.7	0	0	0	0	109.1	L85 M99 E100 V102 M163 V164 F167	V83-L85 PolarHBondContact O-N 3.05Å; V83-M99 HydrophobicContact CG1-CB 4.08Å; V83-E100 HydrophobicContact CG1-CB 4.07Å; V83-E100 WeakPolarHBondContact CG1-O 3.36Å; V83-V102 HydrophobicContact CG2-CG1 4.03Å; V83-M163 HydrophobicContact CG2-CB 3.84Å; V83-M163 HydrophobicContact CG2-CE 4.48Å; V83-V164 PolarHBondContact N-O 2.87Å; V83-F167 WeakPolarHBondContact O-CE1 3.49Å; V83-F167 WeakPolarHBondContact O-CZ 3.48Å
84	R	93.7	Very high	89.8	Confident	94 Å²	94	51.1 Å²	51.1	36%	0.355	24%	0.244	S	C	.	.			trans	-72.2	132.2	-175.8	-175.2	167.5	169.2	-159.2	-3.8	112.2	I82 F86 M99 E100	I82-R84 PolarHBondContact O-N 2.78Å; R84-F86 HydrophobicContact CB-CD1 4.49Å; R84-F86 HydrophobicContact CB-CE1 4.09Å; R84-F86 HydrophobicContact CG-CD1 3.89Å; R84-F86 HydrophobicContact CG-CE1 3.84Å; R84-M99 CarbonylContact O-C 3.5Å; R84-M99 VanDerWaalsContact O-CA 3.28Å; R84-M99 WeakPolarHBondContact O-CA 3.26Å; R84-E100 HydrophobicContact CB-CB 4.09Å; R84-E100 PolarHBondContact N-OE2 2.83Å; R84-E100 VanDerWaalsContact N-OE2 3.14Å; R84-E100 PolarHBondContact O-N 3.38Å
85	L	92.1	Very high	89.9	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	110.7	166.2	-176.3	65.4	0	0	0	109.3	L74 R75 V83 D87 V88 L97 M99	L74-L85 HydrophobicContact CB-CD2 3.89Å; R75-L85 HydrophobicContact CG-CD2 3.92Å; R75-L85 HydrophobicContact CG-CG 4.18Å; V83-L85 PolarHBondContact O-N 3.05Å; L85-D87 WeakPolarHBondContact CD1-O 3.41Å; L85-V88 HydrophobicContact CD1-CG2 4.09Å; L85-V88 HydrophobicContact CD2-CG2 3.79Å; L85-V88 HydrophobicContact CG-CG2 4.22Å; L85-L97 HydrophobicContact CD1-CB 3.9Å; L85-L97 HydrophobicContact CD1-CG 4.3Å; L85-M99 HydrophobicContact CD1-CG 3.9Å
86	F	90.7	Very high	90.1	Very high	72 Å²	72	50.8 Å²	50.8	32%	0.316	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-48.9	-180	-61.6	-48	0	0	0	111.9	V37 R75 R84 V98 E100	V37-F86 HydrophobicContact CG1-CD2 3.96Å; V37-F86 HydrophobicContact CG1-CE2 3.98Å; R75-F86 PolarHBondContact NH2-O 2.92Å; R84-F86 HydrophobicContact CB-CD1 4.49Å; R84-F86 HydrophobicContact CB-CE1 4.09Å; R84-F86 HydrophobicContact CG-CD1 3.89Å; R84-F86 HydrophobicContact CG-CE1 3.84Å; F86-V98 HydrophobicContact CB-CG1 4.27Å; F86-V98 WeakPolarHBondContact CB-O 3.42Å; F86-V98 HydrophobicContact CD2-CG1 4.35Å; F86-V98 PolarHBondContact N-O 3.2Å; F86-E100 VanDerWaalsContact CE2-CA 3.49Å; F86-E100 HydrophobicContact CE2-CB 4.14Å; F86-E100 HydrophobicContact CZ-CB 3.91Å; F86-E100 HydrophobicContact CZ-CG 4.44Å
87	D	88.8	Confident	90.2	Very high	12 Å²	12	43 Å²	43	6%	0.064	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161.7	-177.9	-146.2	-8.6	0	0	0	111.9	S3 R75 L85 L89 V98	S3-D87 VanDerWaalsContact CB-OD1 3.29Å; S3-D87 WeakPolarHBondContact CB-OD1 3.46Å; S3-D87 WeakPolarHBondContact CB-OD2 3.37Å; S3-D87 PolarHBondContact OG-OD2 3.16Å; S3-D87 VanDerWaalsContact OG-OD2 3.05Å; R75-D87 IonicContact CZ-OD1 3.92Å; R75-D87 IonicContact NH1-OD1 2.89Å; R75-D87 PolarHBondContact NH1-OD1 3.22Å; R75-D87 IonicContact NH2-OD1 2.78Å; R75-D87 PolarHBondContact NH2-OD1 3.16Å; L85-D87 WeakPolarHBondContact CD1-O 3.41Å; D87-L89 HydrophobicContact CB-CD2 4.26Å; D87-V98 HydrophobicContact CB-CB 4.15Å; D87-V98 HydrophobicContact CB-CG2 4.25Å; D87-V98 PolarHBondContact N-O 2.77Å; D87-V98 PolarHBondContact O-N 3.43Å
88	V	87.5	Confident	90.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.7	167.2	-177.4	0	0	0	0	107.5	V2 S3 I71 L85 Y96 L97	V2-V88 VanDerWaalsContact CG1-O 3.28Å; V2-V88 WeakPolarHBondContact CG1-O 3.41Å; S3-V88 PolarHBondContact N-O 3.36Å; I71-V88 HydrophobicContact CD1-CB 4.47Å; I71-V88 HydrophobicContact CD1-CG1 3.98Å; I71-V88 HydrophobicContact CG1-CG2 4.32Å; I71-V88 HydrophobicContact CG2-CB 3.9Å; I71-V88 HydrophobicContact CG2-CG2 3.49Å; I71-V88 VanDerWaalsContact CG2-CG2 3.49Å; L85-V88 HydrophobicContact CD1-CG2 4.09Å; L85-V88 HydrophobicContact CD2-CG2 3.79Å; L85-V88 HydrophobicContact CG-CG2 4.22Å; V88-Y96 CarbonylContact C-O 3.57Å; V88-Y96 WeakPolarHBondContact CA-O 3.3Å; V88-L97 HydrophobicContact CG1-CD1 4.43Å; V88-L97 HydrophobicContact CG2-CG 4.39Å
89	L	89.2	Confident	90.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	157.2	177.2	-41.8	-179.8	0	0	0	109.2	Q5 I7 Y10 D87 Y96 V98	Q5-L89 HydrophobicContact CB-CD2 4.41Å; Q5-L89 WeakPolarHBondContact O-CD2 3.41Å; I7-L89 HydrophobicContact CB-CD1 4.22Å; I7-L89 HydrophobicContact CD1-CD1 3.78Å; Y10-L89 HydrophobicContact CD2-CD1 4.2Å; Y10-L89 HydrophobicContact CE2-CD1 4.03Å; D87-L89 HydrophobicContact CB-CD2 4.26Å; L89-Y96 HydrophobicContact CB-CD2 4.43Å; L89-Y96 PolarHBondContact N-O 3.28Å; L89-Y96 PolarHBondContact O-N 2.84Å; L89-V98 HydrophobicContact CD1-CG2 4.22Å; L89-V98 HydrophobicContact CG-CG2 4.24Å
90	E	85	Confident	90.3	Very high	58 Å²	58	36.1 Å²	36.1	27%	0.271	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132	-178	-174.2	-173.6	174.6	0	0	108	V2 K44 K64 Y95	V2-E90 HydrophobicContact CG1-CB 3.62Å; V2-E90 HydrophobicContact CG2-CB 4.42Å; K44-E90 VanDerWaalsContact CE-CG 3.42Å; K44-E90 WeakPolarHBondContact CE-OE1 3.45Å; K44-E90 VanDerWaalsContact NZ-CD 3.3Å; K44-E90 IonicContact NZ-OE1 3.94Å; K44-E90 PolarHBondContact NZ-OE1 3.35Å; K64-E90 IonicContact NZ-OE1 2.83Å; K64-E90 PolarHBondContact NZ-OE1 3.44Å; K64-E90 VanDerWaalsContact NZ-OE1 3.07Å; K64-E90 IonicContact NZ-OE2 3.04Å; K64-E90 PolarHBondContact NZ-OE2 3.06Å; E90-Y95 HydrophobicContact CB-CD1 4.09Å; E90-Y95 HydrophobicContact CB-CE1 4.26Å; E90-Y95 HydrophobicContact CG-CD1 3.81Å; E90-Y95 HydrophobicContact CG-CE1 3.63Å
91	D	85.9	Confident	90.2	Very high	60 Å²	60	34.2 Å²	34.2	32%	0.321	17%	0.174	S	C	.	.			trans	-118.4	-165.1	164.9	77.5	-2	0	0	0	110.3	K44 E93 C94 Y96	K44-D91 WeakPolarHBondContact CE-O 3.25Å; K44-D91 PolarHBondContact NZ-O 3.06Å; D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.46Å; D91-E93 PolarHBondContact OD1-N 3.39Å; D91-C94 PolarHBondContact N-O 2.94Å; D91-C94 VanDerWaalsContact N-O 3.09Å; D91-C94 PolarHBondContact OD1-N 2.87Å; D91-Y96 HydrophobicContact CB-CE2 4.14Å; D91-Y96 PolarHBondContact OD2-OH 2.84Å; D91-Y96 VanDerWaalsContact OD2-OH 3.05Å
92	A	83	Confident	90.1	Very high	86 Å²	86	34.9 Å²	34.9	71%	0.711	18%	0.178	S	C	*	.	S	Bend	trans	-63.9	-30.3	179.4	0	0	0	0	0	113.5
93	E	82.3	Confident	90	Very high	119 Å²	119	38.7 Å²	38.7	56%	0.556	20%	0.202	S	C	*	.	S	Bend	trans	-109.7	-29.3	-165.6	-66.5	-62.4	139.5	0	0	113.4	K44 D91	K44-E93 WeakPolarHBondContact CB-O 3.41Å; K44-E93 PolarHBondContact N-O 3.36Å; D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.46Å; D91-E93 PolarHBondContact OD1-N 3.39Å
94	C	84.1	Confident	90	Very high	16 Å²	16	38.7 Å²	38.7	11%	0.108	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.3	-167.7	-65.1	0	0	0	0	113.2	I42 D91 Y96	I42-C94 CarbonylContact O-C 3.58Å; I42-C94 VanDerWaalsContact O-CA 3.26Å; I42-C94 WeakPolarHBondContact O-CA 3.42Å; D91-C94 PolarHBondContact N-O 2.94Å; D91-C94 VanDerWaalsContact N-O 3.09Å; D91-C94 PolarHBondContact OD1-N 2.87Å; C94-Y96 HydrophobicContact CB-CD2 4.39Å; C94-Y96 HydrophobicContact CB-CE1 4.15Å; C94-Y96 HydrophobicContact CB-CE2 3.75Å
95	Y	85.1	Confident	89.9	Confident	30 Å²	30	36 Å²	36	12%	0.118	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.3	154.9	-65	-74.3	0	0	0	109.1	C41 I42 K44 L47 L67 E90	C41-Y95 CarbonylContact C-O 3.59Å; C41-Y95 WeakPolarHBondContact CA-O 3.35Å; I42-Y95 PolarHBondContact N-O 3.37Å; I42-Y95 PolarHBondContact O-N 2.96Å; K44-Y95 HydrophobicContact CD-CE2 4.31Å; K44-Y95 HydrophobicContact CG-CD2 3.93Å; K44-Y95 HydrophobicContact CG-CE2 3.78Å; L47-Y95 HydrophobicContact CD1-CD2 3.91Å; L47-Y95 HydrophobicContact CD1-CE2 3.75Å; L67-Y95 HydrophobicContact CD2-CE1 4.42Å; E90-Y95 HydrophobicContact CB-CD1 4.09Å; E90-Y95 HydrophobicContact CB-CE1 4.26Å; E90-Y95 HydrophobicContact CG-CD1 3.81Å; E90-Y95 HydrophobicContact CG-CE1 3.63Å
96	Y	90.1	Very high	90	Very high	28 Å²	28	37.9 Å²	37.9	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.4	178.4	-58	-87.3	0	0	0	109.6	I7 F12 I39 K40 C41 V88 L89 D91 C94	I7-Y96 HydrophobicContact CB-CD2 4.26Å; I7-Y96 HydrophobicContact CB-CE2 4.29Å; I7-Y96 HydrophobicContact CD1-CD1 3.75Å; I7-Y96 HydrophobicContact CD1-CD2 4.21Å; I7-Y96 HydrophobicContact CD1-CE1 4.36Å; I7-Y96 HydrophobicContact CD1-CG 3.66Å; I7-Y96 HydrophobicContact CG1-CD1 3.92Å; I7-Y96 HydrophobicContact CG1-CD2 4.14Å; I7-Y96 HydrophobicContact CG1-CE1 4.02Å; I7-Y96 HydrophobicContact CG1-CE2 4.24Å; I7-Y96 HydrophobicContact CG1-CG 3.97Å; I7-Y96 HydrophobicContact CG2-CE2 4.24Å; F12-Y96 HydrophobicContact CZ-CD1 4.04Å; F12-Y96 AromaticContact CZ-CE1 3.97Å; F12-Y96 HydrophobicContact CZ-CE1 3.97Å; I39-Y96 HydrophobicContact CG2-CD1 3.97Å; I39-Y96 HydrophobicContact CG2-CG 4.47Å; K40-Y96 WeakPolarHBondContact O-CA 3.4Å; C41-Y96 HydrophobicContact CB-CD1 4.28Å; C41-Y96 HydrophobicContact CB-CE1 4.28Å; C41-Y96 VanDerWaalsContact SG-CD1 3.59Å; V88-Y96 CarbonylContact C-O 3.57Å; V88-Y96 WeakPolarHBondContact CA-O 3.3Å; L89-Y96 HydrophobicContact CB-CD2 4.43Å; L89-Y96 PolarHBondContact N-O 3.28Å; L89-Y96 PolarHBondContact O-N 2.84Å; D91-Y96 HydrophobicContact CB-CE2 4.14Å; D91-Y96 PolarHBondContact OD2-OH 2.84Å; D91-Y96 VanDerWaalsContact OD2-OH 3.05Å; C94-Y96 HydrophobicContact CB-CD2 4.39Å; C94-Y96 HydrophobicContact CB-CE1 4.15Å; C94-Y96 HydrophobicContact CB-CE2 3.75Å
97	L	90.2	Very high	90.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.1	177.1	-73.6	62.3	0	0	0	107.5	I39 K40 I42 L85 V88 M99 L169	I39-L97 WeakPolarHBondContact CA-O 3.29Å; K40-L97 HydrophobicContact CB-CB 4.25Å; K40-L97 PolarHBondContact N-O 2.87Å; K40-L97 PolarHBondContact O-N 3.13Å; I42-L97 HydrophobicContact CD1-CD1 3.79Å; I42-L97 HydrophobicContact CD1-CD2 4.2Å; I42-L97 HydrophobicContact CG1-CD1 4.37Å; L85-L97 HydrophobicContact CD1-CB 3.9Å; L85-L97 HydrophobicContact CD1-CG 4.3Å; V88-L97 HydrophobicContact CG1-CD1 4.43Å; V88-L97 HydrophobicContact CG2-CG 4.39Å; L97-M99 HydrophobicContact CB-CG 4.33Å; L97-M99 HydrophobicContact CB-SD 4.39Å; L97-L169 HydrophobicContact CD2-CD1 3.84Å; L97-L169 HydrophobicContact CD2-CD2 3.45Å; L97-L169 VanDerWaalsContact CD2-CD2 3.45Å; L97-L169 HydrophobicContact CD2-CG 4.31Å
98	V	93.3	Very high	90.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.4	180	-175.1	0	0	0	0	108.5	Y10 V37 I39 F86 D87 L89	Y10-V98 HydrophobicContact CE1-CG1 4.2Å; Y10-V98 HydrophobicContact CE2-CG1 4.26Å; Y10-V98 HydrophobicContact CE2-CG2 3.87Å; V37-V98 HydrophobicContact CB-CG1 4.07Å; V37-V98 HydrophobicContact CG1-CG1 4.1Å; V37-V98 HydrophobicContact CG2-CG1 4.02Å; I39-V98 HydrophobicContact CD1-CG2 4.38Å; I39-V98 HydrophobicContact CG1-CG2 4.37Å; F86-V98 HydrophobicContact CB-CG1 4.27Å; F86-V98 WeakPolarHBondContact CB-O 3.42Å; F86-V98 HydrophobicContact CD2-CG1 4.35Å; F86-V98 PolarHBondContact N-O 3.2Å; D87-V98 HydrophobicContact CB-CB 4.15Å; D87-V98 HydrophobicContact CB-CG2 4.25Å; D87-V98 PolarHBondContact N-O 2.77Å; D87-V98 PolarHBondContact O-N 3.43Å; L89-V98 HydrophobicContact CD1-CG2 4.22Å; L89-V98 HydrophobicContact CG-CG2 4.24Å
99	M	94.5	Very high	90.5	Very high	23 Å²	23	36.2 Å²	36.2	11%	0.113	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161	-168.1	-56.7	177.1	-60.2	0	0	112.2	V24 V37 A38 K40 V83 R84 L85 L97 L101	V24-M99 HydrophobicContact CG1-CE 4.43Å; V37-M99 WeakPolarHBondContact CB-O 3.48Å; A38-M99 HydrophobicContact CB-CE 4.44Å; A38-M99 PolarHBondContact N-O 3.27Å; A38-M99 WeakPolarHBondContact O-CA 3.5Å; A38-M99 WeakPolarHBondContact O-CB 2.92Å; A38-M99 PolarHBondContact O-N 3.4Å; K40-M99 HydrophobicContact CB-CE 3.63Å; V83-M99 HydrophobicContact CG1-CB 4.08Å; R84-M99 CarbonylContact O-C 3.5Å; R84-M99 VanDerWaalsContact O-CA 3.28Å; R84-M99 WeakPolarHBondContact O-CA 3.26Å; L85-M99 HydrophobicContact CD1-CG 3.9Å; L97-M99 HydrophobicContact CB-CG 4.33Å; L97-M99 HydrophobicContact CB-SD 4.39Å; M99-L101 PolarHBondContact O-N 2.93Å
100	E	95.1	Very high	90.7	Very high	45 Å²	45	37.7 Å²	37.7	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	128.8	168.6	-177.5	173.1	-148.8	0	0	110.7	V83 R84 F86 V102 F154 M163	V83-E100 HydrophobicContact CG1-CB 4.07Å; V83-E100 WeakPolarHBondContact CG1-O 3.36Å; R84-E100 HydrophobicContact CB-CB 4.09Å; R84-E100 PolarHBondContact N-OE2 2.83Å; R84-E100 VanDerWaalsContact N-OE2 3.14Å; R84-E100 PolarHBondContact O-N 3.38Å; F86-E100 VanDerWaalsContact CE2-CA 3.49Å; F86-E100 HydrophobicContact CE2-CB 4.14Å; F86-E100 HydrophobicContact CZ-CB 3.91Å; F86-E100 HydrophobicContact CZ-CG 4.44Å; E100-V102 PolarHBondContact O-N 2.89Å; E100-F154 WeakPolarHBondContact OE1-CE2 3.26Å; E100-M163 WeakPolarHBondContact OE2-CE 3.32Å
101	L	95.7	Very high	91	Very high	38 Å²	38	35 Å²	35	20%	0.199	20%	0.2	C	C	.	.			trans	-76.2	124	175.4	179.7	65.9	0	0	0	109.6	L16 L26 F36 A38 M99 T103	L16-L101 HydrophobicContact CD1-CD1 3.65Å; L26-L101 HydrophobicContact CD1-CD1 3.91Å; L26-L101 HydrophobicContact CD1-CD2 3.55Å; L26-L101 HydrophobicContact CD1-CG 4.37Å; F36-L101 HydrophobicContact CB-CD2 3.74Å; A38-L101 HydrophobicContact CB-CD1 4.18Å; M99-L101 PolarHBondContact O-N 2.93Å; L101-T103 HydrophobicContact CD1-CG2 4.29Å; L101-T103 HydrophobicContact CD2-CG2 3.98Å; L101-T103 HydrophobicContact CG-CG2 3.82Å
102	V	95	Very high	91.3	Very high	26 Å²	26	33.1 Å²	33.1	16%	0.158	19%	0.191	C	C	.	.			trans	-115.1	133.4	170.9	-64.3	0	0	0	0	109.2	V83 E100 L152 F154 M163	V83-V102 HydrophobicContact CG2-CG1 4.03Å; E100-V102 PolarHBondContact O-N 2.89Å; V102-L152 HydrophobicContact CG2-CB 3.83Å; V102-L152 HydrophobicContact CG2-CD1 3.46Å; V102-L152 VanDerWaalsContact CG2-CD1 3.46Å; V102-L152 HydrophobicContact CG2-CG 4.29Å; V102-F154 HydrophobicContact CG1-CD2 4.2Å; V102-M163 HydrophobicContact CG1-CB 4.17Å; V102-M163 HydrophobicContact CG1-CE 4.47Å; V102-M163 HydrophobicContact CG1-CG 3.91Å
103	T	94.5	Very high	91.7	Very high	84 Å²	84	35.1 Å²	35.1	52%	0.515	19%	0.186	S	C	.	.			trans	-125.4	1.8	-169.3	58.9	0	0	0	0	113.9	L101 G105 F154	L101-T103 HydrophobicContact CD1-CG2 4.29Å; L101-T103 HydrophobicContact CD2-CG2 3.98Å; L101-T103 HydrophobicContact CG-CG2 3.82Å; T103-G105 PolarHBondContact O-N 3.34Å; T103-F154 PolarHBondContact N-O 2.98Å
104	G	93.8	Very high	92	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	18%	0.177	C	C	.	.	S	Bend	trans	-77.6	-5.8	-179.9	0	0	0	0	0	114.7	R110 Y153 S155	G104-R110 WeakPolarHBondContact O-CD 3.48Å; G104-R110 WeakPolarHBondContact O-CG 3.49Å; G104-Y153 WeakPolarHBondContact CA-O 3.29Å; G104-Y153 PolarHBondContact N-O 3.13Å; G104-S155 WeakPolarHBondContact CA-O 3.11Å
105	G	92.5	Very high	92.2	Very high	39 Å²	39	34.9 Å²	34.9	40%	0.402	19%	0.194	S	C	.	.			trans	75.8	-174.1	-177.9	0	0	0	0	0	113.1	T103 L152 Y153	T103-G105 PolarHBondContact O-N 3.34Å; G105-L152 CarbonylContact O-C 3.58Å; G105-L152 WeakPolarHBondContact O-CA 3.18Å; G105-Y153 PolarHBondContact O-N 2.83Å
106	E	92.7	Very high	92.6	Very high	47 Å²	47	36.4 Å²	36.4	22%	0.22	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-83.9	156.8	-172.1	-61	-177.5	-138.7	0	0	113.2	F108 D109 R110 L152 K310	E106-F108 PolarHBondContact O-N 2.97Å; E106-D109 PolarHBondContact O-N 3.4Å; E106-R110 PolarHBondContact O-N 3.18Å; E106-R110 VanDerWaalsContact O-N 3.12Å; E106-L152 HydrophobicContact CB-CD2 4.27Å; E106-L152 HydrophobicContact CG-CD2 3.59Å; E106-K310 IonicContact OE1-NZ 3.73Å; E106-K310 PolarHBondContact OE1-NZ 2.72Å; E106-K310 IonicContact OE2-NZ 3.66Å; E106-K310 PolarHBondContact OE2-NZ 3.12Å
107	L	94	Very high	92.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-46	-58	-177.1	176.3	53.3	0	0	0	114.1	R110 I111 L125 P148 L151 Y153 I162 I215 L219	L107-R110 PolarHBondContact O-N 3.15Å; L107-I111 HydrophobicContact CD1-CD1 3.86Å; L107-I111 HydrophobicContact CD1-CG1 4.43Å; L107-I111 HydrophobicContact CG-CD1 4.29Å; L107-I111 WeakPolarHBondContact O-CG1 2.95Å; L107-I111 PolarHBondContact O-N 2.81Å; L107-I111 VanDerWaalsContact O-N 3.11Å; L107-L125 HydrophobicContact CD1-CD1 3.28Å; L107-L125 HydrophobicContact CD1-CD2 4.02Å; L107-L125 HydrophobicContact CD1-CG 4.28Å; L107-L125 HydrophobicContact CD2-CD2 4.33Å; L107-P148 HydrophobicContact CD2-CB 4.36Å; L107-L151 HydrophobicContact CB-CB 4.12Å; L107-L151 WeakPolarHBondContact CB-O 3.12Å; L107-L151 HydrophobicContact CD2-CB 4.04Å; L107-L151 HydrophobicContact CD2-CD1 3.65Å; L107-L151 HydrophobicContact CD2-CG 4.48Å; L107-L151 PolarHBondContact N-O 2.88Å; L107-Y153 HydrophobicContact CD1-CE2 4.14Å; L107-I162 HydrophobicContact CD1-CD1 4.3Å; L107-I215 HydrophobicContact CD2-CG2 4.31Å; L107-L219 HydrophobicContact CD1-CD2 4.1Å; L107-L219 HydrophobicContact CD2-CD2 4.07Å; L107-L219 HydrophobicContact CG-CD2 4.19Å
108	F	93.3	Very high	93.1	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.053	21%	0.211	C	C	.	.	H	α-helix	trans	-72.4	-35.2	-174	-70.8	-19.6	0	0	0	113.5	E106 R110 I111 V112 P148 I218 L219 I302 F306 L307	E106-F108 PolarHBondContact O-N 2.97Å; F108-R110 VanDerWaalsContact C-N 3.25Å; F108-R110 PolarHBondContact O-N 2.94Å; F108-I111 HydrophobicContact CD1-CD1 4.4Å; F108-I111 PolarHBondContact O-N 2.91Å; F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 2.93Å; F108-V112 VanDerWaalsContact O-N 3.11Å; F108-P148 HydrophobicContact CD2-CB 3.86Å; F108-P148 HydrophobicContact CD2-CG 4.38Å; F108-P148 HydrophobicContact CE1-CB 4.12Å; F108-P148 HydrophobicContact CE1-CG 4.2Å; F108-P148 HydrophobicContact CE2-CB 3.39Å; F108-P148 HydrophobicContact CE2-CG 3.43Å; F108-P148 VanDerWaalsContact CE2-CG 3.43Å; F108-P148 HydrophobicContact CG-CB 4.41Å; F108-P148 HydrophobicContact CZ-CB 3.52Å; F108-P148 HydrophobicContact CZ-CG 3.3Å; F108-I218 HydrophobicContact CE1-CG2 3.81Å; F108-I218 HydrophobicContact CE2-CG2 4.13Å; F108-I218 HydrophobicContact CZ-CB 4.19Å; F108-I218 HydrophobicContact CZ-CG2 3.32Å; F108-L219 HydrophobicContact CE1-CD2 4.15Å; F108-I302 HydrophobicContact CB-CG2 3.64Å; F108-I302 HydrophobicContact CD1-CD1 3.94Å; F108-I302 HydrophobicContact CD1-CG1 4.48Å; F108-I302 HydrophobicContact CD1-CG2 4.34Å; F108-I302 HydrophobicContact CD2-CG2 4.4Å; F108-I302 HydrophobicContact CE1-CD1 4.36Å; F108-I302 HydrophobicContact CG-CG2 3.9Å; F108-F306 HydrophobicContact CD2-CB 3.87Å; F108-F306 HydrophobicContact CD2-CD1 4.21Å; F108-F306 HydrophobicContact CD2-CD2 4.34Å; F108-F306 AromaticContact CD2-CG 3.88Å; F108-F306 HydrophobicContact CD2-CG 3.88Å; F108-F306 HydrophobicContact CE2-CB 4.18Å; F108-F306 AromaticContact CE2-CD1 3.67Å; F108-F306 HydrophobicContact CE2-CD1 3.67Å; F108-F306 HydrophobicContact CE2-CD2 4.02Å; F108-F306 HydrophobicContact CE2-CE1 4.01Å; F108-F306 HydrophobicContact CE2-CE2 4.33Å; F108-F306 AromaticContact CE2-CG 3.67Å; F108-F306 HydrophobicContact CE2-CG 3.67Å; F108-F306 HydrophobicContact CE2-CZ 4.32Å; F108-L307 HydrophobicContact CB-CD2 4.11Å
109	D	91.8	Very high	93.2	Very high	38 Å²	38	36.2 Å²	36.2	20%	0.203	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-40.5	174.7	-72.7	-65.4	0	0	0	110.4	E106 Q113 L307 K310	E106-D109 PolarHBondContact O-N 3.4Å; D109-Q113 WeakPolarHBondContact O-CB 3.27Å; D109-Q113 WeakPolarHBondContact O-CG 3.16Å; D109-Q113 PolarHBondContact O-N 2.99Å; D109-Q113 VanDerWaalsContact O-N 3.16Å; D109-Q113 PolarHBondContact O-NE2 3.12Å; D109-L307 WeakPolarHBondContact OD1-CD2 3.44Å; D109-K310 IonicContact OD2-NZ 3.58Å
110	R	92.6	Very high	93.3	Very high	33 Å²	33	39.3 Å²	39.3	13%	0.125	22%	0.221	C	C	.	.	H	α-helix	trans	-71.3	-40.3	178.8	-73.8	-70.5	-72	163.4	-2.9	113.5	G104 E106 L107 F108 V112 Q113 K114 Y153 P156 A157 D158	G104-R110 WeakPolarHBondContact O-CD 3.48Å; G104-R110 WeakPolarHBondContact O-CG 3.49Å; E106-R110 PolarHBondContact O-N 3.18Å; E106-R110 VanDerWaalsContact O-N 3.12Å; L107-R110 PolarHBondContact O-N 3.15Å; F108-R110 VanDerWaalsContact C-N 3.25Å; F108-R110 PolarHBondContact O-N 2.94Å; R110-V112 VanDerWaalsContact C-N 3.29Å; R110-V112 PolarHBondContact O-N 3.3Å; R110-Q113 PolarHBondContact O-N 3.41Å; R110-Q113 VanDerWaalsContact O-N 3.15Å; R110-K114 WeakPolarHBondContact O-CB 3.5Å; R110-K114 PolarHBondContact O-N 3.13Å; R110-Y153 HydrophobicContact CB-CD2 3.57Å; R110-Y153 HydrophobicContact CB-CE2 3.35Å; R110-Y153 HydrophobicContact CB-CG 4.45Å; R110-Y153 HydrophobicContact CG-CD2 3.43Å; R110-Y153 VanDerWaalsContact CG-CD2 3.43Å; R110-Y153 HydrophobicContact CG-CE2 3.81Å; R110-Y153 HydrophobicContact CG-CG 4.06Å; R110-P156 PolarHBondContact NH2-O 3.34Å; R110-P156 VanDerWaalsContact NH2-O 3.15Å; R110-A157 PolarHBondContact NH2-O 3.09Å; R110-D158 IonicContact NH2-OD1 2.78Å
111	I	92	Very high	93.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-44.4	174.8	-69.3	171.4	0	0	0	110.5	L107 F108 Q113 Y117 L219 Y295 I302	L107-I111 HydrophobicContact CD1-CD1 3.86Å; L107-I111 HydrophobicContact CD1-CG1 4.43Å; L107-I111 HydrophobicContact CG-CD1 4.29Å; L107-I111 WeakPolarHBondContact O-CG1 2.95Å; L107-I111 PolarHBondContact O-N 2.81Å; L107-I111 VanDerWaalsContact O-N 3.11Å; F108-I111 HydrophobicContact CD1-CD1 4.4Å; F108-I111 PolarHBondContact O-N 2.91Å; I111-Q113 VanDerWaalsContact C-N 3.27Å; I111-Q113 PolarHBondContact O-N 3.17Å; I111-Y117 HydrophobicContact CD1-CE2 3.81Å; I111-Y117 HydrophobicContact CG1-CD2 4.13Å; I111-Y117 HydrophobicContact CG1-CE2 3.74Å; I111-Y117 HydrophobicContact CG2-CD1 4.37Å; I111-Y117 HydrophobicContact CG2-CD2 3.95Å; I111-Y117 HydrophobicContact CG2-CE2 4.19Å; I111-Y117 HydrophobicContact CG2-CG 4.04Å; I111-L219 HydrophobicContact CD1-CD2 3.25Å; I111-Y295 WeakPolarHBondContact O-CE2 3.36Å; I111-I302 HydrophobicContact CB-CD1 4.39Å; I111-I302 HydrophobicContact CD1-CD1 4.42Å; I111-I302 HydrophobicContact CG2-CD1 3.89Å
112	V	92.6	Very high	93.4	Very high	21 Å²	21	37.6 Å²	37.6	13%	0.127	21%	0.214	C	C	.	.	H	α-helix	trans	-69.2	-23.4	179.4	173.7	0	0	0	0	113	F108 R110 Y295 I302 L307	F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 2.93Å; F108-V112 VanDerWaalsContact O-N 3.11Å; R110-V112 VanDerWaalsContact C-N 3.29Å; R110-V112 PolarHBondContact O-N 3.3Å; V112-Y295 PolarHBondContact O-OH 3.09Å; V112-I302 HydrophobicContact CG2-CB 4.1Å; V112-I302 HydrophobicContact CG2-CG2 3.67Å; V112-L307 HydrophobicContact CB-CD1 4.09Å; V112-L307 HydrophobicContact CG1-CD1 4.24Å; V112-L307 HydrophobicContact CG2-CD1 3.76Å
113	Q	90.4	Very high	93.5	Very high	129 Å²	129	36.9 Å²	36.9	60%	0.603	21%	0.209	S	C	*	.	H	α-helix	trans	-89	-26.2	179.6	-72.7	168.3	26.1	0	0	113.9	D109 R110 I111 G115	D109-Q113 WeakPolarHBondContact O-CB 3.27Å; D109-Q113 WeakPolarHBondContact O-CG 3.16Å; D109-Q113 PolarHBondContact O-N 2.99Å; D109-Q113 VanDerWaalsContact O-N 3.16Å; D109-Q113 PolarHBondContact O-NE2 3.12Å; R110-Q113 PolarHBondContact O-N 3.41Å; R110-Q113 VanDerWaalsContact O-N 3.15Å; I111-Q113 VanDerWaalsContact C-N 3.27Å; I111-Q113 PolarHBondContact O-N 3.17Å; Q113-G115 VanDerWaalsContact C-N 3.3Å; Q113-G115 PolarHBondContact O-N 3.49Å
114	K	88.4	Confident	93.6	Very high	83 Å²	83	35.2 Å²	35.2	36%	0.361	21%	0.205	S	C	.	.	S	Bend	trans	-65.3	-26.3	-169.5	-168.6	176.1	176.9	-174.1	0	114.3	R110 S116 D121	R110-K114 WeakPolarHBondContact O-CB 3.5Å; R110-K114 PolarHBondContact O-N 3.13Å; K114-S116 WeakPolarHBondContact CD-O 3.31Å; K114-S116 PolarHBondContact O-N 2.98Å; K114-D121 IonicContact NZ-OD1 2.74Å; K114-D121 PolarHBondContact NZ-OD1 3.39Å
115	G	89.5	Confident	93.7	Very high	46 Å²	46	35.3 Å²	35.3	47%	0.474	20%	0.203	S	C	.	.	S	Bend	trans	77.7	-7.5	-179.4	0	0	0	0	0	115.5	Q113	Q113-G115 VanDerWaalsContact C-N 3.3Å; Q113-G115 PolarHBondContact O-N 3.49Å
116	S	92.5	Very high	94	Very high	62 Å²	62	33.4 Å²	33.4	43%	0.434	18%	0.184	S	C	.	.			trans	-151.2	144.1	175.6	56.9	0	0	0	0	109.7	K114	K114-S116 WeakPolarHBondContact CD-O 3.31Å; K114-S116 PolarHBondContact O-N 2.98Å
117	Y	94.9	Very high	94.3	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.016	20%	0.195	C	C	.	.			trans	-163.8	129	-177	-167.1	-103.6	0	0	0	110.9	I111 D121 A122 L219 L294 Y295 V298	I111-Y117 HydrophobicContact CD1-CE2 3.81Å; I111-Y117 HydrophobicContact CG1-CD2 4.13Å; I111-Y117 HydrophobicContact CG1-CE2 3.74Å; I111-Y117 HydrophobicContact CG2-CD1 4.37Å; I111-Y117 HydrophobicContact CG2-CD2 3.95Å; I111-Y117 HydrophobicContact CG2-CE2 4.19Å; I111-Y117 HydrophobicContact CG2-CG 4.04Å; Y117-D121 HydrophobicContact CD2-CB 3.87Å; Y117-D121 HydrophobicContact CE2-CB 3.75Å; Y117-A122 HydrophobicContact CE1-CB 4.24Å; Y117-A122 VanDerWaalsContact OH-CA 3.32Å; Y117-A122 WeakPolarHBondContact OH-CA 3.24Å; Y117-A122 VanDerWaalsContact OH-CB 3.28Å; Y117-A122 WeakPolarHBondContact OH-CB 3.5Å; Y117-L219 VanDerWaalsContact CE1-O 3.25Å; Y117-L219 WeakPolarHBondContact CE1-O 3.29Å; Y117-L219 WeakPolarHBondContact OH-CD2 3.48Å; Y117-L294 HydrophobicContact CD1-CB 4.44Å; Y117-L294 PolarHBondContact O-N 3.41Å; Y117-Y295 PolarHBondContact O-N 2.94Å; Y117-V298 HydrophobicContact CD1-CG1 4.31Å; Y117-V298 HydrophobicContact CE1-CG1 4.38Å
118	T	95.9	Very high	94.5	Very high	24 Å²	24	39 Å²	39	15%	0.147	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-125.2	168	-176.4	63.8	0	0	0	0	112	R120 D121 A122 R292	T118-R120 PolarHBondContact O-N 3.39Å; T118-R120 PolarHBondContact OG1-N 3.1Å; T118-D121 PolarHBondContact N-OD2 3.15Å; T118-D121 WeakPolarHBondContact O-CB 3.13Å; T118-D121 PolarHBondContact O-N 3.19Å; T118-D121 VanDerWaalsContact O-N 3.15Å; T118-D121 PolarHBondContact OG1-N 3.21Å; T118-D121 VanDerWaalsContact OG1-N 3.08Å; T118-D121 PolarHBondContact OG1-OD2 3.44Å; T118-A122 PolarHBondContact O-N 3.07Å; T118-A122 VanDerWaalsContact O-N 3.16Å; T118-R292 WeakPolarHBondContact CA-O 3.46Å; T118-R292 WeakPolarHBondContact CB-O 3.5Å; T118-R292 WeakPolarHBondContact CG2-O 3.44Å
119	E	96.3	Very high	94.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-33.7	170.5	-167.5	-174.8	131.4	0	0	111.3	A122 S123 L220 S254 A257 W283 A289 L290 L294	E119-A122 WeakPolarHBondContact O-CB 3.42Å; E119-A122 PolarHBondContact O-N 3Å; E119-S123 WeakPolarHBondContact O-CB 3.49Å; E119-S123 PolarHBondContact O-N 3.02Å; E119-L220 HydrophobicContact CB-CD2 4.33Å; E119-L220 HydrophobicContact CG-CD2 3.75Å; E119-S254 VanDerWaalsContact OE1-CB 3.27Å; E119-S254 WeakPolarHBondContact OE1-CB 3.4Å; E119-S254 PolarHBondContact OE1-OG 3.41Å; E119-S254 PolarHBondContact OE2-N 3.43Å; E119-A257 HydrophobicContact CG-CB 4.5Å; E119-W283 HydrophobicContact CG-CZ2 3.92Å; E119-W283 PolarHBondContact OE1-NE1 3.03Å; E119-A289 HydrophobicContact CG-CB 4.38Å; E119-A289 WeakPolarHBondContact OE1-CA 3.25Å; E119-L290 HydrophobicContact CB-CB 4.34Å; E119-L290 WeakPolarHBondContact CB-O 3.47Å; E119-L290 PolarHBondContact N-O 2.91Å; E119-L294 HydrophobicContact CB-CD1 4.09Å
120	R	95.7	Very high	95	Very high	88 Å²	88	36.6 Å²	36.6	33%	0.332	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-38.8	173.6	-174.8	175.7	-70.8	152.7	15.3	112.8	T118 A122 S123 A124 N287 A289 L290 D291	T118-R120 PolarHBondContact O-N 3.39Å; T118-R120 PolarHBondContact OG1-N 3.1Å; R120-A122 VanDerWaalsContact C-N 3.33Å; R120-S123 PolarHBondContact O-N 3.21Å; R120-A124 WeakPolarHBondContact O-CB 3.42Å; R120-A124 PolarHBondContact O-N 3.35Å; R120-N287 PolarHBondContact NE-OD1 2.87Å; R120-N287 PolarHBondContact NH2-OD1 3.18Å; R120-A289 HydrophobicContact CB-CB 4.33Å; R120-L290 PolarHBondContact N-O 3.12Å; R120-L290 VanDerWaalsContact N-O 3.16Å; R120-D291 WeakPolarHBondContact CD-OD1 3.41Å; R120-D291 IonicContact CZ-OD1 3.44Å; R120-D291 IonicContact CZ-OD2 3.46Å; R120-D291 IonicContact NE-OD1 3.4Å; R120-D291 PolarHBondContact NE-OD1 3.27Å; R120-D291 IonicContact NH1-OD1 3.68Å; R120-D291 PolarHBondContact NH1-OD1 2.78Å; R120-D291 IonicContact NH1-OD2 2.81Å; R120-D291 PolarHBondContact NH1-OD2 3.34Å; R120-D291 VanDerWaalsContact NH2-CG 3.32Å; R120-D291 IonicContact NH2-OD1 3.26Å; R120-D291 PolarHBondContact NH2-OD1 3.12Å; R120-D291 IonicContact NH2-OD2 3.36Å; R120-D291 PolarHBondContact NH2-OD2 2.8Å
121	D	95.5	Very high	95.3	Very high	47 Å²	47	37.2 Å²	37.2	25%	0.251	20%	0.199	S	C	.	.	H	α-helix	trans	-60.5	-44.5	172.7	-68.5	-74.1	0	0	0	110.9	K114 Y117 T118 A124 L125	K114-D121 IonicContact NZ-OD1 2.74Å; K114-D121 PolarHBondContact NZ-OD1 3.39Å; Y117-D121 HydrophobicContact CD2-CB 3.87Å; Y117-D121 HydrophobicContact CE2-CB 3.75Å; T118-D121 PolarHBondContact N-OD2 3.15Å; T118-D121 WeakPolarHBondContact O-CB 3.13Å; T118-D121 PolarHBondContact O-N 3.19Å; T118-D121 VanDerWaalsContact O-N 3.15Å; T118-D121 PolarHBondContact OG1-N 3.21Å; T118-D121 VanDerWaalsContact OG1-N 3.08Å; T118-D121 PolarHBondContact OG1-OD2 3.44Å; D121-A124 PolarHBondContact O-N 3.46Å; D121-L125 WeakPolarHBondContact O-CB 3.44Å; D121-L125 PolarHBondContact O-N 2.94Å; D121-L125 VanDerWaalsContact O-N 3.07Å
122	A	96.7	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-48.4	176.7	0	0	0	0	0	112	Y117 T118 E119 R120 A124 L125 I126 L219 L220 W283	Y117-A122 HydrophobicContact CE1-CB 4.24Å; Y117-A122 VanDerWaalsContact OH-CA 3.32Å; Y117-A122 WeakPolarHBondContact OH-CA 3.24Å; Y117-A122 VanDerWaalsContact OH-CB 3.28Å; Y117-A122 WeakPolarHBondContact OH-CB 3.5Å; T118-A122 PolarHBondContact O-N 3.07Å; T118-A122 VanDerWaalsContact O-N 3.16Å; E119-A122 WeakPolarHBondContact O-CB 3.42Å; E119-A122 PolarHBondContact O-N 3Å; R120-A122 VanDerWaalsContact C-N 3.33Å; A122-A124 PolarHBondContact O-N 3.36Å; A122-L125 PolarHBondContact O-N 3.44Å; A122-I126 WeakPolarHBondContact O-CG1 3.21Å; A122-I126 PolarHBondContact O-N 3.08Å; A122-L219 HydrophobicContact CB-CB 4.18Å; A122-L220 HydrophobicContact CB-CD2 3.73Å; A122-W283 HydrophobicContact CB-CH2 4.25Å; A122-W283 HydrophobicContact CB-CZ2 4.37Å
123	S	97.7	Very high	95.7	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.07	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-46	177.4	172.1	0	0	0	0	111.9	E119 R120 L125 I126 R127 W283	E119-S123 WeakPolarHBondContact O-CB 3.49Å; E119-S123 PolarHBondContact O-N 3.02Å; R120-S123 PolarHBondContact O-N 3.21Å; S123-L125 VanDerWaalsContact C-N 3.28Å; S123-L125 PolarHBondContact O-N 2.81Å; S123-I126 PolarHBondContact O-N 3.38Å; S123-R127 WeakPolarHBondContact O-CB 3.33Å; S123-R127 PolarHBondContact O-N 2.89Å; S123-W283 PolarHBondContact OG-O 3.35Å
124	A	96.1	Very high	96.1	Very high	50 Å²	50	33.1 Å²	33.1	41%	0.413	18%	0.178	S	C	.	.	H	α-helix	trans	-62.9	-34.3	178.3	0	0	0	0	0	112.8	R120 D121 A122 Q128	R120-A124 WeakPolarHBondContact O-CB 3.42Å; R120-A124 PolarHBondContact O-N 3.35Å; D121-A124 PolarHBondContact O-N 3.46Å; A122-A124 PolarHBondContact O-N 3.36Å; A124-Q128 PolarHBondContact O-N 3.31Å; A124-Q128 PolarHBondContact O-NE2 3.44Å
125	L	97.2	Very high	96.4	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-71.7	-50.1	175.7	-168.4	144.6	0	0	0	111.6	L107 D121 A122 S123 R127 Q128 V129 Y153 I162 L219	L107-L125 HydrophobicContact CD1-CD1 3.28Å; L107-L125 HydrophobicContact CD1-CD2 4.02Å; L107-L125 HydrophobicContact CD1-CG 4.28Å; L107-L125 HydrophobicContact CD2-CD2 4.33Å; D121-L125 WeakPolarHBondContact O-CB 3.44Å; D121-L125 PolarHBondContact O-N 2.94Å; D121-L125 VanDerWaalsContact O-N 3.07Å; A122-L125 PolarHBondContact O-N 3.44Å; S123-L125 VanDerWaalsContact C-N 3.28Å; S123-L125 PolarHBondContact O-N 2.81Å; L125-R127 PolarHBondContact O-N 3.33Å; L125-Q128 WeakPolarHBondContact O-CB 3.26Å; L125-Q128 PolarHBondContact O-N 3.38Å; L125-V129 HydrophobicContact CD2-CG2 4.09Å; L125-V129 PolarHBondContact O-N 2.79Å; L125-V129 VanDerWaalsContact O-N 3.12Å; L125-Y153 WeakPolarHBondContact CD1-OH 3.42Å; L125-I162 HydrophobicContact CD1-CD1 4.36Å; L125-I162 HydrophobicContact CG-CB 4.4Å; L125-I162 HydrophobicContact CG-CG1 4.43Å; L125-L219 HydrophobicContact CD2-CD1 3.81Å
126	I	98.3	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-38.6	177.3	-70.4	-61.4	0	0	0	111	A122 S123 Q128 V129 L130 I212 I215 A216 L219 F260 W283 I284	A122-I126 WeakPolarHBondContact O-CG1 3.21Å; A122-I126 PolarHBondContact O-N 3.08Å; S123-I126 PolarHBondContact O-N 3.38Å; I126-Q128 VanDerWaalsContact C-N 3.31Å; I126-Q128 PolarHBondContact O-N 3.26Å; I126-V129 PolarHBondContact O-N 3.3Å; I126-L130 HydrophobicContact CG2-CD1 3.89Å; I126-L130 HydrophobicContact CG2-CG 4.16Å; I126-L130 WeakPolarHBondContact O-CB 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.46Å; I126-L130 PolarHBondContact O-N 3.43Å; I126-I212 HydrophobicContact CD1-CG2 4.31Å; I126-I212 HydrophobicContact CG2-CG2 4.11Å; I126-I215 HydrophobicContact CD1-CG2 4.08Å; I126-A216 HydrophobicContact CD1-CB 3.81Å; I126-A216 HydrophobicContact CG1-CB 3.96Å; I126-L219 HydrophobicContact CD1-CD1 3.7Å; I126-L219 HydrophobicContact CG1-CD1 3.94Å; I126-F260 HydrophobicContact CG2-CE1 3.84Å; I126-F260 HydrophobicContact CG2-CZ 3.62Å; I126-W283 HydrophobicContact CB-CZ3 4.28Å; I126-W283 HydrophobicContact CG1-CH2 4.49Å; I126-W283 HydrophobicContact CG1-CZ3 4.33Å; I126-W283 HydrophobicContact CG2-CZ3 4.33Å; I126-I284 HydrophobicContact CB-CD1 4.3Å; I126-I284 HydrophobicContact CG2-CD1 3.92Å
127	R	98.2	Very high	96.6	Very high	117 Å²	117	27 Å²	27	44%	0.442	13%	0.13	S	C	.	.	H	α-helix	trans	-56.5	-43.2	174	-173	176	175	-79.4	-4.4	112.4	S123 L125 L130 L131 L279 I284	S123-R127 WeakPolarHBondContact O-CB 3.33Å; S123-R127 PolarHBondContact O-N 2.89Å; L125-R127 PolarHBondContact O-N 3.33Å; R127-L130 PolarHBondContact O-N 3.09Å; R127-L131 HydrophobicContact CG-CD1 4.39Å; R127-L131 VanDerWaalsContact O-CG 3.3Å; R127-L131 WeakPolarHBondContact O-CG 3.08Å; R127-L131 PolarHBondContact O-N 3.45Å; R127-L279 HydrophobicContact CG-CD2 4.12Å; R127-I284 HydrophobicContact CB-CG2 3.88Å; R127-I284 HydrophobicContact CG-CG2 3.71Å
128	Q	98.1	Very high	96.5	Very high	46 Å²	46	29.7 Å²	29.7	22%	0.215	15%	0.149	C	C	.	.	H	α-helix	trans	-67	-39.7	177.6	-71.4	174.4	73.3	0	0	112.1	N81 A124 L125 I126 L131 A132 I162	N81-Q128 PolarHBondContact ND2-OE1 2.75Å; A124-Q128 PolarHBondContact O-N 3.31Å; A124-Q128 PolarHBondContact O-NE2 3.44Å; L125-Q128 WeakPolarHBondContact O-CB 3.26Å; L125-Q128 PolarHBondContact O-N 3.38Å; I126-Q128 VanDerWaalsContact C-N 3.31Å; I126-Q128 PolarHBondContact O-N 3.26Å; Q128-L131 PolarHBondContact O-N 2.86Å; Q128-A132 PolarHBondContact O-N 2.98Å; Q128-I162 HydrophobicContact CB-CG2 3.4Å; Q128-I162 VanDerWaalsContact CB-CG2 3.4Å; Q128-I162 HydrophobicContact CG-CG2 4.31Å; Q128-I162 VanDerWaalsContact OE1-N 3.13Å
129	V	98.4	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-42.5	175.4	-179.6	0	0	0	0	110.9	L125 I126 A132 T133 L151 I162 I212	L125-V129 HydrophobicContact CD2-CG2 4.09Å; L125-V129 PolarHBondContact O-N 2.79Å; L125-V129 VanDerWaalsContact O-N 3.12Å; I126-V129 PolarHBondContact O-N 3.3Å; V129-A132 PolarHBondContact O-N 2.92Å; V129-T133 VanDerWaalsContact O-CB 3.32Å; V129-T133 WeakPolarHBondContact O-CB 3.49Å; V129-T133 PolarHBondContact O-N 2.73Å; V129-T133 PolarHBondContact O-OG1 3.4Å; V129-L151 HydrophobicContact CG1-CD2 4.38Å; V129-L151 HydrophobicContact CG2-CD1 3.99Å; V129-L151 HydrophobicContact CG2-CD2 3.98Å; V129-I162 HydrophobicContact CG2-CG2 4.15Å; V129-I212 HydrophobicContact CG1-CD1 4.06Å; V129-I212 HydrophobicContact CG1-CG1 3.89Å
130	L	98.5	Very high	95.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-44.1	175.3	-77.6	171.1	0	0	0	112.1	I126 R127 T133 E134 I212 F260 C275 A278 L279 I284	I126-L130 HydrophobicContact CG2-CD1 3.89Å; I126-L130 HydrophobicContact CG2-CG 4.16Å; I126-L130 WeakPolarHBondContact O-CB 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.46Å; I126-L130 PolarHBondContact O-N 3.43Å; R127-L130 PolarHBondContact O-N 3.09Å; L130-T133 PolarHBondContact O-N 3.38Å; L130-E134 VanDerWaalsContact O-CB 3.25Å; L130-E134 WeakPolarHBondContact O-CB 3.37Å; L130-E134 PolarHBondContact O-N 3.4Å; L130-I212 HydrophobicContact CD2-CD1 3.97Å; L130-I212 HydrophobicContact CD2-CG2 4.12Å; L130-I212 HydrophobicContact CG-CG2 4.33Å; L130-F260 HydrophobicContact CD1-CE2 4.24Å; L130-F260 HydrophobicContact CD1-CZ 4.04Å; L130-C275 HydrophobicContact CD2-CB 4.14Å; L130-A278 HydrophobicContact CD1-CB 3.89Å; L130-A278 HydrophobicContact CD2-CB 3.69Å; L130-A278 HydrophobicContact CG-CB 4.48Å; L130-L279 HydrophobicContact CB-CD1 4.49Å; L130-L279 HydrophobicContact CB-CD2 3.64Å; L130-L279 HydrophobicContact CB-CG 3.87Å; L130-L279 HydrophobicContact CD1-CD2 4.21Å; L130-L279 HydrophobicContact CD1-CG 4.33Å; L130-I284 HydrophobicContact CD1-CD1 4.41Å; L130-I284 HydrophobicContact CD1-CG1 4.22Å
131	L	98.2	Very high	95.3	Very high	47 Å²	47	32.1 Å²	32.1	25%	0.246	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-44.7	176.6	-73.6	168.7	0	0	0	111.9	R127 Q128 T133 Y135 L279	R127-L131 HydrophobicContact CG-CD1 4.39Å; R127-L131 VanDerWaalsContact O-CG 3.3Å; R127-L131 WeakPolarHBondContact O-CG 3.08Å; R127-L131 PolarHBondContact O-N 3.45Å; Q128-L131 PolarHBondContact O-N 2.86Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.05Å; L131-Y135 WeakPolarHBondContact O-CB 3.43Å; L131-Y135 PolarHBondContact O-N 2.85Å; L131-L279 HydrophobicContact CD2-CD1 4.01Å; L131-L279 HydrophobicContact CD2-CD2 4.03Å; L131-L279 HydrophobicContact CG-CD2 3.96Å
132	A	97.5	Very high	94.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-44.8	175	0	0	0	0	0	111.9	N81 I82 Q128 V129 Y135 M136 V164	N81-A132 HydrophobicContact CB-CB 4.02Å; I82-A132 HydrophobicContact CD1-CB 4.32Å; I82-A132 HydrophobicContact CG1-CB 3.72Å; Q128-A132 PolarHBondContact O-N 2.98Å; V129-A132 PolarHBondContact O-N 2.92Å; A132-Y135 PolarHBondContact O-N 3.47Å; A132-M136 WeakPolarHBondContact O-CG 3.23Å; A132-M136 PolarHBondContact O-N 2.76Å; A132-V164 HydrophobicContact CB-CB 4.46Å; A132-V164 HydrophobicContact CB-CG2 3.69Å
133	T	96.7	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.9	-42.4	-176.1	-53.9	0	0	0	0	111.9	V129 L130 L131 Y135 M136 H137 L146 D208 I212 C275	V129-T133 VanDerWaalsContact O-CB 3.32Å; V129-T133 WeakPolarHBondContact O-CB 3.49Å; V129-T133 PolarHBondContact O-N 2.73Å; V129-T133 PolarHBondContact O-OG1 3.4Å; L130-T133 PolarHBondContact O-N 3.38Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.05Å; T133-Y135 VanDerWaalsContact C-N 3.31Å; T133-Y135 PolarHBondContact O-N 3.36Å; T133-M136 HydrophobicContact CG2-CE 4.4Å; T133-M136 PolarHBondContact O-N 3.45Å; T133-H137 VanDerWaalsContact CG2-CE1 3.49Å; T133-H137 WeakPolarHBondContact CG2-CE1 3.47Å; T133-H137 WeakPolarHBondContact CG2-NE2 3.47Å; T133-H137 WeakPolarHBondContact O-CB 3.29Å; T133-H137 PolarHBondContact O-CD2 3.49Å; T133-H137 PolarHBondContact O-N 3.24Å; T133-L146 HydrophobicContact CG2-CD1 4.28Å; T133-D208 HydrophobicContact CG2-CB 3.73Å; T133-I212 HydrophobicContact CG2-CD1 4.02Å; T133-C275 VanDerWaalsContact CG2-SG 3.58Å
134	E	97.1	Very high	94	Very high	64 Å²	64	34.3 Å²	34.3	30%	0.299	18%	0.184	S	C	.	.	H	α-helix	trans	-57.5	-46.3	172.2	-170.5	-76	140.7	0	0	110.6	L130 M136 H137 S138 C275 V276 L279	L130-E134 VanDerWaalsContact O-CB 3.25Å; L130-E134 WeakPolarHBondContact O-CB 3.37Å; L130-E134 PolarHBondContact O-N 3.4Å; E134-M136 PolarHBondContact O-N 2.91Å; E134-H137 WeakPolarHBondContact O-CB 3.14Å; E134-H137 PolarHBondContact O-N 3.06Å; E134-S138 WeakPolarHBondContact O-CB 3.35Å; E134-S138 PolarHBondContact O-N 2.86Å; E134-C275 HydrophobicContact CB-CB 3.67Å; E134-C275 HydrophobicContact CG-CB 4.21Å; E134-V276 HydrophobicContact CG-CG2 3.87Å; E134-L279 HydrophobicContact CB-CD1 4.28Å; E134-L279 HydrophobicContact CG-CD1 4.41Å
135	Y	96.2	Very high	93.5	Very high	49 Å²	49	33.2 Å²	33.2	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-47.1	176.6	176.7	-99.3	0	0	0	111.6	L77 R78 H79 I82 L131 A132 T133 H137 S138 Q139	L77-Y135 HydrophobicContact CB-CE1 4.1Å; L77-Y135 HydrophobicContact CD2-CD1 4.41Å; L77-Y135 HydrophobicContact CD2-CE1 3.76Å; R78-Y135 PolarHBondContact N-OH 3.23Å; R78-Y135 VanDerWaalsContact N-OH 3.13Å; R78-Y135 PolarHBondContact O-OH 3.49Å; H79-Y135 HydrophobicContact CB-CD1 3.69Å; H79-Y135 HydrophobicContact CB-CE1 3.96Å; H79-Y135 HydrophobicContact CB-CG 4.16Å; H79-Y135 AromaticContact CD2-CG 3.85Å; I82-Y135 HydrophobicContact CD1-CD1 3.67Å; I82-Y135 HydrophobicContact CD1-CE1 4.32Å; L131-Y135 WeakPolarHBondContact O-CB 3.43Å; L131-Y135 PolarHBondContact O-N 2.85Å; A132-Y135 PolarHBondContact O-N 3.47Å; T133-Y135 VanDerWaalsContact C-N 3.31Å; T133-Y135 PolarHBondContact O-N 3.36Å; Y135-H137 VanDerWaalsContact C-N 3.33Å; Y135-H137 PolarHBondContact O-N 3.02Å; Y135-S138 WeakPolarHBondContact O-CB 3.5Å; Y135-S138 PolarHBondContact O-N 2.86Å; Y135-S138 PolarHBondContact O-OG 3.09Å; Y135-Q139 HydrophobicContact CE1-CG 4.21Å; Y135-Q139 HydrophobicContact CE2-CG 4.21Å; Y135-Q139 WeakPolarHBondContact O-CG 3.47Å; Y135-Q139 PolarHBondContact O-N 3.4Å; Y135-Q139 VanDerWaalsContact O-N 3.15Å
136	M	93.5	Very high	93.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-48.2	174.7	-71	-174.1	-69.5	0	0	111.4	L77 I82 A132 T133 E134 S138 Q139 G140 V141 H143 V164 F167	L77-M136 HydrophobicContact CD1-CG 4.29Å; I82-M136 HydrophobicContact CD1-CG 3.55Å; I82-M136 HydrophobicContact CD1-SD 4.22Å; A132-M136 WeakPolarHBondContact O-CG 3.23Å; A132-M136 PolarHBondContact O-N 2.76Å; T133-M136 HydrophobicContact CG2-CE 4.4Å; T133-M136 PolarHBondContact O-N 3.45Å; E134-M136 PolarHBondContact O-N 2.91Å; M136-S138 VanDerWaalsContact C-N 3.29Å; M136-S138 PolarHBondContact O-N 2.98Å; M136-Q139 CarbonylContact O-C 3.59Å; M136-Q139 WeakPolarHBondContact O-CA 3.48Å; M136-Q139 PolarHBondContact O-N 3.23Å; M136-G140 PolarHBondContact O-N 3.45Å; M136-V141 CarbonylContact C-O 3.59Å; M136-V141 HydrophobicContact CB-CB 4.17Å; M136-V141 HydrophobicContact CB-CG1 4.41Å; M136-V141 PolarHBondContact O-N 2.6Å; M136-V141 VanDerWaalsContact O-O 3.06Å; M136-H143 HydrophobicContact CE-CB 4.09Å; M136-V164 HydrophobicContact CE-CG1 4.19Å; M136-F167 HydrophobicContact SD-CB 3.54Å; M136-F167 VanDerWaalsContact SD-CB 3.54Å; M136-F167 HydrophobicContact SD-CD2 4.36Å; M136-F167 HydrophobicContact SD-CG 4.02Å
137	H	92.3	Very high	92.8	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.06	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-38.8	179.2	-71.5	-177.8	0	0	0	112	T133 E134 Y135 Q139 G140 V141 K205 D208	T133-H137 VanDerWaalsContact CG2-CE1 3.49Å; T133-H137 WeakPolarHBondContact CG2-CE1 3.47Å; T133-H137 WeakPolarHBondContact CG2-NE2 3.47Å; T133-H137 WeakPolarHBondContact O-CB 3.29Å; T133-H137 PolarHBondContact O-CD2 3.49Å; T133-H137 PolarHBondContact O-N 3.24Å; E134-H137 WeakPolarHBondContact O-CB 3.14Å; E134-H137 PolarHBondContact O-N 3.06Å; Y135-H137 VanDerWaalsContact C-N 3.33Å; Y135-H137 PolarHBondContact O-N 3.02Å; H137-Q139 PolarHBondContact O-N 3Å; H137-G140 PolarHBondContact O-N 2.91Å; H137-G140 VanDerWaalsContact O-N 3.12Å; H137-V141 WeakPolarHBondContact CA-O 3.49Å; H137-V141 PolarHBondContact CD2-O 3.11Å; H137-V141 PolarHBondContact N-O 3.28Å; H137-K205 HydrophobicContact CB-CD 3.81Å; H137-K205 HydrophobicContact CB-CG 4.09Å; H137-K205 PolarHBondContact CE1-O 2.84Å; H137-K205 WeakPolarHBondContact O-CE 3.49Å; H137-K205 PolarHBondContact O-NZ 2.64Å; H137-D208 IonicContact CD2-OD2 3.11Å; H137-D208 IonicContact CE1-OD2 3.27Å; H137-D208 IonicContact NE2-OD2 2.85Å; H137-D208 PolarHBondContact NE2-OD2 2.98Å
138	S	92.7	Very high	92.4	Very high	61 Å²	61	29.2 Å²	29.2	43%	0.427	16%	0.157	S	C	.	.	H	α-helix	trans	-63.3	-30.9	176	85.2	0	0	0	0	112.1	E134 Y135 M136 G140	E134-S138 WeakPolarHBondContact O-CB 3.35Å; E134-S138 PolarHBondContact O-N 2.86Å; Y135-S138 WeakPolarHBondContact O-CB 3.5Å; Y135-S138 PolarHBondContact O-N 2.86Å; Y135-S138 PolarHBondContact O-OG 3.09Å; M136-S138 VanDerWaalsContact C-N 3.29Å; M136-S138 PolarHBondContact O-N 2.98Å; S138-G140 VanDerWaalsContact C-N 3.31Å
139	Q	90	Very high	91.9	Very high	95 Å²	95	30 Å²	30	44%	0.444	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.3	177.2	-58.3	-55.2	-65.9	0	0	113	L77 Y135 M136 H137 V141	L77-Q139 HydrophobicContact CD2-CB 3.57Å; L77-Q139 HydrophobicContact CD2-CG 3.57Å; Y135-Q139 HydrophobicContact CE1-CG 4.21Å; Y135-Q139 HydrophobicContact CE2-CG 4.21Å; Y135-Q139 WeakPolarHBondContact O-CG 3.47Å; Y135-Q139 PolarHBondContact O-N 3.4Å; Y135-Q139 VanDerWaalsContact O-N 3.15Å; M136-Q139 CarbonylContact O-C 3.59Å; M136-Q139 WeakPolarHBondContact O-CA 3.48Å; M136-Q139 PolarHBondContact O-N 3.23Å; H137-Q139 PolarHBondContact O-N 3Å; Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 PolarHBondContact O-N 3.18Å
140	G	85.4	Confident	91.6	Very high	58 Å²	58	30.5 Å²	30.5	60%	0.598	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	13.4	-179.2	0	0	0	0	0	114.4	M136 H137 S138	M136-G140 PolarHBondContact O-N 3.45Å; H137-G140 PolarHBondContact O-N 2.91Å; H137-G140 VanDerWaalsContact O-N 3.12Å; S138-G140 VanDerWaalsContact C-N 3.31Å
141	V	86.3	Confident	91.5	Very high	11 Å²	11	30.5 Å²	30.5	7%	0.067	16%	0.164	C	C	.	.			trans	-97.3	136.3	175.9	180	0	0	0	0	109.5	V73 L74 L77 M136 H137 Q139	V73-V141 HydrophobicContact CG1-CG2 3.4Å; L74-V141 HydrophobicContact CD2-CG1 4.1Å; L77-V141 HydrophobicContact CD1-CB 4.43Å; L77-V141 HydrophobicContact CD1-CG1 4.39Å; L77-V141 HydrophobicContact CD1-CG2 4.15Å; M136-V141 CarbonylContact C-O 3.59Å; M136-V141 HydrophobicContact CB-CB 4.17Å; M136-V141 HydrophobicContact CB-CG1 4.41Å; M136-V141 PolarHBondContact O-N 2.6Å; M136-V141 VanDerWaalsContact O-O 3.06Å; H137-V141 WeakPolarHBondContact CA-O 3.49Å; H137-V141 PolarHBondContact CD2-O 3.11Å; H137-V141 PolarHBondContact N-O 3.28Å; Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 PolarHBondContact O-N 3.18Å
142	V	87.4	Confident	91.3	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.115	16%	0.16	C	C	.	.			trans	-115.8	135.4	170.7	-179.9	0	0	0	0	106.9	R144 G204 K205 V207 D208	V142-R144 HydrophobicContact CB-CG 4.06Å; V142-R144 HydrophobicContact CG1-CG 3.48Å; V142-R144 VanDerWaalsContact CG1-CG 3.48Å; V142-G204 WeakPolarHBondContact CG1-O 3.33Å; V142-G204 VanDerWaalsContact CG2-O 3.28Å; V142-G204 WeakPolarHBondContact CG2-O 3.47Å; V142-K205 HydrophobicContact CG2-CG 4.07Å; V142-V207 HydrophobicContact CG1-CG2 3.96Å; V142-D208 VanDerWaalsContact CG1-OD2 3.29Å; V142-D208 WeakPolarHBondContact CG1-OD2 3.34Å
143	H	89	Confident	91.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.165	C	C	.	.			trans	-71.6	-48.9	-178.9	-170.6	-65	0	0	0	112.2	M136 D145 L146 V164 S165 F167 D208	M136-H143 HydrophobicContact CE-CB 4.09Å; H143-D145 PolarHBondContact CE1-O 3.46Å; H143-D145 PolarHBondContact ND1-N 2.95Å; H143-D145 PolarHBondContact ND1-O 3.42Å; H143-D145 PolarHBondContact O-N 2.9Å; H143-L146 HydrophobicContact CB-CD1 4.36Å; H143-L146 HydrophobicContact CB-CD2 4.31Å; H143-L146 HydrophobicContact CB-CG 3.82Å; H143-L146 PolarHBondContact ND1-N 2.95Å; H143-L146 VanDerWaalsContact ND1-N 3.18Å; H143-V164 VanDerWaalsContact CD2-CG1 3.46Å; H143-V164 WeakPolarHBondContact CD2-CG1 3.4Å; H143-S165 PolarHBondContact NE2-O 3.25Å; H143-F167 VanDerWaalsContact CD2-CA 3.47Å; H143-F167 WeakPolarHBondContact CD2-CA 3.04Å; H143-F167 VanDerWaalsContact CD2-CB 3.41Å; H143-F167 WeakPolarHBondContact CD2-CB 3.49Å; H143-F167 WeakPolarHBondContact NE2-CA 3.23Å; H143-D208 WeakPolarHBondContact CB-OD1 3.24Å; H143-D208 PolarHBondContact N-OD1 3.17Å; H143-D208 PolarHBondContact N-OD2 3.31Å
144	R	86.5	Confident	91.3	Very high	82 Å²	82	34.5 Å²	34.5	31%	0.309	18%	0.18	S	C	.	.	S	Bend	trans	69.3	-24.4	178.7	-54.3	175.5	175.2	175.7	-8.4	116.8	V142 K171 D208	V142-R144 HydrophobicContact CB-CG 4.06Å; V142-R144 HydrophobicContact CG1-CG 3.48Å; V142-R144 VanDerWaalsContact CG1-CG 3.48Å; R144-K171 VanDerWaalsContact NH1-CE 3.3Å; R144-K171 VanDerWaalsContact NH1-CG 3.27Å; R144-D208 PolarHBondContact N-OD1 3.02Å
145	D	85.4	Confident	91.2	Very high	27 Å²	27	32.8 Å²	32.8	14%	0.144	18%	0.175	C	C	.	.			trans	-120.9	40.8	178.3	-170.7	49.2	0	0	0	111.5	H143 K147 N150 T181	H143-D145 PolarHBondContact CE1-O 3.46Å; H143-D145 PolarHBondContact ND1-N 2.95Å; H143-D145 PolarHBondContact ND1-O 3.42Å; H143-D145 PolarHBondContact O-N 2.9Å; D145-K147 PolarHBondContact O-N 3.48Å; D145-K147 IonicContact OD1-NZ 3.84Å; D145-K147 PolarHBondContact OD1-NZ 2.72Å; D145-K147 VanDerWaalsContact OD2-CE 3.29Å; D145-K147 WeakPolarHBondContact OD2-CE 3.48Å; D145-K147 IonicContact OD2-NZ 3.65Å; D145-K147 PolarHBondContact OD2-NZ 3.06Å; D145-N150 PolarHBondContact O-ND2 3.22Å; D145-N150 PolarHBondContact OD2-ND2 2.99Å; D145-T181 WeakPolarHBondContact OD1-CG2 3.49Å; D145-T181 PolarHBondContact OD1-OG1 3.43Å; D145-T181 VanDerWaalsContact OD1-OG1 3.12Å
146	L	91.5	Very high	91.1	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	19%	0.194	C	C	.	.			trans	-68.8	122.9	176	-83.7	177.3	0	0	0	109.5	T133 H143 V164 D208 A211 I212 I215	T133-L146 HydrophobicContact CG2-CD1 4.28Å; H143-L146 HydrophobicContact CB-CD1 4.36Å; H143-L146 HydrophobicContact CB-CD2 4.31Å; H143-L146 HydrophobicContact CB-CG 3.82Å; H143-L146 PolarHBondContact ND1-N 2.95Å; H143-L146 VanDerWaalsContact ND1-N 3.18Å; L146-V164 HydrophobicContact CD2-CG1 3.89Å; L146-D208 HydrophobicContact CD1-CB 3.8Å; L146-A211 HydrophobicContact CB-CB 3.69Å; L146-A211 WeakPolarHBondContact O-CB 3.42Å; L146-I212 HydrophobicContact CD1-CD1 4.08Å; L146-I212 HydrophobicContact CD1-CG1 3.87Å; L146-I215 HydrophobicContact CB-CD1 4.48Å
147	K	90	Very high	91.1	Very high	35 Å²	35	36.7 Å²	36.7	15%	0.152	21%	0.21	C	C	.	.			trans	-157.8	161.4	178.4	59.9	-173.4	176.4	-143.2	0	110	D145 E149 N150 Y188	D145-K147 PolarHBondContact O-N 3.48Å; D145-K147 IonicContact OD1-NZ 3.84Å; D145-K147 PolarHBondContact OD1-NZ 2.72Å; D145-K147 VanDerWaalsContact OD2-CE 3.29Å; D145-K147 WeakPolarHBondContact OD2-CE 3.48Å; D145-K147 IonicContact OD2-NZ 3.65Å; D145-K147 PolarHBondContact OD2-NZ 3.06Å; K147-E149 WeakPolarHBondContact CB-OE2 3.36Å; K147-E149 WeakPolarHBondContact CD-OE2 3.37Å; K147-E149 HydrophobicContact CG-CB 4.31Å; K147-E149 WeakPolarHBondContact CG-OE2 3.46Å; K147-E149 PolarHBondContact O-N 3.07Å; K147-E149 VanDerWaalsContact O-N 3.14Å; K147-N150 HydrophobicContact CG-CB 4.33Å; K147-N150 PolarHBondContact O-N 2.93Å; K147-Y188 HydrophobicContact CB-CD2 4.21Å; K147-Y188 HydrophobicContact CB-CE2 4.45Å; K147-Y188 HydrophobicContact CB-CG 4.27Å
148	P	90.5	Very high	90.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.013	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-55.7	-31	-177.3	-28.8	37.5	0	0	0	114.6	L107 F108 N150 L151 Y188 I215	L107-P148 HydrophobicContact CD2-CB 4.36Å; F108-P148 HydrophobicContact CD2-CB 3.86Å; F108-P148 HydrophobicContact CD2-CG 4.38Å; F108-P148 HydrophobicContact CE1-CB 4.12Å; F108-P148 HydrophobicContact CE1-CG 4.2Å; F108-P148 HydrophobicContact CE2-CB 3.39Å; F108-P148 HydrophobicContact CE2-CG 3.43Å; F108-P148 VanDerWaalsContact CE2-CG 3.43Å; F108-P148 HydrophobicContact CG-CB 4.41Å; F108-P148 HydrophobicContact CZ-CB 3.52Å; F108-P148 HydrophobicContact CZ-CG 3.3Å; P148-N150 PolarHBondContact O-N 3.15Å; P148-L151 PolarHBondContact O-N 2.78Å; P148-Y188 VanDerWaalsContact CD-CE1 3.42Å; P148-Y188 WeakPolarHBondContact CD-OH 3.49Å; P148-Y188 HydrophobicContact CG-CE1 3.95Å; P148-Y188 WeakPolarHBondContact CG-OH 3.45Å; P148-I215 HydrophobicContact CG-CG1 4.31Å
149	E	86.8	Confident	90.8	Very high	62 Å²	62	46.4 Å²	46.4	29%	0.29	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27	177	-60.4	83.4	176	0	0	112.8	K147 L151	K147-E149 WeakPolarHBondContact CB-OE2 3.36Å; K147-E149 WeakPolarHBondContact CD-OE2 3.37Å; K147-E149 HydrophobicContact CG-CB 4.31Å; K147-E149 WeakPolarHBondContact CG-OE2 3.46Å; K147-E149 PolarHBondContact O-N 3.07Å; K147-E149 VanDerWaalsContact O-N 3.14Å; E149-L151 VanDerWaalsContact C-N 3.31Å
150	N	92.2	Very high	91.1	Very high	11 Å²	11	42.5 Å²	42.5	6%	0.059	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-92.7	9.5	178.6	-66	-11.9	0	0	0	112.1	D145 K147 P148 S165	D145-N150 PolarHBondContact O-ND2 3.22Å; D145-N150 PolarHBondContact OD2-ND2 2.99Å; K147-N150 HydrophobicContact CG-CB 4.33Å; K147-N150 PolarHBondContact O-N 2.93Å; P148-N150 PolarHBondContact O-N 3.15Å; N150-S165 WeakPolarHBondContact CA-OG 3.28Å; N150-S165 PolarHBondContact O-N 2.85Å; N150-S165 PolarHBondContact O-OG 3.46Å
151	L	95.6	Very high	91.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	104.6	176.1	-62.4	-176	0	0	0	109.6	L107 V129 P148 E149 I162 V164 I215	L107-L151 HydrophobicContact CB-CB 4.12Å; L107-L151 WeakPolarHBondContact CB-O 3.12Å; L107-L151 HydrophobicContact CD2-CB 4.04Å; L107-L151 HydrophobicContact CD2-CD1 3.65Å; L107-L151 HydrophobicContact CD2-CG 4.48Å; L107-L151 PolarHBondContact N-O 2.88Å; V129-L151 HydrophobicContact CG1-CD2 4.38Å; V129-L151 HydrophobicContact CG2-CD1 3.99Å; V129-L151 HydrophobicContact CG2-CD2 3.98Å; P148-L151 PolarHBondContact O-N 2.78Å; E149-L151 VanDerWaalsContact C-N 3.31Å; L151-I162 HydrophobicContact CB-CD1 4.05Å; L151-I162 HydrophobicContact CB-CG1 4.12Å; L151-V164 HydrophobicContact CD2-CG2 3.87Å; L151-I215 HydrophobicContact CD1-CD1 4.04Å; L151-I215 HydrophobicContact CD1-CG2 4.04Å
152	L	95.3	Very high	92.2	Very high	32 Å²	32	42.4 Å²	42.4	17%	0.168	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.6	-172.5	-55.6	-179.8	0	0	0	110.7	V102 G105 E106 I162 M163	V102-L152 HydrophobicContact CG2-CB 3.83Å; V102-L152 HydrophobicContact CG2-CD1 3.46Å; V102-L152 VanDerWaalsContact CG2-CD1 3.46Å; V102-L152 HydrophobicContact CG2-CG 4.29Å; G105-L152 CarbonylContact O-C 3.58Å; G105-L152 WeakPolarHBondContact O-CA 3.18Å; E106-L152 HydrophobicContact CB-CD2 4.27Å; E106-L152 HydrophobicContact CG-CD2 3.59Å; L152-I162 CarbonylContact O-C 3.57Å; L152-M163 PolarHBondContact N-O 3.42Å; L152-M163 WeakPolarHBondContact O-CA 3.39Å; L152-M163 WeakPolarHBondContact O-CB 3.19Å; L152-M163 PolarHBondContact O-N 3.14Å
153	Y	96.9	Very high	92.6	Very high	27 Å²	27	41.6 Å²	41.6	11%	0.106	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.9	169	-77	-90.6	0	0	0	109.9	G104 G105 L107 R110 L125 S155 S160 I162	G104-Y153 WeakPolarHBondContact CA-O 3.29Å; G104-Y153 PolarHBondContact N-O 3.13Å; G105-Y153 PolarHBondContact O-N 2.83Å; L107-Y153 HydrophobicContact CD1-CE2 4.14Å; R110-Y153 HydrophobicContact CB-CD2 3.57Å; R110-Y153 HydrophobicContact CB-CE2 3.35Å; R110-Y153 HydrophobicContact CB-CG 4.45Å; R110-Y153 HydrophobicContact CG-CD2 3.43Å; R110-Y153 VanDerWaalsContact CG-CD2 3.43Å; R110-Y153 HydrophobicContact CG-CE2 3.81Å; R110-Y153 HydrophobicContact CG-CG 4.06Å; L125-Y153 WeakPolarHBondContact CD1-OH 3.42Å; Y153-S155 VanDerWaalsContact C-N 3.3Å; Y153-S155 PolarHBondContact O-N 2.79Å; Y153-S160 VanDerWaalsContact CD1-O 3.28Å; Y153-S160 WeakPolarHBondContact CD1-O 3.42Å; Y153-S160 WeakPolarHBondContact CE1-O 3.3Å; Y153-I162 HydrophobicContact CD2-CD1 4.08Å; Y153-I162 HydrophobicContact CE2-CD1 4.1Å; Y153-I162 HydrophobicContact CG-CD1 4.38Å
154	F	96.7	Very high	93	Very high	72 Å²	72	41.5 Å²	41.5	32%	0.316	22%	0.218	S	C	.	.	S	Bend	trans	-60.6	-39.6	-177.2	177.4	-105.6	0	0	0	112.6	E100 V102 T103 S160 K161 M163	E100-F154 WeakPolarHBondContact OE1-CE2 3.26Å; V102-F154 HydrophobicContact CG1-CD2 4.2Å; T103-F154 PolarHBondContact N-O 2.98Å; F154-S160 PolarHBondContact N-OG 2.88Å; F154-K161 HydrophobicContact CB-CG 3.76Å; F154-K161 HydrophobicContact CG-CG 4.4Å; F154-K161 PolarHBondContact N-O 2.65Å; F154-M163 HydrophobicContact CB-CG 3.82Å; F154-M163 HydrophobicContact CB-SD 4.22Å; F154-M163 HydrophobicContact CD2-CE 4.27Å; F154-M163 HydrophobicContact CD2-CG 4.29Å; F154-M163 HydrophobicContact CD2-SD 4.17Å
155	S	95.5	Very high	93.2	Very high	29 Å²	29	38 Å²	38	20%	0.203	21%	0.205	C	C	.	.	S	Bend	trans	-149	163.2	-172.9	67.4	0	0	0	0	110.9	G104 Y153 A157 S160	G104-S155 WeakPolarHBondContact CA-O 3.11Å; Y153-S155 VanDerWaalsContact C-N 3.3Å; Y153-S155 PolarHBondContact O-N 2.79Å; S155-A157 PolarHBondContact O-N 3.4Å; S155-S160 PolarHBondContact N-OG 3.43Å; S155-S160 WeakPolarHBondContact O-CB 3.41Å; S155-S160 PolarHBondContact O-OG 2.67Å; S155-S160 PolarHBondContact OG-OG 3.5Å
156	P	93.6	Very high	93.1	Very high	89 Å²	89	38.6 Å²	38.6	58%	0.578	21%	0.209	S	C	*	.	S	Bend	trans	-71.8	-3.2	178.2	28.4	-36.5	0	0	0	114.4	R110	R110-P156 PolarHBondContact NH2-O 3.34Å; R110-P156 VanDerWaalsContact NH2-O 3.15Å
157	A	94.2	Very high	92.3	Very high	42 Å²	42	39 Å²	39	35%	0.347	21%	0.21	S	C	.	.	S	Bend	trans	-62.6	149	178.5	0	0	0	0	0	111.8	R110 S155 D159 S160	R110-A157 PolarHBondContact NH2-O 3.09Å; S155-A157 PolarHBondContact O-N 3.4Å; A157-D159 VanDerWaalsContact C-N 3.29Å; A157-D159 WeakPolarHBondContact CB-OD1 3.45Å; A157-D159 PolarHBondContact O-N 2.78Å; A157-S160 WeakPolarHBondContact O-CB 3.29Å; A157-S160 PolarHBondContact O-N 2.86Å
158	D	88.3	Confident	91	Very high	131 Å²	131	37.4 Å²	37.4	70%	0.701	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-29	-175.1	-68.9	-20.4	0	0	0	113.4	R110 S160	R110-D158 IonicContact NH2-OD1 2.78Å; D158-S160 VanDerWaalsContact C-N 3.33Å
159	D	90.1	Very high	89.6	Confident	146 Å²	146	37.8 Å²	37.8	78%	0.781	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	14.5	177.7	67	-24.5	0	0	0	113.2	A157 K161	A157-D159 VanDerWaalsContact C-N 3.29Å; A157-D159 WeakPolarHBondContact CB-OD1 3.45Å; A157-D159 PolarHBondContact O-N 2.78Å; D159-K161 PolarHBondContact O-N 2.99Å
160	S	95.5	Very high	88.3	Confident	13 Å²	13	35.5 Å²	35.5	9%	0.091	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-62.6	137.6	-175	-161.2	0	0	0	0	112.5	Y153 F154 S155 A157 D158	Y153-S160 VanDerWaalsContact CD1-O 3.28Å; Y153-S160 WeakPolarHBondContact CD1-O 3.42Å; Y153-S160 WeakPolarHBondContact CE1-O 3.3Å; F154-S160 PolarHBondContact N-OG 2.88Å; S155-S160 PolarHBondContact N-OG 3.43Å; S155-S160 WeakPolarHBondContact O-CB 3.41Å; S155-S160 PolarHBondContact O-OG 2.67Å; S155-S160 PolarHBondContact OG-OG 3.5Å; A157-S160 WeakPolarHBondContact O-CB 3.29Å; A157-S160 PolarHBondContact O-N 2.86Å; D158-S160 VanDerWaalsContact C-N 3.33Å
161	K	96.7	Very high	86.5	Confident	67 Å²	67	39.5 Å²	39.5	29%	0.291	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-73	153.4	175.9	61.9	177.6	179.3	163.7	0	111.7	P80 F154 D159 M163	P80-K161 WeakPolarHBondContact O-CD 3.27Å; P80-K161 WeakPolarHBondContact O-CE 3.28Å; P80-K161 PolarHBondContact O-NZ 3.45Å; F154-K161 HydrophobicContact CB-CG 3.76Å; F154-K161 HydrophobicContact CG-CG 4.4Å; F154-K161 PolarHBondContact N-O 2.65Å; D159-K161 PolarHBondContact O-N 2.99Å; K161-M163 HydrophobicContact CD-SD 3.97Å; K161-M163 VanDerWaalsContact CE-SD 3.51Å; K161-M163 HydrophobicContact CG-SD 4.11Å
162	I	97.7	Very high	84.5	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	144.6	171.7	-159	68.4	0	0	0	110.4	N81 L107 L125 Q128 V129 L151 L152 Y153	N81-I162 WeakPolarHBondContact CB-O 3.45Å; N81-I162 PolarHBondContact ND2-O 3.46Å; L107-I162 HydrophobicContact CD1-CD1 4.3Å; L125-I162 HydrophobicContact CD1-CD1 4.36Å; L125-I162 HydrophobicContact CG-CB 4.4Å; L125-I162 HydrophobicContact CG-CG1 4.43Å; Q128-I162 HydrophobicContact CB-CG2 3.4Å; Q128-I162 VanDerWaalsContact CB-CG2 3.4Å; Q128-I162 HydrophobicContact CG-CG2 4.31Å; Q128-I162 VanDerWaalsContact OE1-N 3.13Å; V129-I162 HydrophobicContact CG2-CG2 4.15Å; L151-I162 HydrophobicContact CB-CD1 4.05Å; L151-I162 HydrophobicContact CB-CG1 4.12Å; L152-I162 CarbonylContact O-C 3.57Å; Y153-I162 HydrophobicContact CD2-CD1 4.08Å; Y153-I162 HydrophobicContact CE2-CD1 4.1Å; Y153-I162 HydrophobicContact CG-CD1 4.38Å
163	M	97.4	Very high	82.4	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.3	-179.2	-56.9	-66.7	-68.6	0	0	108.3	V83 E100 V102 L152 F154 K161	V83-M163 HydrophobicContact CG2-CB 3.84Å; V83-M163 HydrophobicContact CG2-CE 4.48Å; E100-M163 WeakPolarHBondContact OE2-CE 3.32Å; V102-M163 HydrophobicContact CG1-CB 4.17Å; V102-M163 HydrophobicContact CG1-CE 4.47Å; V102-M163 HydrophobicContact CG1-CG 3.91Å; L152-M163 PolarHBondContact N-O 3.42Å; L152-M163 WeakPolarHBondContact O-CA 3.39Å; L152-M163 WeakPolarHBondContact O-CB 3.19Å; L152-M163 PolarHBondContact O-N 3.14Å; F154-M163 HydrophobicContact CB-CG 3.82Å; F154-M163 HydrophobicContact CB-SD 4.22Å; F154-M163 HydrophobicContact CD2-CE 4.27Å; F154-M163 HydrophobicContact CD2-CG 4.29Å; F154-M163 HydrophobicContact CD2-SD 4.17Å; K161-M163 HydrophobicContact CD-SD 3.97Å; K161-M163 VanDerWaalsContact CE-SD 3.51Å; K161-M163 HydrophobicContact CG-SD 4.11Å
164	V	96.4	Very high	80.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.4	171.5	-178.4	0	0	0	0	108.5	N81 V83 A132 M136 H143 L146 L151	N81-V164 PolarHBondContact O-N 2.85Å; V83-V164 PolarHBondContact N-O 2.87Å; A132-V164 HydrophobicContact CB-CB 4.46Å; A132-V164 HydrophobicContact CB-CG2 3.69Å; M136-V164 HydrophobicContact CE-CG1 4.19Å; H143-V164 VanDerWaalsContact CD2-CG1 3.46Å; H143-V164 WeakPolarHBondContact CD2-CG1 3.4Å; L146-V164 HydrophobicContact CD2-CG1 3.89Å; L151-V164 HydrophobicContact CD2-CG2 3.87Å
165	S	91.7	Very high	78	Confident	7 Å²	7	44.8 Å²	44.8	5%	0.049	25%	0.245	C	C	.	.			trans	-104.7	171.6	175.6	72.2	0	0	0	0	111.6	H143 N150 F167	H143-S165 PolarHBondContact NE2-O 3.25Å; N150-S165 WeakPolarHBondContact CA-OG 3.28Å; N150-S165 PolarHBondContact O-N 2.85Å; N150-S165 PolarHBondContact O-OG 3.46Å; S165-F167 PolarHBondContact O-N 2.89Å
166	D	83	Confident	75.7	Confident	40 Å²	40	48.7 Å²	48.7	21%	0.214	26%	0.26	C	S	.	.	S	Bend	trans	56.2	22.4	172.6	-64.8	-70.6	0	0	0	116.6	K40 L169	K40-D166 IonicContact NZ-OD1 3.11Å; K40-D166 PolarHBondContact NZ-OD1 3.3Å; D166-L169 HydrophobicContact CB-CD1 4.33Å
167	F	74.6	Confident	73.6	Confident	12 Å²	12	45 Å²	45	5%	0.053	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	138.8	178.8	59.8	-84.8	0	0	0	112.7	L74 L77 I82 V83 M136 H143 S165 L169	L74-F167 HydrophobicContact CB-CE2 4.17Å; L74-F167 HydrophobicContact CD2-CD2 3.53Å; L74-F167 HydrophobicContact CD2-CE2 3.56Å; L74-F167 HydrophobicContact CG-CE2 4.41Å; L77-F167 HydrophobicContact CD1-CD2 3.76Å; L77-F167 HydrophobicContact CD1-CE2 3.57Å; I82-F167 HydrophobicContact CG2-CD1 3.63Å; I82-F167 HydrophobicContact CG2-CE1 3.35Å; I82-F167 HydrophobicContact CG2-CE2 4.38Å; I82-F167 HydrophobicContact CG2-CG 4.28Å; I82-F167 HydrophobicContact CG2-CZ 3.76Å; V83-F167 WeakPolarHBondContact O-CE1 3.49Å; V83-F167 WeakPolarHBondContact O-CZ 3.48Å; M136-F167 HydrophobicContact SD-CB 3.54Å; M136-F167 VanDerWaalsContact SD-CB 3.54Å; M136-F167 HydrophobicContact SD-CD2 4.36Å; M136-F167 HydrophobicContact SD-CG 4.02Å; H143-F167 VanDerWaalsContact CD2-CA 3.47Å; H143-F167 WeakPolarHBondContact CD2-CA 3.04Å; H143-F167 VanDerWaalsContact CD2-CB 3.41Å; H143-F167 WeakPolarHBondContact CD2-CB 3.49Å; H143-F167 WeakPolarHBondContact NE2-CA 3.23Å; S165-F167 PolarHBondContact O-N 2.89Å; F167-L169 WeakPolarHBondContact O-CG 3.31Å; F167-L169 PolarHBondContact O-N 3.37Å
168	G	61.8	Low	71.6	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	2.6	172.3	0	0	0	0	0	115.2	S170	G168-S170 VanDerWaalsContact C-N 3.33Å; G168-S170 PolarHBondContact O-N 2.93Å
169	L	62.7	Low	69.5	Low	10 Å²	10	45.8 Å²	45.8	5%	0.052	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-77.7	-18.1	-176.4	-58.1	-172.4	0	0	0	113.3	K40 L74 L97 D166 F167 K171 I172 E173	K40-L169 HydrophobicContact CD-CD1 3.99Å; L74-L169 HydrophobicContact CD1-CD2 4.28Å; L97-L169 HydrophobicContact CD2-CD1 3.84Å; L97-L169 HydrophobicContact CD2-CD2 3.45Å; L97-L169 VanDerWaalsContact CD2-CD2 3.45Å; L97-L169 HydrophobicContact CD2-CG 4.31Å; D166-L169 HydrophobicContact CB-CD1 4.33Å; F167-L169 WeakPolarHBondContact O-CG 3.31Å; F167-L169 PolarHBondContact O-N 3.37Å; L169-K171 PolarHBondContact O-N 3.28Å; L169-I172 HydrophobicContact CD2-CD1 3.88Å; L169-I172 WeakPolarHBondContact O-CA 3.45Å; L169-I172 VanDerWaalsContact O-CB 3.32Å; L169-I172 WeakPolarHBondContact O-CB 3.2Å; L169-I172 PolarHBondContact O-N 3.44Å; L169-E173 PolarHBondContact O-N 3.4Å
170	S	58.5	Low	67.5	Low	14 Å²	14	41.2 Å²	41.2	10%	0.098	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-59	-29.4	178.1	53.7	0	0	0	0	113.3	G168 I172 E173 N174 S177	G168-S170 VanDerWaalsContact C-N 3.33Å; G168-S170 PolarHBondContact O-N 2.93Å; S170-I172 VanDerWaalsContact C-N 3.34Å; S170-E173 PolarHBondContact O-N 3.3Å; S170-N174 PolarHBondContact O-N 3.45Å; S170-S177 PolarHBondContact O-OG 2.96Å
171	K	54.7	Low	65.6	Low	96 Å²	96	42 Å²	42	42%	0.417	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-71.1	-30.7	173.1	-70.7	-150.5	-144	123.1	0	113	E70 R144 L169	E70-K171 WeakPolarHBondContact OE1-CB 3.41Å; E70-K171 WeakPolarHBondContact OE1-CD 3.47Å; E70-K171 VanDerWaalsContact OE1-CE 3.29Å; E70-K171 WeakPolarHBondContact OE1-CE 3.37Å; E70-K171 WeakPolarHBondContact OE1-CG 3.49Å; E70-K171 IonicContact OE1-NZ 2.83Å; E70-K171 PolarHBondContact OE1-NZ 3.32Å; E70-K171 WeakPolarHBondContact OE2-CB 3.39Å; E70-K171 WeakPolarHBondContact OE2-CD 3.47Å; E70-K171 IonicContact OE2-NZ 3.07Å; R144-K171 VanDerWaalsContact NH1-CE 3.3Å; R144-K171 VanDerWaalsContact NH1-CG 3.27Å; L169-K171 PolarHBondContact O-N 3.28Å
172	I	52.6	Low	63.3	Low	11 Å²	11	39.6 Å²	39.6	6%	0.056	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.8	174.1	-45.1	-168.1	0	0	0	110	L47 L67 I71 L169 S170 N174	L47-I172 VanDerWaalsContact CD2-O 3.26Å; L47-I172 WeakPolarHBondContact CD2-O 3.43Å; L67-I172 HydrophobicContact CD1-CB 3.88Å; L67-I172 HydrophobicContact CD1-CD1 3.79Å; L67-I172 HydrophobicContact CD1-CG1 3.41Å; L67-I172 VanDerWaalsContact CD1-CG1 3.41Å; L67-I172 HydrophobicContact CD1-CG2 3.73Å; L67-I172 HydrophobicContact CD2-CG2 4.38Å; I71-I172 HydrophobicContact CG1-CD1 4.36Å; L169-I172 HydrophobicContact CD2-CD1 3.88Å; L169-I172 WeakPolarHBondContact O-CA 3.45Å; L169-I172 VanDerWaalsContact O-CB 3.32Å; L169-I172 WeakPolarHBondContact O-CB 3.2Å; L169-I172 PolarHBondContact O-N 3.44Å; S170-I172 VanDerWaalsContact C-N 3.34Å; I172-N174 PolarHBondContact O-N 3.37Å
173	E	52.3	Low	60.4	Low	52 Å²	52	43.5 Å²	43.5	24%	0.243	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	15.7	-177.9	-64.3	-179	-177.7	0	0	113.9	K40 L169 S170	K40-E173 IonicContact NZ-OE1 3.01Å; K40-E173 PolarHBondContact NZ-OE1 2.91Å; K40-E173 VanDerWaalsContact NZ-OE1 3.15Å; L169-E173 PolarHBondContact O-N 3.4Å; S170-E173 PolarHBondContact O-N 3.3Å
174	N	51.8	Low	58.3	Low	52 Å²	52	45 Å²	45	28%	0.278	25%	0.254	S	S	.	.			trans	63	160.6	-173.9	-82	-23.3	0	0	0	114.7	S170 I172 E176 S177	S170-N174 PolarHBondContact O-N 3.45Å; I172-N174 PolarHBondContact O-N 3.37Å; N174-E176 PolarHBondContact O-N 3.42Å; N174-E176 VanDerWaalsContact O-N 3.1Å; N174-S177 VanDerWaalsContact O-CB 3.25Å; N174-S177 WeakPolarHBondContact O-CB 3.34Å; N174-S177 PolarHBondContact O-N 3.13Å; N174-S177 PolarHBondContact O-OG 3.39Å
175	N	48.7	Very low	56.9	Low	126 Å²	126	47 Å²	47	67%	0.674	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.1	173.4	-75.6	-13.8	0	0	0	113.2	S177 I178	N175-S177 PolarHBondContact O-N 2.9Å; N175-I178 PolarHBondContact O-N 2.68Å
176	E	47.9	Very low	56.1	Low	112 Å²	112	47.1 Å²	47.1	52%	0.523	27%	0.266	S	S	.	.	H	α-helix	trans	-55.8	-27.6	171.6	-70.6	179.6	179.6	0	0	111.4	K49 N174 I178 M179 A180	K49-E176 IonicContact NZ-OE1 3.66Å; K49-E176 PolarHBondContact NZ-OE1 3.47Å; N174-E176 PolarHBondContact O-N 3.42Å; N174-E176 VanDerWaalsContact O-N 3.1Å; E176-I178 PolarHBondContact O-N 3.18Å; E176-M179 PolarHBondContact O-N 2.93Å; E176-A180 WeakPolarHBondContact O-CB 3.25Å; E176-A180 PolarHBondContact O-N 3.43Å
177	S	49.9	Very low	55.9	Low	11 Å²	11	45.8 Å²	45.8	8%	0.077	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-34.4	175.1	68.9	0	0	0	0	113.6	S170 N174 N175 A180 T181	S170-S177 PolarHBondContact O-OG 2.96Å; N174-S177 VanDerWaalsContact O-CB 3.25Å; N174-S177 WeakPolarHBondContact O-CB 3.34Å; N174-S177 PolarHBondContact O-N 3.13Å; N174-S177 PolarHBondContact O-OG 3.39Å; N175-S177 PolarHBondContact O-N 2.9Å; S177-A180 CarbonylContact O-C 3.59Å; S177-A180 PolarHBondContact O-N 3.22Å; S177-T181 PolarHBondContact O-N 3.46Å; S177-T181 PolarHBondContact O-OG1 3.39Å
178	I	50.9	Low	56.4	Low	58 Å²	58	46.1 Å²	46.1	30%	0.297	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-43.2	178.4	-59.5	174	0	0	0	109.4	N175 E176 T181 A182 V193	N175-I178 PolarHBondContact O-N 2.68Å; E176-I178 PolarHBondContact O-N 3.18Å; I178-T181 PolarHBondContact O-N 2.98Å; I178-A182 PolarHBondContact O-N 3.19Å; I178-V193 HydrophobicContact CG2-CG1 3.77Å
179	M	44.6	Very low	57.5	Low	132 Å²	132	46.7 Å²	46.7	65%	0.65	27%	0.266	S	S	*	.	H	α-helix	trans	-65.9	-40.2	172.9	-71.9	-173.3	171.9	0	0	111.3	E176 T181 A182 C183	E176-M179 PolarHBondContact O-N 2.93Å; M179-T181 VanDerWaalsContact C-N 3.31Å; M179-T181 PolarHBondContact O-N 2.87Å; M179-A182 CarbonylContact O-C 3.52Å; M179-A182 WeakPolarHBondContact O-CB 3.24Å; M179-A182 PolarHBondContact O-N 3.05Å; M179-A182 VanDerWaalsContact O-N 3.13Å; M179-C183 PolarHBondContact O-N 2.8Å; M179-C183 PolarHBondContact O-SG 3.48Å
180	A	48.8	Very low	58.7	Low	50 Å²	50	46.3 Å²	46.3	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-36.2	175.3	0	0	0	0	0	112.4	E176 S177 C183 G184	E176-A180 WeakPolarHBondContact O-CB 3.25Å; E176-A180 PolarHBondContact O-N 3.43Å; S177-A180 CarbonylContact O-C 3.59Å; S177-A180 PolarHBondContact O-N 3.22Å; A180-C183 PolarHBondContact O-N 3.28Å; A180-G184 WeakPolarHBondContact O-CA 3.42Å; A180-G184 PolarHBondContact O-N 3.33Å
181	T	54.7	Low	60.1	Low	29 Å²	29	45.9 Å²	45.9	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-42.5	171.6	-67.3	0	0	0	0	110.9	D145 S177 I178 M179 C183 G184 T185 V189	D145-T181 WeakPolarHBondContact OD1-CG2 3.49Å; D145-T181 PolarHBondContact OD1-OG1 3.43Å; D145-T181 VanDerWaalsContact OD1-OG1 3.12Å; S177-T181 PolarHBondContact O-N 3.46Å; S177-T181 PolarHBondContact O-OG1 3.39Å; I178-T181 PolarHBondContact O-N 2.98Å; M179-T181 VanDerWaalsContact C-N 3.31Å; M179-T181 PolarHBondContact O-N 2.87Å; T181-C183 VanDerWaalsContact C-N 3.28Å; T181-C183 PolarHBondContact O-N 3.14Å; T181-G184 PolarHBondContact O-N 3.22Å; T181-T185 CarbonylContact O-C 3.55Å; T181-T185 PolarHBondContact O-N 2.99Å; T181-V189 HydrophobicContact CG2-CG2 4.11Å
182	A	48.7	Very low	61.6	Low	16 Å²	16	42.1 Å²	42.1	13%	0.132	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-36.8	173.9	0	0	0	0	0	112.2	I178 M179 P186 V189 L194	I178-A182 PolarHBondContact O-N 3.19Å; M179-A182 CarbonylContact O-C 3.52Å; M179-A182 WeakPolarHBondContact O-CB 3.24Å; M179-A182 PolarHBondContact O-N 3.05Å; M179-A182 VanDerWaalsContact O-N 3.13Å; A182-P186 VanDerWaalsContact O-CB 3.29Å; A182-P186 WeakPolarHBondContact O-CB 3.32Å; A182-P186 WeakPolarHBondContact O-CD 3.41Å; A182-V189 HydrophobicContact CB-CG2 4.48Å; A182-L194 HydrophobicContact CB-CD2 4.49Å
183	C	35.6	Very low	62.8	Low	83 Å²	83	43.2 Å²	43.2	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-78.6	-29.1	174.9	-60.4	0	0	0	0	113.4	M179 A180 T181	M179-C183 PolarHBondContact O-N 2.8Å; M179-C183 PolarHBondContact O-SG 3.48Å; A180-C183 PolarHBondContact O-N 3.28Å; T181-C183 VanDerWaalsContact C-N 3.28Å; T181-C183 PolarHBondContact O-N 3.14Å
184	G	54.6	Low	63.7	Low	34 Å²	34	42.9 Å²	42.9	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-88.8	-35	-173.2	0	0	0	0	0	113.9	A180 T181	A180-G184 WeakPolarHBondContact O-CA 3.42Å; A180-G184 PolarHBondContact O-N 3.33Å; T181-G184 PolarHBondContact O-N 3.22Å
185	T	66.9	Low	64.3	Low	40 Å²	40	43.9 Å²	43.9	25%	0.245	26%	0.263	C	S	.	.			trans	-156	64.6	-176.2	-40.9	0	0	0	0	111.7	T181 G187 Y188	T181-T185 CarbonylContact O-C 3.55Å; T181-T185 PolarHBondContact O-N 2.99Å; T185-G187 PolarHBondContact O-N 3.32Å; T185-G187 VanDerWaalsContact O-N 3.09Å; T185-Y188 HydrophobicContact CG2-CD2 3.3Å; T185-Y188 HydrophobicContact CG2-CE2 3.21Å; T185-Y188 PolarHBondContact O-N 3.43Å
186	P	74	Confident	64.8	Low	10 Å²	10	40.3 Å²	40.3	7%	0.065	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.3	-30.4	-170.3	18.9	-32.1	0	0	0	114.7	A182 Y188 V189 L234 F235 I238	A182-P186 VanDerWaalsContact O-CB 3.29Å; A182-P186 WeakPolarHBondContact O-CB 3.32Å; A182-P186 WeakPolarHBondContact O-CD 3.41Å; P186-Y188 PolarHBondContact O-N 3.01Å; P186-Y188 VanDerWaalsContact O-N 3.07Å; P186-V189 WeakPolarHBondContact O-CB 3.47Å; P186-V189 PolarHBondContact O-N 3.05Å; P186-L234 HydrophobicContact CB-CD2 4.22Å; P186-L234 HydrophobicContact CG-CD2 3.55Å; P186-F235 HydrophobicContact CB-CD1 4.35Å; P186-F235 HydrophobicContact CB-CE1 3.55Å; P186-F235 HydrophobicContact CB-CZ 3.96Å; P186-I238 HydrophobicContact CB-CD1 4.33Å; P186-I238 WeakPolarHBondContact O-CD1 3.48Å
187	G	79.9	Confident	64.7	Low	12 Å²	12	42.1 Å²	42.1	12%	0.124	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-62	-18.6	-173.1	0	0	0	0	0	116.1	T185 V214	T185-G187 PolarHBondContact O-N 3.32Å; T185-G187 VanDerWaalsContact O-N 3.09Å; G187-V214 WeakPolarHBondContact O-CG2 3.46Å
188	Y	85.5	Confident	64.2	Low	20 Å²	20	50.6 Å²	50.6	8%	0.078	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-95.5	-8.6	177	-55	-83.7	0	0	0	113	K147 P148 T185 P186 V214 I215 I218 F306	K147-Y188 HydrophobicContact CB-CD2 4.21Å; K147-Y188 HydrophobicContact CB-CE2 4.45Å; K147-Y188 HydrophobicContact CB-CG 4.27Å; P148-Y188 VanDerWaalsContact CD-CE1 3.42Å; P148-Y188 WeakPolarHBondContact CD-OH 3.49Å; P148-Y188 HydrophobicContact CG-CE1 3.95Å; P148-Y188 WeakPolarHBondContact CG-OH 3.45Å; T185-Y188 HydrophobicContact CG2-CD2 3.3Å; T185-Y188 HydrophobicContact CG2-CE2 3.21Å; T185-Y188 PolarHBondContact O-N 3.43Å; P186-Y188 PolarHBondContact O-N 3.01Å; P186-Y188 VanDerWaalsContact O-N 3.07Å; Y188-V214 HydrophobicContact CD1-CB 3.94Å; Y188-V214 HydrophobicContact CD1-CG1 3.4Å; Y188-V214 HydrophobicContact CE1-CB 4.41Å; Y188-V214 HydrophobicContact CE1-CG1 3.56Å; Y188-V214 HydrophobicContact CG-CG1 4.24Å; Y188-I215 HydrophobicContact CD1-CG1 4.25Å; Y188-I215 HydrophobicContact CE1-CG1 4.13Å; Y188-I218 HydrophobicContact CE1-CD1 3.58Å; Y188-I218 WeakPolarHBondContact OH-CD1 3.46Å; Y188-F306 WeakPolarHBondContact OH-CE1 3.1Å
189	V	85.1	Confident	63.5	Low	13 Å²	13	51.4 Å²	51.4	8%	0.079	32%	0.32	C	S	.	.	S	Bend	trans	-79.4	131.1	-177.5	179.1	0	0	0	0	109.4	T181 A182 P186 V193 L194 W210 I238	T181-V189 HydrophobicContact CG2-CG2 4.11Å; A182-V189 HydrophobicContact CB-CG2 4.48Å; P186-V189 WeakPolarHBondContact O-CB 3.47Å; P186-V189 PolarHBondContact O-N 3.05Å; V189-V193 HydrophobicContact CG1-CB 3.56Å; V189-V193 HydrophobicContact CG1-CG1 3.59Å; V189-V193 HydrophobicContact CG1-CG2 4.36Å; V189-L194 HydrophobicContact CG1-CD2 3.94Å; V189-L194 HydrophobicContact CG1-CG 4.16Å; V189-W210 PolarHBondContact O-NE1 2.96Å; V189-I238 WeakPolarHBondContact O-CG2 3.22Å
190	A	86.9	Confident	63.1	Low	2 Å²	2	48.9 Å²	48.9	2%	0.017	32%	0.315	C	S	.	.			trans	-69.7	149.7	-179.1	0	0	0	0	0	111.8	E192 V193 V207 W210	A190-E192 VanDerWaalsContact CB-CD 3.47Å; A190-E192 HydrophobicContact CB-CG 4.5Å; A190-E192 WeakPolarHBondContact CB-OE1 3.24Å; A190-E192 WeakPolarHBondContact CB-OE2 3.36Å; A190-E192 PolarHBondContact O-N 3.41Å; A190-V193 HydrophobicContact CB-CG2 4.36Å; A190-V193 WeakPolarHBondContact O-CB 3.45Å; A190-V193 PolarHBondContact O-N 2.74Å; A190-V207 HydrophobicContact CB-CB 4.15Å; A190-V207 HydrophobicContact CB-CG1 4.04Å; A190-W210 HydrophobicContact CB-CB 3.81Å; A190-W210 HydrophobicContact CB-CD2 4.27Å; A190-W210 HydrophobicContact CB-CG 3.72Å
191	P	88	Confident	62.8	Low	4 Å²	4	52.4 Å²	52.4	3%	0.026	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.6	-177.2	-25.5	32.2	0	0	0	113.3	V193 L194 S195 W210 I238	P191-V193 VanDerWaalsContact C-N 3.34Å; P191-V193 PolarHBondContact O-N 3.44Å; P191-L194 PolarHBondContact O-N 2.77Å; P191-S195 PolarHBondContact O-N 3.27Å; P191-S195 PolarHBondContact O-OG 2.84Å; P191-W210 HydrophobicContact CG-CD2 4.47Å; P191-W210 HydrophobicContact CG-CE3 4.08Å; P191-W210 HydrophobicContact CG-CH2 3.45Å; P191-W210 VanDerWaalsContact CG-CH2 3.45Å; P191-W210 HydrophobicContact CG-CZ2 3.88Å; P191-W210 HydrophobicContact CG-CZ3 3.56Å; P191-I238 HydrophobicContact CG-CG2 4.49Å; P191-I238 WeakPolarHBondContact CG-O 3.47Å
192	E	85.2	Confident	62.4	Low	17 Å²	17	54.2 Å²	54.2	8%	0.079	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.9	-175.9	71.3	-88.8	-162.9	0	0	113.5	A190 L194 S195 V196 Y203 V207 P269 R272	A190-E192 VanDerWaalsContact CB-CD 3.47Å; A190-E192 HydrophobicContact CB-CG 4.5Å; A190-E192 WeakPolarHBondContact CB-OE1 3.24Å; A190-E192 WeakPolarHBondContact CB-OE2 3.36Å; A190-E192 PolarHBondContact O-N 3.41Å; E192-L194 VanDerWaalsContact C-N 3.31Å; E192-S195 PolarHBondContact O-N 2.94Å; E192-V196 VanDerWaalsContact O-CG2 3.25Å; E192-V196 WeakPolarHBondContact O-CG2 3.23Å; E192-Y203 HydrophobicContact CB-CD1 3.92Å; E192-Y203 HydrophobicContact CB-CE1 3.51Å; E192-Y203 HydrophobicContact CG-CD1 3.33Å; E192-Y203 HydrophobicContact CG-CE1 3.51Å; E192-Y203 HydrophobicContact CG-CG 4.43Å; E192-Y203 VanDerWaalsContact O-CE1 3.3Å; E192-Y203 WeakPolarHBondContact O-CE1 3.45Å; E192-Y203 PolarHBondContact O-OH 3.46Å; E192-V207 HydrophobicContact CG-CG1 4.48Å; E192-P269 HydrophobicContact CG-CG 4.44Å; E192-R272 IonicContact OE1-CZ 2.65Å; E192-R272 IonicContact OE1-NH1 2.52Å; E192-R272 PolarHBondContact OE1-NH1 3.3Å; E192-R272 IonicContact OE1-NH2 3.89Å; E192-R272 IonicContact OE2-CZ 2.83Å; E192-R272 IonicContact OE2-NH1 2.79Å; E192-R272 PolarHBondContact OE2-NH1 2.65Å; E192-R272 IonicContact OE2-NH2 2.68Å; E192-R272 PolarHBondContact OE2-NH2 3.49Å
193	V	79.3	Confident	62.9	Low	35 Å²	35	57 Å²	57	21%	0.212	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.7	172.6	178.7	0	0	0	0	111.4	I178 V189 A190 P191 S195 V196 V207	I178-V193 HydrophobicContact CG2-CG1 3.77Å; V189-V193 HydrophobicContact CG1-CB 3.56Å; V189-V193 HydrophobicContact CG1-CG1 3.59Å; V189-V193 HydrophobicContact CG1-CG2 4.36Å; A190-V193 HydrophobicContact CB-CG2 4.36Å; A190-V193 WeakPolarHBondContact O-CB 3.45Å; A190-V193 PolarHBondContact O-N 2.74Å; P191-V193 VanDerWaalsContact C-N 3.34Å; P191-V193 PolarHBondContact O-N 3.44Å; V193-S195 VanDerWaalsContact C-N 3.35Å; V193-V196 WeakPolarHBondContact O-CG2 3.47Å; V193-V207 HydrophobicContact CG2-CB 4.45Å; V193-V207 HydrophobicContact CG2-CG1 3.65Å
194	L	71.1	Confident	64.8	Low	45 Å²	45	54.1 Å²	54.1	24%	0.236	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.6	175.9	-58	175.5	0	0	0	113.1	A182 V189 P191 E192 F235 I238 R239	A182-L194 HydrophobicContact CB-CD2 4.49Å; V189-L194 HydrophobicContact CG1-CD2 3.94Å; V189-L194 HydrophobicContact CG1-CG 4.16Å; P191-L194 PolarHBondContact O-N 2.77Å; E192-L194 VanDerWaalsContact C-N 3.31Å; L194-F235 HydrophobicContact CD1-CD1 3.7Å; L194-F235 HydrophobicContact CD1-CE1 4.41Å; L194-F235 HydrophobicContact CD2-CD1 3.79Å; L194-F235 HydrophobicContact CD2-CE1 3.74Å; L194-F235 HydrophobicContact CG-CD1 4.37Å; L194-I238 HydrophobicContact CD1-CB 3.97Å; L194-I238 HydrophobicContact CD1-CD1 4.49Å; L194-I238 HydrophobicContact CD1-CG2 3.54Å; L194-R239 HydrophobicContact CB-CG 4.26Å; L194-R239 HydrophobicContact CD1-CG 4.29Å
195	S	63.9	Low	66.5	Low	73 Å²	73	56.5 Å²	56.5	51%	0.51	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	7.5	-173.2	-55.2	0	0	0	0	113.1	P191 E192 V193 N197	P191-S195 PolarHBondContact O-N 3.27Å; P191-S195 PolarHBondContact O-OG 2.84Å; E192-S195 PolarHBondContact O-N 2.94Å; V193-S195 VanDerWaalsContact C-N 3.35Å; S195-N197 PolarHBondContact O-N 2.97Å
196	V	59.2	Low	67.7	Low	50 Å²	50	58.2 Å²	58.2	30%	0.303	36%	0.359	S	S	.	.			trans	-87	100.2	-172.9	-157.7	0	0	0	0	110	E192 V193 E198 Y203	E192-V196 VanDerWaalsContact O-CG2 3.25Å; E192-V196 WeakPolarHBondContact O-CG2 3.23Å; V193-V196 WeakPolarHBondContact O-CG2 3.47Å; V196-E198 PolarHBondContact O-N 3.46Å; V196-Y203 HydrophobicContact CB-CE2 4.05Å; V196-Y203 HydrophobicContact CG1-CE2 3.8Å; V196-Y203 HydrophobicContact CG2-CD2 3.89Å; V196-Y203 HydrophobicContact CG2-CE2 3.07Å; V196-Y203 VanDerWaalsContact CG2-CZ 3.44Å; V196-Y203 WeakPolarHBondContact CG2-OH 3.47Å
197	N	46.8	Very low	68.6	Low	151 Å²	151	58.3 Å²	58.3	81%	0.807	36%	0.36	S	S	*	.			trans	-65.4	125.7	151.9	-65.7	-19.2	0	0	0	107.1	S195 G199	S195-N197 PolarHBondContact O-N 2.97Å; N197-G199 PolarHBondContact O-N 3.41Å
198	E	37.7	Very low	69.3	Low	188 Å²	188	57.8 Å²	57.8	88%	0.879	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-26.1	118.4	-175.4	-56.9	-176.4	158.7	0	0	114.8	V196	V196-E198 PolarHBondContact O-N 3.46Å
199	G	37	Very low	69.8	Low	75 Å²	75	57 Å²	57	77%	0.773	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	127	-4.1	162.1	0	0	0	0	0	118.3	N197 S201	N197-G199 PolarHBondContact O-N 3.41Å; G199-S201 PolarHBondContact O-N 3.15Å
200	S	37	Very low	70.4	Confident	79 Å²	79	56.3 Å²	56.3	55%	0.552	35%	0.347	S	S	*	.			trans	-96.1	92.7	175.8	-65.8	0	0	0	0	112	G202 Y203	S200-G202 PolarHBondContact O-N 3.49Å; S200-Y203 WeakPolarHBondContact O-CE2 3.43Å
201	S	41.2	Very low	70.8	Confident	124 Å²	124	56.4 Å²	56.4	87%	0.867	35%	0.348	S	S	*	.			trans	-70.3	21.1	177.1	51.9	0	0	0	0	115.1	G199	G199-S201 PolarHBondContact O-N 3.15Å
202	G	46.1	Very low	71.3	Confident	68 Å²	68	56.2 Å²	56.2	70%	0.701	35%	0.347	S	S	*	.			trans	-97.8	3.5	-167.5	0	0	0	0	0	116.6	S200 G204	S200-G202 PolarHBondContact O-N 3.49Å; G202-G204 PolarHBondContact O-N 2.95Å
203	Y	59.4	Low	71.9	Confident	75 Å²	75	55.4 Å²	55.4	29%	0.294	34%	0.343	S	S	.	.			trans	-75.9	114	173.7	-56.1	-69.9	0	0	0	109.5	E192 V196 S200	E192-Y203 HydrophobicContact CB-CD1 3.92Å; E192-Y203 HydrophobicContact CB-CE1 3.51Å; E192-Y203 HydrophobicContact CG-CD1 3.33Å; E192-Y203 HydrophobicContact CG-CE1 3.51Å; E192-Y203 HydrophobicContact CG-CG 4.43Å; E192-Y203 VanDerWaalsContact O-CE1 3.3Å; E192-Y203 WeakPolarHBondContact O-CE1 3.45Å; E192-Y203 PolarHBondContact O-OH 3.46Å; V196-Y203 HydrophobicContact CB-CE2 4.05Å; V196-Y203 HydrophobicContact CG1-CE2 3.8Å; V196-Y203 HydrophobicContact CG2-CD2 3.89Å; V196-Y203 HydrophobicContact CG2-CE2 3.07Å; V196-Y203 VanDerWaalsContact CG2-CZ 3.44Å; V196-Y203 WeakPolarHBondContact CG2-OH 3.47Å; S200-Y203 WeakPolarHBondContact O-CE2 3.43Å
204	G	76.4	Confident	72.8	Confident	21 Å²	21	53.8 Å²	53.8	22%	0.216	33%	0.333	C	S	.	.			trans	-105.4	-111.8	-169.4	0	0	0	0	0	111.3	V142 G202 V207	V142-G204 WeakPolarHBondContact CG1-O 3.33Å; V142-G204 VanDerWaalsContact CG2-O 3.28Å; V142-G204 WeakPolarHBondContact CG2-O 3.47Å; G202-G204 PolarHBondContact O-N 2.95Å; G204-V207 WeakPolarHBondContact O-CG2 3.41Å
205	K	90.3	Very high	74	Confident	85 Å²	85	51.7 Å²	51.7	37%	0.37	32%	0.322	S	S	.	.	S	Bend	trans	-96.4	-22.7	-163.4	-70	171.1	174.3	-172.6	0	112.4	H137 V142 V207 D208 C209	H137-K205 HydrophobicContact CB-CD 3.81Å; H137-K205 HydrophobicContact CB-CG 4.09Å; H137-K205 PolarHBondContact CE1-O 2.84Å; H137-K205 WeakPolarHBondContact O-CE 3.49Å; H137-K205 PolarHBondContact O-NZ 2.64Å; V142-K205 HydrophobicContact CG2-CG 4.07Å; K205-V207 VanDerWaalsContact C-N 3.26Å; K205-V207 PolarHBondContact O-N 2.8Å; K205-D208 PolarHBondContact O-N 2.93Å; K205-C209 PolarHBondContact O-SG 3.08Å
206	E	92.8	Very high	75.7	Confident	76 Å²	76	48.2 Å²	48.2	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-69.3	-27.1	-172.9	-58	73.4	-162.2	0	0	111.4	D208 C209 W210 P269 R272	E206-D208 VanDerWaalsContact C-N 3.32Å; E206-D208 PolarHBondContact O-N 3.44Å; E206-C209 WeakPolarHBondContact O-CB 3.36Å; E206-C209 PolarHBondContact O-N 3.2Å; E206-W210 PolarHBondContact O-N 3.14Å; E206-P269 HydrophobicContact CB-CB 3.87Å; E206-P269 HydrophobicContact CG-CB 4.09Å; E206-P269 WeakPolarHBondContact CG-O 3.38Å; E206-R272 VanDerWaalsContact C-NH1 3.3Å; E206-R272 WeakPolarHBondContact O-CD 3.42Å; E206-R272 PolarHBondContact O-NH1 3.02Å
207	V	91.9	Very high	77.5	Confident	12 Å²	12	45.9 Å²	45.9	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-37.1	175.8	-56.9	0	0	0	0	111.7	V142 A190 E192 V193 G204 K205 C209 W210 A211	V142-V207 HydrophobicContact CG1-CG2 3.96Å; A190-V207 HydrophobicContact CB-CB 4.15Å; A190-V207 HydrophobicContact CB-CG1 4.04Å; E192-V207 HydrophobicContact CG-CG1 4.48Å; V193-V207 HydrophobicContact CG2-CB 4.45Å; V193-V207 HydrophobicContact CG2-CG1 3.65Å; G204-V207 WeakPolarHBondContact O-CG2 3.41Å; K205-V207 VanDerWaalsContact C-N 3.26Å; K205-V207 PolarHBondContact O-N 2.8Å; V207-C209 VanDerWaalsContact C-N 3.33Å; V207-W210 WeakPolarHBondContact O-CB 3.18Å; V207-W210 PolarHBondContact O-N 2.98Å; V207-A211 PolarHBondContact O-N 3.27Å; V207-A211 VanDerWaalsContact O-N 3.09Å
208	D	94.2	Very high	79.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-37.7	176	-67	-18.8	0	0	0	110.3	T133 H137 V142 H143 R144 L146 K205 E206 W210 A211 I212	T133-D208 HydrophobicContact CG2-CB 3.73Å; H137-D208 IonicContact CD2-OD2 3.11Å; H137-D208 IonicContact CE1-OD2 3.27Å; H137-D208 IonicContact NE2-OD2 2.85Å; H137-D208 PolarHBondContact NE2-OD2 2.98Å; V142-D208 VanDerWaalsContact CG1-OD2 3.29Å; V142-D208 WeakPolarHBondContact CG1-OD2 3.34Å; H143-D208 WeakPolarHBondContact CB-OD1 3.24Å; H143-D208 PolarHBondContact N-OD1 3.17Å; H143-D208 PolarHBondContact N-OD2 3.31Å; R144-D208 PolarHBondContact N-OD1 3.02Å; L146-D208 HydrophobicContact CD1-CB 3.8Å; K205-D208 PolarHBondContact O-N 2.93Å; E206-D208 VanDerWaalsContact C-N 3.32Å; E206-D208 PolarHBondContact O-N 3.44Å; D208-W210 VanDerWaalsContact C-N 3.34Å; D208-W210 PolarHBondContact O-N 3.48Å; D208-A211 PolarHBondContact O-N 3.29Å; D208-I212 VanDerWaalsContact O-CG1 3.24Å; D208-I212 WeakPolarHBondContact O-CG1 3.34Å; D208-I212 PolarHBondContact O-N 2.91Å
209	C	97.4	Very high	82.6	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-39.6	177.5	-57.6	0	0	0	0	111.4	K205 E206 V207 I212 G213 L264 R272 Y273 C275	K205-C209 PolarHBondContact O-SG 3.08Å; E206-C209 WeakPolarHBondContact O-CB 3.36Å; E206-C209 PolarHBondContact O-N 3.2Å; V207-C209 VanDerWaalsContact C-N 3.33Å; C209-I212 PolarHBondContact O-N 2.95Å; C209-G213 PolarHBondContact O-N 2.79Å; C209-L264 HydrophobicContact CB-CD2 4Å; C209-R272 HydrophobicContact CB-CG 4.46Å; C209-Y273 WeakPolarHBondContact CB-O 3.4Å; C209-Y273 PolarHBondContact SG-O 2.97Å; C209-C275 VanDerWaalsContact SG-SG 3.68Å
210	W	96.9	Very high	85.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-51.4	171.8	174.3	-86	0	0	0	111.5	V189 A190 P191 E206 V207 D208 I212 G213 V214 F226 I238 A241 L265	V189-W210 PolarHBondContact O-NE1 2.96Å; A190-W210 HydrophobicContact CB-CB 3.81Å; A190-W210 HydrophobicContact CB-CD2 4.27Å; A190-W210 HydrophobicContact CB-CG 3.72Å; P191-W210 HydrophobicContact CG-CD2 4.47Å; P191-W210 HydrophobicContact CG-CE3 4.08Å; P191-W210 HydrophobicContact CG-CH2 3.45Å; P191-W210 VanDerWaalsContact CG-CH2 3.45Å; P191-W210 HydrophobicContact CG-CZ2 3.88Å; P191-W210 HydrophobicContact CG-CZ3 3.56Å; E206-W210 PolarHBondContact O-N 3.14Å; V207-W210 WeakPolarHBondContact O-CB 3.18Å; V207-W210 PolarHBondContact O-N 2.98Å; D208-W210 VanDerWaalsContact C-N 3.34Å; D208-W210 PolarHBondContact O-N 3.48Å; W210-I212 VanDerWaalsContact C-N 3.26Å; W210-I212 PolarHBondContact O-N 2.97Å; W210-G213 WeakPolarHBondContact O-CA 3.35Å; W210-G213 PolarHBondContact O-N 3.14Å; W210-V214 PolarHBondContact O-N 2.74Å; W210-F226 HydrophobicContact CH2-CE2 4Å; W210-F226 AromaticContact CH2-CZ 3.64Å; W210-F226 HydrophobicContact CH2-CZ 3.64Å; W210-F226 HydrophobicContact CZ2-CD2 4.34Å; W210-F226 AromaticContact CZ2-CE2 3.33Å; W210-F226 HydrophobicContact CZ2-CE2 3.33Å; W210-F226 AromaticContact CZ2-CZ 3.47Å; W210-F226 HydrophobicContact CZ2-CZ 3.47Å; W210-F226 VanDerWaalsContact CZ2-CZ 3.47Å; W210-I238 HydrophobicContact CZ2-CG2 4.14Å; W210-A241 HydrophobicContact CH2-CB 3.78Å; W210-A241 HydrophobicContact CZ3-CB 4.02Å; W210-L265 HydrophobicContact CD2-CD2 4.02Å; W210-L265 HydrophobicContact CE3-CD2 4.13Å; W210-L265 HydrophobicContact CH2-CD2 4.47Å; W210-L265 HydrophobicContact CZ2-CD2 4.36Å; W210-L265 HydrophobicContact CZ3-CB 4.31Å; W210-L265 HydrophobicContact CZ3-CD2 4.36Å
211	A	95.8	Very high	88.2	Confident	4 Å²	4	22.4 Å²	22.4	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-39.1	179.4	0	0	0	0	0	112.1	L146 V207 D208 G213 V214 I215	L146-A211 HydrophobicContact CB-CB 3.69Å; L146-A211 WeakPolarHBondContact O-CB 3.42Å; V207-A211 PolarHBondContact O-N 3.27Å; V207-A211 VanDerWaalsContact O-N 3.09Å; D208-A211 PolarHBondContact O-N 3.29Å; A211-G213 VanDerWaalsContact C-N 3.33Å; A211-G213 PolarHBondContact O-N 2.95Å; A211-V214 PolarHBondContact O-N 2.9Å; A211-I215 WeakPolarHBondContact O-CD1 3.44Å; A211-I215 VanDerWaalsContact O-CG1 3.23Å; A211-I215 WeakPolarHBondContact O-CG1 3.35Å; A211-I215 PolarHBondContact O-N 2.85Å
212	I	98.1	Very high	90.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-39.3	172.9	-67.3	167.9	0	0	0	111.4	I126 V129 L130 T133 L146 D208 C209 W210 I215 A216 L264	I126-I212 HydrophobicContact CD1-CG2 4.31Å; I126-I212 HydrophobicContact CG2-CG2 4.11Å; V129-I212 HydrophobicContact CG1-CD1 4.06Å; V129-I212 HydrophobicContact CG1-CG1 3.89Å; L130-I212 HydrophobicContact CD2-CD1 3.97Å; L130-I212 HydrophobicContact CD2-CG2 4.12Å; L130-I212 HydrophobicContact CG-CG2 4.33Å; T133-I212 HydrophobicContact CG2-CD1 4.02Å; L146-I212 HydrophobicContact CD1-CD1 4.08Å; L146-I212 HydrophobicContact CD1-CG1 3.87Å; D208-I212 VanDerWaalsContact O-CG1 3.24Å; D208-I212 WeakPolarHBondContact O-CG1 3.34Å; D208-I212 PolarHBondContact O-N 2.91Å; C209-I212 PolarHBondContact O-N 2.95Å; W210-I212 VanDerWaalsContact C-N 3.26Å; W210-I212 PolarHBondContact O-N 2.97Å; I212-I215 PolarHBondContact O-N 3.03Å; I212-A216 VanDerWaalsContact O-CB 3.31Å; I212-A216 WeakPolarHBondContact O-CB 3.47Å; I212-A216 PolarHBondContact O-N 3.35Å; I212-L264 HydrophobicContact CB-CD1 4.47Å; I212-L264 HydrophobicContact CG2-CD1 3.97Å
213	G	98.3	Very high	92.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.4	-44.3	173.5	0	0	0	0	0	112.6	C209 W210 A211 A216 Y217	C209-G213 PolarHBondContact O-N 2.79Å; W210-G213 WeakPolarHBondContact O-CA 3.35Å; W210-G213 PolarHBondContact O-N 3.14Å; A211-G213 VanDerWaalsContact C-N 3.33Å; A211-G213 PolarHBondContact O-N 2.95Å; G213-A216 PolarHBondContact O-N 3.43Å; G213-Y217 WeakPolarHBondContact O-CB 3.49Å; G213-Y217 PolarHBondContact O-N 3.28Å
214	V	97.4	Very high	94.4	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-44.7	175.8	178.4	0	0	0	0	110.8	G187 Y188 W210 A211 Y217 I218 P225 F226 L265	G187-V214 WeakPolarHBondContact O-CG2 3.46Å; Y188-V214 HydrophobicContact CD1-CB 3.94Å; Y188-V214 HydrophobicContact CD1-CG1 3.4Å; Y188-V214 HydrophobicContact CE1-CB 4.41Å; Y188-V214 HydrophobicContact CE1-CG1 3.56Å; Y188-V214 HydrophobicContact CG-CG1 4.24Å; W210-V214 PolarHBondContact O-N 2.74Å; A211-V214 PolarHBondContact O-N 2.9Å; V214-Y217 WeakPolarHBondContact O-CB 3.3Å; V214-Y217 PolarHBondContact O-N 3.2Å; V214-I218 HydrophobicContact CG1-CD1 3.96Å; V214-I218 WeakPolarHBondContact O-CD1 3.44Å; V214-I218 WeakPolarHBondContact O-CG1 3.38Å; V214-I218 PolarHBondContact O-N 2.9Å; V214-P225 HydrophobicContact CB-CG 4.41Å; V214-P225 HydrophobicContact CG1-CG 3.98Å; V214-P225 HydrophobicContact CG2-CG 4.25Å; V214-F226 HydrophobicContact CG2-CE2 4.23Å; V214-L265 HydrophobicContact CG2-CD2 3.68Å
215	I	97.1	Very high	95.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.5	-44.3	176.7	-67	161.9	0	0	0	110.4	L107 I126 L146 P148 L151 Y188 A211 I212 Y217 I218 L219	L107-I215 HydrophobicContact CD2-CG2 4.31Å; I126-I215 HydrophobicContact CD1-CG2 4.08Å; L146-I215 HydrophobicContact CB-CD1 4.48Å; P148-I215 HydrophobicContact CG-CG1 4.31Å; L151-I215 HydrophobicContact CD1-CD1 4.04Å; L151-I215 HydrophobicContact CD1-CG2 4.04Å; Y188-I215 HydrophobicContact CD1-CG1 4.25Å; Y188-I215 HydrophobicContact CE1-CG1 4.13Å; A211-I215 WeakPolarHBondContact O-CD1 3.44Å; A211-I215 VanDerWaalsContact O-CG1 3.23Å; A211-I215 WeakPolarHBondContact O-CG1 3.35Å; A211-I215 PolarHBondContact O-N 2.85Å; I212-I215 PolarHBondContact O-N 3.03Å; I215-Y217 VanDerWaalsContact C-N 3.34Å; I215-Y217 PolarHBondContact O-N 2.78Å; I215-I218 PolarHBondContact O-N 3.04Å; I215-L219 HydrophobicContact CG2-CD1 3.84Å; I215-L219 HydrophobicContact CG2-CG 4.26Å; I215-L219 WeakPolarHBondContact O-CB 3.46Å; I215-L219 VanDerWaalsContact O-CG 3.22Å; I215-L219 WeakPolarHBondContact O-CG 3.35Å; I215-L219 PolarHBondContact O-N 2.83Å
216	A	98.2	Very high	95.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.5	-42	177.4	0	0	0	0	0	111.9	I126 I212 G213 L219 L220 F260 I261	I126-A216 HydrophobicContact CD1-CB 3.81Å; I126-A216 HydrophobicContact CG1-CB 3.96Å; I212-A216 VanDerWaalsContact O-CB 3.31Å; I212-A216 WeakPolarHBondContact O-CB 3.47Å; I212-A216 PolarHBondContact O-N 3.35Å; G213-A216 PolarHBondContact O-N 3.43Å; A216-L219 PolarHBondContact O-N 3.48Å; A216-L220 WeakPolarHBondContact O-CG 3.5Å; A216-L220 PolarHBondContact O-N 3.15Å; A216-F260 HydrophobicContact CB-CE1 4.02Å; A216-I261 HydrophobicContact CB-CG1 4.1Å
217	Y	97.9	Very high	95	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-56.6	-52.6	173.8	-173.9	-77.2	0	0	0	111	G213 V214 I215 L219 L220 C221 Y223 P225 Y243 E244 F245 W250 I261	G213-Y217 WeakPolarHBondContact O-CB 3.49Å; G213-Y217 PolarHBondContact O-N 3.28Å; V214-Y217 WeakPolarHBondContact O-CB 3.3Å; V214-Y217 PolarHBondContact O-N 3.2Å; I215-Y217 VanDerWaalsContact C-N 3.34Å; I215-Y217 PolarHBondContact O-N 2.78Å; Y217-L219 VanDerWaalsContact C-N 3.31Å; Y217-L219 PolarHBondContact O-N 2.9Å; Y217-L220 PolarHBondContact O-N 3.43Å; Y217-L220 VanDerWaalsContact O-N 3.13Å; Y217-C221 WeakPolarHBondContact CE1-SG 3.5Å; Y217-C221 PolarHBondContact O-N 2.8Å; Y217-C221 PolarHBondContact O-SG 3.31Å; Y217-Y223 VanDerWaalsContact CD1-O 3.29Å; Y217-Y223 WeakPolarHBondContact CD1-O 3.47Å; Y217-Y223 HydrophobicContact CE1-CD2 4.02Å; Y217-Y223 AromaticContact CE1-CE2 3.85Å; Y217-Y223 HydrophobicContact CE1-CE2 3.85Å; Y217-Y223 WeakPolarHBondContact CE1-O 3.33Å; Y217-Y223 VanDerWaalsContact OH-CE2 3.28Å; Y217-Y223 WeakPolarHBondContact OH-CE2 3.28Å; Y217-Y223 PolarHBondContact OH-OH 2.81Å; Y217-P225 HydrophobicContact CD1-CB 3.75Å; Y217-P225 HydrophobicContact CD1-CG 4.05Å; Y217-P225 HydrophobicContact CD2-CB 3.81Å; Y217-P225 VanDerWaalsContact CE1-CA 3.5Å; Y217-P225 HydrophobicContact CE1-CB 3.87Å; Y217-P225 HydrophobicContact CE2-CB 3.95Å; Y217-P225 HydrophobicContact CG-CB 3.73Å; Y217-P225 HydrophobicContact CG-CG 4.03Å; Y217-Y243 HydrophobicContact CE2-CD2 4.21Å; Y217-E244 PolarHBondContact OH-O 3.08Å; Y217-F245 HydrophobicContact CD2-CD1 4.37Å; Y217-F245 AromaticContact CD2-CE1 3.99Å; Y217-F245 HydrophobicContact CD2-CE1 3.99Å; Y217-F245 AromaticContact CE2-CD1 3.87Å; Y217-F245 HydrophobicContact CE2-CD1 3.87Å; Y217-F245 AromaticContact CE2-CE1 3.93Å; Y217-F245 HydrophobicContact CE2-CE1 3.93Å; Y217-W250 AromaticContact CD1-CZ2 3.93Å; Y217-W250 HydrophobicContact CD1-CZ2 3.93Å; Y217-W250 AromaticContact CD2-CH2 3.81Å; Y217-W250 HydrophobicContact CD2-CH2 3.81Å; Y217-W250 AromaticContact CD2-CZ2 3.41Å; Y217-W250 HydrophobicContact CD2-CZ2 3.41Å; Y217-W250 VanDerWaalsContact CD2-CZ2 3.41Å; Y217-W250 AromaticContact CE1-CZ2 3.84Å; Y217-W250 HydrophobicContact CE1-CZ2 3.84Å; Y217-W250 AromaticContact CE2-CE2 3.76Å; Y217-W250 HydrophobicContact CE2-CH2 4.06Å; Y217-W250 AromaticContact CE2-CZ2 3.28Å; Y217-W250 HydrophobicContact CE2-CZ2 3.28Å; Y217-W250 AromaticContact CE2-NE1 3.96Å; Y217-W250 HydrophobicContact CG-CH2 4.15Å; Y217-W250 AromaticContact CG-CZ2 3.72Å; Y217-W250 HydrophobicContact CG-CZ2 3.72Å; Y217-W250 AromaticContact CZ-CE2 3.76Å; Y217-W250 AromaticContact CZ-CZ2 3.5Å; Y217-W250 AromaticContact CZ-NE1 3.56Å; Y217-W250 PolarHBondContact OH-NE1 3.31Å; Y217-I261 HydrophobicContact CD2-CG2 4.24Å
218	I	95.9	Very high	94.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.6	-37	-179.5	-62.2	159.4	0	0	0	111.6	F108 Y188 V214 I215 L220 G222 Y223 P224 F306	F108-I218 HydrophobicContact CE1-CG2 3.81Å; F108-I218 HydrophobicContact CE2-CG2 4.13Å; F108-I218 HydrophobicContact CZ-CB 4.19Å; F108-I218 HydrophobicContact CZ-CG2 3.32Å; Y188-I218 HydrophobicContact CE1-CD1 3.58Å; Y188-I218 WeakPolarHBondContact OH-CD1 3.46Å; V214-I218 HydrophobicContact CG1-CD1 3.96Å; V214-I218 WeakPolarHBondContact O-CD1 3.44Å; V214-I218 WeakPolarHBondContact O-CG1 3.38Å; V214-I218 PolarHBondContact O-N 2.9Å; I215-I218 PolarHBondContact O-N 3.04Å; I218-L220 PolarHBondContact O-N 2.93Å; I218-G222 WeakPolarHBondContact O-CA 3.43Å; I218-G222 PolarHBondContact O-N 3.33Å; I218-Y223 WeakPolarHBondContact CG1-O 3.39Å; I218-P224 HydrophobicContact CD1-CB 4.42Å; I218-P224 HydrophobicContact CG1-CB 4.42Å; I218-F306 HydrophobicContact CB-CZ 4.43Å; I218-F306 HydrophobicContact CD1-CE1 4.15Å; I218-F306 HydrophobicContact CD1-CZ 3.74Å; I218-F306 HydrophobicContact CG1-CZ 3.93Å; I218-F306 HydrophobicContact CG2-CD2 4.36Å; I218-F306 HydrophobicContact CG2-CE2 3.47Å; I218-F306 VanDerWaalsContact CG2-CE2 3.47Å; I218-F306 HydrophobicContact CG2-CZ 3.58Å
219	L	96.2	Very high	94.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.4	-30	178.4	-73.1	170.8	0	0	0	112.4	L107 F108 I111 Y117 A122 L125 I126 I215 A216 Y217	L107-L219 HydrophobicContact CD1-CD2 4.1Å; L107-L219 HydrophobicContact CD2-CD2 4.07Å; L107-L219 HydrophobicContact CG-CD2 4.19Å; F108-L219 HydrophobicContact CE1-CD2 4.15Å; I111-L219 HydrophobicContact CD1-CD2 3.25Å; Y117-L219 VanDerWaalsContact CE1-O 3.25Å; Y117-L219 WeakPolarHBondContact CE1-O 3.29Å; Y117-L219 WeakPolarHBondContact OH-CD2 3.48Å; A122-L219 HydrophobicContact CB-CB 4.18Å; L125-L219 HydrophobicContact CD2-CD1 3.81Å; I126-L219 HydrophobicContact CD1-CD1 3.7Å; I126-L219 HydrophobicContact CG1-CD1 3.94Å; I215-L219 HydrophobicContact CG2-CD1 3.84Å; I215-L219 HydrophobicContact CG2-CG 4.26Å; I215-L219 WeakPolarHBondContact O-CB 3.46Å; I215-L219 VanDerWaalsContact O-CG 3.22Å; I215-L219 WeakPolarHBondContact O-CG 3.35Å; I215-L219 PolarHBondContact O-N 2.83Å; A216-L219 PolarHBondContact O-N 3.48Å; Y217-L219 VanDerWaalsContact C-N 3.31Å; Y217-L219 PolarHBondContact O-N 2.9Å
220	L	96.9	Very high	93.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-87.1	-28.1	-177.3	-67.7	177.7	0	0	0	114.2	E119 A122 A216 Y217 I218 W250 I253 A257 I261 W283 L294 V298	E119-L220 HydrophobicContact CB-CD2 4.33Å; E119-L220 HydrophobicContact CG-CD2 3.75Å; A122-L220 HydrophobicContact CB-CD2 3.73Å; A216-L220 WeakPolarHBondContact O-CG 3.5Å; A216-L220 PolarHBondContact O-N 3.15Å; Y217-L220 PolarHBondContact O-N 3.43Å; Y217-L220 VanDerWaalsContact O-N 3.13Å; I218-L220 PolarHBondContact O-N 2.93Å; L220-W250 HydrophobicContact CB-CH2 3.87Å; L220-W250 HydrophobicContact CB-CZ3 4.16Å; L220-W250 HydrophobicContact CD1-CH2 4.19Å; L220-W250 HydrophobicContact CD1-CZ3 4.07Å; L220-I253 HydrophobicContact CB-CD1 4.3Å; L220-I253 HydrophobicContact CD1-CG2 4Å; L220-A257 HydrophobicContact CD1-CB 3.7Å; L220-I261 HydrophobicContact CD1-CD1 3.8Å; L220-W283 HydrophobicContact CD1-CH2 4.28Å; L220-W283 HydrophobicContact CD1-CZ2 4.04Å; L220-W283 HydrophobicContact CD2-CH2 4.47Å; L220-W283 HydrophobicContact CD2-CZ2 3.98Å; L220-W283 HydrophobicContact CG-CZ2 4.44Å; L220-L294 HydrophobicContact CD2-CD1 4.17Å; L220-V298 VanDerWaalsContact O-CG2 3.26Å; L220-V298 WeakPolarHBondContact O-CG2 3.4Å
221	C	93.5	Very high	92.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-125.8	-15.2	-177.1	70.5	0	0	0	0	115.5	Y217 Y223 W250 F297 Q301	Y217-C221 WeakPolarHBondContact CE1-SG 3.5Å; Y217-C221 PolarHBondContact O-N 2.8Å; Y217-C221 PolarHBondContact O-SG 3.31Å; C221-Y223 HydrophobicContact CB-CD1 3.84Å; C221-Y223 HydrophobicContact CB-CE1 3.56Å; C221-Y223 WeakPolarHBondContact SG-CD1 3.39Å; C221-Y223 VanDerWaalsContact SG-CE1 3.51Å; C221-Y223 PolarHBondContact SG-O 3.01Å; C221-Y223 VanDerWaalsContact SG-O 3.37Å; C221-W250 HydrophobicContact CB-CZ2 3.86Å; C221-F297 HydrophobicContact CB-CE1 4.04Å; C221-F297 HydrophobicContact CB-CZ 4.34Å; C221-F297 WeakPolarHBondContact O-CE1 3.3Å; C221-F297 WeakPolarHBondContact O-CZ 3.49Å; C221-Q301 WeakPolarHBondContact O-CB 3.21Å
222	G	92.8	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	78.5	12.6	178.1	0	0	0	0	0	115.9	I218 Q301 I302 N305 F306	I218-G222 WeakPolarHBondContact O-CA 3.43Å; I218-G222 PolarHBondContact O-N 3.33Å; G222-Q301 CarbonylContact O-C 3.17Å; G222-Q301 VanDerWaalsContact O-CB 3.29Å; G222-Q301 WeakPolarHBondContact O-CB 3.13Å; G222-I302 PolarHBondContact O-N 3.4Å; G222-N305 PolarHBondContact O-ND2 2.84Å; G222-F306 WeakPolarHBondContact O-CE2 3.29Å
223	Y	91	Very high	91.9	Very high	28 Å²	28	30.3 Å²	30.3	11%	0.11	15%	0.147	C	C	.	.	S	Bend	trans	-135.3	154	173.2	65.4	-92.9	0	0	0	111.1	Y217 I218 C221 D246 Y249 W250 F297 N305	Y217-Y223 VanDerWaalsContact CD1-O 3.29Å; Y217-Y223 WeakPolarHBondContact CD1-O 3.47Å; Y217-Y223 HydrophobicContact CE1-CD2 4.02Å; Y217-Y223 AromaticContact CE1-CE2 3.85Å; Y217-Y223 HydrophobicContact CE1-CE2 3.85Å; Y217-Y223 WeakPolarHBondContact CE1-O 3.33Å; Y217-Y223 VanDerWaalsContact OH-CE2 3.28Å; Y217-Y223 WeakPolarHBondContact OH-CE2 3.28Å; Y217-Y223 PolarHBondContact OH-OH 2.81Å; I218-Y223 WeakPolarHBondContact CG1-O 3.39Å; C221-Y223 HydrophobicContact CB-CD1 3.84Å; C221-Y223 HydrophobicContact CB-CE1 3.56Å; C221-Y223 WeakPolarHBondContact SG-CD1 3.39Å; C221-Y223 VanDerWaalsContact SG-CE1 3.51Å; C221-Y223 PolarHBondContact SG-O 3.01Å; C221-Y223 VanDerWaalsContact SG-O 3.37Å; Y223-D246 PolarHBondContact OH-OD2 3.4Å; Y223-Y249 AromaticContact CE1-CD2 3.59Å; Y223-Y249 HydrophobicContact CE1-CD2 3.59Å; Y223-Y249 HydrophobicContact CE1-CE2 4.32Å; Y223-Y249 AromaticContact CE1-CG 3.92Å; Y223-Y249 HydrophobicContact CE1-CG 3.92Å; Y223-Y249 AromaticContact CZ-CD2 3.92Å; Y223-W250 AromaticContact CZ-NE1 3.83Å; Y223-W250 PolarHBondContact OH-NE1 3.41Å; Y223-F297 HydrophobicContact CD1-CZ 4.41Å; Y223-F297 HydrophobicContact CE1-CZ 4.24Å; Y223-N305 WeakPolarHBondContact CB-ND2 3.42Å
224	P	92.6	Very high	91.4	Very high	27 Å²	27	31 Å²	31	18%	0.175	15%	0.15	C	C	.	.			trans	-71.9	149.1	-178.8	30.2	-34.3	0	0	0	111.9	I218 F226 F306	I218-P224 HydrophobicContact CD1-CB 4.42Å; I218-P224 HydrophobicContact CG1-CB 4.42Å; P224-F226 VanDerWaalsContact C-N 3.27Å; P224-F226 PolarHBondContact O-N 3.33Å; P224-F306 HydrophobicContact CB-CZ 4.37Å; P224-F306 HydrophobicContact CG-CZ 4.39Å
225	P	94.5	Very high	90.9	Very high	13 Å²	13	33 Å²	33	8%	0.084	16%	0.159	C	C	.	.	S	Bend	trans	-68.8	-25.3	177.3	25.3	-31.4	0	0	0	113.4	V214 Y217 Y243 L265	V214-P225 HydrophobicContact CB-CG 4.41Å; V214-P225 HydrophobicContact CG1-CG 3.98Å; V214-P225 HydrophobicContact CG2-CG 4.25Å; Y217-P225 HydrophobicContact CD1-CB 3.75Å; Y217-P225 HydrophobicContact CD1-CG 4.05Å; Y217-P225 HydrophobicContact CD2-CB 3.81Å; Y217-P225 VanDerWaalsContact CE1-CA 3.5Å; Y217-P225 HydrophobicContact CE1-CB 3.87Å; Y217-P225 HydrophobicContact CE2-CB 3.95Å; Y217-P225 HydrophobicContact CG-CB 3.73Å; Y217-P225 HydrophobicContact CG-CG 4.03Å; P225-Y243 HydrophobicContact CB-CG 4.45Å; P225-L265 HydrophobicContact CB-CD1 4.24Å; P225-L265 HydrophobicContact CG-CD1 4.29Å
226	F	92.8	Very high	90.6	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.022	17%	0.172	C	C	.	.	S	Bend	trans	-120.8	122.9	178.9	-45.9	-70.1	0	0	0	108.5	W210 V214 P224 L234 Q237 I238 E242 Y243 L265	W210-F226 HydrophobicContact CH2-CE2 4Å; W210-F226 AromaticContact CH2-CZ 3.64Å; W210-F226 HydrophobicContact CH2-CZ 3.64Å; W210-F226 HydrophobicContact CZ2-CD2 4.34Å; W210-F226 AromaticContact CZ2-CE2 3.33Å; W210-F226 HydrophobicContact CZ2-CE2 3.33Å; W210-F226 AromaticContact CZ2-CZ 3.47Å; W210-F226 HydrophobicContact CZ2-CZ 3.47Å; W210-F226 VanDerWaalsContact CZ2-CZ 3.47Å; V214-F226 HydrophobicContact CG2-CE2 4.23Å; P224-F226 VanDerWaalsContact C-N 3.27Å; P224-F226 PolarHBondContact O-N 3.33Å; F226-L234 HydrophobicContact CB-CD1 3.75Å; F226-Q237 HydrophobicContact CD1-CB 4.16Å; F226-I238 HydrophobicContact CB-CG1 3.83Å; F226-I238 HydrophobicContact CD1-CG1 4.36Å; F226-I238 HydrophobicContact CD2-CG1 3.94Å; F226-I238 HydrophobicContact CG-CG1 3.77Å; F226-E242 WeakPolarHBondContact CD1-O 3.46Å; F226-E242 WeakPolarHBondContact CE1-O 3.25Å; F226-Y243 HydrophobicContact CE1-CD1 4.06Å; F226-Y243 HydrophobicContact CE1-CG 4.37Å; F226-Y243 HydrophobicContact CZ-CD1 4.05Å; F226-L265 HydrophobicContact CZ-CD1 4.5Å
227	Y	85.4	Confident	90.3	Very high	83 Å²	83	38.1 Å²	38.1	33%	0.325	18%	0.179	S	C	.	.			trans	-156.1	128.4	178.6	179.7	-101.6	0	0	0	109.4	Q237 F402	Y227-Q237 PolarHBondContact O-OE1 3.43Å; Y227-F402 HydrophobicContact CE2-CD2 4.26Å; Y227-F402 AromaticContact CE2-CE2 3.98Å; Y227-F402 HydrophobicContact CE2-CE2 3.98Å
228	D	86.2	Confident	90	Very high	53 Å²	53	38 Å²	38	28%	0.283	18%	0.179	S	C	.	.			trans	-148.5	155.1	167	-156.2	-77.3	0	0	0	108.4	N230 E233 L234	D228-N230 WeakPolarHBondContact OD1-CB 3.44Å; D228-N230 PolarHBondContact OD1-N 3.46Å; D228-E233 HydrophobicContact CB-CB 4.04Å; D228-E233 HydrophobicContact CB-CG 4.07Å; D228-E233 VanDerWaalsContact CG-CG 3.47Å; D228-E233 WeakPolarHBondContact OD2-CG 3.42Å; D228-L234 HydrophobicContact CB-CB 4.17Å
229	E	81.1	Confident	89.7	Confident	135 Å²	135	42.3 Å²	42.3	63%	0.631	20%	0.195	S	C	*	.	S	Bend	trans	-73.4	-24.1	172.5	-66.4	-176.1	172.5	0	0	111.2
230	N	84.6	Confident	89.5	Confident	92 Å²	92	47 Å²	47	49%	0.492	22%	0.218	S	C	.	.	S	Bend	trans	-97.5	116.7	176.9	-173.9	-32.1	0	0	0	110.5	D228 H232 E233 L234	D228-N230 WeakPolarHBondContact OD1-CB 3.44Å; D228-N230 PolarHBondContact OD1-N 3.46Å; N230-H232 PolarHBondContact O-N 3.42Å; N230-H232 VanDerWaalsContact OD1-CB 3.25Å; N230-H232 WeakPolarHBondContact OD1-CB 3.42Å; N230-H232 PolarHBondContact OD1-N 3.43Å; N230-E233 HydrophobicContact CB-CB 4.15Å; N230-E233 PolarHBondContact O-N 3.08Å; N230-L234 PolarHBondContact O-N 2.68Å
231	D	83.7	Confident	89.4	Confident	29 Å²	29	47.9 Å²	47.9	16%	0.155	23%	0.225	C	C	.	.	H	α-helix	trans	-53.4	-38.6	178	-77.2	-15.7	0	0	0	112.5	E233 L234 F235	D231-E233 VanDerWaalsContact C-N 3.32Å; D231-E233 PolarHBondContact O-N 3.41Å; D231-L234 PolarHBondContact O-N 3.43Å; D231-F235 HydrophobicContact CB-CD2 4.26Å; D231-F235 HydrophobicContact CB-CE2 4.02Å; D231-F235 WeakPolarHBondContact O-CB 3.31Å; D231-F235 WeakPolarHBondContact O-CD2 3.5Å; D231-F235 WeakPolarHBondContact O-CG 3.49Å; D231-F235 PolarHBondContact O-N 2.82Å
232	H	85.3	Confident	89.4	Confident	120 Å²	120	52.2 Å²	52.2	56%	0.556	25%	0.245	S	C	*	.	H	α-helix	trans	-62.4	-39.5	177.6	179.7	-86.2	0	0	0	112.1	N230 R236	N230-H232 PolarHBondContact O-N 3.42Å; N230-H232 VanDerWaalsContact OD1-CB 3.25Å; N230-H232 WeakPolarHBondContact OD1-CB 3.42Å; N230-H232 PolarHBondContact OD1-N 3.43Å; H232-R236 WeakPolarHBondContact O-CB 3.47Å; H232-R236 PolarHBondContact O-N 3.06Å
233	E	89.5	Confident	89.5	Confident	49 Å²	49	54.4 Å²	54.4	23%	0.229	25%	0.254	C	S	.	.	H	α-helix	trans	-74	-39.8	177.9	-175.3	55.2	-155	0	0	111.3	D228 N230 D231 F235 R236 Q237	D228-E233 HydrophobicContact CB-CB 4.04Å; D228-E233 HydrophobicContact CB-CG 4.07Å; D228-E233 VanDerWaalsContact CG-CG 3.47Å; D228-E233 WeakPolarHBondContact OD2-CG 3.42Å; N230-E233 HydrophobicContact CB-CB 4.15Å; N230-E233 PolarHBondContact O-N 3.08Å; D231-E233 VanDerWaalsContact C-N 3.32Å; D231-E233 PolarHBondContact O-N 3.41Å; E233-F235 PolarHBondContact O-N 2.8Å; E233-R236 CarbonylContact O-C 3.59Å; E233-R236 WeakPolarHBondContact O-CA 3.47Å; E233-R236 VanDerWaalsContact O-CB 3.3Å; E233-R236 WeakPolarHBondContact O-CB 3.38Å; E233-R236 PolarHBondContact O-N 2.98Å; E233-R236 IonicContact OE1-CZ 2.71Å; E233-R236 IonicContact OE1-NE 3.91Å; E233-R236 PolarHBondContact OE1-NE 3.39Å; E233-R236 IonicContact OE1-NH2 2.92Å; E233-R236 PolarHBondContact OE1-NH2 3.17Å; E233-R236 WeakPolarHBondContact OE2-CD 3.29Å; E233-R236 IonicContact OE2-CZ 3.58Å; E233-R236 IonicContact OE2-NE 2.74Å; E233-R236 PolarHBondContact OE2-NE 3.17Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 3.23Å
234	L	87.4	Confident	89.8	Confident	13 Å²	13	59.4 Å²	59.4	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-56.8	-49.7	171	175.6	58.4	0	0	0	111.5	P186 F226 D228 N230 D231 R236 Q237 I238	P186-L234 HydrophobicContact CB-CD2 4.22Å; P186-L234 HydrophobicContact CG-CD2 3.55Å; F226-L234 HydrophobicContact CB-CD1 3.75Å; D228-L234 HydrophobicContact CB-CB 4.17Å; N230-L234 PolarHBondContact O-N 2.68Å; D231-L234 PolarHBondContact O-N 3.43Å; L234-R236 VanDerWaalsContact C-N 3.25Å; L234-R236 PolarHBondContact O-N 3.43Å; L234-Q237 PolarHBondContact O-N 3.25Å; L234-I238 HydrophobicContact CD1-CD1 3.98Å; L234-I238 HydrophobicContact CD1-CG1 4.37Å; L234-I238 HydrophobicContact CG-CD1 4.02Å; L234-I238 VanDerWaalsContact O-CG1 3.29Å; L234-I238 WeakPolarHBondContact O-CG1 3.49Å; L234-I238 PolarHBondContact O-N 3.38Å
235	F	87.3	Confident	90	Very high	44 Å²	44	60.8 Å²	60.8	19%	0.193	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-27.7	175.7	-70.1	-55.6	0	0	0	112.5	P186 L194 D231 E233 I238 R239	P186-F235 HydrophobicContact CB-CD1 4.35Å; P186-F235 HydrophobicContact CB-CE1 3.55Å; P186-F235 HydrophobicContact CB-CZ 3.96Å; L194-F235 HydrophobicContact CD1-CD1 3.7Å; L194-F235 HydrophobicContact CD1-CE1 4.41Å; L194-F235 HydrophobicContact CD2-CD1 3.79Å; L194-F235 HydrophobicContact CD2-CE1 3.74Å; L194-F235 HydrophobicContact CG-CD1 4.37Å; D231-F235 HydrophobicContact CB-CD2 4.26Å; D231-F235 HydrophobicContact CB-CE2 4.02Å; D231-F235 WeakPolarHBondContact O-CB 3.31Å; D231-F235 WeakPolarHBondContact O-CD2 3.5Å; D231-F235 WeakPolarHBondContact O-CG 3.49Å; D231-F235 PolarHBondContact O-N 2.82Å; E233-F235 PolarHBondContact O-N 2.8Å; F235-I238 HydrophobicContact CD1-CD1 4.49Å; F235-R239 VanDerWaalsContact O-CB 3.28Å; F235-R239 WeakPolarHBondContact O-CB 3.32Å; F235-R239 VanDerWaalsContact O-CG 3.27Å; F235-R239 WeakPolarHBondContact O-CG 3.38Å; F235-R239 PolarHBondContact O-N 3.2Å; F235-R239 PolarHBondContact O-NE 2.9Å; F235-R239 VanDerWaalsContact O-NE 3.13Å
236	R	90.8	Very high	89.9	Confident	77 Å²	77	63 Å²	63	29%	0.291	29%	0.293	S	S	.	.	H	α-helix	trans	-67.6	-50.9	171.8	-169.3	-166	72.9	72.5	0.1	110.6	H232 E233 L234 I238 R239 M240 E242	H232-R236 WeakPolarHBondContact O-CB 3.47Å; H232-R236 PolarHBondContact O-N 3.06Å; E233-R236 CarbonylContact O-C 3.59Å; E233-R236 WeakPolarHBondContact O-CA 3.47Å; E233-R236 VanDerWaalsContact O-CB 3.3Å; E233-R236 WeakPolarHBondContact O-CB 3.38Å; E233-R236 PolarHBondContact O-N 2.98Å; E233-R236 IonicContact OE1-CZ 2.71Å; E233-R236 IonicContact OE1-NE 3.91Å; E233-R236 PolarHBondContact OE1-NE 3.39Å; E233-R236 IonicContact OE1-NH2 2.92Å; E233-R236 PolarHBondContact OE1-NH2 3.17Å; E233-R236 WeakPolarHBondContact OE2-CD 3.29Å; E233-R236 IonicContact OE2-CZ 3.58Å; E233-R236 IonicContact OE2-NE 2.74Å; E233-R236 PolarHBondContact OE2-NE 3.17Å; L234-R236 VanDerWaalsContact C-N 3.25Å; L234-R236 PolarHBondContact O-N 3.43Å; R236-I238 VanDerWaalsContact C-N 3.33Å; R236-I238 PolarHBondContact O-N 3.43Å; R236-R239 PolarHBondContact O-N 3.5Å; R236-M240 WeakPolarHBondContact O-CB 3.39Å; R236-M240 WeakPolarHBondContact O-CG 3.49Å; R236-M240 PolarHBondContact O-N 3.29Å; R236-E242 IonicContact CZ-OE2 2.66Å; R236-E242 VanDerWaalsContact CZ-OE2 3.27Å; R236-E242 IonicContact NH1-OE2 3.56Å; R236-E242 PolarHBondContact NH1-OE2 3.28Å; R236-E242 IonicContact NH2-OE1 2.92Å; R236-E242 IonicContact NH2-OE2 3.32Å; R236-E242 PolarHBondContact NH2-OE2 3.39Å
237	Q	91.4	Very high	89.8	Confident	30 Å²	30	66.9 Å²	66.9	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-55.5	-48.5	177.5	-70.3	173.6	2.9	0	0	110.8	F226 Y227 E233 L234 M240 A241 E242	F226-Q237 HydrophobicContact CD1-CB 4.16Å; Y227-Q237 PolarHBondContact O-OE1 3.43Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 3.23Å; L234-Q237 PolarHBondContact O-N 3.25Å; Q237-M240 CarbonylContact O-C 3.6Å; Q237-M240 PolarHBondContact O-N 3.44Å; Q237-A241 WeakPolarHBondContact O-CA 3.22Å; Q237-A241 PolarHBondContact O-N 3.41Å; Q237-E242 PolarHBondContact O-N 2.9Å
238	I	90.8	Very high	90.2	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-51.7	176.9	-63.1	163	0	0	0	110.5	P186 V189 P191 L194 W210 F226 L234 F235 R236 M240 A241	P186-I238 HydrophobicContact CB-CD1 4.33Å; P186-I238 WeakPolarHBondContact O-CD1 3.48Å; V189-I238 WeakPolarHBondContact O-CG2 3.22Å; P191-I238 HydrophobicContact CG-CG2 4.49Å; P191-I238 WeakPolarHBondContact CG-O 3.47Å; L194-I238 HydrophobicContact CD1-CB 3.97Å; L194-I238 HydrophobicContact CD1-CD1 4.49Å; L194-I238 HydrophobicContact CD1-CG2 3.54Å; W210-I238 HydrophobicContact CZ2-CG2 4.14Å; F226-I238 HydrophobicContact CB-CG1 3.83Å; F226-I238 HydrophobicContact CD1-CG1 4.36Å; F226-I238 HydrophobicContact CD2-CG1 3.94Å; F226-I238 HydrophobicContact CG-CG1 3.77Å; L234-I238 HydrophobicContact CD1-CD1 3.98Å; L234-I238 HydrophobicContact CD1-CG1 4.37Å; L234-I238 HydrophobicContact CG-CD1 4.02Å; L234-I238 VanDerWaalsContact O-CG1 3.29Å; L234-I238 WeakPolarHBondContact O-CG1 3.49Å; L234-I238 PolarHBondContact O-N 3.38Å; F235-I238 HydrophobicContact CD1-CD1 4.49Å; R236-I238 VanDerWaalsContact C-N 3.33Å; R236-I238 PolarHBondContact O-N 3.43Å; I238-M240 PolarHBondContact O-N 2.98Å; I238-M240 VanDerWaalsContact O-N 3.16Å; I238-A241 PolarHBondContact O-N 3.29Å
239	R	89.7	Confident	90.4	Very high	91 Å²	91	68.1 Å²	68.1	34%	0.343	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-29.9	178.8	-81.3	-178	-65.6	167.4	-3.7	113.4	L194 F235 R236 K267	L194-R239 HydrophobicContact CB-CG 4.26Å; L194-R239 HydrophobicContact CD1-CG 4.29Å; F235-R239 VanDerWaalsContact O-CB 3.28Å; F235-R239 WeakPolarHBondContact O-CB 3.32Å; F235-R239 VanDerWaalsContact O-CG 3.27Å; F235-R239 WeakPolarHBondContact O-CG 3.38Å; F235-R239 PolarHBondContact O-N 3.2Å; F235-R239 PolarHBondContact O-NE 2.9Å; F235-R239 VanDerWaalsContact O-NE 3.13Å; R236-R239 PolarHBondContact O-N 3.5Å; R239-K267 WeakPolarHBondContact O-CE 3.29Å; R239-K267 PolarHBondContact O-NZ 2.88Å
240	M	92.5	Very high	91.1	Very high	99 Å²	99	61.7 Å²	61.7	49%	0.488	30%	0.302	S	S	.	.	H	α-helix	trans	-89.6	-8.9	177.5	-63	-54.8	164.3	0	0	113.4	R236 Q237 I238 E242 K267	R236-M240 WeakPolarHBondContact O-CB 3.39Å; R236-M240 WeakPolarHBondContact O-CG 3.49Å; R236-M240 PolarHBondContact O-N 3.29Å; Q237-M240 CarbonylContact O-C 3.6Å; Q237-M240 PolarHBondContact O-N 3.44Å; I238-M240 PolarHBondContact O-N 2.98Å; I238-M240 VanDerWaalsContact O-N 3.16Å; M240-E242 HydrophobicContact CB-CB 4.19Å; M240-E242 PolarHBondContact O-N 3.04Å; M240-K267 PolarHBondContact SD-NZ 3.18Å
241	A	94.1	Very high	91.5	Very high	17 Å²	17	61.6 Å²	61.6	14%	0.14	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	43	-167.2	0	0	0	0	0	111.4	W210 Q237 I238 Y243 K267	W210-A241 HydrophobicContact CH2-CB 3.78Å; W210-A241 HydrophobicContact CZ3-CB 4.02Å; Q237-A241 WeakPolarHBondContact O-CA 3.22Å; Q237-A241 PolarHBondContact O-N 3.41Å; I238-A241 PolarHBondContact O-N 3.29Å; A241-Y243 WeakPolarHBondContact O-CD1 3.44Å; A241-Y243 PolarHBondContact O-N 3.5Å; A241-K267 HydrophobicContact CB-CB 3.82Å
242	E	94.3	Very high	91.8	Very high	91 Å²	91	64.8 Å²	64.8	43%	0.425	32%	0.319	S	S	.	.			trans	-89.3	101.6	-179.1	-171.7	173.8	-172.4	0	0	108.7	F226 R236 Q237 M240	F226-E242 WeakPolarHBondContact CD1-O 3.46Å; F226-E242 WeakPolarHBondContact CE1-O 3.25Å; R236-E242 IonicContact CZ-OE2 2.66Å; R236-E242 VanDerWaalsContact CZ-OE2 3.27Å; R236-E242 IonicContact NH1-OE2 3.56Å; R236-E242 PolarHBondContact NH1-OE2 3.28Å; R236-E242 IonicContact NH2-OE1 2.92Å; R236-E242 IonicContact NH2-OE2 3.32Å; R236-E242 PolarHBondContact NH2-OE2 3.39Å; Q237-E242 PolarHBondContact O-N 2.9Å; M240-E242 HydrophobicContact CB-CB 4.19Å; M240-E242 PolarHBondContact O-N 3.04Å
243	Y	95.5	Very high	92.3	Very high	47 Å²	47	59.3 Å²	59.3	18%	0.184	29%	0.293	C	S	.	.			trans	-141.7	156.6	175	67	-84.4	0	0	0	108.8	Y217 P225 F226 A241 F245 I261 S262 L265	Y217-Y243 HydrophobicContact CE2-CD2 4.21Å; P225-Y243 HydrophobicContact CB-CG 4.45Å; F226-Y243 HydrophobicContact CE1-CD1 4.06Å; F226-Y243 HydrophobicContact CE1-CG 4.37Å; F226-Y243 HydrophobicContact CZ-CD1 4.05Å; A241-Y243 WeakPolarHBondContact O-CD1 3.44Å; A241-Y243 PolarHBondContact O-N 3.5Å; Y243-F245 HydrophobicContact CE2-CE1 4.12Å; Y243-F245 HydrophobicContact CE2-CE2 4.07Å; Y243-F245 AromaticContact CE2-CZ 3.71Å; Y243-F245 HydrophobicContact CE2-CZ 3.71Å; Y243-I261 HydrophobicContact CE2-CG2 4.43Å; Y243-S262 VanDerWaalsContact OH-CA 3.24Å; Y243-S262 WeakPolarHBondContact OH-CA 3.28Å; Y243-S262 WeakPolarHBondContact OH-CB 3.36Å; Y243-S262 PolarHBondContact OH-OG 3.1Å; Y243-L265 HydrophobicContact CD1-CB 4.2Å; Y243-L265 HydrophobicContact CD1-CD1 3.98Å; Y243-L265 HydrophobicContact CD2-CD1 4.16Å; Y243-L265 HydrophobicContact CE1-CB 3.51Å; Y243-L265 HydrophobicContact CE1-CD1 3.93Å; Y243-L265 HydrophobicContact CE1-CG 4.38Å; Y243-L265 HydrophobicContact CE2-CD1 4.12Å; Y243-L265 HydrophobicContact CG-CD1 4.12Å
244	E	95.5	Very high	92.6	Very high	133 Å²	133	57.7 Å²	57.7	62%	0.621	29%	0.287	S	S	*	.			trans	-128.1	159.5	-179.1	-63.4	-170	175.5	0	0	110.8	Y217 D246	Y217-E244 PolarHBondContact OH-O 3.08Å; E244-D246 WeakPolarHBondContact CB-OD1 3.36Å
245	F	96.6	Very high	93.1	Very high	56 Å²	56	63.1 Å²	63.1	25%	0.246	32%	0.317	C	S	.	.			trans	-102.4	75.6	171.5	-64.1	-58.9	0	0	0	108.5	Y217 Y243 W250 K258 I261	Y217-F245 HydrophobicContact CD2-CD1 4.37Å; Y217-F245 AromaticContact CD2-CE1 3.99Å; Y217-F245 HydrophobicContact CD2-CE1 3.99Å; Y217-F245 AromaticContact CE2-CD1 3.87Å; Y217-F245 HydrophobicContact CE2-CD1 3.87Å; Y217-F245 AromaticContact CE2-CE1 3.93Å; Y217-F245 HydrophobicContact CE2-CE1 3.93Å; Y243-F245 HydrophobicContact CE2-CE1 4.12Å; Y243-F245 HydrophobicContact CE2-CE2 4.07Å; Y243-F245 AromaticContact CE2-CZ 3.71Å; Y243-F245 HydrophobicContact CE2-CZ 3.71Å; F245-W250 VanDerWaalsContact C-CD1 3.47Å; F245-W250 HydrophobicContact CB-CB 3.84Å; F245-W250 HydrophobicContact CB-CD2 3.98Å; F245-W250 HydrophobicContact CB-CE3 4.33Å; F245-W250 HydrophobicContact CB-CG 3.75Å; F245-W250 AromaticContact CD1-CD2 3.51Å; F245-W250 HydrophobicContact CD1-CD2 3.51Å; F245-W250 AromaticContact CD1-CE2 3.69Å; F245-W250 AromaticContact CD1-CE3 3.45Å; F245-W250 HydrophobicContact CD1-CE3 3.45Å; F245-W250 VanDerWaalsContact CD1-CE3 3.45Å; F245-W250 HydrophobicContact CD1-CG 4.18Å; F245-W250 AromaticContact CD1-CH2 3.84Å; F245-W250 HydrophobicContact CD1-CH2 3.84Å; F245-W250 AromaticContact CD1-CZ2 3.88Å; F245-W250 HydrophobicContact CD1-CZ2 3.88Å; F245-W250 AromaticContact CD1-CZ3 3.61Å; F245-W250 HydrophobicContact CD1-CZ3 3.61Å; F245-W250 HydrophobicContact CE1-CD2 4.42Å; F245-W250 HydrophobicContact CE1-CE3 4.04Å; F245-W250 AromaticContact CE1-CH2 3.82Å; F245-W250 HydrophobicContact CE1-CH2 3.82Å; F245-W250 HydrophobicContact CE1-CZ2 4.19Å; F245-W250 AromaticContact CE1-CZ3 3.71Å; F245-W250 HydrophobicContact CE1-CZ3 3.71Å; F245-W250 HydrophobicContact CG-CD2 4.17Å; F245-W250 HydrophobicContact CG-CE3 4.17Å; F245-W250 HydrophobicContact CG-CG 4.45Å; F245-K258 HydrophobicContact CB-CD 4.39Å; F245-K258 HydrophobicContact CD1-CG 4.16Å; F245-K258 HydrophobicContact CD2-CB 4.01Å; F245-K258 HydrophobicContact CD2-CD 4.14Å; F245-K258 HydrophobicContact CD2-CG 3.98Å; F245-K258 HydrophobicContact CE1-CB 4.36Å; F245-K258 HydrophobicContact CE1-CG 4.22Å; F245-K258 HydrophobicContact CE2-CB 3.65Å; F245-K258 HydrophobicContact CE2-CG 4.07Å; F245-K258 HydrophobicContact CG-CD 4.21Å; F245-K258 HydrophobicContact CG-CG 4.02Å; F245-K258 HydrophobicContact CZ-CB 3.83Å; F245-K258 HydrophobicContact CZ-CG 4.17Å; F245-K258 WeakPolarHBondContact CZ-O 3.17Å; F245-I261 HydrophobicContact CE1-CB 4.37Å; F245-I261 HydrophobicContact CE1-CD1 4.32Å; F245-I261 HydrophobicContact CE1-CG2 4.09Å; F245-I261 HydrophobicContact CZ-CB 4.16Å; F245-I261 HydrophobicContact CZ-CG2 4.02Å
246	D	92.7	Very high	93.6	Very high	58 Å²	58	62.2 Å²	62.2	31%	0.31	32%	0.315	S	S	.	.			trans	-65	138.1	-167.4	-46.3	-66.2	0	0	0	114.4	Y223 E244 Y249 W250	Y223-D246 PolarHBondContact OH-OD2 3.4Å; E244-D246 WeakPolarHBondContact CB-OD1 3.36Å; D246-Y249 PolarHBondContact O-N 3.21Å; D246-Y249 VanDerWaalsContact O-N 3.09Å; D246-W250 VanDerWaalsContact N-CD1 3.3Å; D246-W250 PolarHBondContact O-N 2.83Å
247	S	92.4	Very high	93.9	Very high	87 Å²	87	58.5 Å²	58.5	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	143.4	162.7	-62.3	0	0	0	0	110.5	D251	S247-D251 VanDerWaalsContact CB-OD1 3.31Å; S247-D251 WeakPolarHBondContact CB-OD1 3.43Å; S247-D251 PolarHBondContact OG-OD1 3.26Å
248	P	92.6	Very high	94.2	Very high	83 Å²	83	59 Å²	59	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.2	0.2	5.4	36.2	-35.8	0	0	0	114.1	W250	P248-W250 PolarHBondContact O-N 2.93Å
249	Y	90.3	Very high	94.6	Very high	80 Å²	80	62.7 Å²	62.7	31%	0.314	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-34.8	-166.4	-56.3	-46.8	0	0	0	113.4	Y223 D246 F297	Y223-Y249 AromaticContact CE1-CD2 3.59Å; Y223-Y249 HydrophobicContact CE1-CD2 3.59Å; Y223-Y249 HydrophobicContact CE1-CE2 4.32Å; Y223-Y249 AromaticContact CE1-CG 3.92Å; Y223-Y249 HydrophobicContact CE1-CG 3.92Å; Y223-Y249 AromaticContact CZ-CD2 3.92Å; D246-Y249 PolarHBondContact O-N 3.21Å; D246-Y249 VanDerWaalsContact O-N 3.09Å; Y249-F297 VanDerWaalsContact CB-CZ 3.41Å; Y249-F297 AromaticContact CD1-CD2 3.73Å; Y249-F297 HydrophobicContact CD1-CD2 3.73Å; Y249-F297 AromaticContact CD1-CE1 3.89Å; Y249-F297 HydrophobicContact CD1-CE1 3.89Å; Y249-F297 AromaticContact CD1-CE2 2.9Å; Y249-F297 HydrophobicContact CD1-CE2 2.9Å; Y249-F297 AromaticContact CD1-CZ 3.02Å; Y249-F297 HydrophobicContact CD1-CZ 3.02Å; Y249-F297 HydrophobicContact CD2-CZ 4.28Å; Y249-F297 AromaticContact CE1-CD2 3.95Å; Y249-F297 HydrophobicContact CE1-CD2 3.95Å; Y249-F297 AromaticContact CE1-CE2 3.18Å; Y249-F297 HydrophobicContact CE1-CE2 3.18Å; Y249-F297 AromaticContact CE1-CZ 3.76Å; Y249-F297 HydrophobicContact CE1-CZ 3.76Å; Y249-F297 HydrophobicContact CG-CE1 4.1Å; Y249-F297 AromaticContact CG-CE2 3.7Å; Y249-F297 HydrophobicContact CG-CE2 3.7Å; Y249-F297 AromaticContact CG-CZ 3.3Å; Y249-F297 HydrophobicContact CG-CZ 3.3Å
250	W	95.3	Very high	95	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-1.6	-177.7	-73.7	91.9	0	0	0	114.4	Y217 L220 C221 Y223 F245 D246 P248 N252 I253 K258 I261	Y217-W250 AromaticContact CD1-CZ2 3.93Å; Y217-W250 HydrophobicContact CD1-CZ2 3.93Å; Y217-W250 AromaticContact CD2-CH2 3.81Å; Y217-W250 HydrophobicContact CD2-CH2 3.81Å; Y217-W250 AromaticContact CD2-CZ2 3.41Å; Y217-W250 HydrophobicContact CD2-CZ2 3.41Å; Y217-W250 VanDerWaalsContact CD2-CZ2 3.41Å; Y217-W250 AromaticContact CE1-CZ2 3.84Å; Y217-W250 HydrophobicContact CE1-CZ2 3.84Å; Y217-W250 AromaticContact CE2-CE2 3.76Å; Y217-W250 HydrophobicContact CE2-CH2 4.06Å; Y217-W250 AromaticContact CE2-CZ2 3.28Å; Y217-W250 HydrophobicContact CE2-CZ2 3.28Å; Y217-W250 AromaticContact CE2-NE1 3.96Å; Y217-W250 HydrophobicContact CG-CH2 4.15Å; Y217-W250 AromaticContact CG-CZ2 3.72Å; Y217-W250 HydrophobicContact CG-CZ2 3.72Å; Y217-W250 AromaticContact CZ-CE2 3.76Å; Y217-W250 AromaticContact CZ-CZ2 3.5Å; Y217-W250 AromaticContact CZ-NE1 3.56Å; Y217-W250 PolarHBondContact OH-NE1 3.31Å; L220-W250 HydrophobicContact CB-CH2 3.87Å; L220-W250 HydrophobicContact CB-CZ3 4.16Å; L220-W250 HydrophobicContact CD1-CH2 4.19Å; L220-W250 HydrophobicContact CD1-CZ3 4.07Å; C221-W250 HydrophobicContact CB-CZ2 3.86Å; Y223-W250 AromaticContact CZ-NE1 3.83Å; Y223-W250 PolarHBondContact OH-NE1 3.41Å; F245-W250 VanDerWaalsContact C-CD1 3.47Å; F245-W250 HydrophobicContact CB-CB 3.84Å; F245-W250 HydrophobicContact CB-CD2 3.98Å; F245-W250 HydrophobicContact CB-CE3 4.33Å; F245-W250 HydrophobicContact CB-CG 3.75Å; F245-W250 AromaticContact CD1-CD2 3.51Å; F245-W250 HydrophobicContact CD1-CD2 3.51Å; F245-W250 AromaticContact CD1-CE2 3.69Å; F245-W250 AromaticContact CD1-CE3 3.45Å; F245-W250 HydrophobicContact CD1-CE3 3.45Å; F245-W250 VanDerWaalsContact CD1-CE3 3.45Å; F245-W250 HydrophobicContact CD1-CG 4.18Å; F245-W250 AromaticContact CD1-CH2 3.84Å; F245-W250 HydrophobicContact CD1-CH2 3.84Å; F245-W250 AromaticContact CD1-CZ2 3.88Å; F245-W250 HydrophobicContact CD1-CZ2 3.88Å; F245-W250 AromaticContact CD1-CZ3 3.61Å; F245-W250 HydrophobicContact CD1-CZ3 3.61Å; F245-W250 HydrophobicContact CE1-CD2 4.42Å; F245-W250 HydrophobicContact CE1-CE3 4.04Å; F245-W250 AromaticContact CE1-CH2 3.82Å; F245-W250 HydrophobicContact CE1-CH2 3.82Å; F245-W250 HydrophobicContact CE1-CZ2 4.19Å; F245-W250 AromaticContact CE1-CZ3 3.71Å; F245-W250 HydrophobicContact CE1-CZ3 3.71Å; F245-W250 HydrophobicContact CG-CD2 4.17Å; F245-W250 HydrophobicContact CG-CE3 4.17Å; F245-W250 HydrophobicContact CG-CG 4.45Å; D246-W250 VanDerWaalsContact N-CD1 3.3Å; D246-W250 PolarHBondContact O-N 2.83Å; P248-W250 PolarHBondContact O-N 2.93Å; W250-N252 PolarHBondContact O-N 3.04Å; W250-I253 HydrophobicContact CD2-CG1 4.42Å; W250-I253 HydrophobicContact CE3-CB 3.8Å; W250-I253 HydrophobicContact CE3-CG1 3.9Å; W250-I253 HydrophobicContact CE3-CG2 3.73Å; W250-I253 HydrophobicContact CZ3-CB 4.29Å; W250-I253 HydrophobicContact CZ3-CG1 4.4Å; W250-I253 HydrophobicContact CZ3-CG2 3.71Å; W250-I253 PolarHBondContact O-N 3.18Å; W250-K258 HydrophobicContact CE3-CG 3.97Å; W250-K258 HydrophobicContact CZ3-CG 4.2Å; W250-K258 WeakPolarHBondContact O-CE 3.46Å; W250-K258 PolarHBondContact O-NZ 2.76Å; W250-I261 HydrophobicContact CH2-CD1 3.54Å; W250-I261 HydrophobicContact CZ3-CD1 3.93Å
251	D	92.9	Very high	95.3	Very high	89 Å²	89	53.6 Å²	53.6	48%	0.476	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.6	-177.8	-67.4	-4.7	0	0	0	111.9	S247	S247-D251 VanDerWaalsContact CB-OD1 3.31Å; S247-D251 WeakPolarHBondContact CB-OD1 3.43Å; S247-D251 PolarHBondContact OG-OD1 3.26Å
252	N	91.2	Very high	95.5	Very high	97 Å²	97	54.7 Å²	54.7	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.9	-177.2	-69.5	-47.8	0	0	0	114.5	W250 R292	W250-N252 PolarHBondContact O-N 3.04Å; N252-R292 PolarHBondContact O-NH1 2.76Å
253	I	95.6	Very high	95.7	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.281	C	S	.	.	S	Bend	trans	-89.2	136.9	179.1	-55.6	-59.2	0	0	0	109.7	L220 W250 A257 K258 L294	L220-I253 HydrophobicContact CB-CD1 4.3Å; L220-I253 HydrophobicContact CD1-CG2 4Å; W250-I253 HydrophobicContact CD2-CG1 4.42Å; W250-I253 HydrophobicContact CE3-CB 3.8Å; W250-I253 HydrophobicContact CE3-CG1 3.9Å; W250-I253 HydrophobicContact CE3-CG2 3.73Å; W250-I253 HydrophobicContact CZ3-CB 4.29Å; W250-I253 HydrophobicContact CZ3-CG1 4.4Å; W250-I253 HydrophobicContact CZ3-CG2 3.71Å; W250-I253 PolarHBondContact O-N 3.18Å; I253-A257 HydrophobicContact CG2-CB 3.74Å; I253-K258 WeakPolarHBondContact O-CE 3.5Å; I253-L294 HydrophobicContact CD1-CD1 3.58Å; I253-L294 HydrophobicContact CD1-CD2 3.64Å; I253-L294 HydrophobicContact CD1-CG 4.27Å
254	S	96.3	Very high	95.8	Very high	15 Å²	15	50.7 Å²	50.7	11%	0.105	27%	0.272	C	S	.	.			trans	-62.3	148.4	-176.7	79.6	0	0	0	0	113.3	E119 S256 A257 K258	E119-S254 VanDerWaalsContact OE1-CB 3.27Å; E119-S254 WeakPolarHBondContact OE1-CB 3.4Å; E119-S254 PolarHBondContact OE1-OG 3.41Å; E119-S254 PolarHBondContact OE2-N 3.43Å; S254-S256 PolarHBondContact O-N 2.82Å; S254-A257 WeakPolarHBondContact O-CB 3.29Å; S254-A257 PolarHBondContact O-N 3.22Å; S254-A257 VanDerWaalsContact O-N 3.09Å; S254-A257 PolarHBondContact OG-N 2.82Å; S254-K258 PolarHBondContact O-N 2.95Å
255	D	96.7	Very high	95.9	Very high	127 Å²	127	44.5 Å²	44.5	68%	0.679	24%	0.244	S	C	*	.	H	α-helix	trans	-61.8	-29.4	172.7	-63.3	-34	0	0	0	111.5	K258 D259	D255-K258 PolarHBondContact O-N 2.97Å; D255-D259 VanDerWaalsContact O-CB 3.29Å; D255-D259 WeakPolarHBondContact O-CB 3.2Å; D255-D259 PolarHBondContact O-N 3Å
256	S	97.7	Very high	95.9	Very high	24 Å²	24	45 Å²	45	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-40	173.7	-170.5	0	0	0	0	111.9	S254 D259 F260 H281 W283 T288	S254-S256 PolarHBondContact O-N 2.82Å; S256-D259 PolarHBondContact O-N 2.93Å; S256-F260 WeakPolarHBondContact O-CB 3.44Å; S256-F260 PolarHBondContact O-N 2.82Å; S256-H281 PolarHBondContact O-CE1 2.85Å; S256-W283 WeakPolarHBondContact OG-CB 3.26Å; S256-W283 PolarHBondContact OG-N 3.45Å; S256-T288 WeakPolarHBondContact CB-OG1 3.4Å; S256-T288 PolarHBondContact OG-OG1 3.14Å
257	A	98	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-40.7	176.1	0	0	0	0	0	112	E119 L220 I253 S254 F260 I261 W283	E119-A257 HydrophobicContact CG-CB 4.5Å; L220-A257 HydrophobicContact CD1-CB 3.7Å; I253-A257 HydrophobicContact CG2-CB 3.74Å; S254-A257 WeakPolarHBondContact O-CB 3.29Å; S254-A257 PolarHBondContact O-N 3.22Å; S254-A257 VanDerWaalsContact O-N 3.09Å; S254-A257 PolarHBondContact OG-N 2.82Å; A257-F260 WeakPolarHBondContact O-CB 3.33Å; A257-F260 PolarHBondContact O-N 2.93Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 2.91Å; A257-W283 HydrophobicContact CB-CD2 4.16Å; A257-W283 HydrophobicContact CB-CG 4.21Å; A257-W283 HydrophobicContact CB-CZ2 4.18Å; A257-W283 VanDerWaalsContact CB-NE1 3.31Å
258	K	98.3	Very high	96	Very high	40 Å²	40	45.3 Å²	45.3	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-42.2	175.7	-65.7	173.5	-171.1	170.3	0	111.5	F245 W250 I253 S254 D255 I261 S262	F245-K258 HydrophobicContact CB-CD 4.39Å; F245-K258 HydrophobicContact CD1-CG 4.16Å; F245-K258 HydrophobicContact CD2-CB 4.01Å; F245-K258 HydrophobicContact CD2-CD 4.14Å; F245-K258 HydrophobicContact CD2-CG 3.98Å; F245-K258 HydrophobicContact CE1-CB 4.36Å; F245-K258 HydrophobicContact CE1-CG 4.22Å; F245-K258 HydrophobicContact CE2-CB 3.65Å; F245-K258 HydrophobicContact CE2-CG 4.07Å; F245-K258 HydrophobicContact CG-CD 4.21Å; F245-K258 HydrophobicContact CG-CG 4.02Å; F245-K258 HydrophobicContact CZ-CB 3.83Å; F245-K258 HydrophobicContact CZ-CG 4.17Å; F245-K258 WeakPolarHBondContact CZ-O 3.17Å; W250-K258 HydrophobicContact CE3-CG 3.97Å; W250-K258 HydrophobicContact CZ3-CG 4.2Å; W250-K258 WeakPolarHBondContact O-CE 3.46Å; W250-K258 PolarHBondContact O-NZ 2.76Å; I253-K258 WeakPolarHBondContact O-CE 3.5Å; S254-K258 PolarHBondContact O-N 2.95Å; D255-K258 PolarHBondContact O-N 2.97Å; K258-I261 PolarHBondContact O-N 3.09Å; K258-S262 WeakPolarHBondContact O-CB 3.38Å; K258-S262 PolarHBondContact O-N 2.92Å; K258-S262 PolarHBondContact O-OG 3.4Å
259	D	98.3	Very high	96	Very high	77 Å²	77	43.1 Å²	43.1	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-45.4	175.5	-171.3	57.1	0	0	0	111.4	D255 S256 I261 S262 H263 H281	D255-D259 VanDerWaalsContact O-CB 3.29Å; D255-D259 WeakPolarHBondContact O-CB 3.2Å; D255-D259 PolarHBondContact O-N 3Å; S256-D259 PolarHBondContact O-N 2.93Å; D259-I261 PolarHBondContact O-N 3.45Å; D259-S262 PolarHBondContact O-N 3.03Å; D259-H263 PolarHBondContact O-N 3.47Å; D259-H263 VanDerWaalsContact O-N 3.14Å; D259-H263 PolarHBondContact O-ND1 2.94Å; D259-H263 IonicContact OD1-CE1 2.88Å; D259-H263 PolarHBondContact OD1-CE1 2.9Å; D259-H263 VanDerWaalsContact OD1-CE1 3.26Å; D259-H263 IonicContact OD1-ND1 2.84Å; D259-H263 IonicContact OD2-CE1 3.94Å; D259-H263 PolarHBondContact OD2-CE1 3.25Å; D259-H263 IonicContact OD2-ND1 2.65Å; D259-H281 IonicContact OD2-CE1 3.85Å; D259-H281 IonicContact OD2-NE2 2.82Å; D259-H281 PolarHBondContact OD2-NE2 3.34Å
260	F	98.6	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-55	-51.1	174.7	174.3	-100.1	0	0	0	112.1	I126 L130 A216 S256 A257 S262 H263 L264 A278 H281 W283 I284	I126-F260 HydrophobicContact CG2-CE1 3.84Å; I126-F260 HydrophobicContact CG2-CZ 3.62Å; L130-F260 HydrophobicContact CD1-CE2 4.24Å; L130-F260 HydrophobicContact CD1-CZ 4.04Å; A216-F260 HydrophobicContact CB-CE1 4.02Å; S256-F260 WeakPolarHBondContact O-CB 3.44Å; S256-F260 PolarHBondContact O-N 2.82Å; A257-F260 WeakPolarHBondContact O-CB 3.33Å; A257-F260 PolarHBondContact O-N 2.93Å; F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 3.36Å; F260-H263 PolarHBondContact O-N 3Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CE1-CD1 3.55Å; F260-L264 HydrophobicContact CE2-CD1 4.16Å; F260-L264 HydrophobicContact CZ-CD1 3.45Å; F260-L264 VanDerWaalsContact CZ-CD1 3.45Å; F260-L264 HydrophobicContact CZ-CG 4.47Å; F260-L264 PolarHBondContact O-N 3.28Å; F260-A278 HydrophobicContact CE2-CB 3.92Å; F260-A278 HydrophobicContact CZ-CB 4.48Å; F260-H281 HydrophobicContact CD2-CB 3.83Å; F260-H281 AromaticContact CD2-CG 3.7Å; F260-H281 AromaticContact CD2-ND1 3.7Å; F260-H281 HydrophobicContact CE2-CB 4.39Å; F260-W283 HydrophobicContact CB-CB 4.02Å; F260-W283 HydrophobicContact CB-CD2 4.39Å; F260-W283 HydrophobicContact CB-CE3 4.09Å; F260-W283 HydrophobicContact CB-CG 4.38Å; F260-W283 HydrophobicContact CD1-CD2 4.41Å; F260-W283 AromaticContact CD1-CE3 3.41Å; F260-W283 HydrophobicContact CD1-CE3 3.41Å; F260-W283 VanDerWaalsContact CD1-CE3 3.41Å; F260-W283 AromaticContact CD1-CZ3 3.63Å; F260-W283 HydrophobicContact CD1-CZ3 3.63Å; F260-W283 HydrophobicContact CD2-CE3 4.17Å; F260-W283 AromaticContact CE1-CE3 3.81Å; F260-W283 HydrophobicContact CE1-CE3 3.81Å; F260-W283 AromaticContact CE1-CZ3 3.7Å; F260-W283 HydrophobicContact CE1-CZ3 3.7Å; F260-W283 HydrophobicContact CE2-CE3 4.48Å; F260-W283 HydrophobicContact CG-CB 4.44Å; F260-W283 HydrophobicContact CG-CD2 4.37Å; F260-W283 AromaticContact CG-CE3 3.61Å; F260-W283 HydrophobicContact CG-CE3 3.61Å; F260-W283 HydrophobicContact CG-CZ3 4.3Å; F260-W283 HydrophobicContact CZ-CE3 4.32Å; F260-W283 HydrophobicContact CZ-CZ3 4.4Å; F260-I284 HydrophobicContact CD2-CG1 4.07Å; F260-I284 HydrophobicContact CE2-CD1 4.16Å; F260-I284 HydrophobicContact CE2-CG1 3.59Å; F260-I284 HydrophobicContact CZ-CD1 4.16Å; F260-I284 HydrophobicContact CZ-CG1 4.09Å
261	I	98.5	Very high	96.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-41.2	179.3	-72.5	168	0	0	0	110.5	A216 Y217 L220 Y243 F245 W250 A257 K258 D259 H263 L264 L265	A216-I261 HydrophobicContact CB-CG1 4.1Å; Y217-I261 HydrophobicContact CD2-CG2 4.24Å; L220-I261 HydrophobicContact CD1-CD1 3.8Å; Y243-I261 HydrophobicContact CE2-CG2 4.43Å; F245-I261 HydrophobicContact CE1-CB 4.37Å; F245-I261 HydrophobicContact CE1-CD1 4.32Å; F245-I261 HydrophobicContact CE1-CG2 4.09Å; F245-I261 HydrophobicContact CZ-CB 4.16Å; F245-I261 HydrophobicContact CZ-CG2 4.02Å; W250-I261 HydrophobicContact CH2-CD1 3.54Å; W250-I261 HydrophobicContact CZ3-CD1 3.93Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 2.91Å; K258-I261 PolarHBondContact O-N 3.09Å; D259-I261 PolarHBondContact O-N 3.45Å; I261-H263 VanDerWaalsContact C-N 3.27Å; I261-H263 PolarHBondContact O-N 2.9Å; I261-L264 CarbonylContact O-C 3.6Å; I261-L264 PolarHBondContact O-N 3.05Å; I261-L265 HydrophobicContact CG2-CD1 3.59Å; I261-L265 HydrophobicContact CG2-CG 3.92Å; I261-L265 PolarHBondContact O-N 3.47Å
262	S	98.3	Very high	96.3	Very high	40 Å²	40	51.6 Å²	51.6	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-66.1	-29.3	-177.1	-56.5	0	0	0	0	113.6	Y243 K258 D259 F260	Y243-S262 VanDerWaalsContact OH-CA 3.24Å; Y243-S262 WeakPolarHBondContact OH-CA 3.28Å; Y243-S262 WeakPolarHBondContact OH-CB 3.36Å; Y243-S262 PolarHBondContact OH-OG 3.1Å; K258-S262 WeakPolarHBondContact O-CB 3.38Å; K258-S262 PolarHBondContact O-N 2.92Å; K258-S262 PolarHBondContact O-OG 3.4Å; D259-S262 PolarHBondContact O-N 3.03Å; F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 3.36Å
263	H	98.5	Very high	96.6	Very high	53 Å²	53	49.7 Å²	49.7	25%	0.245	24%	0.243	C	C	.	.	H	α-helix	trans	-72.9	-25.9	172.2	-72.8	98.5	0	0	0	113.5	D259 F260 I261 R272 Y273	D259-H263 PolarHBondContact O-N 3.47Å; D259-H263 VanDerWaalsContact O-N 3.14Å; D259-H263 PolarHBondContact O-ND1 2.94Å; D259-H263 IonicContact OD1-CE1 2.88Å; D259-H263 PolarHBondContact OD1-CE1 2.9Å; D259-H263 VanDerWaalsContact OD1-CE1 3.26Å; D259-H263 IonicContact OD1-ND1 2.84Å; D259-H263 IonicContact OD2-CE1 3.94Å; D259-H263 PolarHBondContact OD2-CE1 3.25Å; D259-H263 IonicContact OD2-ND1 2.65Å; F260-H263 PolarHBondContact O-N 3Å; I261-H263 VanDerWaalsContact C-N 3.27Å; I261-H263 PolarHBondContact O-N 2.9Å; H263-R272 WeakPolarHBondContact O-CA 3.35Å; H263-Y273 HydrophobicContact CB-CD1 3.84Å; H263-Y273 HydrophobicContact CB-CD2 3.55Å; H263-Y273 HydrophobicContact CB-CE1 4.06Å; H263-Y273 HydrophobicContact CB-CE2 3.76Å; H263-Y273 HydrophobicContact CB-CG 3.6Å; H263-Y273 AromaticContact CD2-CD1 3.78Å; H263-Y273 AromaticContact CD2-CE1 3.2Å; H263-Y273 WeakPolarHBondContact CD2-CE1 3.49Å; H263-Y273 AromaticContact CD2-CE2 3.9Å; H263-Y273 AromaticContact CD2-CZ 3.25Å; H263-Y273 PolarHBondContact CD2-OH 2.86Å; H263-Y273 AromaticContact CG-CE1 3.78Å; H263-Y273 AromaticContact CG-CE2 3.68Å; H263-Y273 AromaticContact CG-CZ 3.55Å; H263-Y273 AromaticContact NE2-CE1 3.95Å; H263-Y273 AromaticContact NE2-CZ 3.71Å; H263-Y273 PolarHBondContact NE2-OH 3.48Å; H263-Y273 PolarHBondContact O-N 3.44Å
264	L	98.2	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-90.4	-37.4	177.3	-68.9	179.8	0	0	0	113.2	C209 I212 F260 I261 Q266 R272 A278	C209-L264 HydrophobicContact CB-CD2 4Å; I212-L264 HydrophobicContact CB-CD1 4.47Å; I212-L264 HydrophobicContact CG2-CD1 3.97Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CE1-CD1 3.55Å; F260-L264 HydrophobicContact CE2-CD1 4.16Å; F260-L264 HydrophobicContact CZ-CD1 3.45Å; F260-L264 VanDerWaalsContact CZ-CD1 3.45Å; F260-L264 HydrophobicContact CZ-CG 4.47Å; F260-L264 PolarHBondContact O-N 3.28Å; I261-L264 CarbonylContact O-C 3.6Å; I261-L264 PolarHBondContact O-N 3.05Å; L264-Q266 PolarHBondContact O-N 3.34Å; L264-Q266 VanDerWaalsContact O-N 3.14Å; L264-R272 WeakPolarHBondContact O-CD 3.36Å; L264-R272 VanDerWaalsContact O-CG 3.23Å; L264-R272 WeakPolarHBondContact O-CG 3.45Å; L264-R272 PolarHBondContact O-NE 3.37Å; L264-A278 HydrophobicContact CD2-CB 4.15Å
265	L	97.7	Very high	96.8	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.253	C	S	.	.	S	Bend	trans	-83.3	30.2	172.5	-61.2	-173	0	0	0	112.2	W210 V214 P225 F226 Y243 I261	W210-L265 HydrophobicContact CD2-CD2 4.02Å; W210-L265 HydrophobicContact CE3-CD2 4.13Å; W210-L265 HydrophobicContact CH2-CD2 4.47Å; W210-L265 HydrophobicContact CZ2-CD2 4.36Å; W210-L265 HydrophobicContact CZ3-CB 4.31Å; W210-L265 HydrophobicContact CZ3-CD2 4.36Å; V214-L265 HydrophobicContact CG2-CD2 3.68Å; P225-L265 HydrophobicContact CB-CD1 4.24Å; P225-L265 HydrophobicContact CG-CD1 4.29Å; F226-L265 HydrophobicContact CZ-CD1 4.5Å; Y243-L265 HydrophobicContact CD1-CB 4.2Å; Y243-L265 HydrophobicContact CD1-CD1 3.98Å; Y243-L265 HydrophobicContact CD2-CD1 4.16Å; Y243-L265 HydrophobicContact CE1-CB 3.51Å; Y243-L265 HydrophobicContact CE1-CD1 3.93Å; Y243-L265 HydrophobicContact CE1-CG 4.38Å; Y243-L265 HydrophobicContact CE2-CD1 4.12Å; Y243-L265 HydrophobicContact CG-CD1 4.12Å; I261-L265 HydrophobicContact CG2-CD1 3.59Å; I261-L265 HydrophobicContact CG2-CG 3.92Å; I261-L265 PolarHBondContact O-N 3.47Å
266	Q	96.5	Very high	96.8	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.313	24%	0.241	S	C	.	.			trans	-75.7	125.4	173.7	175.2	56.4	-90.8	0	0	110.1	L264 D268 K271 R272	L264-Q266 PolarHBondContact O-N 3.34Å; L264-Q266 VanDerWaalsContact O-N 3.14Å; Q266-D268 WeakPolarHBondContact CG-O 3.3Å; Q266-D268 PolarHBondContact O-N 3.37Å; Q266-K271 HydrophobicContact CG-CB 3.69Å; Q266-R272 HydrophobicContact CB-CB 4.02Å; Q266-R272 HydrophobicContact CB-CG 4.25Å; Q266-R272 HydrophobicContact CG-CB 4.37Å; Q266-R272 PolarHBondContact O-NE 2.52Å; Q266-R272 PolarHBondContact O-NH2 2.86Å
267	K	94.2	Very high	96.9	Very high	93 Å²	93	51.3 Å²	51.3	40%	0.404	25%	0.252	S	S	.	.	S	Bend	trans	-58.8	-46.2	179.9	-179.3	172.5	174.5	163.2	0	112.8	R239 M240 A241 P269	R239-K267 WeakPolarHBondContact O-CE 3.29Å; R239-K267 PolarHBondContact O-NZ 2.88Å; M240-K267 PolarHBondContact SD-NZ 3.18Å; A241-K267 HydrophobicContact CB-CB 3.82Å; K267-P269 VanDerWaalsContact O-CD 3.28Å; K267-P269 WeakPolarHBondContact O-CD 3.3Å
268	D	91.9	Very high	96.9	Very high	58 Å²	58	51.3 Å²	51.3	31%	0.31	25%	0.252	S	S	.	.	S	Bend	trans	-79	111.3	178.7	-179	-3.3	0	0	0	109.9	Q266 K270 K271 R272	Q266-D268 WeakPolarHBondContact CG-O 3.3Å; Q266-D268 PolarHBondContact O-N 3.37Å; D268-K270 PolarHBondContact O-N 2.93Å; D268-K270 VanDerWaalsContact O-N 3.08Å; D268-K270 WeakPolarHBondContact OD1-CB 3.47Å; D268-K270 PolarHBondContact OD1-N 3.01Å; D268-K271 HydrophobicContact CB-CB 4.23Å; D268-K271 HydrophobicContact CB-CD 4.12Å; D268-K271 HydrophobicContact CB-CG 4.18Å; D268-K271 PolarHBondContact O-N 2.93Å; D268-K271 WeakPolarHBondContact OD2-CE 3.45Å; D268-R272 PolarHBondContact O-N 3.19Å
269	P	92.4	Very high	96.9	Very high	38 Å²	38	51 Å²	51	25%	0.247	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	-177.8	24	-34	0	0	0	112.6	E192 E206 K267 K271 R272	E192-P269 HydrophobicContact CG-CG 4.44Å; E206-P269 HydrophobicContact CB-CB 3.87Å; E206-P269 HydrophobicContact CG-CB 4.09Å; E206-P269 WeakPolarHBondContact CG-O 3.38Å; K267-P269 VanDerWaalsContact O-CD 3.28Å; K267-P269 WeakPolarHBondContact O-CD 3.3Å; P269-K271 VanDerWaalsContact C-N 3.3Å; P269-K271 PolarHBondContact O-N 2.85Å; P269-R272 PolarHBondContact O-N 2.76Å
270	K	92.2	Very high	96.8	Very high	196 Å²	196	53.9 Å²	53.9	85%	0.852	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.2	177.5	-63.1	-179.1	180	177.4	0	113.6	D268	D268-K270 PolarHBondContact O-N 2.93Å; D268-K270 VanDerWaalsContact O-N 3.08Å; D268-K270 WeakPolarHBondContact OD1-CB 3.47Å; D268-K270 PolarHBondContact OD1-N 3.01Å
271	K	95.8	Very high	96.8	Very high	142 Å²	142	54.2 Å²	54.2	62%	0.617	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-15.9	177.2	-64.6	-179.9	-172.5	175.7	0	112.3	Q266 D268 P269	Q266-K271 HydrophobicContact CG-CB 3.69Å; D268-K271 HydrophobicContact CB-CB 4.23Å; D268-K271 HydrophobicContact CB-CD 4.12Å; D268-K271 HydrophobicContact CB-CG 4.18Å; D268-K271 PolarHBondContact O-N 2.93Å; D268-K271 WeakPolarHBondContact OD2-CE 3.45Å; P269-K271 VanDerWaalsContact C-N 3.3Å; P269-K271 PolarHBondContact O-N 2.85Å
272	R	97.3	Very high	96.8	Very high	9 Å²	9	56.9 Å²	56.9	3%	0.034	28%	0.282	C	S	.	.	S	Bend	trans	-63.4	138.6	177.1	-166.8	179.7	-60.1	145.8	5.4	109.7	E192 E206 C209 H263 L264 Q266 D268 P269 S274	E192-R272 IonicContact OE1-CZ 2.65Å; E192-R272 IonicContact OE1-NH1 2.52Å; E192-R272 PolarHBondContact OE1-NH1 3.3Å; E192-R272 IonicContact OE1-NH2 3.89Å; E192-R272 IonicContact OE2-CZ 2.83Å; E192-R272 IonicContact OE2-NH1 2.79Å; E192-R272 PolarHBondContact OE2-NH1 2.65Å; E192-R272 IonicContact OE2-NH2 2.68Å; E192-R272 PolarHBondContact OE2-NH2 3.49Å; E206-R272 VanDerWaalsContact C-NH1 3.3Å; E206-R272 WeakPolarHBondContact O-CD 3.42Å; E206-R272 PolarHBondContact O-NH1 3.02Å; C209-R272 HydrophobicContact CB-CG 4.46Å; H263-R272 WeakPolarHBondContact O-CA 3.35Å; L264-R272 WeakPolarHBondContact O-CD 3.36Å; L264-R272 VanDerWaalsContact O-CG 3.23Å; L264-R272 WeakPolarHBondContact O-CG 3.45Å; L264-R272 PolarHBondContact O-NE 3.37Å; Q266-R272 HydrophobicContact CB-CB 4.02Å; Q266-R272 HydrophobicContact CB-CG 4.25Å; Q266-R272 HydrophobicContact CG-CB 4.37Å; Q266-R272 PolarHBondContact O-NE 2.52Å; Q266-R272 PolarHBondContact O-NH2 2.86Å; D268-R272 PolarHBondContact O-N 3.19Å; P269-R272 PolarHBondContact O-N 2.76Å; R272-S274 PolarHBondContact O-N 3.49Å
273	Y	98.1	Very high	96.7	Very high	56 Å²	56	55 Å²	55	22%	0.22	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.2	131.9	175.5	-88.4	14.5	0	0	0	111.1	C209 H263 Q277 H281	C209-Y273 WeakPolarHBondContact CB-O 3.4Å; C209-Y273 PolarHBondContact SG-O 2.97Å; H263-Y273 HydrophobicContact CB-CD1 3.84Å; H263-Y273 HydrophobicContact CB-CD2 3.55Å; H263-Y273 HydrophobicContact CB-CE1 4.06Å; H263-Y273 HydrophobicContact CB-CE2 3.76Å; H263-Y273 HydrophobicContact CB-CG 3.6Å; H263-Y273 AromaticContact CD2-CD1 3.78Å; H263-Y273 AromaticContact CD2-CE1 3.2Å; H263-Y273 WeakPolarHBondContact CD2-CE1 3.49Å; H263-Y273 AromaticContact CD2-CE2 3.9Å; H263-Y273 AromaticContact CD2-CZ 3.25Å; H263-Y273 PolarHBondContact CD2-OH 2.86Å; H263-Y273 AromaticContact CG-CE1 3.78Å; H263-Y273 AromaticContact CG-CE2 3.68Å; H263-Y273 AromaticContact CG-CZ 3.55Å; H263-Y273 AromaticContact NE2-CE1 3.95Å; H263-Y273 AromaticContact NE2-CZ 3.71Å; H263-Y273 PolarHBondContact NE2-OH 3.48Å; H263-Y273 PolarHBondContact O-N 3.44Å; Y273-Q277 HydrophobicContact CD1-CB 4.06Å; Y273-Q277 HydrophobicContact CD2-CB 3.91Å; Y273-Q277 HydrophobicContact CE1-CB 4.46Å; Y273-Q277 HydrophobicContact CE2-CB 4.35Å; Y273-Q277 HydrophobicContact CG-CB 3.75Å; Y273-H281 AromaticContact CE2-CD2 3.99Å
274	S	97.3	Very high	96.7	Very high	48 Å²	48	53.2 Å²	53.2	34%	0.336	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-68.3	163.3	161.4	62.4	0	0	0	0	110.6	R272 V276 Q277 A278	R272-S274 PolarHBondContact O-N 3.49Å; S274-V276 PolarHBondContact O-N 3.08Å; S274-Q277 PolarHBondContact O-N 3.34Å; S274-Q277 WeakPolarHBondContact OG-CG 3.42Å; S274-Q277 PolarHBondContact OG-N 3.36Å; S274-Q277 PolarHBondContact OG-OE1 2.95Å; S274-A278 WeakPolarHBondContact O-CB 3.48Å; S274-A278 PolarHBondContact O-N 3.44Å
275	C	97.9	Very high	96.6	Very high	2 Å²	2	56 Å²	56	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-34.1	175.1	-60.6	0	0	0	0	112.7	L130 T133 E134 C209 A278 L279	L130-C275 HydrophobicContact CD2-CB 4.14Å; T133-C275 VanDerWaalsContact CG2-SG 3.58Å; E134-C275 HydrophobicContact CB-CB 3.67Å; E134-C275 HydrophobicContact CG-CB 4.21Å; C209-C275 VanDerWaalsContact SG-SG 3.68Å; C275-A278 PolarHBondContact O-N 3.23Å; C275-L279 WeakPolarHBondContact O-CB 3.32Å; C275-L279 WeakPolarHBondContact O-CD1 3.46Å; C275-L279 WeakPolarHBondContact O-CG 3.09Å; C275-L279 PolarHBondContact O-N 3.17Å
276	V	97.8	Very high	95.8	Very high	70 Å²	70	59.7 Å²	59.7	42%	0.424	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-50.6	176.7	179.6	0	0	0	0	110.8	E134 S274 A278 L279 E280	E134-V276 HydrophobicContact CG-CG2 3.87Å; S274-V276 PolarHBondContact O-N 3.08Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 2.89Å; V276-L279 PolarHBondContact O-N 2.97Å; V276-E280 WeakPolarHBondContact O-CG 3.44Å; V276-E280 PolarHBondContact O-N 3.37Å
277	Q	98.2	Very high	95	Very high	85 Å²	85	61.8 Å²	61.8	40%	0.397	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-39.6	177.6	-68.9	165.2	-60.9	0	0	111.9	Y273 S274 L279 E280 H281	Y273-Q277 HydrophobicContact CD1-CB 4.06Å; Y273-Q277 HydrophobicContact CD2-CB 3.91Å; Y273-Q277 HydrophobicContact CE1-CB 4.46Å; Y273-Q277 HydrophobicContact CE2-CB 4.35Å; Y273-Q277 HydrophobicContact CG-CB 3.75Å; S274-Q277 PolarHBondContact O-N 3.34Å; S274-Q277 WeakPolarHBondContact OG-CG 3.42Å; S274-Q277 PolarHBondContact OG-N 3.36Å; S274-Q277 PolarHBondContact OG-OE1 2.95Å; Q277-L279 PolarHBondContact O-N 3.31Å; Q277-E280 PolarHBondContact O-N 3.13Å; Q277-H281 PolarHBondContact O-N 3.45Å
278	A	98.4	Very high	94.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-36	177.2	0	0	0	0	0	112.5	L130 F260 L264 S274 C275 V276 E280 H281 I284	L130-A278 HydrophobicContact CD1-CB 3.89Å; L130-A278 HydrophobicContact CD2-CB 3.69Å; L130-A278 HydrophobicContact CG-CB 4.48Å; F260-A278 HydrophobicContact CE2-CB 3.92Å; F260-A278 HydrophobicContact CZ-CB 4.48Å; L264-A278 HydrophobicContact CD2-CB 4.15Å; S274-A278 WeakPolarHBondContact O-CB 3.48Å; S274-A278 PolarHBondContact O-N 3.44Å; C275-A278 PolarHBondContact O-N 3.23Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 2.89Å; A278-E280 VanDerWaalsContact C-N 3.27Å; A278-E280 PolarHBondContact O-N 3.34Å; A278-H281 VanDerWaalsContact O-CB 3.3Å; A278-H281 WeakPolarHBondContact O-CB 3.46Å; A278-H281 PolarHBondContact O-N 3.04Å; A278-I284 WeakPolarHBondContact O-CG1 3.38Å
279	L	98	Very high	94.9	Very high	34 Å²	34	57.2 Å²	57.2	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-28.3	174.4	-77.1	165.6	0	0	0	112.9	R127 L130 L131 E134 C275 V276 Q277 I284	R127-L279 HydrophobicContact CG-CD2 4.12Å; L130-L279 HydrophobicContact CB-CD1 4.49Å; L130-L279 HydrophobicContact CB-CD2 3.64Å; L130-L279 HydrophobicContact CB-CG 3.87Å; L130-L279 HydrophobicContact CD1-CD2 4.21Å; L130-L279 HydrophobicContact CD1-CG 4.33Å; L131-L279 HydrophobicContact CD2-CD1 4.01Å; L131-L279 HydrophobicContact CD2-CD2 4.03Å; L131-L279 HydrophobicContact CG-CD2 3.96Å; E134-L279 HydrophobicContact CB-CD1 4.28Å; E134-L279 HydrophobicContact CG-CD1 4.41Å; C275-L279 WeakPolarHBondContact O-CB 3.32Å; C275-L279 WeakPolarHBondContact O-CD1 3.46Å; C275-L279 WeakPolarHBondContact O-CG 3.09Å; C275-L279 PolarHBondContact O-N 3.17Å; V276-L279 PolarHBondContact O-N 2.97Å; Q277-L279 PolarHBondContact O-N 3.31Å; L279-I284 HydrophobicContact CD2-CG2 4.39Å
280	E	97.7	Very high	95	Very high	137 Å²	137	57.8 Å²	57.8	64%	0.64	31%	0.307	S	S	*	.	H	α-helix	trans	-84.2	-12.4	177.1	-68.2	175.2	172	0	0	113.1	V276 Q277 A278	V276-E280 WeakPolarHBondContact O-CG 3.44Å; V276-E280 PolarHBondContact O-N 3.37Å; Q277-E280 PolarHBondContact O-N 3.13Å; A278-E280 VanDerWaalsContact C-N 3.27Å; A278-E280 PolarHBondContact O-N 3.34Å
281	H	98.4	Very high	95	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.032	29%	0.291	C	S	.	.	S	Bend	trans	-61.9	138.9	-177.4	-172.4	-87	0	0	0	111.9	S256 D259 F260 Y273 Q277 A278 W283 I284 A285	S256-H281 PolarHBondContact O-CE1 2.85Å; D259-H281 IonicContact OD2-CE1 3.85Å; D259-H281 IonicContact OD2-NE2 2.82Å; D259-H281 PolarHBondContact OD2-NE2 3.34Å; F260-H281 HydrophobicContact CD2-CB 3.83Å; F260-H281 AromaticContact CD2-CG 3.7Å; F260-H281 AromaticContact CD2-ND1 3.7Å; F260-H281 HydrophobicContact CE2-CB 4.39Å; Y273-H281 AromaticContact CE2-CD2 3.99Å; Q277-H281 PolarHBondContact O-N 3.45Å; A278-H281 VanDerWaalsContact O-CB 3.3Å; A278-H281 WeakPolarHBondContact O-CB 3.46Å; A278-H281 PolarHBondContact O-N 3.04Å; H281-W283 VanDerWaalsContact ND1-CB 3.3Å; H281-W283 WeakPolarHBondContact ND1-CB 3.43Å; H281-W283 PolarHBondContact ND1-N 3.21Å; H281-W283 VanDerWaalsContact ND1-N 3.13Å; H281-W283 PolarHBondContact O-N 3.49Å; H281-I284 WeakPolarHBondContact O-CA 3.17Å; H281-I284 PolarHBondContact O-N 2.84Å; H281-A285 PolarHBondContact O-N 2.85Å
282	P	97.2	Very high	94.7	Very high	57 Å²	57	52.3 Å²	52.3	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-54.9	-30.1	-176.2	-29.6	36	0	0	0	115.6	I284 S286 T288	P282-I284 VanDerWaalsContact C-N 3.27Å; P282-I284 PolarHBondContact O-N 3.43Å; P282-S286 CarbonylContact O-C 3.55Å; P282-S286 WeakPolarHBondContact O-CA 3.17Å; P282-S286 PolarHBondContact O-N 3.31Å; P282-T288 HydrophobicContact CB-CG2 3.98Å; P282-T288 PolarHBondContact O-OG1 3.45Å
283	W	97.7	Very high	94.4	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-31.5	174.5	-166.6	64.2	0	0	0	113.6	E119 A122 S123 I126 L220 S256 A257 F260 H281 T288	E119-W283 HydrophobicContact CG-CZ2 3.92Å; E119-W283 PolarHBondContact OE1-NE1 3.03Å; A122-W283 HydrophobicContact CB-CH2 4.25Å; A122-W283 HydrophobicContact CB-CZ2 4.37Å; S123-W283 PolarHBondContact OG-O 3.35Å; I126-W283 HydrophobicContact CB-CZ3 4.28Å; I126-W283 HydrophobicContact CG1-CH2 4.49Å; I126-W283 HydrophobicContact CG1-CZ3 4.33Å; I126-W283 HydrophobicContact CG2-CZ3 4.33Å; L220-W283 HydrophobicContact CD1-CH2 4.28Å; L220-W283 HydrophobicContact CD1-CZ2 4.04Å; L220-W283 HydrophobicContact CD2-CH2 4.47Å; L220-W283 HydrophobicContact CD2-CZ2 3.98Å; L220-W283 HydrophobicContact CG-CZ2 4.44Å; S256-W283 WeakPolarHBondContact OG-CB 3.26Å; S256-W283 PolarHBondContact OG-N 3.45Å; A257-W283 HydrophobicContact CB-CD2 4.16Å; A257-W283 HydrophobicContact CB-CG 4.21Å; A257-W283 HydrophobicContact CB-CZ2 4.18Å; A257-W283 VanDerWaalsContact CB-NE1 3.31Å; F260-W283 HydrophobicContact CB-CB 4.02Å; F260-W283 HydrophobicContact CB-CD2 4.39Å; F260-W283 HydrophobicContact CB-CE3 4.09Å; F260-W283 HydrophobicContact CB-CG 4.38Å; F260-W283 HydrophobicContact CD1-CD2 4.41Å; F260-W283 AromaticContact CD1-CE3 3.41Å; F260-W283 HydrophobicContact CD1-CE3 3.41Å; F260-W283 VanDerWaalsContact CD1-CE3 3.41Å; F260-W283 AromaticContact CD1-CZ3 3.63Å; F260-W283 HydrophobicContact CD1-CZ3 3.63Å; F260-W283 HydrophobicContact CD2-CE3 4.17Å; F260-W283 AromaticContact CE1-CE3 3.81Å; F260-W283 HydrophobicContact CE1-CE3 3.81Å; F260-W283 AromaticContact CE1-CZ3 3.7Å; F260-W283 HydrophobicContact CE1-CZ3 3.7Å; F260-W283 HydrophobicContact CE2-CE3 4.48Å; F260-W283 HydrophobicContact CG-CB 4.44Å; F260-W283 HydrophobicContact CG-CD2 4.37Å; F260-W283 AromaticContact CG-CE3 3.61Å; F260-W283 HydrophobicContact CG-CE3 3.61Å; F260-W283 HydrophobicContact CG-CZ3 4.3Å; F260-W283 HydrophobicContact CZ-CE3 4.32Å; F260-W283 HydrophobicContact CZ-CZ3 4.4Å; H281-W283 VanDerWaalsContact ND1-CB 3.3Å; H281-W283 WeakPolarHBondContact ND1-CB 3.43Å; H281-W283 PolarHBondContact ND1-N 3.21Å; H281-W283 VanDerWaalsContact ND1-N 3.13Å; H281-W283 PolarHBondContact O-N 3.49Å; W283-T288 WeakPolarHBondContact CA-OG1 3.41Å; W283-T288 PolarHBondContact N-OG1 3.28Å; W283-T288 VanDerWaalsContact N-OG1 3.17Å
284	I	97.6	Very high	94.2	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-97.2	-43.3	178.8	-59.6	-60.6	0	0	0	111.4	I126 R127 L130 F260 A278 L279 H281 P282	I126-I284 HydrophobicContact CB-CD1 4.3Å; I126-I284 HydrophobicContact CG2-CD1 3.92Å; R127-I284 HydrophobicContact CB-CG2 3.88Å; R127-I284 HydrophobicContact CG-CG2 3.71Å; L130-I284 HydrophobicContact CD1-CD1 4.41Å; L130-I284 HydrophobicContact CD1-CG1 4.22Å; F260-I284 HydrophobicContact CD2-CG1 4.07Å; F260-I284 HydrophobicContact CE2-CD1 4.16Å; F260-I284 HydrophobicContact CE2-CG1 3.59Å; F260-I284 HydrophobicContact CZ-CD1 4.16Å; F260-I284 HydrophobicContact CZ-CG1 4.09Å; A278-I284 WeakPolarHBondContact O-CG1 3.38Å; L279-I284 HydrophobicContact CD2-CG2 4.39Å; H281-I284 WeakPolarHBondContact O-CA 3.17Å; H281-I284 PolarHBondContact O-N 2.84Å; P282-I284 VanDerWaalsContact C-N 3.27Å; P282-I284 PolarHBondContact O-N 3.43Å
285	A	95.3	Very high	94	Very high	60 Å²	60	54.6 Å²	54.6	50%	0.496	29%	0.294	S	S	.	.	H	α-helix	trans	-93.8	-29.3	-169.4	0	0	0	0	0	115.2	H281	H281-A285 PolarHBondContact O-N 2.85Å
286	S	82.5	Confident	93.7	Very high	79 Å²	79	58.2 Å²	58.2	55%	0.552	32%	0.318	S	S	*	.	S	Bend	trans	-123.6	27.2	-162	-52.2	0	0	0	0	114.6	P282 T288	P282-S286 CarbonylContact O-C 3.55Å; P282-S286 WeakPolarHBondContact O-CA 3.17Å; P282-S286 PolarHBondContact O-N 3.31Å; S286-T288 PolarHBondContact O-N 3.36Å; S286-T288 VanDerWaalsContact O-N 3.11Å
287	N	79.7	Confident	93.4	Very high	111 Å²	111	57.1 Å²	57.1	59%	0.594	31%	0.307	S	S	*	.	S	Bend	trans	52.7	31.7	174.7	-160.3	41.1	0	0	0	115.1	R120	R120-N287 PolarHBondContact NE-OD1 2.87Å; R120-N287 PolarHBondContact NH2-OD1 3.18Å
288	T	92	Very high	93.1	Very high	51 Å²	51	53.1 Å²	53.1	31%	0.313	29%	0.288	S	S	.	.			trans	-78.8	-11	173.8	58.2	0	0	0	0	112.7	S256 P282 W283 S286	S256-T288 WeakPolarHBondContact CB-OG1 3.4Å; S256-T288 PolarHBondContact OG-OG1 3.14Å; P282-T288 HydrophobicContact CB-CG2 3.98Å; P282-T288 PolarHBondContact O-OG1 3.45Å; W283-T288 WeakPolarHBondContact CA-OG1 3.41Å; W283-T288 PolarHBondContact N-OG1 3.28Å; W283-T288 VanDerWaalsContact N-OG1 3.17Å; S286-T288 PolarHBondContact O-N 3.36Å; S286-T288 VanDerWaalsContact O-N 3.11Å
289	A	91.6	Very high	92.8	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	29%	0.291	C	S	.	.	S	Bend	trans	-66.9	129	173.7	0	0	0	0	0	111.6	E119 R120	E119-A289 HydrophobicContact CG-CB 4.38Å; E119-A289 WeakPolarHBondContact OE1-CA 3.25Å; R120-A289 HydrophobicContact CB-CB 4.33Å
290	L	93.5	Very high	92.6	Very high	51 Å²	51	57.3 Å²	57.3	27%	0.267	31%	0.308	S	S	.	.			trans	-80.7	148.6	-173.7	-56.2	176.9	0	0	0	112.9	E119 R120 R292	E119-L290 HydrophobicContact CB-CB 4.34Å; E119-L290 WeakPolarHBondContact CB-O 3.47Å; E119-L290 PolarHBondContact N-O 2.91Å; R120-L290 PolarHBondContact N-O 3.12Å; R120-L290 VanDerWaalsContact N-O 3.16Å; L290-R292 HydrophobicContact CB-CB 4.47Å; L290-R292 HydrophobicContact CB-CG 4.16Å; L290-R292 PolarHBondContact O-N 2.91Å
291	D	92.6	Very high	92.3	Very high	97 Å²	97	51.4 Å²	51.4	52%	0.519	28%	0.28	S	S	.	.			trans	-87.5	20.9	172.3	-68	-49.2	0	0	0	112.8	R120	R120-D291 WeakPolarHBondContact CD-OD1 3.41Å; R120-D291 IonicContact CZ-OD1 3.44Å; R120-D291 IonicContact CZ-OD2 3.46Å; R120-D291 IonicContact NE-OD1 3.4Å; R120-D291 PolarHBondContact NE-OD1 3.27Å; R120-D291 IonicContact NH1-OD1 3.68Å; R120-D291 PolarHBondContact NH1-OD1 2.78Å; R120-D291 IonicContact NH1-OD2 2.81Å; R120-D291 PolarHBondContact NH1-OD2 3.34Å; R120-D291 VanDerWaalsContact NH2-CG 3.32Å; R120-D291 IonicContact NH2-OD1 3.26Å; R120-D291 PolarHBondContact NH2-OD1 3.12Å; R120-D291 IonicContact NH2-OD2 3.36Å; R120-D291 PolarHBondContact NH2-OD2 2.8Å
292	R	89.2	Confident	92	Very high	126 Å²	126	51 Å²	51	48%	0.475	28%	0.279	S	S	.	.			trans	-70.5	137.6	179.2	-69.4	178.2	-180	176.7	-2.5	109.5	T118 N252 L290 L294	T118-R292 WeakPolarHBondContact CA-O 3.46Å; T118-R292 WeakPolarHBondContact CB-O 3.5Å; T118-R292 WeakPolarHBondContact CG2-O 3.44Å; N252-R292 PolarHBondContact O-NH1 2.76Å; L290-R292 HydrophobicContact CB-CB 4.47Å; L290-R292 HydrophobicContact CB-CG 4.16Å; L290-R292 PolarHBondContact O-N 2.91Å; R292-L294 PolarHBondContact O-N 2.93Å
293	D	92	Very high	91.6	Very high	101 Å²	101	53.6 Å²	53.6	54%	0.54	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-72	109.9	175.7	-174.7	21.3	0	0	0	110.2	Y295	D293-Y295 WeakPolarHBondContact OD1-CB 3.48Å; D293-Y295 PolarHBondContact OD1-N 3.35Å
294	L	93.3	Very high	91.2	Very high	13 Å²	13	58.1 Å²	58.1	7%	0.068	30%	0.3	C	S	.	.			trans	-96.5	-9.7	175.3	-56.7	-176.4	0	0	0	111.5	Y117 E119 L220 I253 R292 F297 V298	Y117-L294 HydrophobicContact CD1-CB 4.44Å; Y117-L294 PolarHBondContact O-N 3.41Å; E119-L294 HydrophobicContact CB-CD1 4.09Å; L220-L294 HydrophobicContact CD2-CD1 4.17Å; I253-L294 HydrophobicContact CD1-CD1 3.58Å; I253-L294 HydrophobicContact CD1-CD2 3.64Å; I253-L294 HydrophobicContact CD1-CG 4.27Å; R292-L294 PolarHBondContact O-N 2.93Å; L294-F297 PolarHBondContact O-N 2.84Å; L294-V298 HydrophobicContact CB-CG2 3.83Å; L294-V298 WeakPolarHBondContact O-CB 3.3Å; L294-V298 WeakPolarHBondContact O-CG2 3.31Å; L294-V298 PolarHBondContact O-N 2.71Å
295	Y	93	Very high	90.6	Very high	46 Å²	46	58.9 Å²	58.9	18%	0.18	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-47.4	-168.4	178.5	-98.5	0	0	0	114.7	I111 V112 Y117 D293 F297 S299	I111-Y295 WeakPolarHBondContact O-CE2 3.36Å; V112-Y295 PolarHBondContact O-OH 3.09Å; Y117-Y295 PolarHBondContact O-N 2.94Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.48Å; D293-Y295 PolarHBondContact OD1-N 3.35Å; Y295-F297 VanDerWaalsContact C-N 3.29Å; Y295-F297 PolarHBondContact O-N 3.18Å; Y295-S299 WeakPolarHBondContact O-CB 3.42Å; Y295-S299 PolarHBondContact O-N 2.9Å; Y295-S299 PolarHBondContact O-OG 3.03Å
296	P	91	Very high	90.1	Very high	79 Å²	79	57.5 Å²	57.5	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-44.5	-175.1	-25.3	35.2	0	0	0	112.2	E300	P296-E300 WeakPolarHBondContact O-CB 3.46Å
297	F	92.3	Very high	90.1	Very high	47 Å²	47	54 Å²	54	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-78.5	-50.7	-177.8	164.6	-114.2	0	0	0	112.2	C221 Y223 Y249 L294 Y295 S299 E300 Q301	C221-F297 HydrophobicContact CB-CE1 4.04Å; C221-F297 HydrophobicContact CB-CZ 4.34Å; C221-F297 WeakPolarHBondContact O-CE1 3.3Å; C221-F297 WeakPolarHBondContact O-CZ 3.49Å; Y223-F297 HydrophobicContact CD1-CZ 4.41Å; Y223-F297 HydrophobicContact CE1-CZ 4.24Å; Y249-F297 VanDerWaalsContact CB-CZ 3.41Å; Y249-F297 AromaticContact CD1-CD2 3.73Å; Y249-F297 HydrophobicContact CD1-CD2 3.73Å; Y249-F297 AromaticContact CD1-CE1 3.89Å; Y249-F297 HydrophobicContact CD1-CE1 3.89Å; Y249-F297 AromaticContact CD1-CE2 2.9Å; Y249-F297 HydrophobicContact CD1-CE2 2.9Å; Y249-F297 AromaticContact CD1-CZ 3.02Å; Y249-F297 HydrophobicContact CD1-CZ 3.02Å; Y249-F297 HydrophobicContact CD2-CZ 4.28Å; Y249-F297 AromaticContact CE1-CD2 3.95Å; Y249-F297 HydrophobicContact CE1-CD2 3.95Å; Y249-F297 AromaticContact CE1-CE2 3.18Å; Y249-F297 HydrophobicContact CE1-CE2 3.18Å; Y249-F297 AromaticContact CE1-CZ 3.76Å; Y249-F297 HydrophobicContact CE1-CZ 3.76Å; Y249-F297 HydrophobicContact CG-CE1 4.1Å; Y249-F297 AromaticContact CG-CE2 3.7Å; Y249-F297 HydrophobicContact CG-CE2 3.7Å; Y249-F297 AromaticContact CG-CZ 3.3Å; Y249-F297 HydrophobicContact CG-CZ 3.3Å; L294-F297 PolarHBondContact O-N 2.84Å; Y295-F297 VanDerWaalsContact C-N 3.29Å; Y295-F297 PolarHBondContact O-N 3.18Å; F297-S299 PolarHBondContact O-N 2.81Å; F297-E300 PolarHBondContact O-N 2.86Å; F297-Q301 HydrophobicContact CD2-CG 3.83Å; F297-Q301 HydrophobicContact CE2-CB 4.46Å; F297-Q301 HydrophobicContact CE2-CG 3.16Å; F297-Q301 HydrophobicContact CZ-CG 3.63Å; F297-Q301 WeakPolarHBondContact O-CG 3.45Å; F297-Q301 PolarHBondContact O-N 3.24Å
298	V	92.1	Very high	90.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-42.7	-176.4	172.8	0	0	0	0	111.1	Y117 L220 L294 E300 Q301 I302	Y117-V298 HydrophobicContact CD1-CG1 4.31Å; Y117-V298 HydrophobicContact CE1-CG1 4.38Å; L220-V298 VanDerWaalsContact O-CG2 3.26Å; L220-V298 WeakPolarHBondContact O-CG2 3.4Å; L294-V298 HydrophobicContact CB-CG2 3.83Å; L294-V298 WeakPolarHBondContact O-CB 3.3Å; L294-V298 WeakPolarHBondContact O-CG2 3.31Å; L294-V298 PolarHBondContact O-N 2.71Å; V298-E300 VanDerWaalsContact C-N 3.32Å; V298-E300 PolarHBondContact O-N 3.01Å; V298-Q301 PolarHBondContact O-N 3.33Å; V298-I302 HydrophobicContact CG1-CD1 3.59Å; V298-I302 HydrophobicContact CG1-CG1 4.16Å; V298-I302 WeakPolarHBondContact O-CB 3.04Å; V298-I302 VanDerWaalsContact O-CG1 3.27Å; V298-I302 WeakPolarHBondContact O-CG1 3.17Å; V298-I302 PolarHBondContact O-N 3.35Å
299	S	92.5	Very high	89.3	Confident	7 Å²	7	50.7 Å²	50.7	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-33.6	179.3	71.6	0	0	0	0	112.7	Y295 F297 R303	Y295-S299 WeakPolarHBondContact O-CB 3.42Å; Y295-S299 PolarHBondContact O-N 2.9Å; Y295-S299 PolarHBondContact O-OG 3.03Å; F297-S299 PolarHBondContact O-N 2.81Å; S299-R303 VanDerWaalsContact O-CB 3.3Å; S299-R303 WeakPolarHBondContact O-CB 3.27Å; S299-R303 PolarHBondContact O-N 3.11Å; S299-R303 VanDerWaalsContact O-N 3.09Å
300	E	92.7	Very high	88.6	Confident	115 Å²	115	52.6 Å²	52.6	54%	0.537	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-50.1	174.2	-175.7	180	177.5	0	0	111	P296 F297 V298 R303 K304	P296-E300 WeakPolarHBondContact O-CB 3.46Å; F297-E300 PolarHBondContact O-N 2.86Å; V298-E300 VanDerWaalsContact C-N 3.32Å; V298-E300 PolarHBondContact O-N 3.01Å; E300-R303 PolarHBondContact O-N 3.36Å; E300-K304 PolarHBondContact O-N 3.13Å
301	Q	91.6	Very high	87.7	Confident	13 Å²	13	58.1 Å²	58.1	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-43.5	178.8	-67.6	-55.8	-37.4	0	0	111.9	C221 G222 F297 V298 R303 K304 N305	C221-Q301 WeakPolarHBondContact O-CB 3.21Å; G222-Q301 CarbonylContact O-C 3.17Å; G222-Q301 VanDerWaalsContact O-CB 3.29Å; G222-Q301 WeakPolarHBondContact O-CB 3.13Å; F297-Q301 HydrophobicContact CD2-CG 3.83Å; F297-Q301 HydrophobicContact CE2-CB 4.46Å; F297-Q301 HydrophobicContact CE2-CG 3.16Å; F297-Q301 HydrophobicContact CZ-CG 3.63Å; F297-Q301 WeakPolarHBondContact O-CG 3.45Å; F297-Q301 PolarHBondContact O-N 3.24Å; V298-Q301 PolarHBondContact O-N 3.33Å; Q301-R303 VanDerWaalsContact C-N 3.28Å; Q301-R303 PolarHBondContact O-N 3.3Å; Q301-K304 PolarHBondContact O-N 3.36Å; Q301-K304 VanDerWaalsContact O-N 3.16Å; Q301-N305 WeakPolarHBondContact O-CB 3.37Å; Q301-N305 PolarHBondContact O-N 3.33Å; Q301-N305 PolarHBondContact O-ND2 3.12Å; Q301-N305 PolarHBondContact OE1-ND2 3.33Å; Q301-N305 VanDerWaalsContact OE1-ND2 3.12Å
302	I	91.6	Very high	86.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-42.6	176.4	-72.9	176.2	0	0	0	111	F108 I111 V112 G222 V298 K304 F306 L307	F108-I302 HydrophobicContact CB-CG2 3.64Å; F108-I302 HydrophobicContact CD1-CD1 3.94Å; F108-I302 HydrophobicContact CD1-CG1 4.48Å; F108-I302 HydrophobicContact CD1-CG2 4.34Å; F108-I302 HydrophobicContact CD2-CG2 4.4Å; F108-I302 HydrophobicContact CE1-CD1 4.36Å; F108-I302 HydrophobicContact CG-CG2 3.9Å; I111-I302 HydrophobicContact CB-CD1 4.39Å; I111-I302 HydrophobicContact CD1-CD1 4.42Å; I111-I302 HydrophobicContact CG2-CD1 3.89Å; V112-I302 HydrophobicContact CG2-CB 4.1Å; V112-I302 HydrophobicContact CG2-CG2 3.67Å; G222-I302 PolarHBondContact O-N 3.4Å; V298-I302 HydrophobicContact CG1-CD1 3.59Å; V298-I302 HydrophobicContact CG1-CG1 4.16Å; V298-I302 WeakPolarHBondContact O-CB 3.04Å; V298-I302 VanDerWaalsContact O-CG1 3.27Å; V298-I302 WeakPolarHBondContact O-CG1 3.17Å; V298-I302 PolarHBondContact O-N 3.35Å; I302-K304 PolarHBondContact O-N 3.23Å; I302-F306 PolarHBondContact O-N 3.35Å; I302-L307 HydrophobicContact CG2-CD1 4.33Å; I302-L307 HydrophobicContact CG2-CG 4.15Å; I302-L307 PolarHBondContact O-N 3.25Å; I302-L307 VanDerWaalsContact O-N 3.12Å
303	R	90.1	Very high	85.7	Confident	110 Å²	110	58.1 Å²	58.1	42%	0.415	27%	0.272	S	S	.	.	I	π-helix	trans	-62.4	-44.3	178.2	-170.7	-178.2	-59.7	105.1	2.6	111.4	S299 E300 Q301 A308	S299-R303 VanDerWaalsContact O-CB 3.3Å; S299-R303 WeakPolarHBondContact O-CB 3.27Å; S299-R303 PolarHBondContact O-N 3.11Å; S299-R303 VanDerWaalsContact O-N 3.09Å; E300-R303 PolarHBondContact O-N 3.36Å; Q301-R303 VanDerWaalsContact C-N 3.28Å; Q301-R303 PolarHBondContact O-N 3.3Å; R303-A308 WeakPolarHBondContact O-CB 3.49Å; R303-A308 PolarHBondContact O-N 3.01Å
304	K	88	Confident	84.7	Confident	96 Å²	96	59.3 Å²	59.3	42%	0.417	27%	0.272	S	S	.	.	I	π-helix	trans	-68.1	-51	-178.8	-175.4	-178.6	177.1	-177.1	0	112.1	E300 Q301 I302	E300-K304 PolarHBondContact O-N 3.13Å; Q301-K304 PolarHBondContact O-N 3.36Å; Q301-K304 VanDerWaalsContact O-N 3.16Å; I302-K304 PolarHBondContact O-N 3.23Å
305	N	85.2	Confident	83.6	Confident	31 Å²	31	61.2 Å²	61.2	17%	0.166	29%	0.29	C	S	.	.	I	π-helix	trans	-86.9	-30.1	-167.5	-60	-45.2	0	0	0	113.1	G222 Y223 Q301 V309	G222-N305 PolarHBondContact O-ND2 2.84Å; Y223-N305 WeakPolarHBondContact CB-ND2 3.42Å; Q301-N305 WeakPolarHBondContact O-CB 3.37Å; Q301-N305 PolarHBondContact O-N 3.33Å; Q301-N305 PolarHBondContact O-ND2 3.12Å; Q301-N305 PolarHBondContact OE1-ND2 3.33Å; Q301-N305 VanDerWaalsContact OE1-ND2 3.12Å; N305-V309 VanDerWaalsContact O-CG2 3.29Å; N305-V309 WeakPolarHBondContact O-CG2 3.49Å
306	F	85.9	Confident	82.4	Confident	30 Å²	30	63.6 Å²	63.6	13%	0.132	30%	0.3	C	S	.	.	I	π-helix	trans	-117.7	-55.3	-173.1	-59.9	-85.7	0	0	0	112.7	F108 Y188 I218 G222 P224 I302 V309 K310	F108-F306 HydrophobicContact CD2-CB 3.87Å; F108-F306 HydrophobicContact CD2-CD1 4.21Å; F108-F306 HydrophobicContact CD2-CD2 4.34Å; F108-F306 AromaticContact CD2-CG 3.88Å; F108-F306 HydrophobicContact CD2-CG 3.88Å; F108-F306 HydrophobicContact CE2-CB 4.18Å; F108-F306 AromaticContact CE2-CD1 3.67Å; F108-F306 HydrophobicContact CE2-CD1 3.67Å; F108-F306 HydrophobicContact CE2-CD2 4.02Å; F108-F306 HydrophobicContact CE2-CE1 4.01Å; F108-F306 HydrophobicContact CE2-CE2 4.33Å; F108-F306 AromaticContact CE2-CG 3.67Å; F108-F306 HydrophobicContact CE2-CG 3.67Å; F108-F306 HydrophobicContact CE2-CZ 4.32Å; Y188-F306 WeakPolarHBondContact OH-CE1 3.1Å; I218-F306 HydrophobicContact CB-CZ 4.43Å; I218-F306 HydrophobicContact CD1-CE1 4.15Å; I218-F306 HydrophobicContact CD1-CZ 3.74Å; I218-F306 HydrophobicContact CG1-CZ 3.93Å; I218-F306 HydrophobicContact CG2-CD2 4.36Å; I218-F306 HydrophobicContact CG2-CE2 3.47Å; I218-F306 VanDerWaalsContact CG2-CE2 3.47Å; I218-F306 HydrophobicContact CG2-CZ 3.58Å; G222-F306 WeakPolarHBondContact O-CE2 3.29Å; P224-F306 HydrophobicContact CB-CZ 4.37Å; P224-F306 HydrophobicContact CG-CZ 4.39Å; I302-F306 PolarHBondContact O-N 3.35Å; F306-V309 PolarHBondContact O-N 3.37Å; F306-K310 WeakPolarHBondContact O-CB 3.48Å; F306-K310 PolarHBondContact O-N 2.68Å
307	L	83	Confident	81.1	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.037	30%	0.3	C	S	.	.	I	π-helix	trans	-70.9	-38.7	-171.1	-58.1	-176.2	0	0	0	112.7	F108 D109 V112 I302 R311	F108-L307 HydrophobicContact CB-CD2 4.11Å; D109-L307 WeakPolarHBondContact OD1-CD2 3.44Å; V112-L307 HydrophobicContact CB-CD1 4.09Å; V112-L307 HydrophobicContact CG1-CD1 4.24Å; V112-L307 HydrophobicContact CG2-CD1 3.76Å; I302-L307 HydrophobicContact CG2-CD1 4.33Å; I302-L307 HydrophobicContact CG2-CG 4.15Å; I302-L307 PolarHBondContact O-N 3.25Å; I302-L307 VanDerWaalsContact O-N 3.12Å; L307-R311 WeakPolarHBondContact O-CB 3.48Å; L307-R311 WeakPolarHBondContact O-CG 3.34Å; L307-R311 PolarHBondContact O-N 2.63Å
308	A	78.7	Confident	80	Confident	54 Å²	54	64.8 Å²	64.8	45%	0.446	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-48.6	175	0	0	0	0	0	111.3	R303 K310 R311 W312	R303-A308 WeakPolarHBondContact O-CB 3.49Å; R303-A308 PolarHBondContact O-N 3.01Å; A308-K310 PolarHBondContact O-N 3.23Å; A308-R311 PolarHBondContact O-N 3Å; A308-W312 WeakPolarHBondContact O-CB 3.38Å; A308-W312 PolarHBondContact O-N 3.01Å
309	V	75.6	Confident	79	Confident	38 Å²	38	68.7 Å²	68.7	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-46.5	178.1	178.6	0	0	0	0	110.8	N305 F306 W312 K313	N305-V309 VanDerWaalsContact O-CG2 3.29Å; N305-V309 WeakPolarHBondContact O-CG2 3.49Å; F306-V309 PolarHBondContact O-N 3.37Å; V309-W312 PolarHBondContact O-N 3.48Å; V309-K313 HydrophobicContact CG1-CD 4.36Å; V309-K313 WeakPolarHBondContact O-CG 3.49Å; V309-K313 PolarHBondContact O-N 3.09Å
310	K	76.7	Confident	77.7	Confident	43 Å²	43	71.7 Å²	71.7	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-42	180	-173.4	-179.6	174.2	-157.8	0	112.9	E106 D109 F306 A308 W312 K313 K314	E106-K310 IonicContact OE1-NZ 3.73Å; E106-K310 PolarHBondContact OE1-NZ 2.72Å; E106-K310 IonicContact OE2-NZ 3.66Å; E106-K310 PolarHBondContact OE2-NZ 3.12Å; D109-K310 IonicContact OD2-NZ 3.58Å; F306-K310 WeakPolarHBondContact O-CB 3.48Å; F306-K310 PolarHBondContact O-N 2.68Å; A308-K310 PolarHBondContact O-N 3.23Å; K310-W312 VanDerWaalsContact C-N 3.31Å; K310-W312 PolarHBondContact O-N 3.21Å; K310-K313 PolarHBondContact O-N 3.16Å; K310-K314 WeakPolarHBondContact O-CG 3.27Å; K310-K314 PolarHBondContact O-N 2.83Å
311	R	74.6	Confident	76.4	Confident	167 Å²	167	70.2 Å²	70.2	63%	0.63	35%	0.352	S	S	*	.	H	α-helix	trans	-61.7	-40.9	174.7	-76.2	173.5	-175.2	179.7	2	111.2	L307 A308 K314 A315	L307-R311 WeakPolarHBondContact O-CB 3.48Å; L307-R311 WeakPolarHBondContact O-CG 3.34Å; L307-R311 PolarHBondContact O-N 2.63Å; A308-R311 PolarHBondContact O-N 3Å; R311-K314 PolarHBondContact O-N 3.32Å; R311-A315 WeakPolarHBondContact O-CB 3.15Å; R311-A315 PolarHBondContact O-N 3.09Å
312	W	68.4	Low	75.1	Confident	132 Å²	132	75 Å²	75	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-49.5	175.5	-172.7	-94.4	0	0	0	111.9	A308 V309 K310 K314 A315 Y316	A308-W312 WeakPolarHBondContact O-CB 3.38Å; A308-W312 PolarHBondContact O-N 3.01Å; V309-W312 PolarHBondContact O-N 3.48Å; K310-W312 VanDerWaalsContact C-N 3.31Å; K310-W312 PolarHBondContact O-N 3.21Å; W312-K314 VanDerWaalsContact C-N 3.3Å; W312-K314 PolarHBondContact O-N 3.38Å; W312-A315 PolarHBondContact O-N 3.27Å; W312-A315 VanDerWaalsContact O-N 3.15Å; W312-Y316 WeakPolarHBondContact O-CB 3.34Å; W312-Y316 PolarHBondContact O-N 3.49Å
313	K	70.5	Confident	73.7	Confident	92 Å²	92	81.5 Å²	81.5	40%	0.4	41%	0.407	S	S	.	.	H	α-helix	trans	-54.8	-45.1	175.1	-74.4	-176.6	177.4	-175.1	0	111.5	V309 K310 N317	V309-K313 HydrophobicContact CG1-CD 4.36Å; V309-K313 WeakPolarHBondContact O-CG 3.49Å; V309-K313 PolarHBondContact O-N 3.09Å; K310-K313 PolarHBondContact O-N 3.16Å; K313-N317 WeakPolarHBondContact O-CB 3.48Å; K313-N317 PolarHBondContact O-N 3.12Å; K313-N317 PolarHBondContact O-ND2 3.02Å
314	K	72.1	Confident	72.4	Confident	125 Å²	125	81 Å²	81	54%	0.543	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-47	175.4	-76.2	-174.2	176.5	-175.6	0	112.4	K310 R311 W312 N317 A318	K310-K314 WeakPolarHBondContact O-CG 3.27Å; K310-K314 PolarHBondContact O-N 2.83Å; R311-K314 PolarHBondContact O-N 3.32Å; W312-K314 VanDerWaalsContact C-N 3.3Å; W312-K314 PolarHBondContact O-N 3.38Å; K314-N317 PolarHBondContact O-N 2.97Å; K314-A318 WeakPolarHBondContact O-CB 3.35Å; K314-A318 PolarHBondContact O-N 2.84Å
315	A	69.6	Low	71.4	Confident	54 Å²	54	80.6 Å²	80.6	45%	0.446	41%	0.414	S	S	.	.	H	α-helix	trans	-66.4	-40.2	-179.1	0	0	0	0	0	112.6	R311 W312 A318 T319	R311-A315 WeakPolarHBondContact O-CB 3.15Å; R311-A315 PolarHBondContact O-N 3.09Å; W312-A315 PolarHBondContact O-N 3.27Å; W312-A315 VanDerWaalsContact O-N 3.15Å; A315-A318 PolarHBondContact O-N 2.7Å; A315-T319 WeakPolarHBondContact O-CB 3.28Å; A315-T319 PolarHBondContact O-N 3.07Å; A315-T319 PolarHBondContact O-OG1 3.47Å
316	Y	67.9	Low	70.3	Confident	96 Å²	96	87.3 Å²	87.3	38%	0.376	44%	0.437	S	S	.	.	H	α-helix	trans	-61.5	-51.4	174.7	-179.9	-93	0	0	0	110.8	W312 A318 T319 T320 L357	W312-Y316 WeakPolarHBondContact O-CB 3.34Å; W312-Y316 PolarHBondContact O-N 3.49Å; Y316-A318 VanDerWaalsContact C-N 3.32Å; Y316-A318 PolarHBondContact O-N 2.73Å; Y316-T319 PolarHBondContact O-N 3.23Å; Y316-T320 PolarHBondContact O-N 2.94Å; Y316-T320 PolarHBondContact O-OG1 2.76Å; Y316-L357 HydrophobicContact CE2-CD2 4.26Å
317	N	65.2	Low	69.1	Low	97 Å²	97	92.8 Å²	92.8	52%	0.519	46%	0.457	S	S	.	.	H	α-helix	trans	-58	-43.4	178.1	-72.1	-10.4	0	0	0	111.9	K313 K314 T319 T320 V321	K313-N317 WeakPolarHBondContact O-CB 3.48Å; K313-N317 PolarHBondContact O-N 3.12Å; K313-N317 PolarHBondContact O-ND2 3.02Å; K314-N317 PolarHBondContact O-N 2.97Å; N317-T319 VanDerWaalsContact C-N 3.34Å; N317-T319 PolarHBondContact O-N 3.11Å; N317-T320 PolarHBondContact O-N 3.48Å; N317-V321 VanDerWaalsContact O-CG2 3.28Å; N317-V321 WeakPolarHBondContact O-CG2 3.44Å; N317-V321 PolarHBondContact O-N 3.44Å
318	A	68.8	Low	68.2	Low	53 Å²	53	97.4 Å²	97.4	44%	0.438	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-42	175.5	0	0	0	0	0	112.2	K314 A315 Y316 V321 L322	K314-A318 WeakPolarHBondContact O-CB 3.35Å; K314-A318 PolarHBondContact O-N 2.84Å; A315-A318 PolarHBondContact O-N 2.7Å; Y316-A318 VanDerWaalsContact C-N 3.32Å; Y316-A318 PolarHBondContact O-N 2.73Å; A318-V321 PolarHBondContact O-N 2.9Å; A318-L322 WeakPolarHBondContact O-CB 3.28Å; A318-L322 VanDerWaalsContact O-CG 3.3Å; A318-L322 WeakPolarHBondContact O-CG 3.14Å; A318-L322 PolarHBondContact O-N 3.34Å
319	T	70.2	Confident	67.5	Low	83 Å²	83	101.2 Å²	101.2	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-42.7	178.6	-55	0	0	0	0	111.7	A315 Y316 N317 L322 H323	A315-T319 WeakPolarHBondContact O-CB 3.28Å; A315-T319 PolarHBondContact O-N 3.07Å; A315-T319 PolarHBondContact O-OG1 3.47Å; Y316-T319 PolarHBondContact O-N 3.23Å; N317-T319 VanDerWaalsContact C-N 3.34Å; N317-T319 PolarHBondContact O-N 3.11Å; T319-L322 PolarHBondContact O-N 3.34Å; T319-H323 WeakPolarHBondContact O-CB 3.32Å; T319-H323 PolarHBondContact O-N 3.47Å
320	T	65.9	Low	66.7	Low	70 Å²	70	104.2 Å²	104.2	43%	0.429	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176	-60.3	0	0	0	0	111.3	Y316 N317 H323 L324	Y316-T320 PolarHBondContact O-N 2.94Å; Y316-T320 PolarHBondContact O-OG1 2.76Å; N317-T320 PolarHBondContact O-N 3.48Å; T320-H323 PolarHBondContact O-N 2.57Å; T320-L324 WeakPolarHBondContact O-CB 3.19Å; T320-L324 PolarHBondContact O-N 3.01Å
321	V	65.3	Low	65.7	Low	84 Å²	84	106.8 Å²	106.8	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-44.6	174.2	171	0	0	0	0	111.1	N317 A318 H323 L324 L325	N317-V321 VanDerWaalsContact O-CG2 3.28Å; N317-V321 WeakPolarHBondContact O-CG2 3.44Å; N317-V321 PolarHBondContact O-N 3.44Å; A318-V321 PolarHBondContact O-N 2.9Å; V321-H323 VanDerWaalsContact C-N 3.34Å; V321-H323 PolarHBondContact O-N 3.32Å; V321-L324 WeakPolarHBondContact O-CB 3.47Å; V321-L324 PolarHBondContact O-N 3.15Å; V321-L325 HydrophobicContact CG1-CD1 4.05Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 VanDerWaalsContact O-CG 3.31Å; V321-L325 WeakPolarHBondContact O-CG 3.44Å; V321-L325 PolarHBondContact O-N 2.85Å
322	L	64.7	Low	64.3	Low	114 Å²	114	106.8 Å²	106.8	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-61.6	-40.5	176	-75.8	170.5	0	0	0	112.3	A318 T319 L325 R326	A318-L322 WeakPolarHBondContact O-CB 3.28Å; A318-L322 VanDerWaalsContact O-CG 3.3Å; A318-L322 WeakPolarHBondContact O-CG 3.14Å; A318-L322 PolarHBondContact O-N 3.34Å; T319-L322 PolarHBondContact O-N 3.34Å; L322-L325 PolarHBondContact O-N 3.18Å; L322-R326 WeakPolarHBondContact O-CB 3.18Å; L322-R326 PolarHBondContact O-N 3.16Å
323	H	60.8	Low	63.2	Low	136 Å²	136	104.3 Å²	104.3	63%	0.63	53%	0.527	S	S	*	.	H	α-helix	trans	-64.6	-42	177.8	-134.3	144.4	0	0	0	111.3	T319 T320 V321 R326 R327	T319-H323 WeakPolarHBondContact O-CB 3.32Å; T319-H323 PolarHBondContact O-N 3.47Å; T320-H323 PolarHBondContact O-N 2.57Å; V321-H323 VanDerWaalsContact C-N 3.34Å; V321-H323 PolarHBondContact O-N 3.32Å; H323-R326 PolarHBondContact O-N 2.96Å; H323-R327 WeakPolarHBondContact O-CB 3.2Å; H323-R327 PolarHBondContact O-N 3.27Å
324	L	63.9	Low	62.1	Low	99 Å²	99	106.5 Å²	106.5	52%	0.518	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-48.7	174.2	179.5	63.8	0	0	0	111.2	T320 V321 R326 R327 L328	T320-L324 WeakPolarHBondContact O-CB 3.19Å; T320-L324 PolarHBondContact O-N 3.01Å; V321-L324 WeakPolarHBondContact O-CB 3.47Å; V321-L324 PolarHBondContact O-N 3.15Å; L324-R326 VanDerWaalsContact C-N 3.32Å; L324-R326 PolarHBondContact O-N 3.03Å; L324-R327 PolarHBondContact O-N 3.26Å; L324-L328 HydrophobicContact CG-CD1 4.27Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.42Å
325	L	67.3	Low	60.6	Low	88 Å²	88	104.6 Å²	104.6	46%	0.461	55%	0.546	S	S	.	.	H	α-helix	trans	-59	-42.7	177.4	-72.3	173.2	0	0	0	111.8	V321 L322 R327 L328 Q329	V321-L325 HydrophobicContact CG1-CD1 4.05Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 VanDerWaalsContact O-CG 3.31Å; V321-L325 WeakPolarHBondContact O-CG 3.44Å; V321-L325 PolarHBondContact O-N 2.85Å; L322-L325 PolarHBondContact O-N 3.18Å; L325-R327 PolarHBondContact O-N 2.94Å; L325-L328 PolarHBondContact O-N 2.85Å; L325-Q329 WeakPolarHBondContact O-CG 3.26Å; L325-Q329 PolarHBondContact O-N 2.95Å
326	R	61.7	Low	59.1	Low	171 Å²	171	107.7 Å²	107.7	65%	0.645	56%	0.56	S	S	*	*	H	α-helix	trans	-63.7	-40.2	176.8	-166.9	174.5	-172.7	168.2	1.9	111.8	L322 H323 L324 Q329 L330	L322-R326 WeakPolarHBondContact O-CB 3.18Å; L322-R326 PolarHBondContact O-N 3.16Å; H323-R326 PolarHBondContact O-N 2.96Å; L324-R326 VanDerWaalsContact C-N 3.32Å; L324-R326 PolarHBondContact O-N 3.03Å; R326-Q329 PolarHBondContact O-N 3.36Å; R326-L330 HydrophobicContact CG-CD1 4.33Å; R326-L330 VanDerWaalsContact O-CG 3.31Å; R326-L330 WeakPolarHBondContact O-CG 3.15Å; R326-L330 PolarHBondContact O-N 2.98Å
327	R	60.2	Low	57.7	Low	146 Å²	146	108.8 Å²	108.8	55%	0.551	58%	0.576	S	S	*	*	H	α-helix	trans	-64.7	-40.9	175.5	-171	177.7	176	-175.2	-1.5	111.7	H323 L324 L325 L330 N331	H323-R327 WeakPolarHBondContact O-CB 3.2Å; H323-R327 PolarHBondContact O-N 3.27Å; L324-R327 PolarHBondContact O-N 3.26Å; L325-R327 PolarHBondContact O-N 2.94Å; R327-L330 PolarHBondContact O-N 3.43Å; R327-N331 PolarHBondContact O-N 3.36Å
328	L	64.4	Low	56.3	Low	103 Å²	103	113.2 Å²	113.2	54%	0.539	59%	0.593	S	S	.	*	H	α-helix	trans	-65.3	-38.9	175	-67.6	173.2	0	0	0	112	L324 L325 K332	L324-L328 HydrophobicContact CG-CD1 4.27Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.42Å; L325-L328 PolarHBondContact O-N 2.85Å; L328-K332 PolarHBondContact O-N 3.11Å; L328-K332 VanDerWaalsContact O-N 3.07Å
329	Q	63.3	Low	54.4	Low	134 Å²	134	120.3 Å²	120.3	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-65.4	-43.5	174.6	-75.3	178.1	-16.5	0	0	112.1	L325 R326 K332 S333	L325-Q329 WeakPolarHBondContact O-CG 3.26Å; L325-Q329 PolarHBondContact O-N 2.95Å; R326-Q329 PolarHBondContact O-N 3.36Å; Q329-K332 WeakPolarHBondContact O-CB 3.41Å; Q329-K332 PolarHBondContact O-N 3.42Å; Q329-S333 PolarHBondContact O-N 3.15Å; Q329-S333 VanDerWaalsContact O-N 3.1Å; Q329-S333 PolarHBondContact O-OG 3.16Å
330	L	59.9	Low	52.6	Low	101 Å²	101	121.4 Å²	121.4	53%	0.529	63%	0.626	S	S	.	*	H	α-helix	trans	-63.9	-39.9	176.9	-72.2	167.1	0	0	0	112.2	R326 R327 K332 S333 N334	R326-L330 HydrophobicContact CG-CD1 4.33Å; R326-L330 VanDerWaalsContact O-CG 3.31Å; R326-L330 WeakPolarHBondContact O-CG 3.15Å; R326-L330 PolarHBondContact O-N 2.98Å; R327-L330 PolarHBondContact O-N 3.43Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.02Å; L330-S333 PolarHBondContact O-N 3.4Å; L330-N334 PolarHBondContact O-N 3.44Å
331	N	54.8	Low	50.9	Low	98 Å²	98	124.1 Å²	124.1	52%	0.524	64%	0.642	S	S	.	*	H	α-helix	trans	-64.9	-34.3	174.4	-79.5	3.2	0	0	0	112.2	R327 S333 N334 S335	R327-N331 PolarHBondContact O-N 3.36Å; N331-S333 VanDerWaalsContact C-N 3.35Å; N331-N334 PolarHBondContact O-N 3.02Å; N331-S335 PolarHBondContact O-N 3.4Å; N331-S335 PolarHBondContact O-OG 3.26Å
332	K	45.7	Very low	49.2	Very low	167 Å²	167	127.4 Å²	127.4	73%	0.726	66%	0.657	S	S	*	*	H	α-helix	trans	-69.6	-30.8	176.1	-158.6	174.2	-175.7	178.6	0	112.7	L328 Q329 L330 S335	L328-K332 PolarHBondContact O-N 3.11Å; L328-K332 VanDerWaalsContact O-N 3.07Å; Q329-K332 WeakPolarHBondContact O-CB 3.41Å; Q329-K332 PolarHBondContact O-N 3.42Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.02Å; K332-S335 PolarHBondContact O-OG 3.18Å; K332-S335 VanDerWaalsContact O-OG 3.06Å
333	S	46	Very low	47.6	Very low	80 Å²	80	127.7 Å²	127.7	56%	0.559	67%	0.668	S	S	*	*	H	α-helix	trans	-71.8	-33.1	174.5	-47.6	0	0	0	0	112.8	Q329 L330 N331 T336	Q329-S333 PolarHBondContact O-N 3.15Å; Q329-S333 VanDerWaalsContact O-N 3.1Å; Q329-S333 PolarHBondContact O-OG 3.16Å; L330-S333 PolarHBondContact O-N 3.4Å; N331-S333 VanDerWaalsContact C-N 3.35Å; S333-T336 PolarHBondContact O-OG1 3.27Å
334	N	45.7	Very low	46.2	Very low	137 Å²	137	125.5 Å²	125.5	73%	0.733	67%	0.674	S	S	*	*	H	α-helix	trans	-84.1	-13.8	-179.2	-75.1	-8.4	0	0	0	113.8	L330 N331 T336	L330-N334 PolarHBondContact O-N 3.44Å; N331-N334 PolarHBondContact O-N 3.02Å; N334-T336 VanDerWaalsContact C-N 3.34Å; N334-T336 PolarHBondContact O-N 3.01Å
335	S	41.9	Very low	44.6	Very low	86 Å²	86	128.3 Å²	128.3	60%	0.601	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	13.4	179.9	55.4	0	0	0	0	115.3	N331 K332	N331-S335 PolarHBondContact O-N 3.4Å; N331-S335 PolarHBondContact O-OG 3.26Å; K332-S335 PolarHBondContact O-OG 3.18Å; K332-S335 VanDerWaalsContact O-OG 3.06Å
336	T	38.1	Very low	42.8	Very low	119 Å²	119	129.1 Å²	129.1	73%	0.73	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	6.5	179.8	-9.1	0	0	0	0	114.5	S333 N334	S333-T336 PolarHBondContact O-OG1 3.27Å; N334-T336 VanDerWaalsContact C-N 3.34Å; N334-T336 PolarHBondContact O-N 3.01Å
337	V	37.6	Very low	41.3	Very low	119 Å²	119	129.7 Å²	129.7	72%	0.721	72%	0.717	S	S	*	*	S	Bend	trans	-132	129.5	173.2	-170.1	0	0	0	0	107
338	E	35.2	Very low	39.9	Very low	189 Å²	189	127 Å²	127	88%	0.883	72%	0.72	S	S	*	*			trans	91.2	92.5	179.7	-53.3	-170.3	165.6	0	0	117.6
339	K	30.9	Very low	38.1	Very low	203 Å²	203	128 Å²	128	88%	0.883	73%	0.731	S	S	*	*			trans	-75.7	123.4	153.9	-77.6	175.5	173.6	175.9	0	108.6
340	S	30.8	Very low	36.6	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	74%	0.736	S	S	*	*				152.5	137	121.6	52.9	0	0	0	0	114.4
341	T	30.6	Very low	35.2	Very low	127 Å²	127	130.4 Å²	130.4	78%	0.779	75%	0.746	S	S	*	*			trans	87.8	115.4	157.6	64.6	0	0	0	0	120.8
342	N	30	Very low	34.2	Very low	153 Å²	153	134.2 Å²	134.2	82%	0.818	76%	0.758	S	S	*	*			trans	44.4	112.2	141.4	-62.1	-11.2	0	0	0	120.8
343	S	31.7	Very low	33.9	Very low	119 Å²	119	131.5 Å²	131.5	83%	0.832	75%	0.752	S	S	*	*				165.8	129.4	111	54.5	0	0	0	0	110.6
344	A	31.1	Very low	33.8	Very low	90 Å²	90	130.5 Å²	130.5	74%	0.744	74%	0.738	S	S	*	*			trans	-68.2	135.9	165.5	0	0	0	0	0	109.7
345	D	28.9	Very low	33.4	Very low	158 Å²	158	129 Å²	129	85%	0.845	73%	0.73	S	S	*	*			trans	153.9	153.7	145.4	-84.7	-22.3	0	0	0	111.8
346	S	29.9	Very low	33.5	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	73%	0.731	S	S	*	*			trans	83.7	81.2	173.1	75.4	0	0	0	0	118.1
347	L	29.7	Very low	33.5	Very low	184 Å²	184	128.3 Å²	128.3	96%	0.963	71%	0.708	S	S	*	*			trans	-110.4	72.9	141	-110	141.6	0	0	0	106.6
348	S	30.8	Very low	33.6	Very low	88 Å²	88	125.4 Å²	125.4	62%	0.615	69%	0.691	S	S	*	*			trans	-74.1	131.9	174.3	51.1	0	0	0	0	110.4	F350	S348-F350 PolarHBondContact O-N 3.32Å
349	T	27.9	Very low	33.7	Very low	125 Å²	125	122.7 Å²	122.7	77%	0.767	68%	0.678	S	S	*	*			trans	-3.8	111.5	155	-41.1	0	0	0	0	115.1
350	F	31.1	Very low	34.2	Very low	165 Å²	165	117.3 Å²	117.3	72%	0.724	66%	0.658	S	S	*	*			trans	-85.8	112.5	163.6	-91.5	-86.7	0	0	0	108.5	S348	S348-F350 PolarHBondContact O-N 3.32Å
351	T	31	Very low	34.6	Very low	121 Å²	121	114.2 Å²	114.2	74%	0.742	63%	0.632	S	S	*	*			trans	-72.7	140.4	170	44.7	0	0	0	0	110.1
352	F	34	Very low	35	Very low	177 Å²	177	111.8 Å²	111.8	78%	0.776	62%	0.619	S	S	*	*			trans	-59.8	131.7	172	-84.1	-107.7	0	0	0	109.5
353	D	38.1	Very low	35.4	Very low	111 Å²	111	110.7 Å²	110.7	59%	0.594	61%	0.609	S	S	*	*			trans	-106.7	86.5	174.4	-158.1	4.9	0	0	0	107.5
354	E	43.9	Very low	35.8	Very low	58 Å²	58	109.5 Å²	109.5	27%	0.271	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	-25	-161.7	-134.1	-177.6	-164.9	0	0	111.1	K356 L357 F404 N405	E354-K356 VanDerWaalsContact C-N 3.27Å; E354-K356 PolarHBondContact O-N 3.35Å; E354-K356 VanDerWaalsContact O-N 3.13Å; E354-L357 HydrophobicContact CG-CD1 3.83Å; E354-L357 VanDerWaalsContact O-CB 3.23Å; E354-L357 WeakPolarHBondContact O-CB 3.49Å; E354-L357 PolarHBondContact O-N 3.16Å; E354-F404 WeakPolarHBondContact CG-O 3.36Å; E354-F404 VanDerWaalsContact OE1-CB 3.32Å; E354-F404 WeakPolarHBondContact OE1-CB 3.33Å; E354-N405 WeakPolarHBondContact CA-OD1 3.5Å; E354-N405 WeakPolarHBondContact CB-OD1 3.14Å; E354-N405 WeakPolarHBondContact CG-OD1 3.13Å; E354-N405 PolarHBondContact O-OD1 2.81Å; E354-N405 VanDerWaalsContact OE2-CA 3.27Å; E354-N405 WeakPolarHBondContact OE2-CA 3.43Å
355	D	38.2	Very low	36.2	Very low	105 Å²	105	109.3 Å²	109.3	56%	0.561	58%	0.576	S	S	*	*	H	α-helix	trans	-65.8	-17.8	178.2	-70.3	-26.5	0	0	0	115.5	L357 T358 N405	D355-L357 VanDerWaalsContact C-N 3.34Å; D355-T358 PolarHBondContact O-OG1 2.72Å; D355-T358 VanDerWaalsContact O-OG1 3.12Å; D355-N405 PolarHBondContact OD1-ND2 3.36Å
356	K	43.3	Very low	36.5	Very low	142 Å²	142	108.6 Å²	108.6	62%	0.617	57%	0.566	S	S	*	*	H	α-helix	trans	-78.3	-17.1	171.1	-85.4	-174.7	176.7	175	0	113.3	E354	E354-K356 VanDerWaalsContact C-N 3.27Å; E354-K356 PolarHBondContact O-N 3.35Å; E354-K356 VanDerWaalsContact O-N 3.13Å
357	L	38.6	Very low	37	Very low	50 Å²	50	107 Å²	107	26%	0.262	56%	0.555	S	S	.	*	H	α-helix	trans	-71.3	-40.6	179.3	-76.5	152.1	0	0	0	111.8	Y316 E354 D355 Q361	Y316-L357 HydrophobicContact CE2-CD2 4.26Å; E354-L357 HydrophobicContact CG-CD1 3.83Å; E354-L357 VanDerWaalsContact O-CB 3.23Å; E354-L357 WeakPolarHBondContact O-CB 3.49Å; E354-L357 PolarHBondContact O-N 3.16Å; D355-L357 VanDerWaalsContact C-N 3.34Å; L357-Q361 WeakPolarHBondContact O-CB 3.17Å; L357-Q361 PolarHBondContact O-N 3.4Å
358	T	40.1	Very low	37.5	Very low	57 Å²	57	104.9 Å²	104.9	35%	0.35	55%	0.545	S	S	.	.	H	α-helix	trans	-68.4	-39.1	-179.4	26	0	0	0	0	112.6	D355 Q361 C362 S403	D355-T358 PolarHBondContact O-OG1 2.72Å; D355-T358 VanDerWaalsContact O-OG1 3.12Å; T358-Q361 WeakPolarHBondContact O-CB 3.4Å; T358-Q361 PolarHBondContact O-N 3.08Å; T358-C362 PolarHBondContact O-N 3.42Å; T358-S403 WeakPolarHBondContact CG2-OG 3.5Å
359	E	37.2	Very low	37.8	Very low	132 Å²	132	105.7 Å²	105.7	62%	0.617	55%	0.55	S	S	*	*	H	α-helix	trans	-72	-36.2	-173.7	-149.9	175.6	-159.3	0	0	112.8
360	I	42.2	Very low	38.2	Very low	91 Å²	91	105.7 Å²	105.7	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-75.7	-33.3	177.4	-61.5	173.7	0	0	0	110.9	C362 Q363 Q364	I360-C362 VanDerWaalsContact C-N 3.34Å; I360-C362 PolarHBondContact O-N 3.36Å; I360-Q363 PolarHBondContact O-N 2.87Å; I360-Q363 VanDerWaalsContact O-N 3.17Å; I360-Q364 PolarHBondContact O-N 2.82Å
361	Q	39	Very low	38.4	Very low	40 Å²	40	105.4 Å²	105.4	19%	0.187	55%	0.55	C	S	.	.	H	α-helix	trans	-59.9	-40.9	175.6	-118.3	166.1	3.3	0	0	113	L357 T358 Q363 L365 S401 F402 S403	L357-Q361 WeakPolarHBondContact O-CB 3.17Å; L357-Q361 PolarHBondContact O-N 3.4Å; T358-Q361 WeakPolarHBondContact O-CB 3.4Å; T358-Q361 PolarHBondContact O-N 3.08Å; Q361-Q363 VanDerWaalsContact C-N 3.29Å; Q361-Q363 PolarHBondContact O-N 2.82Å; Q361-L365 WeakPolarHBondContact O-CD1 3.41Å; Q361-L365 PolarHBondContact O-N 3.19Å; Q361-S401 VanDerWaalsContact CD-O 3.3Å; Q361-S401 PolarHBondContact NE2-O 2.7Å; Q361-S401 VanDerWaalsContact NE2-O 3.08Å; Q361-S401 PolarHBondContact NE2-OG 3.36Å; Q361-S401 PolarHBondContact OE1-O 3.01Å; Q361-F402 PolarHBondContact NE2-O 3.27Å; Q361-F402 PolarHBondContact OE1-O 3Å; Q361-S403 PolarHBondContact OE1-OG 2.78Å
362	C	37.4	Very low	38.7	Very low	76 Å²	76	109.7 Å²	109.7	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-67.9	-25.4	177.2	-104	0	0	0	0	113.7	T358 I360 K366	T358-C362 PolarHBondContact O-N 3.42Å; I360-C362 VanDerWaalsContact C-N 3.34Å; I360-C362 PolarHBondContact O-N 3.36Å; C362-K366 WeakPolarHBondContact O-CD 3.47Å; C362-K366 VanDerWaalsContact O-CG 3.29Å; C362-K366 WeakPolarHBondContact O-CG 3.3Å
363	Q	39.1	Very low	38.4	Very low	130 Å²	130	110 Å²	110	61%	0.607	56%	0.562	S	S	*	*	H	α-helix	trans	-86.4	-35.9	-175.8	-68.6	-179.8	7.6	0	0	112.6	I360 Q361 S367	I360-Q363 PolarHBondContact O-N 2.87Å; I360-Q363 VanDerWaalsContact O-N 3.17Å; Q361-Q363 VanDerWaalsContact C-N 3.29Å; Q361-Q363 PolarHBondContact O-N 2.82Å; Q363-S367 PolarHBondContact O-N 3.18Å
364	Q	39.9	Very low	38.2	Very low	95 Å²	95	111.7 Å²	111.7	44%	0.444	57%	0.571	S	S	.	*	H	α-helix	trans	-83.5	-28	-178.6	-72.8	-173.3	-20.6	0	0	114.3	I360 K366 S367 N368	I360-Q364 PolarHBondContact O-N 2.82Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; Q364-S367 WeakPolarHBondContact CA-OG 3.49Å; Q364-S367 PolarHBondContact O-N 2.82Å; Q364-S367 PolarHBondContact O-OG 3.26Å; Q364-N368 PolarHBondContact O-N 2.93Å
365	L	39.4	Very low	37.7	Very low	85 Å²	85	118.6 Å²	118.6	45%	0.445	60%	0.6	S	S	.	*	H	α-helix	trans	-68.3	-30.3	170.6	-74.1	166.5	0	0	0	111.8	Q361	Q361-L365 WeakPolarHBondContact O-CD1 3.41Å; Q361-L365 PolarHBondContact O-N 3.19Å
366	K	36.8	Very low	37.1	Very low	143 Å²	143	121.8 Å²	121.8	62%	0.622	62%	0.617	S	S	*	*	H	α-helix	trans	-75.1	-28.5	174.2	-72.3	177	-175.2	174.5	0	113.1	C362 Q364 I370	C362-K366 WeakPolarHBondContact O-CD 3.47Å; C362-K366 VanDerWaalsContact O-CG 3.29Å; C362-K366 WeakPolarHBondContact O-CG 3.3Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; K366-I370 WeakPolarHBondContact O-CD1 3.47Å
367	S	39.9	Very low	36.7	Very low	73 Å²	73	120.6 Å²	120.6	51%	0.51	62%	0.624	S	S	.	*	H	α-helix	trans	-81.8	-18.8	178.6	60.1	0	0	0	0	114.2	Q363 Q364	Q363-S367 PolarHBondContact O-N 3.18Å; Q364-S367 WeakPolarHBondContact CA-OG 3.49Å; Q364-S367 PolarHBondContact O-N 2.82Å; Q364-S367 PolarHBondContact O-OG 3.26Å
368	N	39.2	Very low	36.4	Very low	139 Å²	139	124.4 Å²	124.4	74%	0.743	65%	0.651	S	S	*	*	S	Bend	trans	-95.4	-4.1	179.3	-72.2	-15.7	0	0	0	114.2	Q364	Q364-N368 PolarHBondContact O-N 2.93Å
369	S	38.3	Very low	36	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	68%	0.676	S	S	*	*	S	Bend	trans	-102.2	7.9	176.2	-67.6	0	0	0	0	113.9
370	I	36.2	Very low	35.8	Very low	125 Å²	125	133.5 Å²	133.5	64%	0.641	69%	0.691	S	S	*	*	S	Bend	trans	-122.7	73.5	179.4	-52.7	171.2	0	0	0	107.7	K366	K366-I370 WeakPolarHBondContact O-CD1 3.47Å
371	D	35.7	Very low	35.1	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	71%	0.709	S	S	*	*			trans	-178	56	162.3	-96	-21	0	0	0	112.2
372	K	35.6	Very low	34.9	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	74%	0.743	S	S	*	*			trans	-149.8	63.4	157.6	-72	-162.9	-178.3	174	0	110.6
373	Q	28.7	Very low	34.7	Very low	183 Å²	183	144.4 Å²	144.4	86%	0.855	76%	0.755	S	S	*	*			trans	-92.9	143.2	155.5	-81.2	-177.9	-15.5	0	0	108.7
374	D	32.6	Very low	34.6	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	76%	0.761	S	S	*	*			trans	104.1	115.8	159.1	-65.1	-19.7	0	0	0	121.1
375	K	33.5	Very low	34.5	Very low	203 Å²	203	143.7 Å²	143.7	88%	0.883	78%	0.775	S	S	*	*			trans	100.5	93	148.5	-68.8	174.5	-177.6	-171.1	0	119.6
376	L	26.8	Very low	34.7	Very low	173 Å²	173	145 Å²	145	91%	0.906	79%	0.792	S	S	*	*			trans	-95.2	147.8	146.9	-102.1	98.7	0	0	0	110.9
377	P	33.7	Very low	34.6	Very low	117 Å²	117	144 Å²	144	76%	0.76	80%	0.799	S	S	*	*			trans	-116.6	168.6	152.5	29.4	-12.2	0	0	0	113.3
378	P	34	Very low	34.4	Very low	130 Å²	130	145.9 Å²	145.9	84%	0.844	81%	0.813	S	S	*	*			trans	-101.9	167.4	-139.7	38.3	-35.5	0	0	0	117.8
379	K	29.7	Very low	34.1	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	81%	0.811	S	S	*	*			trans	-56.3	153	-177.4	-72.4	173.1	170	176.2	0	116.9
380	L	33	Very low	33.9	Very low	181 Å²	181	147 Å²	147	95%	0.948	82%	0.818	S	S	*	*			trans	-120.6	134.2	150.4	-98.5	149.3	0	0	0	110.1
381	Q	28.8	Very low	33.9	Very low	179 Å²	179	145.8 Å²	145.8	84%	0.836	82%	0.82	S	S	*	*			trans	-87.8	146.3	-172.2	-66.1	168.4	-30.2	0	0	112.1
382	T	35.3	Very low	33.7	Very low	147 Å²	147	143.5 Å²	143.5	90%	0.902	82%	0.816	S	S	*	*			trans	-145.7	133	136.8	47.5	0	0	0	0	110.7
383	S	33.5	Very low	33.7	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	81%	0.81	S	S	*	*			trans	-72.4	150.6	176.4	49.3	0	0	0	0	111.9
384	S	36.8	Very low	34	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	81%	0.809	S	S	*	*				173.7	149.1	65.3	41	0	0	0	0	111.4
385	S	36.8	Very low	34	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	81%	0.813	S	S	*	*			trans	55.4	135.9	152.5	54.3	0	0	0	0	120
386	S	43.4	Very low	34.3	Very low	114 Å²	114	133.8 Å²	133.8	80%	0.797	80%	0.801	S	S	*	*			cis	-171.3	169	6	-88.5	0	0	0	0	107.6
387	P	35.5	Very low	34.7	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	79%	0.794	S	S	*	*			trans	-105.7	157.7	-145.1	38.6	-33	0	0	0	115.5
388	S	36.1	Very low	34.6	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	79%	0.794	S	S	*	*			trans	-163.7	126.9	146.5	40.8	0	0	0	0	112.4
389	S	32.5	Very low	34.8	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	77%	0.774	S	S	*	*			trans	36.8	115.4	150	59.1	0	0	0	0	119.5
390	L	35	Very low	34.9	Very low	166 Å²	166	127.6 Å²	127.6	87%	0.869	76%	0.759	S	S	*	*				-168.3	150.8	117.2	-123.1	75.9	0	0	0	111.8
391	S	36.1	Very low	34.8	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-54.6	146	-176.7	40.9	0	0	0	0	115.7
392	S	30.5	Very low	35.1	Very low	109 Å²	109	116.8 Å²	116.8	76%	0.762	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-49.6	132	170.5	44.5	0	0	0	0	114.2
393	P	36.2	Very low	34.8	Very low	121 Å²	121	111.5 Å²	111.5	79%	0.786	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-87.4	122	159.4	23.4	-10.6	0	0	0	109.7
394	T	35.2	Very low	34.7	Very low	134 Å²	134	108.5 Å²	108.5	82%	0.822	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-60.7	131.5	166	35.1	0	0	0	0	110.4
395	H	32.8	Very low	34.4	Very low	188 Å²	188	105.6 Å²	105.6	87%	0.87	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-57	134.8	172.7	-96.2	-83	0	0	0	111.2
396	P	39.8	Very low	34.1	Very low	97 Å²	97	106.5 Å²	106.5	63%	0.63	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-72.6	152.4	166.5	31.4	-32.3	0	0	0	109.8
397	P	34.2	Very low	33.4	Very low	118 Å²	118	106 Å²	106	77%	0.766	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-66.6	139	179.3	28.7	-32.2	0	0	0	110.3	I399	P397-I399 PolarHBondContact O-N 3.15Å; P397-I399 VanDerWaalsContact O-N 3.08Å
398	E	32.8	Very low	33.1	Very low	163 Å²	163	106.2 Å²	106.2	76%	0.762	62%	0.615	S	S	*	*			trans	-56.8	112.7	166.7	-76.2	179	146.9	0	0	109.1	K400	E398-K400 PolarHBondContact O-N 3.29Å
399	I	37.8	Very low	32.9	Very low	83 Å²	83	108.1 Å²	108.1	43%	0.426	62%	0.616	S	S	.	*			trans	-59.4	100.5	169	-59.1	168.4	0	0	0	107.6	P397	P397-I399 PolarHBondContact O-N 3.15Å; P397-I399 VanDerWaalsContact O-N 3.08Å
400	K	30.9	Very low	32.8	Very low	125 Å²	125	112.2 Å²	112.2	54%	0.543	62%	0.624	S	S	.	*			trans	-83.2	148.9	172.9	-73.6	176.3	-177.5	172.1	0	108.7	E398 F402	E398-K400 PolarHBondContact O-N 3.29Å; K400-F402 PolarHBondContact O-N 3.22Å
401	S	32.2	Very low	32.8	Very low	56 Å²	56	112 Å²	112	39%	0.392	62%	0.622	S	S	.	*			trans	-71.3	122.3	-168.4	56	0	0	0	0	113.3	Q361 S403	Q361-S401 VanDerWaalsContact CD-O 3.3Å; Q361-S401 PolarHBondContact NE2-O 2.7Å; Q361-S401 VanDerWaalsContact NE2-O 3.08Å; Q361-S401 PolarHBondContact NE2-OG 3.36Å; Q361-S401 PolarHBondContact OE1-O 3.01Å; S401-S403 PolarHBondContact O-N 2.74Å
402	F	33.6	Very low	32.7	Very low	76 Å²	76	114.4 Å²	114.4	33%	0.333	62%	0.623	S	S	.	*			trans	8.6	97.7	148.9	-127.3	-66.6	0	0	0	118.7	Y227 Q361 K400 F404	Y227-F402 HydrophobicContact CE2-CD2 4.26Å; Y227-F402 AromaticContact CE2-CE2 3.98Å; Y227-F402 HydrophobicContact CE2-CE2 3.98Å; Q361-F402 PolarHBondContact NE2-O 3.27Å; Q361-F402 PolarHBondContact OE1-O 3Å; K400-F402 PolarHBondContact O-N 3.22Å; F402-F404 AromaticContact CD1-CD2 3.59Å; F402-F404 HydrophobicContact CD1-CD2 3.59Å; F402-F404 AromaticContact CD1-CE2 3.63Å; F402-F404 HydrophobicContact CD1-CE2 3.63Å; F402-F404 AromaticContact CE1-CD2 3.37Å; F402-F404 HydrophobicContact CE1-CD2 3.37Å; F402-F404 HydrophobicContact CE1-CE1 4.33Å; F402-F404 AromaticContact CE1-CE2 3Å; F402-F404 HydrophobicContact CE1-CE2 3Å; F402-F404 HydrophobicContact CE1-CG 4.19Å; F402-F404 AromaticContact CE1-CZ 3.55Å; F402-F404 HydrophobicContact CE1-CZ 3.55Å; F402-F404 AromaticContact CZ-CE2 3.83Å; F402-F404 HydrophobicContact CZ-CE2 3.83Å; F402-F404 HydrophobicContact CZ-CZ 4.08Å
403	S	28.9	Very low	32.8	Very low	36 Å²	36	116.1 Å²	116.1	25%	0.252	62%	0.623	S	S	.	*			trans	-111.1	118.6	157.9	-109.5	0	0	0	0	108.8	T358 Q361 S401	T358-S403 WeakPolarHBondContact CG2-OG 3.5Å; Q361-S403 PolarHBondContact OE1-OG 2.78Å; S401-S403 PolarHBondContact O-N 2.74Å
404	F	31.2	Very low	32.8	Very low	47 Å²	47	116.9 Å²	116.9	21%	0.206	63%	0.625	C	S	.	*			trans	-81.8	119.2	164.2	-88.5	-85.7	0	0	0	106	E354 F402	E354-F404 WeakPolarHBondContact CG-O 3.36Å; E354-F404 VanDerWaalsContact OE1-CB 3.32Å; E354-F404 WeakPolarHBondContact OE1-CB 3.33Å; F402-F404 AromaticContact CD1-CD2 3.59Å; F402-F404 HydrophobicContact CD1-CD2 3.59Å; F402-F404 AromaticContact CD1-CE2 3.63Å; F402-F404 HydrophobicContact CD1-CE2 3.63Å; F402-F404 AromaticContact CE1-CD2 3.37Å; F402-F404 HydrophobicContact CE1-CD2 3.37Å; F402-F404 HydrophobicContact CE1-CE1 4.33Å; F402-F404 AromaticContact CE1-CE2 3Å; F402-F404 HydrophobicContact CE1-CE2 3Å; F402-F404 HydrophobicContact CE1-CG 4.19Å; F402-F404 AromaticContact CE1-CZ 3.55Å; F402-F404 HydrophobicContact CE1-CZ 3.55Å; F402-F404 AromaticContact CZ-CE2 3.83Å; F402-F404 HydrophobicContact CZ-CE2 3.83Å; F402-F404 HydrophobicContact CZ-CZ 4.08Å
405	N	30.7	Very low	32.8	Very low	42 Å²	42	119.3 Å²	119.3	23%	0.225	63%	0.627	C	S	.	*			trans	-149.9	124.8	162.8	-91.7	13.2	0	0	0	106.8	E354 D355	E354-N405 WeakPolarHBondContact CA-OD1 3.5Å; E354-N405 WeakPolarHBondContact CB-OD1 3.14Å; E354-N405 WeakPolarHBondContact CG-OD1 3.13Å; E354-N405 PolarHBondContact O-OD1 2.81Å; E354-N405 VanDerWaalsContact OE2-CA 3.27Å; E354-N405 WeakPolarHBondContact OE2-CA 3.43Å; D355-N405 PolarHBondContact OD1-ND2 3.36Å
406	N	30.8	Very low	33	Very low	126 Å²	126	118.1 Å²	118.1	67%	0.674	62%	0.62	S	S	*	*			trans	104.2	79.6	162.7	-51.9	-24.4	0	0	0	117.9
407	V	29.2	Very low	32.8	Very low	104 Å²	104	120.7 Å²	120.7	63%	0.63	63%	0.628	S	S	*	*			trans	-134.6	72.9	143.5	-171.8	0	0	0	0	109.5
408	T	29.8	Very low	33.1	Very low	125 Å²	125	122.7 Å²	122.7	77%	0.767	63%	0.632	S	S	*	*			trans	-146.8	71.8	163	53.2	0	0	0	0	108.9
409	D	30.1	Very low	33.3	Very low	152 Å²	152	122.2 Å²	122.2	81%	0.813	64%	0.635	S	S	*	*	S	Bend	trans	-155	5.7	170	-96.4	-28.5	0	0	0	116.4
410	E	31.9	Very low	33.2	Very low	189 Å²	189	125.7 Å²	125.7	88%	0.883	65%	0.654	S	S	*	*	S	Bend	trans	-120	10.1	-179.5	-74.8	-164.8	154.4	0	0	116.6
411	I	34.4	Very low	33.7	Very low	162 Å²	162	126.2 Å²	126.2	83%	0.831	67%	0.668	S	S	*	*	S	Bend	trans	-111	-6.9	174.6	-63	178.7	0	0	0	113.4
412	E	33.7	Very low	34.1	Very low	150 Å²	150	133.7 Å²	133.7	70%	0.701	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	5.3	-179.4	-78.9	-160.6	165.8	0	0	116.4
413	N	32.5	Very low	34.1	Very low	144 Å²	144	136.6 Å²	136.6	77%	0.77	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	12.2	-178.1	-84.5	-34.7	0	0	0	116
414	V	36.9	Very low	34.4	Very low	137 Å²	137	141.9 Å²	141.9	83%	0.83	76%	0.756	S	S	*	*	S	Bend	trans	-111.2	-14.5	174.8	-178.5	0	0	0	0	113.5
415	E	35.4	Very low	34.6	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	79%	0.787	S	S	*	*	S	Bend	trans	-103.4	15.4	-177.9	-72.8	-169	152.4	0	0	115.7
416	K	36.1	Very low	34.8	Very low	164 Å²	164	153.4 Å²	153.4	71%	0.713	82%	0.82	S	S	*	*	S	Bend	trans	-116.3	12.6	-179.3	-82.1	178.7	-177.5	157.8	0	116.7
417	N	36.5	Very low	35.1	Very low	151 Å²	151	155.1 Å²	155.1	81%	0.807	83%	0.829	S	S	*	*	S	Bend	trans	-113.1	4.4	-179.2	-90.2	-12	0	0	0	117.5
418	D	39.3	Very low	35.5	Very low	160 Å²	160	158.5 Å²	158.5	86%	0.856	84%	0.842	S	S	*	*	S	Bend	trans	-100.5	15.5	-179.7	-80.5	-12.7	0	0	0	115.5
419	N	37.1	Very low	35.9	Very low	153 Å²	153	160.9 Å²	160.9	82%	0.818	85%	0.847	S	S	*	*	S	Bend	trans	-129.4	72.1	174.5	-76.7	-37.8	0	0	0	111.5
420	N	36	Very low	36.3	Very low	155 Å²	155	161.5 Å²	161.5	83%	0.829	85%	0.85	S	S	*	*			trans	173	87.7	151.3	-94.7	-25.4	0	0	0	111.8
421	T	41.6	Very low	36.7	Very low	137 Å²	137	159.3 Å²	159.3	84%	0.84	85%	0.847	S	S	*	*			trans	-174	115.8	138	5.2	0	0	0	0	110.6
422	T	40.9	Very low	36.9	Very low	213 Å²	213	159 Å²	159	100%	1.307	85%	0.849	S	S	*	*			trans	40.8	0	153.1	19.8	0	0	0	0	121.6

Retrieved 422 of 422 residues in 963.2 ms (Link to these results)

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