A0A087WP50_MOUSE Loading...

ABPA15_a17

AlphaFold DB , UniProt , Accession A0A087WP50, Species MOUSE (Mus musculus, Mouse), Gene Scgb1b17, Length 93 aa.

						>A0A087WP50_MOUSE|A0A087WP50|Scgb1b17
MMLAGAVVIFGVALLLLSSWGDCGICPAMKEDVHLFLNGTSEEYVEYVKQYKDDPEILENTEKIKQCVDSTLMEEDKAHANGFIEKIEASPLC
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.1	Low	71	Confident	232 Å²	232	111.2 Å²	111.2	100%	1.143	64%	0.637	S	S	*	*				0	-16.1	0	-56.4	-165.9	-66	0	113.9
2	M	63.8	Low	71.3	Confident	179 Å²	179	108.1 Å²	108.1	88%	0.882	62%	0.622	S	S	*	*	H	α-helix	trans	-75.1	-23.6	-178.8	-64.2	174.1	76.6	0	115.2	A4	M2-A4 PolarHBondContact O-N 3.27Å
3	L	67.5	Low	71.4	Confident	152 Å²	152	103.2 Å²	103.2	80%	0.796	60%	0.602	S	S	*	*	H	α-helix	trans	-66.6	-34.6	-178.5	-98.3	145.7	0	0	113.4	V7	L3-V7 WeakPolarHBondContact O-CG2 3.38Å; L3-V7 PolarHBondContact O-N 3.09Å
4	A	71.1	Confident	71.2	Confident	67 Å²	67	103.6 Å²	103.6	55%	0.554	60%	0.6	S	S	*	*	H	α-helix	trans	-67.8	-38.7	-179.2	0	0	0	0	112.2	M2 V7 V8	M2-A4 PolarHBondContact O-N 3.27Å; A4-V7 PolarHBondContact O-N 3.09Å; A4-V8 WeakPolarHBondContact O-CG2 3.43Å; A4-V8 PolarHBondContact O-N 3.19Å
5	G	67.5	Low	70.9	Confident	39 Å²	39	104.7 Å²	104.7	40%	0.402	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-40	179.3	0	0	0	0	113.1	V8 I9	G5-V8 PolarHBondContact O-N 3.12Å; G5-I9 WeakPolarHBondContact O-CG1 3.43Å; G5-I9 PolarHBondContact O-N 3.2Å; G5-I9 VanDerWaalsContact O-N 3.13Å
6	A	73.8	Confident	70.6	Confident	53 Å²	53	105.4 Å²	105.4	44%	0.438	60%	0.602	S	S	.	*	H	α-helix	trans	-65.5	-39.6	178.2	0	0	0	0	112.5	I9 F10	A6-I9 PolarHBondContact O-N 3.01Å; A6-F10 PolarHBondContact O-N 3.48Å
7	V	75.8	Confident	70.2	Confident	102 Å²	102	106.9 Å²	106.9	62%	0.618	61%	0.607	S	S	*	*	H	α-helix	trans	-67.1	-39.2	178.3	176.7	0	0	0	111.3	L3 A4 F10 G11	L3-V7 WeakPolarHBondContact O-CG2 3.38Å; L3-V7 PolarHBondContact O-N 3.09Å; A4-V7 PolarHBondContact O-N 3.09Å; V7-F10 PolarHBondContact O-N 3.23Å; V7-G11 PolarHBondContact O-N 3.01Å
8	V	77.6	Confident	69.6	Low	96 Å²	96	105.6 Å²	105.6	58%	0.582	61%	0.605	S	S	*	*	H	α-helix	trans	-65.3	-42.5	177.1	175.8	0	0	0	111.1	A4 G5 G11 V12	A4-V8 WeakPolarHBondContact O-CG2 3.43Å; A4-V8 PolarHBondContact O-N 3.19Å; G5-V8 PolarHBondContact O-N 3.12Å; V8-G11 PolarHBondContact O-N 3.27Å; V8-V12 HydrophobicContact CG1-CG2 4.45Å; V8-V12 WeakPolarHBondContact O-CG2 3.21Å; V8-V12 PolarHBondContact O-N 3.06Å
9	I	77.7	Confident	68.8	Low	122 Å²	122	104.3 Å²	104.3	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-64.4	-43.4	177.4	-65.7	168.3	0	0	111	G5 A6 G11 V12 A13	G5-I9 WeakPolarHBondContact O-CG1 3.43Å; G5-I9 PolarHBondContact O-N 3.2Å; G5-I9 VanDerWaalsContact O-N 3.13Å; A6-I9 PolarHBondContact O-N 3.01Å; I9-G11 VanDerWaalsContact C-N 3.35Å; I9-G11 PolarHBondContact O-N 2.92Å; I9-V12 PolarHBondContact O-N 2.84Å; I9-A13 WeakPolarHBondContact O-CB 3.37Å; I9-A13 PolarHBondContact O-N 3.23Å
10	F	75	Confident	68.1	Low	151 Å²	151	106.4 Å²	106.4	66%	0.662	60%	0.601	S	S	*	*	H	α-helix	trans	-62.9	-40.6	175.4	-104.3	-88.6	0	0	112.3	A6 V7 A13 L14	A6-F10 PolarHBondContact O-N 3.48Å; V7-F10 PolarHBondContact O-N 3.23Å; F10-A13 PolarHBondContact O-N 3.46Å; F10-L14 WeakPolarHBondContact O-CB 3.43Å; F10-L14 WeakPolarHBondContact O-CD1 3.3Å; F10-L14 WeakPolarHBondContact O-CG 3.39Å; F10-L14 PolarHBondContact O-N 3.27Å
11	G	77	Confident	67.7	Low	30 Å²	30	103.3 Å²	103.3	31%	0.309	59%	0.593	S	S	.	*	H	α-helix	trans	-63.3	-44.1	176.5	0	0	0	0	112.7	V7 V8 I9 L14 L15	V7-G11 PolarHBondContact O-N 3.01Å; V8-G11 PolarHBondContact O-N 3.27Å; I9-G11 VanDerWaalsContact C-N 3.35Å; I9-G11 PolarHBondContact O-N 2.92Å; G11-L14 PolarHBondContact O-N 2.98Å; G11-L15 WeakPolarHBondContact O-CB 3.48Å; G11-L15 VanDerWaalsContact O-CG 3.32Å; G11-L15 WeakPolarHBondContact O-CG 3.2Å; G11-L15 PolarHBondContact O-N 3.12Å
12	V	74.1	Confident	68.1	Low	74 Å²	74	100.6 Å²	100.6	45%	0.448	58%	0.583	S	S	.	*	H	α-helix	trans	-67.9	-40.5	176.8	175.3	0	0	0	111.3	V8 I9 L14 L15 L16	V8-V12 HydrophobicContact CG1-CG2 4.45Å; V8-V12 WeakPolarHBondContact O-CG2 3.21Å; V8-V12 PolarHBondContact O-N 3.06Å; I9-V12 PolarHBondContact O-N 2.84Å; V12-L14 PolarHBondContact O-N 3.27Å; V12-L15 PolarHBondContact O-N 3.47Å; V12-L16 HydrophobicContact CG1-CD1 3.85Å; V12-L16 HydrophobicContact CG1-CG 4.23Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.38Å; V12-L16 PolarHBondContact O-N 3.46Å
13	A	72.8	Confident	68.3	Low	44 Å²	44	95.6 Å²	95.6	36%	0.364	57%	0.565	S	S	.	*	H	α-helix	trans	-61.9	-42.7	175.3	0	0	0	0	111.8	I9 F10 L16 L17	I9-A13 WeakPolarHBondContact O-CB 3.37Å; I9-A13 PolarHBondContact O-N 3.23Å; F10-A13 PolarHBondContact O-N 3.46Å; A13-L16 PolarHBondContact O-N 3Å; A13-L17 WeakPolarHBondContact O-CB 3.47Å; A13-L17 WeakPolarHBondContact O-CD1 3.41Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.44Å
14	L	69	Low	68.8	Low	110 Å²	110	89.9 Å²	89.9	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-63.9	-40.8	174.5	-76.1	161.1	0	0	112	F10 G11 V12 L17 S18	F10-L14 WeakPolarHBondContact O-CB 3.43Å; F10-L14 WeakPolarHBondContact O-CD1 3.3Å; F10-L14 WeakPolarHBondContact O-CG 3.39Å; F10-L14 PolarHBondContact O-N 3.27Å; G11-L14 PolarHBondContact O-N 2.98Å; V12-L14 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-S18 VanDerWaalsContact O-CB 3.26Å; L14-S18 WeakPolarHBondContact O-CB 3.33Å; L14-S18 PolarHBondContact O-N 3.4Å; L14-S18 PolarHBondContact O-OG 2.94Å
15	L	66.8	Low	69.4	Low	119 Å²	119	88.7 Å²	88.7	62%	0.623	53%	0.526	S	S	*	.	H	α-helix	trans	-65.7	-42	177	-73.6	171.9	0	0	112.1	G11 V12 S18 S19	G11-L15 WeakPolarHBondContact O-CB 3.48Å; G11-L15 VanDerWaalsContact O-CG 3.32Å; G11-L15 WeakPolarHBondContact O-CG 3.2Å; G11-L15 PolarHBondContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 3.47Å; L15-S18 WeakPolarHBondContact CA-OG 3.46Å; L15-S18 CarbonylContact O-C 2.67Å; L15-S18 PolarHBondContact O-N 2.64Å; L15-S18 PolarHBondContact O-OG 2.89Å; L15-S19 PolarHBondContact O-N 3.28Å
16	L	66.2	Low	70.3	Confident	117 Å²	117	90.1 Å²	90.1	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-67.5	-34.3	175.2	-70.6	171.1	0	0	112.6	V12 A13 S18 S19	V12-L16 HydrophobicContact CG1-CD1 3.85Å; V12-L16 HydrophobicContact CG1-CG 4.23Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.38Å; V12-L16 PolarHBondContact O-N 3.46Å; A13-L16 PolarHBondContact O-N 3Å; L16-S18 VanDerWaalsContact C-N 3.35Å; L16-S19 PolarHBondContact O-OG 2.99Å
17	L	62.9	Low	71.1	Confident	130 Å²	130	93 Å²	93	68%	0.681	54%	0.543	S	S	*	.	H	α-helix	trans	-72.3	-30.3	172.5	-69.8	168.4	0	0	111.9	A13 L14	A13-L17 WeakPolarHBondContact O-CB 3.47Å; A13-L17 WeakPolarHBondContact O-CD1 3.41Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.44Å; L14-L17 PolarHBondContact O-N 3.31Å
18	S	59.9	Low	71.9	Confident	83 Å²	83	89.5 Å²	89.5	58%	0.58	53%	0.525	S	S	*	.	H	α-helix	trans	-86.7	-17.2	178.2	72.3	0	0	0	114.1	L14 L15 L16 W20	L14-S18 VanDerWaalsContact O-CB 3.26Å; L14-S18 WeakPolarHBondContact O-CB 3.33Å; L14-S18 PolarHBondContact O-N 3.4Å; L14-S18 PolarHBondContact O-OG 2.94Å; L15-S18 WeakPolarHBondContact CA-OG 3.46Å; L15-S18 CarbonylContact O-C 2.67Å; L15-S18 PolarHBondContact O-N 2.64Å; L15-S18 PolarHBondContact O-OG 2.89Å; L16-S18 VanDerWaalsContact C-N 3.35Å; S18-W20 PolarHBondContact O-N 2.95Å
19	S	54.8	Low	72.5	Confident	82 Å²	82	89.4 Å²	89.4	57%	0.573	52%	0.52	S	S	*	.			trans	-74.7	49	157.6	71.9	0	0	0	109	L15 L16 G21	L15-S19 PolarHBondContact O-N 3.28Å; L16-S19 PolarHBondContact O-OG 2.99Å; S19-G21 PolarHBondContact O-N 3.46Å
20	W	54.4	Low	73.2	Confident	146 Å²	146	88 Å²	88	55%	0.553	51%	0.509	S	S	*	.			trans	-61.6	89.2	152.9	-143.7	67.4	0	0	103.6	S18 P91	S18-W20 PolarHBondContact O-N 2.95Å; W20-P91 VanDerWaalsContact CH2-CA 3.43Å; W20-P91 HydrophobicContact CH2-CB 3.82Å; W20-P91 HydrophobicContact CZ2-CB 3.29Å; W20-P91 WeakPolarHBondContact CZ2-O 3.38Å; W20-P91 PolarHBondContact NE1-O 2.97Å
21	G	59.2	Low	74.2	Confident	41 Å²	41	84.9 Å²	84.9	42%	0.423	50%	0.497	S	S	.	.			trans	-51.8	155.8	165	0	0	0	0	107.1	S19 C23	S19-G21 PolarHBondContact O-N 3.46Å; G21-C23 PolarHBondContact O-N 3.35Å
22	D	63.6	Low	75.1	Confident	175 Å²	175	85.2 Å²	85.2	94%	0.936	49%	0.491	S	S	*	.			trans	-54.7	85.7	161.5	-71.6	-50.7	0	0	107.4	G24	D22-G24 PolarHBondContact O-N 3.45Å
23	C	67.8	Low	76.2	Confident	75 Å²	75	83.8 Å²	83.8	51%	0.507	48%	0.483	S	S	.	.			trans	-81.7	-0.4	-176.7	-86.6	0	0	0	110.2	G21 C93	G21-C23 PolarHBondContact O-N 3.35Å; C23-C93 CarbonylContact C-O 3.25Å; C23-C93 WeakPolarHBondContact CA-O 3.4Å; C23-C93 WeakPolarHBondContact CB-O 3.39Å; C23-C93 VanDerWaalsContact CB-OXT 3.28Å; C23-C93 WeakPolarHBondContact CB-OXT 3.21Å
24	G	77.4	Confident	77.3	Confident	31 Å²	31	86.2 Å²	86.2	32%	0.32	49%	0.486	S	S	.	.	S	Bend	trans	-70.6	-174.5	-177	0	0	0	0	110.5	D22 C26 C93	D22-G24 PolarHBondContact O-N 3.45Å; G24-C26 PolarHBondContact O-N 3.3Å; G24-C93 VanDerWaalsContact CA-O 3.25Å; G24-C93 WeakPolarHBondContact CA-O 3.46Å; G24-C93 PolarHBondContact N-O 3.09Å
25	I	83.6	Confident	78.7	Confident	43 Å²	43	81.9 Å²	81.9	22%	0.221	46%	0.463	C	S	.	.			trans	-62.4	126.9	170.8	-63.6	165.2	0	0	107.4	M29 K30 I84 I87 E88	I25-M29 HydrophobicContact CG2-CB 3.46Å; I25-M29 VanDerWaalsContact CG2-CB 3.46Å; I25-K30 HydrophobicContact CG2-CB 4.11Å; I25-I84 HydrophobicContact CD1-CD1 3.92Å; I25-I84 HydrophobicContact CD1-CG2 3.74Å; I25-I87 HydrophobicContact CD1-CB 4.41Å; I25-I87 HydrophobicContact CD1-CG2 4.1Å; I25-I87 HydrophobicContact CG1-CG2 4.02Å; I25-E88 HydrophobicContact CD1-CG 4.32Å
26	C	87.3	Confident	80.1	Confident	68 Å²	68	78.8 Å²	78.8	46%	0.459	45%	0.445	S	S	.	.			trans	-61.9	148.1	178.9	73.4	0	0	0	109.7	G24 A28 M29 K30	G24-C26 PolarHBondContact O-N 3.3Å; C26-A28 PolarHBondContact O-N 3.01Å; C26-M29 PolarHBondContact O-N 3.03Å; C26-M29 WeakPolarHBondContact SG-CG 3.35Å; C26-K30 PolarHBondContact O-N 3.39Å
27	P	89.8	Confident	81.6	Confident	113 Å²	113	73.8 Å²	73.8	73%	0.734	42%	0.419	S	S	*	.	H	α-helix	trans	-53.1	-36.3	-171	-30.2	35.6	0	0	114.6	K30 E31	P27-K30 WeakPolarHBondContact O-CB 3.36Å; P27-K30 PolarHBondContact O-N 3.49Å; P27-E31 PolarHBondContact O-N 3.35Å
28	A	92.6	Very high	83.2	Confident	29 Å²	29	70.6 Å²	70.6	24%	0.24	40%	0.402	C	S	.	.	H	α-helix	trans	-65.5	-39.4	176.9	0	0	0	0	113.2	C26 D32 Y47 Y51	C26-A28 PolarHBondContact O-N 3.01Å; A28-D32 WeakPolarHBondContact O-CB 3.49Å; A28-D32 PolarHBondContact O-N 3.36Å; A28-Y47 WeakPolarHBondContact CA-OH 3.19Å; A28-Y47 PolarHBondContact O-OH 3.33Å; A28-Y51 WeakPolarHBondContact CB-OH 3.23Å
29	M	91.3	Very high	85	Confident	95 Å²	95	67.1 Å²	67.1	47%	0.468	38%	0.38	S	S	.	.	H	α-helix	trans	-73.7	-31.7	176.7	-68.8	-68.3	96.2	0	111.5	I25 C26 D32 V33	I25-M29 HydrophobicContact CG2-CB 3.46Å; I25-M29 VanDerWaalsContact CG2-CB 3.46Å; C26-M29 PolarHBondContact O-N 3.03Å; C26-M29 WeakPolarHBondContact SG-CG 3.35Å; M29-D32 HydrophobicContact CE-CB 4.41Å; M29-V33 WeakPolarHBondContact O-CG2 3.4Å; M29-V33 PolarHBondContact O-N 3.24Å
30	K	92.4	Very high	87	Confident	93 Å²	93	66.7 Å²	66.7	40%	0.404	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-48.5	174.3	-174.5	-172	-173.6	133.4	110.9	I25 C26 P27 V33 H34 E88	I25-K30 HydrophobicContact CG2-CB 4.11Å; C26-K30 PolarHBondContact O-N 3.39Å; P27-K30 WeakPolarHBondContact O-CB 3.36Å; P27-K30 PolarHBondContact O-N 3.49Å; K30-V33 PolarHBondContact O-N 3.36Å; K30-H34 WeakPolarHBondContact O-CB 3.27Å; K30-H34 PolarHBondContact O-N 2.86Å; K30-E88 WeakPolarHBondContact CD-OE1 3.45Å; K30-E88 WeakPolarHBondContact CE-OE1 3.37Å; K30-E88 WeakPolarHBondContact CG-OE1 3.42Å; K30-E88 IonicContact NZ-OE1 2.74Å; K30-E88 PolarHBondContact NZ-OE1 2.92Å; K30-E88 IonicContact NZ-OE2 2.69Å; K30-E88 PolarHBondContact NZ-OE2 3.44Å
31	E	95.4	Very high	89.1	Confident	85 Å²	85	61.2 Å²	61.2	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-66.4	-40.2	178.9	-169.6	64.5	-166.9	0	111.8	P27 V33 H34 L35 Y47	P27-E31 PolarHBondContact O-N 3.35Å; E31-V33 PolarHBondContact O-N 3.2Å; E31-H34 PolarHBondContact O-N 2.75Å; E31-L35 HydrophobicContact CG-CD1 4.01Å; E31-L35 HydrophobicContact CG-CG 4.43Å; E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 WeakPolarHBondContact O-CG 3.48Å; E31-L35 PolarHBondContact O-N 2.79Å; E31-Y47 HydrophobicContact CB-CE2 3.92Å; E31-Y47 HydrophobicContact CG-CD2 3.99Å; E31-Y47 HydrophobicContact CG-CE2 3.45Å; E31-Y47 VanDerWaalsContact CG-CE2 3.45Å
32	D	96.6	Very high	91	Very high	36 Å²	36	67 Å²	67	19%	0.193	37%	0.374	C	S	.	.	H	α-helix	trans	-54.9	-54.8	174.1	-175.8	14.5	0	0	111	A28 M29 H34 L35 F36 Y44 Y47	A28-D32 WeakPolarHBondContact O-CB 3.49Å; A28-D32 PolarHBondContact O-N 3.36Å; M29-D32 HydrophobicContact CE-CB 4.41Å; D32-H34 VanDerWaalsContact C-N 3.33Å; D32-H34 PolarHBondContact O-N 3.35Å; D32-L35 PolarHBondContact O-N 2.66Å; D32-F36 WeakPolarHBondContact O-CB 3.48Å; D32-F36 PolarHBondContact O-N 3.37Å; D32-Y44 WeakPolarHBondContact OD1-CE2 3.35Å; D32-Y44 PolarHBondContact OD1-OH 2.93Å; D32-Y47 HydrophobicContact CB-CE1 3.77Å
33	V	95.5	Very high	92.6	Very high	45 Å²	45	63.5 Å²	63.5	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-38.8	179.2	175.8	0	0	0	111.7	M29 K30 E31 F36 L37 I84	M29-V33 WeakPolarHBondContact O-CG2 3.4Å; M29-V33 PolarHBondContact O-N 3.24Å; K30-V33 PolarHBondContact O-N 3.36Å; E31-V33 PolarHBondContact O-N 3.2Å; V33-F36 PolarHBondContact O-N 2.92Å; V33-L37 HydrophobicContact CG1-CD1 3.74Å; V33-L37 HydrophobicContact CG1-CG 4.31Å; V33-L37 WeakPolarHBondContact O-CB 3.39Å; V33-L37 WeakPolarHBondContact O-CG 3.29Å; V33-L37 PolarHBondContact O-N 3.44Å; V33-I84 HydrophobicContact CG1-CD1 4.28Å; V33-I84 HydrophobicContact CG1-CG1 3.96Å
34	H	96.3	Very high	94.1	Very high	94 Å²	94	61.1 Å²	61.1	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-50.2	178.3	179.1	65.7	0	0	111.7	K30 E31 D32 L37 N38	K30-H34 WeakPolarHBondContact O-CB 3.27Å; K30-H34 PolarHBondContact O-N 2.86Å; E31-H34 PolarHBondContact O-N 2.75Å; D32-H34 VanDerWaalsContact C-N 3.33Å; D32-H34 PolarHBondContact O-N 3.35Å; H34-L37 PolarHBondContact O-N 3.26Å; H34-N38 PolarHBondContact ND1-ND2 2.79Å; H34-N38 WeakPolarHBondContact O-CB 3.3Å; H34-N38 PolarHBondContact O-N 2.91Å; H34-N38 PolarHBondContact O-ND2 2.83Å; H34-N38 VanDerWaalsContact O-ND2 3.1Å
35	L	98	Very high	95.1	Very high	19 Å²	19	60.9 Å²	60.9	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-69.3	-36	178.7	-69	173.2	0	0	111.8	E31 D32 L37 G39 E43 Y44 Y47 K65	E31-L35 HydrophobicContact CG-CD1 4.01Å; E31-L35 HydrophobicContact CG-CG 4.43Å; E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 WeakPolarHBondContact O-CG 3.48Å; E31-L35 PolarHBondContact O-N 2.79Å; D32-L35 PolarHBondContact O-N 2.66Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.92Å; L35-G39 VanDerWaalsContact O-CA 3.27Å; L35-G39 WeakPolarHBondContact O-CA 3.11Å; L35-G39 PolarHBondContact O-N 3.2Å; L35-E43 HydrophobicContact CD2-CB 4.23Å; L35-Y44 HydrophobicContact CB-CD2 3.7Å; L35-Y44 HydrophobicContact CB-CE2 4.47Å; L35-Y47 VanDerWaalsContact CD1-CB 3.43Å; L35-Y47 HydrophobicContact CD1-CD1 4.1Å; L35-Y47 HydrophobicContact CD1-CD2 3.55Å; L35-Y47 HydrophobicContact CD1-CE2 4.37Å; L35-Y47 HydrophobicContact CD1-CG 3.41Å; L35-Y47 VanDerWaalsContact CD1-CG 3.41Å; L35-K65 WeakPolarHBondContact O-CE 3.46Å
36	F	97.8	Very high	95.8	Very high	55 Å²	55	64.3 Å²	64.3	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-42.9	176.4	-174.8	-112.7	0	0	112.3	D32 V33 Y44 I64 K65 V68	D32-F36 WeakPolarHBondContact O-CB 3.48Å; D32-F36 PolarHBondContact O-N 3.37Å; V33-F36 PolarHBondContact O-N 2.92Å; F36-Y44 HydrophobicContact CB-CD2 4.25Å; F36-Y44 HydrophobicContact CB-CE2 3.73Å; F36-Y44 HydrophobicContact CD2-CD1 4.23Å; F36-Y44 AromaticContact CD2-CE1 3.51Å; F36-Y44 HydrophobicContact CD2-CE1 3.51Å; F36-Y44 HydrophobicContact CD2-CE2 4.11Å; F36-Y44 AromaticContact CD2-CZ 3.46Å; F36-Y44 VanDerWaalsContact CD2-CZ 3.46Å; F36-Y44 HydrophobicContact CE2-CE1 4.15Å; F36-Y44 HydrophobicContact CG-CE2 4.43Å; F36-I64 HydrophobicContact CE2-CG2 3.8Å; F36-I64 HydrophobicContact CZ-CG2 4.03Å; F36-K65 HydrophobicContact CD2-CD 4.37Å; F36-K65 WeakPolarHBondContact O-CD 3.21Å; F36-K65 WeakPolarHBondContact O-CE 3.25Å; F36-K65 PolarHBondContact O-NZ 2.85Å; F36-V68 HydrophobicContact CE1-CG1 4.49Å; F36-V68 HydrophobicContact CE1-CG2 3.85Å; F36-V68 HydrophobicContact CE2-CG2 3.97Å; F36-V68 HydrophobicContact CZ-CG2 3.42Å; F36-V68 VanDerWaalsContact CZ-CG2 3.42Å
37	L	97.2	Very high	96.3	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-84.7	-42.1	-178.2	-66.2	174.8	0	0	112.9	V33 H34 L35 L72 K77 A80 N81	V33-L37 HydrophobicContact CG1-CD1 3.74Å; V33-L37 HydrophobicContact CG1-CG 4.31Å; V33-L37 WeakPolarHBondContact O-CB 3.39Å; V33-L37 WeakPolarHBondContact O-CG 3.29Å; V33-L37 PolarHBondContact O-N 3.44Å; H34-L37 PolarHBondContact O-N 3.26Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.92Å; L37-L72 HydrophobicContact CD2-CD1 4.17Å; L37-K77 VanDerWaalsContact O-CD 3.24Å; L37-K77 WeakPolarHBondContact O-CD 3.27Å; L37-K77 WeakPolarHBondContact O-CE 3.2Å; L37-K77 PolarHBondContact O-NZ 3.5Å; L37-A80 HydrophobicContact CD1-CB 3.68Å; L37-A80 HydrophobicContact CD2-CB 4.25Å; L37-N81 WeakPolarHBondContact CD1-OD1 3.33Å
38	N	96.6	Very high	96.7	Very high	63 Å²	63	58.2 Å²	58.2	34%	0.337	30%	0.295	S	S	.	.	H	α-helix	trans	-119.3	-19.1	-164.5	-46.4	-70.4	0	0	113.9	H34 N81	H34-N38 PolarHBondContact ND1-ND2 2.79Å; H34-N38 WeakPolarHBondContact O-CB 3.3Å; H34-N38 PolarHBondContact O-N 2.91Å; H34-N38 PolarHBondContact O-ND2 2.83Å; H34-N38 VanDerWaalsContact O-ND2 3.1Å; N38-N81 PolarHBondContact ND2-OD1 3.42Å; N38-N81 PolarHBondContact OD1-ND2 3.38Å; N38-N81 VanDerWaalsContact OD1-ND2 3.11Å
39	G	97.4	Very high	97	Very high	11 Å²	11	60.4 Å²	60.4	11%	0.113	30%	0.299	C	S	.	.	S	Bend	trans	-76.1	165.7	178.6	0	0	0	0	112.6	L35 K65	L35-G39 VanDerWaalsContact O-CA 3.27Å; L35-G39 WeakPolarHBondContact O-CA 3.11Å; L35-G39 PolarHBondContact O-N 3.2Å; G39-K65 VanDerWaalsContact O-CE 3.29Å; G39-K65 WeakPolarHBondContact O-CE 3.43Å; G39-K65 PolarHBondContact O-NZ 2.92Å
40	T	97.6	Very high	97.3	Very high	73 Å²	73	61.8 Å²	61.8	45%	0.448	31%	0.305	S	S	.	.			trans	-72.7	162.5	168.6	62.9	0	0	0	111.2	E42 E43 Y44	T40-E42 VanDerWaalsContact C-N 3.25Å; T40-E42 PolarHBondContact O-N 2.94Å; T40-E43 WeakPolarHBondContact CB-OE2 3.12Å; T40-E43 WeakPolarHBondContact CG2-OE2 3.49Å; T40-E43 PolarHBondContact N-OE2 2.98Å; T40-E43 PolarHBondContact O-N 3.39Å; T40-E43 WeakPolarHBondContact OG1-CB 3.33Å; T40-E43 VanDerWaalsContact OG1-CD 3.23Å; T40-E43 WeakPolarHBondContact OG1-CG 3.34Å; T40-E43 PolarHBondContact OG1-N 3.16Å; T40-E43 PolarHBondContact OG1-OE2 3.5Å; T40-Y44 WeakPolarHBondContact O-CB 3.33Å; T40-Y44 PolarHBondContact O-N 3.48Å
41	S	97.7	Very high	97.5	Very high	30 Å²	30	64 Å²	64	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-37.1	175.7	-45.9	0	0	0	112.5	V45	S41-V45 WeakPolarHBondContact O-CB 3.17Å; S41-V45 WeakPolarHBondContact O-CG2 3.45Å; S41-V45 PolarHBondContact O-N 2.87Å
42	E	98.1	Very high	97.5	Very high	162 Å²	162	65.2 Å²	65.2	76%	0.757	32%	0.316	S	S	*	.	H	α-helix	trans	-64.9	-50.3	177	-176.6	176.4	-177.6	0	111.7	T40 Y44 V45 E46	T40-E42 VanDerWaalsContact C-N 3.25Å; T40-E42 PolarHBondContact O-N 2.94Å; E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 2.87Å; E42-V45 PolarHBondContact O-N 3.43Å; E42-E46 WeakPolarHBondContact O-CB 3.37Å; E42-E46 PolarHBondContact O-N 2.74Å
43	E	98.4	Very high	97.6	Very high	103 Å²	103	69 Å²	69	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-41.9	178.2	-71.4	163.3	144.8	0	111.6	L35 T40 Y47	L35-E43 HydrophobicContact CD2-CB 4.23Å; T40-E43 WeakPolarHBondContact CB-OE2 3.12Å; T40-E43 WeakPolarHBondContact CG2-OE2 3.49Å; T40-E43 PolarHBondContact N-OE2 2.98Å; T40-E43 PolarHBondContact O-N 3.39Å; T40-E43 WeakPolarHBondContact OG1-CB 3.33Å; T40-E43 VanDerWaalsContact OG1-CD 3.23Å; T40-E43 WeakPolarHBondContact OG1-CG 3.34Å; T40-E43 PolarHBondContact OG1-N 3.16Å; T40-E43 PolarHBondContact OG1-OE2 3.5Å; E43-Y47 WeakPolarHBondContact O-CB 3.39Å; E43-Y47 PolarHBondContact O-N 2.72Å
44	Y	98.5	Very high	97.8	Very high	25 Å²	25	69.4 Å²	69.4	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-44.4	-180	-172.2	-119.5	0	0	112.7	D32 L35 F36 T40 E42 Y47 V48 T61 K65	D32-Y44 WeakPolarHBondContact OD1-CE2 3.35Å; D32-Y44 PolarHBondContact OD1-OH 2.93Å; L35-Y44 HydrophobicContact CB-CD2 3.7Å; L35-Y44 HydrophobicContact CB-CE2 4.47Å; F36-Y44 HydrophobicContact CB-CD2 4.25Å; F36-Y44 HydrophobicContact CB-CE2 3.73Å; F36-Y44 HydrophobicContact CD2-CD1 4.23Å; F36-Y44 AromaticContact CD2-CE1 3.51Å; F36-Y44 HydrophobicContact CD2-CE1 3.51Å; F36-Y44 HydrophobicContact CD2-CE2 4.11Å; F36-Y44 AromaticContact CD2-CZ 3.46Å; F36-Y44 VanDerWaalsContact CD2-CZ 3.46Å; F36-Y44 HydrophobicContact CE2-CE1 4.15Å; F36-Y44 HydrophobicContact CG-CE2 4.43Å; T40-Y44 WeakPolarHBondContact O-CB 3.33Å; T40-Y44 PolarHBondContact O-N 3.48Å; E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 2.87Å; Y44-Y47 PolarHBondContact O-N 3.45Å; Y44-V48 HydrophobicContact CE1-CG2 4.17Å; Y44-V48 HydrophobicContact CE2-CG2 4.16Å; Y44-V48 WeakPolarHBondContact O-CG2 3.35Å; Y44-V48 PolarHBondContact O-N 3.44Å; Y44-T61 HydrophobicContact CD1-CG2 3.64Å; Y44-T61 HydrophobicContact CE1-CG2 3.54Å; Y44-K65 HydrophobicContact CD1-CB 3.96Å; Y44-K65 HydrophobicContact CD1-CD 3.87Å; Y44-K65 HydrophobicContact CD1-CG 3.98Å; Y44-K65 HydrophobicContact CG-CD 4.11Å; Y44-K65 HydrophobicContact CG-CG 4.41Å
45	V	98.4	Very high	97.8	Very high	26 Å²	26	70 Å²	70	16%	0.158	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-42.7	178.1	170.4	0	0	0	111	S41 E42 Y47 V48 K49 L58 T61 E62	S41-V45 WeakPolarHBondContact O-CB 3.17Å; S41-V45 WeakPolarHBondContact O-CG2 3.45Å; S41-V45 PolarHBondContact O-N 2.87Å; E42-V45 PolarHBondContact O-N 3.43Å; V45-Y47 VanDerWaalsContact C-N 3.3Å; V45-Y47 PolarHBondContact O-N 2.95Å; V45-V48 PolarHBondContact O-N 3.49Å; V45-K49 WeakPolarHBondContact O-CB 3.24Å; V45-K49 PolarHBondContact O-N 3.04Å; V45-L58 HydrophobicContact CG1-CB 4.29Å; V45-L58 HydrophobicContact CG1-CD2 4.23Å; V45-T61 HydrophobicContact CG2-CG2 4Å; V45-E62 HydrophobicContact CG2-CB 3.82Å; V45-E62 HydrophobicContact CG2-CG 4.26Å
46	E	98.5	Very high	97.9	Very high	115 Å²	115	75.7 Å²	75.7	54%	0.537	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-37.3	177.2	-171.1	60.8	-160	0	111.5	E42 K49 Q50	E42-E46 WeakPolarHBondContact O-CB 3.37Å; E42-E46 PolarHBondContact O-N 2.74Å; E46-K49 WeakPolarHBondContact O-CB 3.48Å; E46-K49 PolarHBondContact O-N 2.64Å; E46-K49 IonicContact OE2-NZ 3.9Å; E46-Q50 PolarHBondContact O-N 3.44Å
47	Y	98.5	Very high	97.9	Very high	30 Å²	30	76.3 Å²	76.3	12%	0.118	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-45.5	173.3	-179.2	-94.6	0	0	112.6	A28 E31 D32 L35 E43 Y44 V45 K49 Q50 Y51	A28-Y47 WeakPolarHBondContact CA-OH 3.19Å; A28-Y47 PolarHBondContact O-OH 3.33Å; E31-Y47 HydrophobicContact CB-CE2 3.92Å; E31-Y47 HydrophobicContact CG-CD2 3.99Å; E31-Y47 HydrophobicContact CG-CE2 3.45Å; E31-Y47 VanDerWaalsContact CG-CE2 3.45Å; D32-Y47 HydrophobicContact CB-CE1 3.77Å; L35-Y47 VanDerWaalsContact CD1-CB 3.43Å; L35-Y47 HydrophobicContact CD1-CD1 4.1Å; L35-Y47 HydrophobicContact CD1-CD2 3.55Å; L35-Y47 HydrophobicContact CD1-CE2 4.37Å; L35-Y47 HydrophobicContact CD1-CG 3.41Å; L35-Y47 VanDerWaalsContact CD1-CG 3.41Å; E43-Y47 WeakPolarHBondContact O-CB 3.39Å; E43-Y47 PolarHBondContact O-N 2.72Å; Y44-Y47 PolarHBondContact O-N 3.45Å; V45-Y47 VanDerWaalsContact C-N 3.3Å; V45-Y47 PolarHBondContact O-N 2.95Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.35Å; Y47-Q50 WeakPolarHBondContact O-CG 3.46Å; Y47-Q50 PolarHBondContact O-N 3.02Å; Y47-Q50 PolarHBondContact O-NE2 3.02Å; Y47-Y51 HydrophobicContact CD1-CE2 4.45Å; Y47-Y51 HydrophobicContact CE1-CD2 4.43Å; Y47-Y51 AromaticContact CE1-CE2 3.8Å; Y47-Y51 HydrophobicContact CE1-CE2 3.8Å; Y47-Y51 HydrophobicContact CE2-CE2 4.24Å; Y47-Y51 AromaticContact CZ-CE2 3.66Å; Y47-Y51 PolarHBondContact OH-OH 2.93Å
48	V	98	Very high	97.9	Very high	23 Å²	23	76.9 Å²	76.9	14%	0.139	38%	0.383	C	S	.	.	H	α-helix	trans	-65.5	-37.2	177.9	172	0	0	0	111.4	Y44 V45 Q50 Y51 K52 L58 T61	Y44-V48 HydrophobicContact CE1-CG2 4.17Å; Y44-V48 HydrophobicContact CE2-CG2 4.16Å; Y44-V48 WeakPolarHBondContact O-CG2 3.35Å; Y44-V48 PolarHBondContact O-N 3.44Å; V45-V48 PolarHBondContact O-N 3.49Å; V48-Q50 VanDerWaalsContact C-N 3.25Å; V48-Q50 PolarHBondContact O-N 2.89Å; V48-Y51 PolarHBondContact O-N 3.04Å; V48-K52 PolarHBondContact O-N 3.49Å; V48-L58 HydrophobicContact CG1-CD2 4.22Å; V48-T61 HydrophobicContact CB-CG2 4.11Å; V48-T61 HydrophobicContact CG1-CG2 4.36Å; V48-T61 HydrophobicContact CG2-CG2 3.8Å
49	K	98.1	Very high	98	Very high	74 Å²	74	78.8 Å²	78.8	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-57.5	-34.1	-179.6	-177.1	177.6	178.4	-169.7	113.7	V45 E46 Y47 Y51 K52 D53 L58	V45-K49 WeakPolarHBondContact O-CB 3.24Å; V45-K49 PolarHBondContact O-N 3.04Å; E46-K49 WeakPolarHBondContact O-CB 3.48Å; E46-K49 PolarHBondContact O-N 2.64Å; E46-K49 IonicContact OE2-NZ 3.9Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.35Å; K49-Y51 PolarHBondContact O-N 3.35Å; K49-K52 CarbonylContact O-C 3.4Å; K49-K52 PolarHBondContact O-N 3.04Å; K49-D53 WeakPolarHBondContact CE-OD1 3.42Å; K49-D53 HydrophobicContact CG-CB 4Å; K49-D53 PolarHBondContact O-N 2.93Å; K49-L58 HydrophobicContact CB-CD1 4.13Å; K49-L58 HydrophobicContact CB-CD2 3.85Å; K49-L58 HydrophobicContact CD-CD1 4.05Å; K49-L58 HydrophobicContact CG-CD1 3.92Å; K49-L58 HydrophobicContact CG-CD2 4.48Å
50	Q	97.5	Very high	98.1	Very high	124 Å²	124	81.8 Å²	81.8	58%	0.579	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.7	177.6	89.3	-167.7	-67.8	0	112.9	E46 Y47 V48	E46-Q50 PolarHBondContact O-N 3.44Å; Y47-Q50 WeakPolarHBondContact O-CG 3.46Å; Y47-Q50 PolarHBondContact O-N 3.02Å; Y47-Q50 PolarHBondContact O-NE2 3.02Å; V48-Q50 VanDerWaalsContact C-N 3.25Å; V48-Q50 PolarHBondContact O-N 2.89Å
51	Y	96.4	Very high	98.1	Very high	141 Å²	141	79.1 Å²	79.1	55%	0.553	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-35.7	177.6	-66.3	-78.9	0	0	111.7	A28 Y47 V48 K49	A28-Y51 WeakPolarHBondContact CB-OH 3.23Å; Y47-Y51 HydrophobicContact CD1-CE2 4.45Å; Y47-Y51 HydrophobicContact CE1-CD2 4.43Å; Y47-Y51 AromaticContact CE1-CE2 3.8Å; Y47-Y51 HydrophobicContact CE1-CE2 3.8Å; Y47-Y51 HydrophobicContact CE2-CE2 4.24Å; Y47-Y51 AromaticContact CZ-CE2 3.66Å; Y47-Y51 PolarHBondContact OH-OH 2.93Å; V48-Y51 PolarHBondContact O-N 3.04Å; K49-Y51 PolarHBondContact O-N 3.35Å
52	K	97.2	Very high	98.1	Very high	110 Å²	110	81.8 Å²	81.8	48%	0.478	40%	0.396	S	S	.	.			trans	-152.3	95.9	-176.6	-171.1	61.7	172	174.4	111.6	V48 K49 D54 I57	V48-K52 PolarHBondContact O-N 3.49Å; K49-K52 CarbonylContact O-C 3.4Å; K49-K52 PolarHBondContact O-N 3.04Å; K52-D54 VanDerWaalsContact C-N 3.32Å; K52-D54 HydrophobicContact CD-CB 4.36Å; K52-D54 HydrophobicContact CG-CB 4.08Å; K52-D54 PolarHBondContact O-N 3.04Å; K52-D54 VanDerWaalsContact O-N 3.09Å; K52-I57 HydrophobicContact CD-CD1 4.27Å; K52-I57 HydrophobicContact CG-CD1 3.51Å; K52-I57 HydrophobicContact CG-CG2 4.45Å
53	D	98	Very high	98.1	Very high	115 Å²	115	79 Å²	79	62%	0.615	38%	0.381	S	S	*	.			trans	-83.5	77	172.5	-165.2	9.2	0	0	110.4	K49	K49-D53 WeakPolarHBondContact CE-OD1 3.42Å; K49-D53 HydrophobicContact CG-CB 4Å; K49-D53 PolarHBondContact O-N 2.93Å
54	D	98.6	Very high	98.1	Very high	53 Å²	53	78.6 Å²	78.6	28%	0.283	38%	0.381	S	S	.	.			trans	-126.8	121.5	177.3	-179.6	-73.1	0	0	109.4	K52 E56 I57 L58	K52-D54 VanDerWaalsContact C-N 3.32Å; K52-D54 HydrophobicContact CD-CB 4.36Å; K52-D54 HydrophobicContact CG-CB 4.08Å; K52-D54 PolarHBondContact O-N 3.04Å; K52-D54 VanDerWaalsContact O-N 3.09Å; D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 PolarHBondContact O-N 3.39Å; D54-E56 PolarHBondContact OD1-N 3.4Å; D54-E56 VanDerWaalsContact OD1-N 3.09Å; D54-I57 HydrophobicContact CB-CB 4.05Å; D54-I57 HydrophobicContact CB-CD1 3.92Å; D54-I57 HydrophobicContact CB-CG1 4.05Å; D54-I57 PolarHBondContact O-N 3.1Å; D54-I57 VanDerWaalsContact O-N 3.12Å; D54-I57 PolarHBondContact OD1-N 3.31Å; D54-L58 WeakPolarHBondContact O-CG 3.46Å; D54-L58 PolarHBondContact O-N 2.84Å
55	P	98.3	Very high	98.1	Very high	106 Å²	106	77.4 Å²	77.4	69%	0.688	38%	0.377	S	S	*	.	H	α-helix	trans	-57.8	-37.3	-172.1	-27.3	34.6	0	0	114.8	E59	P55-E59 WeakPolarHBondContact O-CB 3.42Å; P55-E59 PolarHBondContact O-N 2.74Å
56	E	98.3	Very high	98.1	Very high	140 Å²	140	80.7 Å²	80.7	65%	0.654	39%	0.39	S	S	*	.	H	α-helix	trans	-71.4	-38.2	-179.6	-174.9	179	177.3	0	110.7	D54 N60	D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 PolarHBondContact O-N 3.39Å; D54-E56 PolarHBondContact OD1-N 3.4Å; D54-E56 VanDerWaalsContact OD1-N 3.09Å; E56-N60 WeakPolarHBondContact O-CB 3.17Å; E56-N60 PolarHBondContact O-N 3.38Å; E56-N60 VanDerWaalsContact O-N 3.12Å
57	I	98.2	Very high	98.1	Very high	67 Å²	67	78.7 Å²	78.7	34%	0.344	39%	0.388	S	S	.	.	H	α-helix	trans	-65.8	-46.1	175	-65.3	178.7	0	0	110.5	K52 D54 N60 T61	K52-I57 HydrophobicContact CD-CD1 4.27Å; K52-I57 HydrophobicContact CG-CD1 3.51Å; K52-I57 HydrophobicContact CG-CG2 4.45Å; D54-I57 HydrophobicContact CB-CB 4.05Å; D54-I57 HydrophobicContact CB-CD1 3.92Å; D54-I57 HydrophobicContact CB-CG1 4.05Å; D54-I57 PolarHBondContact O-N 3.1Å; D54-I57 VanDerWaalsContact O-N 3.12Å; D54-I57 PolarHBondContact OD1-N 3.31Å; I57-N60 PolarHBondContact O-N 3.48Å; I57-T61 WeakPolarHBondContact O-CB 3.1Å; I57-T61 PolarHBondContact O-N 3.03Å; I57-T61 PolarHBondContact O-OG1 3.32Å
58	L	98.6	Very high	98	Very high	24 Å²	24	78 Å²	78	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-39.7	-178.7	-62.8	-178.6	0	0	112.5	V45 V48 K49 D54 N60 T61 E62	V45-L58 HydrophobicContact CG1-CB 4.29Å; V45-L58 HydrophobicContact CG1-CD2 4.23Å; V48-L58 HydrophobicContact CG1-CD2 4.22Å; K49-L58 HydrophobicContact CB-CD1 4.13Å; K49-L58 HydrophobicContact CB-CD2 3.85Å; K49-L58 HydrophobicContact CD-CD1 4.05Å; K49-L58 HydrophobicContact CG-CD1 3.92Å; K49-L58 HydrophobicContact CG-CD2 4.48Å; D54-L58 WeakPolarHBondContact O-CG 3.46Å; D54-L58 PolarHBondContact O-N 2.84Å; L58-N60 VanDerWaalsContact C-N 3.33Å; L58-N60 PolarHBondContact O-N 3.49Å; L58-T61 WeakPolarHBondContact O-CB 3.45Å; L58-T61 PolarHBondContact O-N 3.18Å; L58-E62 PolarHBondContact O-N 2.97Å
59	E	98.4	Very high	98	Very high	103 Å²	103	79.6 Å²	79.6	48%	0.481	40%	0.395	S	S	.	.	H	α-helix	trans	-61.2	-42.5	173.8	-173.9	-173.4	163.7	0	111.4	P55 E62 K63	P55-E59 WeakPolarHBondContact O-CB 3.42Å; P55-E59 PolarHBondContact O-N 2.74Å; E59-E62 PolarHBondContact O-N 3.11Å; E59-K63 WeakPolarHBondContact O-CG 3.48Å; E59-K63 PolarHBondContact O-N 2.74Å; E59-K63 VanDerWaalsContact O-N 3.09Å; E59-K63 VanDerWaalsContact OE1-CE 3.3Å; E59-K63 WeakPolarHBondContact OE1-CE 3.46Å; E59-K63 IonicContact OE1-NZ 2.74Å; E59-K63 PolarHBondContact OE1-NZ 3.02Å
60	N	98.1	Very high	97.9	Very high	73 Å²	73	80.8 Å²	80.8	39%	0.39	41%	0.413	S	S	.	.	H	α-helix	trans	-69.3	-39.7	177.6	-77.1	-14.5	0	0	112.4	E56 I57 L58 E62 K63 I64	E56-N60 WeakPolarHBondContact O-CB 3.17Å; E56-N60 PolarHBondContact O-N 3.38Å; E56-N60 VanDerWaalsContact O-N 3.12Å; I57-N60 PolarHBondContact O-N 3.48Å; L58-N60 VanDerWaalsContact C-N 3.33Å; L58-N60 PolarHBondContact O-N 3.49Å; N60-E62 VanDerWaalsContact C-N 3.31Å; N60-E62 PolarHBondContact O-N 3.14Å; N60-K63 PolarHBondContact O-N 3.03Å; N60-I64 VanDerWaalsContact O-CG1 3.27Å; N60-I64 WeakPolarHBondContact O-CG1 3.43Å; N60-I64 PolarHBondContact O-N 3.42Å
61	T	98.3	Very high	97.9	Very high	17 Å²	17	79.1 Å²	79.1	10%	0.104	41%	0.411	C	S	.	.	H	α-helix	trans	-55.9	-47.6	172.9	-66.9	0	0	0	110.8	Y44 V45 V48 I57 L58 K63 I64 K65	Y44-T61 HydrophobicContact CD1-CG2 3.64Å; Y44-T61 HydrophobicContact CE1-CG2 3.54Å; V45-T61 HydrophobicContact CG2-CG2 4Å; V48-T61 HydrophobicContact CB-CG2 4.11Å; V48-T61 HydrophobicContact CG1-CG2 4.36Å; V48-T61 HydrophobicContact CG2-CG2 3.8Å; I57-T61 WeakPolarHBondContact O-CB 3.1Å; I57-T61 PolarHBondContact O-N 3.03Å; I57-T61 PolarHBondContact O-OG1 3.32Å; L58-T61 WeakPolarHBondContact O-CB 3.45Å; L58-T61 PolarHBondContact O-N 3.18Å; T61-K63 PolarHBondContact O-N 3.1Å; T61-I64 PolarHBondContact O-N 3.11Å; T61-K65 WeakPolarHBondContact O-CB 3.38Å; T61-K65 PolarHBondContact O-N 3.24Å
62	E	98.5	Very high	98	Very high	86 Å²	86	75 Å²	75	40%	0.402	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-46.7	178.1	-167.2	-175.6	177.2	0	111.6	V45 L58 E59 N60 I64 K65 Q66	V45-E62 HydrophobicContact CG2-CB 3.82Å; V45-E62 HydrophobicContact CG2-CG 4.26Å; L58-E62 PolarHBondContact O-N 2.97Å; E59-E62 PolarHBondContact O-N 3.11Å; N60-E62 VanDerWaalsContact C-N 3.31Å; N60-E62 PolarHBondContact O-N 3.14Å; E62-I64 PolarHBondContact O-N 3.29Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-Q66 WeakPolarHBondContact O-CG 3.32Å; E62-Q66 PolarHBondContact O-N 3.22Å; E62-Q66 PolarHBondContact OE1-NE2 2.69Å
63	K	98.4	Very high	97.9	Very high	103 Å²	103	74.9 Å²	74.9	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-60.6	-43.3	178	-74.1	172.5	-174.1	163.8	112.6	E59 N60 T61 K65 Q66 C67	E59-K63 WeakPolarHBondContact O-CG 3.48Å; E59-K63 PolarHBondContact O-N 2.74Å; E59-K63 VanDerWaalsContact O-N 3.09Å; E59-K63 VanDerWaalsContact OE1-CE 3.3Å; E59-K63 WeakPolarHBondContact OE1-CE 3.46Å; E59-K63 IonicContact OE1-NZ 2.74Å; E59-K63 PolarHBondContact OE1-NZ 3.02Å; N60-K63 PolarHBondContact O-N 3.03Å; T61-K63 PolarHBondContact O-N 3.1Å; K63-K65 VanDerWaalsContact C-N 3.33Å; K63-Q66 PolarHBondContact O-N 3.26Å; K63-C67 WeakPolarHBondContact O-CB 3.28Å; K63-C67 PolarHBondContact O-N 3.34Å
64	I	98.2	Very high	97.8	Very high	95 Å²	95	75.9 Å²	75.9	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-43.8	177.3	-68.2	165.8	0	0	109.5	F36 N60 T61 E62 Q66 C67 V68	F36-I64 HydrophobicContact CE2-CG2 3.8Å; F36-I64 HydrophobicContact CZ-CG2 4.03Å; N60-I64 VanDerWaalsContact O-CG1 3.27Å; N60-I64 WeakPolarHBondContact O-CG1 3.43Å; N60-I64 PolarHBondContact O-N 3.42Å; T61-I64 PolarHBondContact O-N 3.11Å; E62-I64 PolarHBondContact O-N 3.29Å; I64-Q66 PolarHBondContact O-N 3.47Å; I64-C67 VanDerWaalsContact O-CB 3.3Å; I64-C67 WeakPolarHBondContact O-CB 3.01Å; I64-C67 PolarHBondContact O-N 2.95Å; I64-C67 VanDerWaalsContact O-N 3.16Å; I64-V68 WeakPolarHBondContact O-CG2 3.42Å; I64-V68 PolarHBondContact O-N 3.28Å
65	K	98.1	Very high	97.7	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-62.4	-44.4	178.5	-172.9	58.2	172.3	84.3	112.2	L35 F36 G39 Y44 T61 E62 K63 C67 V68 D69	L35-K65 WeakPolarHBondContact O-CE 3.46Å; F36-K65 HydrophobicContact CD2-CD 4.37Å; F36-K65 WeakPolarHBondContact O-CD 3.21Å; F36-K65 WeakPolarHBondContact O-CE 3.25Å; F36-K65 PolarHBondContact O-NZ 2.85Å; G39-K65 VanDerWaalsContact O-CE 3.29Å; G39-K65 WeakPolarHBondContact O-CE 3.43Å; G39-K65 PolarHBondContact O-NZ 2.92Å; Y44-K65 HydrophobicContact CD1-CB 3.96Å; Y44-K65 HydrophobicContact CD1-CD 3.87Å; Y44-K65 HydrophobicContact CD1-CG 3.98Å; Y44-K65 HydrophobicContact CG-CD 4.11Å; Y44-K65 HydrophobicContact CG-CG 4.41Å; T61-K65 WeakPolarHBondContact O-CB 3.38Å; T61-K65 PolarHBondContact O-N 3.24Å; E62-K65 PolarHBondContact O-N 2.93Å; K63-K65 VanDerWaalsContact C-N 3.33Å; K65-C67 VanDerWaalsContact C-N 3.29Å; K65-C67 PolarHBondContact O-N 3.41Å; K65-V68 WeakPolarHBondContact O-CB 3.03Å; K65-V68 PolarHBondContact O-N 3.37Å; K65-D69 IonicContact NZ-OD1 3.89Å; K65-D69 PolarHBondContact NZ-OD1 2.91Å; K65-D69 IonicContact NZ-OD2 2.64Å; K65-D69 PolarHBondContact NZ-OD2 3.41Å; K65-D69 WeakPolarHBondContact O-CB 3.33Å; K65-D69 VanDerWaalsContact O-CG 3.31Å; K65-D69 PolarHBondContact O-N 3.47Å
66	Q	98	Very high	97.7	Very high	95 Å²	95	76.6 Å²	76.6	44%	0.444	40%	0.396	S	S	.	.	H	α-helix	trans	-59.6	-40	173.4	-71.9	174	1.4	0	112	E62 K63 I64 D69 S70	E62-Q66 WeakPolarHBondContact O-CG 3.32Å; E62-Q66 PolarHBondContact O-N 3.22Å; E62-Q66 PolarHBondContact OE1-NE2 2.69Å; K63-Q66 PolarHBondContact O-N 3.26Å; I64-Q66 PolarHBondContact O-N 3.47Å; Q66-D69 PolarHBondContact O-N 2.75Å; Q66-S70 WeakPolarHBondContact O-CB 3.28Å; Q66-S70 PolarHBondContact O-N 2.99Å; Q66-S70 PolarHBondContact O-OG 2.93Å
67	C	97.8	Very high	97.6	Very high	73 Å²	73	70.9 Å²	70.9	49%	0.493	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-48.6	174.9	-177.6	0	0	0	111.1	K63 I64 K65 D69 S70 T71	K63-C67 WeakPolarHBondContact O-CB 3.28Å; K63-C67 PolarHBondContact O-N 3.34Å; I64-C67 VanDerWaalsContact O-CB 3.3Å; I64-C67 WeakPolarHBondContact O-CB 3.01Å; I64-C67 PolarHBondContact O-N 2.95Å; I64-C67 VanDerWaalsContact O-N 3.16Å; K65-C67 VanDerWaalsContact C-N 3.29Å; K65-C67 PolarHBondContact O-N 3.41Å; C67-D69 PolarHBondContact O-N 3.42Å; C67-S70 PolarHBondContact O-N 3.01Å; C67-S70 PolarHBondContact O-OG 3.23Å; C67-T71 VanDerWaalsContact O-CB 3.23Å; C67-T71 WeakPolarHBondContact O-CB 3.46Å; C67-T71 PolarHBondContact O-N 2.91Å; C67-T71 PolarHBondContact O-OG1 3.5Å
68	V	97.3	Very high	97.5	Very high	17 Å²	17	70.5 Å²	70.5	10%	0.103	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-48.6	176.8	170.6	0	0	0	111.2	F36 I64 K65 S70 T71 L72	F36-V68 HydrophobicContact CE1-CG1 4.49Å; F36-V68 HydrophobicContact CE1-CG2 3.85Å; F36-V68 HydrophobicContact CE2-CG2 3.97Å; F36-V68 HydrophobicContact CZ-CG2 3.42Å; F36-V68 VanDerWaalsContact CZ-CG2 3.42Å; I64-V68 WeakPolarHBondContact O-CG2 3.42Å; I64-V68 PolarHBondContact O-N 3.28Å; K65-V68 WeakPolarHBondContact O-CB 3.03Å; K65-V68 PolarHBondContact O-N 3.37Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.22Å; V68-T71 PolarHBondContact O-N 2.6Å; V68-L72 HydrophobicContact CG1-CD1 3.82Å; V68-L72 HydrophobicContact CG1-CG 4.12Å; V68-L72 WeakPolarHBondContact O-CB 3.19Å; V68-L72 PolarHBondContact O-N 3.33Å
69	D	97.1	Very high	97.5	Very high	56 Å²	56	76 Å²	76	30%	0.299	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-31.6	-178.2	-71.1	-27.7	0	0	113.2	K65 Q66 C67 K77	K65-D69 IonicContact NZ-OD1 3.89Å; K65-D69 PolarHBondContact NZ-OD1 2.91Å; K65-D69 IonicContact NZ-OD2 2.64Å; K65-D69 PolarHBondContact NZ-OD2 3.41Å; K65-D69 WeakPolarHBondContact O-CB 3.33Å; K65-D69 VanDerWaalsContact O-CG 3.31Å; K65-D69 PolarHBondContact O-N 3.47Å; Q66-D69 PolarHBondContact O-N 2.75Å; C67-D69 PolarHBondContact O-N 3.42Å; D69-K77 IonicContact OD1-NZ 3.44Å
70	S	97.3	Very high	97.3	Very high	99 Å²	99	72.7 Å²	72.7	69%	0.692	39%	0.391	S	S	*	.	H	α-helix	trans	-82.1	-20	176.8	67.9	0	0	0	113.9	Q66 C67 V68	Q66-S70 WeakPolarHBondContact O-CB 3.28Å; Q66-S70 PolarHBondContact O-N 2.99Å; Q66-S70 PolarHBondContact O-OG 2.93Å; C67-S70 PolarHBondContact O-N 3.01Å; C67-S70 PolarHBondContact O-OG 3.23Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.22Å
71	T	98	Very high	97.2	Very high	88 Å²	88	71.2 Å²	71.2	54%	0.54	38%	0.383	S	S	.	.	H	α-helix	trans	-105	-46.9	-171.8	-55.1	0	0	0	112.2	C67 V68 M73	C67-T71 VanDerWaalsContact O-CB 3.23Å; C67-T71 WeakPolarHBondContact O-CB 3.46Å; C67-T71 PolarHBondContact O-N 2.91Å; C67-T71 PolarHBondContact O-OG1 3.5Å; V68-T71 PolarHBondContact O-N 2.6Å; T71-M73 PolarHBondContact O-N 3.27Å
72	L	96.9	Very high	97	Very high	55 Å²	55	71.5 Å²	71.5	29%	0.288	39%	0.388	S	S	.	.			trans	-82.6	121	-173.7	-61.1	-165.3	0	0	110.3	L37 V68 D76 K77	L37-L72 HydrophobicContact CD2-CD1 4.17Å; V68-L72 HydrophobicContact CG1-CD1 3.82Å; V68-L72 HydrophobicContact CG1-CG 4.12Å; V68-L72 WeakPolarHBondContact O-CB 3.19Å; V68-L72 PolarHBondContact O-N 3.33Å; L72-D76 HydrophobicContact CB-CB 4.13Å; L72-D76 HydrophobicContact CD2-CB 4.17Å; L72-K77 HydrophobicContact CB-CG 4.22Å
73	M	96	Very high	96.8	Very high	107 Å²	107	73.7 Å²	73.7	53%	0.527	40%	0.397	S	S	.	.			trans	-74.2	164	171	-61.5	-177.6	-69.4	0	110	T71 E75 D76 K77	T71-M73 PolarHBondContact O-N 3.27Å; M73-E75 HydrophobicContact CB-CG 3.92Å; M73-E75 HydrophobicContact CE-CG 4.08Å; M73-E75 WeakPolarHBondContact CE-OE1 3.39Å; M73-E75 PolarHBondContact O-N 3.12Å; M73-E75 VanDerWaalsContact O-N 3.14Å; M73-D76 PolarHBondContact N-OD2 2.91Å; M73-D76 WeakPolarHBondContact O-CB 3.45Å; M73-D76 PolarHBondContact O-N 3Å; M73-K77 PolarHBondContact O-N 3.42Å; M73-K77 VanDerWaalsContact O-N 3.11Å
74	E	95.2	Very high	96.5	Very high	137 Å²	137	70.3 Å²	70.3	64%	0.64	38%	0.384	S	S	*	.	H	α-helix	trans	-56.8	-31.2	177.4	-64	-57.5	121.9	0	112.6	K77 A78	E74-K77 PolarHBondContact O-N 2.88Å; E74-K77 IonicContact OE1-NZ 2.64Å; E74-K77 PolarHBondContact OE1-NZ 2.78Å; E74-A78 WeakPolarHBondContact O-CB 3.29Å; E74-A78 PolarHBondContact O-N 3.39Å
75	E	97.1	Very high	96.2	Very high	116 Å²	116	71.9 Å²	71.9	54%	0.542	39%	0.389	S	S	.	.	H	α-helix	trans	-67.4	-38	174.1	58.6	-178	-158.9	0	113.2	M73 A78 H79	M73-E75 HydrophobicContact CB-CG 3.92Å; M73-E75 HydrophobicContact CE-CG 4.08Å; M73-E75 WeakPolarHBondContact CE-OE1 3.39Å; M73-E75 PolarHBondContact O-N 3.12Å; M73-E75 VanDerWaalsContact O-N 3.14Å; E75-A78 PolarHBondContact O-N 3.2Å; E75-H79 VanDerWaalsContact O-CG 3.26Å; E75-H79 PolarHBondContact O-N 3.17Å; E75-H79 PolarHBondContact O-ND1 2.81Å
76	D	97.4	Very high	95.8	Very high	57 Å²	57	79.6 Å²	79.6	31%	0.305	42%	0.422	S	S	.	.	H	α-helix	trans	-66.2	-42.9	176.3	-60.1	-53.2	0	0	110.6	L72 M73 H79 A80	L72-D76 HydrophobicContact CB-CB 4.13Å; L72-D76 HydrophobicContact CD2-CB 4.17Å; M73-D76 PolarHBondContact N-OD2 2.91Å; M73-D76 WeakPolarHBondContact O-CB 3.45Å; M73-D76 PolarHBondContact O-N 3Å; D76-H79 PolarHBondContact O-N 2.86Å; D76-A80 WeakPolarHBondContact O-CB 3.32Å; D76-A80 PolarHBondContact O-N 3.43Å
77	K	96.7	Very high	95.4	Very high	21 Å²	21	77.3 Å²	77.3	9%	0.091	41%	0.413	C	S	.	.	H	α-helix	trans	-63	-44.3	175.9	-63.7	176.3	178.4	-173.9	111.3	L37 D69 L72 M73 E74 H79 A80 N81	L37-K77 VanDerWaalsContact O-CD 3.24Å; L37-K77 WeakPolarHBondContact O-CD 3.27Å; L37-K77 WeakPolarHBondContact O-CE 3.2Å; L37-K77 PolarHBondContact O-NZ 3.5Å; D69-K77 IonicContact OD1-NZ 3.44Å; L72-K77 HydrophobicContact CB-CG 4.22Å; M73-K77 PolarHBondContact O-N 3.42Å; M73-K77 VanDerWaalsContact O-N 3.11Å; E74-K77 PolarHBondContact O-N 2.88Å; E74-K77 IonicContact OE1-NZ 2.64Å; E74-K77 PolarHBondContact OE1-NZ 2.78Å; K77-H79 VanDerWaalsContact C-N 3.35Å; K77-H79 PolarHBondContact O-N 2.87Å; K77-A80 PolarHBondContact O-N 3Å; K77-N81 WeakPolarHBondContact O-CB 3.42Å; K77-N81 VanDerWaalsContact O-CG 3.24Å; K77-N81 PolarHBondContact O-N 2.95Å; K77-N81 PolarHBondContact O-ND2 3.15Å
78	A	96.3	Very high	94.8	Very high	58 Å²	58	76.9 Å²	76.9	48%	0.479	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-41.5	176.4	0	0	0	0	112	E74 E75 N81 G82	E74-A78 WeakPolarHBondContact O-CB 3.29Å; E74-A78 PolarHBondContact O-N 3.39Å; E75-A78 PolarHBondContact O-N 3.2Å; A78-N81 PolarHBondContact O-N 3.49Å; A78-G82 PolarHBondContact O-N 3.08Å
79	H	97.4	Very high	94.3	Very high	141 Å²	141	80 Å²	80	65%	0.653	43%	0.431	S	S	*	.	H	α-helix	trans	-64	-42.1	174.5	-70.8	152.4	0	0	112.6	E75 D76 K77 G82 F83	E75-H79 VanDerWaalsContact O-CG 3.26Å; E75-H79 PolarHBondContact O-N 3.17Å; E75-H79 PolarHBondContact O-ND1 2.81Å; D76-H79 PolarHBondContact O-N 2.86Å; K77-H79 VanDerWaalsContact C-N 3.35Å; K77-H79 PolarHBondContact O-N 2.87Å; H79-G82 PolarHBondContact O-N 2.83Å; H79-F83 PolarHBondContact O-N 3.25Å
80	A	95.8	Very high	93.6	Very high	33 Å²	33	78.8 Å²	78.8	27%	0.273	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-46.6	175.8	0	0	0	0	111.5	L37 D76 K77 G82 F83 I84	L37-A80 HydrophobicContact CD1-CB 3.68Å; L37-A80 HydrophobicContact CD2-CB 4.25Å; D76-A80 WeakPolarHBondContact O-CB 3.32Å; D76-A80 PolarHBondContact O-N 3.43Å; K77-A80 PolarHBondContact O-N 3Å; A80-G82 VanDerWaalsContact C-N 3.35Å; A80-G82 PolarHBondContact O-N 2.88Å; A80-F83 WeakPolarHBondContact O-CB 3.49Å; A80-F83 PolarHBondContact O-N 3.23Å; A80-F83 VanDerWaalsContact O-N 3.1Å; A80-I84 WeakPolarHBondContact O-CG1 3.35Å; A80-I84 PolarHBondContact O-N 3.26Å
81	N	95	Very high	92.5	Very high	42 Å²	42	78 Å²	78	23%	0.225	42%	0.419	C	S	.	.	H	α-helix	trans	-58	-46.4	175.2	-71	-29.7	0	0	111.1	L37 N38 K77 A78 F83 I84 E85	L37-N81 WeakPolarHBondContact CD1-OD1 3.33Å; N38-N81 PolarHBondContact ND2-OD1 3.42Å; N38-N81 PolarHBondContact OD1-ND2 3.38Å; N38-N81 VanDerWaalsContact OD1-ND2 3.11Å; K77-N81 WeakPolarHBondContact O-CB 3.42Å; K77-N81 VanDerWaalsContact O-CG 3.24Å; K77-N81 PolarHBondContact O-N 2.95Å; K77-N81 PolarHBondContact O-ND2 3.15Å; A78-N81 PolarHBondContact O-N 3.49Å; N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 2.88Å; N81-I84 WeakPolarHBondContact O-CB 3.02Å; N81-I84 PolarHBondContact O-N 3.1Å; N81-I84 VanDerWaalsContact O-N 3.12Å; N81-E85 WeakPolarHBondContact O-CG 3.45Å; N81-E85 PolarHBondContact O-N 2.95Å
82	G	95	Very high	91.5	Very high	22 Å²	22	81.4 Å²	81.4	23%	0.227	43%	0.433	C	S	.	.	H	α-helix	trans	-65.2	-26.4	177.1	0	0	0	0	114.1	A78 H79 A80 K86	A78-G82 PolarHBondContact O-N 3.08Å; H79-G82 PolarHBondContact O-N 2.83Å; A80-G82 VanDerWaalsContact C-N 3.35Å; A80-G82 PolarHBondContact O-N 2.88Å; G82-K86 VanDerWaalsContact O-CG 3.32Å; G82-K86 WeakPolarHBondContact O-CG 3.26Å; G82-K86 PolarHBondContact O-N 3.31Å
83	F	93.2	Very high	90.2	Very high	132 Å²	132	81 Å²	81	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-70.3	-44.2	170.6	173.5	-101.3	0	0	111.4	H79 A80 N81 K86 I87	H79-F83 PolarHBondContact O-N 3.25Å; A80-F83 WeakPolarHBondContact O-CB 3.49Å; A80-F83 PolarHBondContact O-N 3.23Å; A80-F83 VanDerWaalsContact O-N 3.1Å; N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 2.88Å; F83-K86 PolarHBondContact O-N 3.41Å; F83-I87 HydrophobicContact CD1-CD1 4.01Å; F83-I87 HydrophobicContact CE1-CD1 3.42Å; F83-I87 VanDerWaalsContact CE1-CD1 3.42Å; F83-I87 HydrophobicContact CE1-CG1 4.46Å; F83-I87 HydrophobicContact CE2-CD1 4.4Å; F83-I87 HydrophobicContact CZ-CD1 3.65Å; F83-I87 HydrophobicContact CZ-CG1 4.41Å; F83-I87 PolarHBondContact O-N 3.49Å
84	I	92.1	Very high	89.9	Confident	33 Å²	33	79.7 Å²	79.7	17%	0.169	43%	0.43	C	S	.	.	H	α-helix	trans	-59.9	-47.3	174.7	-65.1	-50.3	0	0	111.4	I25 V33 A80 N81 K86 I87 E88	I25-I84 HydrophobicContact CD1-CD1 3.92Å; I25-I84 HydrophobicContact CD1-CG2 3.74Å; V33-I84 HydrophobicContact CG1-CD1 4.28Å; V33-I84 HydrophobicContact CG1-CG1 3.96Å; A80-I84 WeakPolarHBondContact O-CG1 3.35Å; A80-I84 PolarHBondContact O-N 3.26Å; N81-I84 WeakPolarHBondContact O-CB 3.02Å; N81-I84 PolarHBondContact O-N 3.1Å; N81-I84 VanDerWaalsContact O-N 3.12Å; I84-K86 PolarHBondContact O-N 3.43Å; I84-I87 WeakPolarHBondContact O-CB 3.33Å; I84-I87 PolarHBondContact O-N 2.9Å; I84-E88 HydrophobicContact CG2-CG 4.45Å; I84-E88 PolarHBondContact O-N 2.95Å
85	E	91.6	Very high	89.6	Confident	128 Å²	128	76.6 Å²	76.6	60%	0.598	42%	0.419	S	S	*	.	H	α-helix	trans	-57.5	-36.7	177.8	-72.8	175.7	177.4	0	112.6	N81 E88 A89	N81-E85 WeakPolarHBondContact O-CG 3.45Å; N81-E85 PolarHBondContact O-N 2.95Å; E85-E88 PolarHBondContact O-N 3.45Å; E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.35Å; E85-A89 PolarHBondContact O-N 3.19Å
86	K	91.4	Very high	89.2	Confident	162 Å²	162	74.4 Å²	74.4	70%	0.704	41%	0.412	S	S	*	.	H	α-helix	trans	-68.6	-34.5	176.2	-75.3	172.3	-178.5	175.3	112.9	G82 F83 I84 S90	G82-K86 VanDerWaalsContact O-CG 3.32Å; G82-K86 WeakPolarHBondContact O-CG 3.26Å; G82-K86 PolarHBondContact O-N 3.31Å; F83-K86 PolarHBondContact O-N 3.41Å; I84-K86 PolarHBondContact O-N 3.43Å; K86-S90 WeakPolarHBondContact O-CB 3.35Å; K86-S90 PolarHBondContact O-N 3.13Å; K86-S90 VanDerWaalsContact O-N 3.17Å
87	I	87.9	Confident	88.7	Confident	46 Å²	46	75.5 Å²	75.5	24%	0.236	42%	0.418	C	S	.	.	H	α-helix	trans	-66.8	-47.1	173.9	-67.6	171.8	0	0	109.2	I25 F83 I84 A89 S90 C93	I25-I87 HydrophobicContact CD1-CB 4.41Å; I25-I87 HydrophobicContact CD1-CG2 4.1Å; I25-I87 HydrophobicContact CG1-CG2 4.02Å; F83-I87 HydrophobicContact CD1-CD1 4.01Å; F83-I87 HydrophobicContact CE1-CD1 3.42Å; F83-I87 VanDerWaalsContact CE1-CD1 3.42Å; F83-I87 HydrophobicContact CE1-CG1 4.46Å; F83-I87 HydrophobicContact CE2-CD1 4.4Å; F83-I87 HydrophobicContact CZ-CD1 3.65Å; F83-I87 HydrophobicContact CZ-CG1 4.41Å; F83-I87 PolarHBondContact O-N 3.49Å; I84-I87 WeakPolarHBondContact O-CB 3.33Å; I84-I87 PolarHBondContact O-N 2.9Å; I87-A89 VanDerWaalsContact C-N 3.33Å; I87-A89 PolarHBondContact O-N 3.44Å; I87-S90 WeakPolarHBondContact O-CB 3.14Å; I87-S90 PolarHBondContact O-N 3.44Å; I87-S90 VanDerWaalsContact O-N 3.08Å; I87-C93 HydrophobicContact CG2-CB 4.21Å; I87-C93 WeakPolarHBondContact O-CB 3.41Å
88	E	86	Confident	88.2	Confident	64 Å²	64	78.9 Å²	78.9	30%	0.299	44%	0.439	S	S	.	.	H	α-helix	trans	-67.3	-32.2	-179	-64.4	-168.3	136.5	0	113.7	I25 K30 I84 E85 S90	I25-E88 HydrophobicContact CD1-CG 4.32Å; K30-E88 WeakPolarHBondContact CD-OE1 3.45Å; K30-E88 WeakPolarHBondContact CE-OE1 3.37Å; K30-E88 WeakPolarHBondContact CG-OE1 3.42Å; K30-E88 IonicContact NZ-OE1 2.74Å; K30-E88 PolarHBondContact NZ-OE1 2.92Å; K30-E88 IonicContact NZ-OE2 2.69Å; K30-E88 PolarHBondContact NZ-OE2 3.44Å; I84-E88 HydrophobicContact CG2-CG 4.45Å; I84-E88 PolarHBondContact O-N 2.95Å; E85-E88 PolarHBondContact O-N 3.45Å; E88-S90 VanDerWaalsContact C-N 3.27Å
89	A	86.3	Confident	87.7	Confident	82 Å²	82	80.3 Å²	80.3	68%	0.678	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.4	174.4	0	0	0	0	112.9	E85 I87 P91	E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.35Å; E85-A89 PolarHBondContact O-N 3.19Å; I87-A89 VanDerWaalsContact C-N 3.33Å; I87-A89 PolarHBondContact O-N 3.44Å; A89-P91 WeakPolarHBondContact O-CD 3.48Å
90	S	83.2	Confident	87	Confident	32 Å²	32	75.9 Å²	75.9	22%	0.224	42%	0.42	C	S	.	.			trans	-71	125.4	-175.5	174.4	0	0	0	109.7	K86 I87 E88 L92 C93	K86-S90 WeakPolarHBondContact O-CB 3.35Å; K86-S90 PolarHBondContact O-N 3.13Å; K86-S90 VanDerWaalsContact O-N 3.17Å; I87-S90 WeakPolarHBondContact O-CB 3.14Å; I87-S90 PolarHBondContact O-N 3.44Å; I87-S90 VanDerWaalsContact O-N 3.08Å; E88-S90 VanDerWaalsContact C-N 3.27Å; S90-L92 PolarHBondContact O-N 3.42Å; S90-L92 VanDerWaalsContact O-N 3.1Å; S90-L92 PolarHBondContact OG-N 3.38Å; S90-C93 CarbonylContact O-C 3.53Å; S90-C93 VanDerWaalsContact O-C 3.25Å; S90-C93 PolarHBondContact O-N 3.04Å; S90-C93 VanDerWaalsContact O-OXT 3.09Å; S90-C93 PolarHBondContact OG-N 3.48Å
91	P	75	Confident	86.3	Confident	81 Å²	81	79.2 Å²	79.2	53%	0.526	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	3.2	176.3	30.9	-36.1	0	0	115.4	W20 A89	W20-P91 VanDerWaalsContact CH2-CA 3.43Å; W20-P91 HydrophobicContact CH2-CB 3.82Å; W20-P91 HydrophobicContact CZ2-CB 3.29Å; W20-P91 WeakPolarHBondContact CZ2-O 3.38Å; W20-P91 PolarHBondContact NE1-O 2.97Å; A89-P91 WeakPolarHBondContact O-CD 3.48Å
92	L	76.6	Confident	85.6	Confident	160 Å²	160	82.3 Å²	82.3	84%	0.838	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-14	177	-58.5	177.2	0	0	111.7	S90	S90-L92 PolarHBondContact O-N 3.42Å; S90-L92 VanDerWaalsContact O-N 3.1Å; S90-L92 PolarHBondContact OG-N 3.38Å
93	C	68.8	Low	84.7	Confident	46 Å²	46	87.8 Å²	87.8	31%	0.311	47%	0.469	S	S	.	.			trans	-99.7	0	155.5	-53.9	0	0	0	105.5	C23 G24 I87 S90	C23-C93 CarbonylContact C-O 3.25Å; C23-C93 WeakPolarHBondContact CA-O 3.4Å; C23-C93 WeakPolarHBondContact CB-O 3.39Å; C23-C93 VanDerWaalsContact CB-OXT 3.28Å; C23-C93 WeakPolarHBondContact CB-OXT 3.21Å; G24-C93 VanDerWaalsContact CA-O 3.25Å; G24-C93 WeakPolarHBondContact CA-O 3.46Å; G24-C93 PolarHBondContact N-O 3.09Å; I87-C93 HydrophobicContact CG2-CB 4.21Å; I87-C93 WeakPolarHBondContact O-CB 3.41Å; S90-C93 CarbonylContact O-C 3.53Å; S90-C93 VanDerWaalsContact O-C 3.25Å; S90-C93 PolarHBondContact O-N 3.04Å; S90-C93 VanDerWaalsContact O-OXT 3.09Å; S90-C93 PolarHBondContact OG-N 3.48Å

Retrieved 93 of 93 residues in 135.6 ms (Link to these results)

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