A0A087WPW0_MOUSE Loading...

ABPA10

AlphaFold DB , UniProt , Accession A0A087WPW0, Species MOUSE (Mus musculus, Mouse), Gene Scgb1b10, Length 93 aa.

						>A0A087WPW0_MOUSE|A0A087WPW0|Scgb1b10
MMLAGAVVIFGVALLLLSSWGDCGICPAMKEDVHLFLNGTSEEYAEYVKQYKDDPEILENTEKIKQCVDSTLMEEDKAHANGFIEKIEASPLC
					

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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	55.2	Low	73.6	Confident	228 Å²	228	110.5 Å²	110.5	100%	1.123	63%	0.633	S	S	*	*				0	-22.6	0	-48.2	-153.3	-62.4	0	113.5
2	M	66.2	Low	73.9	Confident	177 Å²	177	107.3 Å²	107.3	87%	0.872	62%	0.617	S	S	*	*	H	α-helix	trans	-71.6	-28.8	-178	-62.8	174.5	76.8	0	115	A4 G5 A6	M2-A4 PolarHBondContact O-N 3.31Å; M2-G5 PolarHBondContact O-N 3.01Å; M2-A6 PolarHBondContact O-N 3.24Å
3	L	71.2	Confident	73.9	Confident	149 Å²	149	102.3 Å²	102.3	78%	0.78	60%	0.596	S	S	*	*	H	α-helix	trans	-63.8	-37.3	-179.5	-96	149.1	0	0	113.3	A6 V7	L3-A6 PolarHBondContact O-N 3.17Å; L3-V7 WeakPolarHBondContact O-CG2 3.45Å; L3-V7 PolarHBondContact O-N 2.98Å
4	A	73	Confident	73.8	Confident	66 Å²	66	102.7 Å²	102.7	55%	0.545	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-39.6	179.8	0	0	0	0	112.1	M2 V7 V8	M2-A4 PolarHBondContact O-N 3.31Å; A4-V7 PolarHBondContact O-N 3.13Å; A4-V8 WeakPolarHBondContact O-CG2 3.41Å; A4-V8 PolarHBondContact O-N 3.01Å; A4-V8 VanDerWaalsContact O-N 3.1Å
5	G	71.8	Confident	73.4	Confident	39 Å²	39	104.1 Å²	104.1	40%	0.402	60%	0.598	S	S	.	*	H	α-helix	trans	-64.4	-41.1	178.3	0	0	0	0	112.9	M2 V8 I9	M2-G5 PolarHBondContact O-N 3.01Å; G5-V8 PolarHBondContact O-N 3.22Å; G5-I9 WeakPolarHBondContact O-CG1 3.41Å; G5-I9 PolarHBondContact O-N 3.26Å; G5-I9 VanDerWaalsContact O-N 3.09Å
6	A	77.2	Confident	73	Confident	52 Å²	52	105.2 Å²	105.2	43%	0.43	60%	0.6	S	S	.	*	H	α-helix	trans	-64.4	-40.4	177.4	0	0	0	0	112.4	M2 L3 I9 F10	M2-A6 PolarHBondContact O-N 3.24Å; L3-A6 PolarHBondContact O-N 3.17Å; A6-I9 PolarHBondContact O-N 3.11Å; A6-F10 PolarHBondContact O-N 2.85Å
7	V	78.7	Confident	72.4	Confident	102 Å²	102	106.8 Å²	106.8	62%	0.618	61%	0.606	S	S	*	*	H	α-helix	trans	-67	-38.9	178	176.4	0	0	0	111.4	L3 A4 F10 G11	L3-V7 WeakPolarHBondContact O-CG2 3.45Å; L3-V7 PolarHBondContact O-N 2.98Å; A4-V7 PolarHBondContact O-N 3.13Å; V7-F10 PolarHBondContact O-N 3.08Å; V7-G11 PolarHBondContact O-N 3.05Å
8	V	79.8	Confident	71.7	Confident	96 Å²	96	105 Å²	105	58%	0.582	60%	0.601	S	S	*	*	H	α-helix	trans	-65.4	-43.4	176.3	174.1	0	0	0	111.3	A4 G5 G11 V12	A4-V8 WeakPolarHBondContact O-CG2 3.41Å; A4-V8 PolarHBondContact O-N 3.01Å; A4-V8 VanDerWaalsContact O-N 3.1Å; G5-V8 PolarHBondContact O-N 3.22Å; V8-G11 PolarHBondContact O-N 3.21Å; V8-V12 HydrophobicContact CG1-CG2 4.44Å; V8-V12 WeakPolarHBondContact O-CG2 3.33Å; V8-V12 PolarHBondContact O-N 3.02Å
9	I	80	Confident	70.8	Confident	124 Å²	124	104.5 Å²	104.5	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-64.1	-43.9	177.4	-65.9	168.5	0	0	111	G5 A6 G11 V12 A13	G5-I9 WeakPolarHBondContact O-CG1 3.41Å; G5-I9 PolarHBondContact O-N 3.26Å; G5-I9 VanDerWaalsContact O-N 3.09Å; A6-I9 PolarHBondContact O-N 3.11Å; I9-G11 VanDerWaalsContact C-N 3.34Å; I9-G11 PolarHBondContact O-N 3.41Å; I9-V12 PolarHBondContact O-N 3.27Å; I9-A13 WeakPolarHBondContact O-CB 3.42Å; I9-A13 PolarHBondContact O-N 2.92Å
10	F	78	Confident	69.9	Low	152 Å²	152	109.3 Å²	109.3	67%	0.667	61%	0.612	S	S	*	*	H	α-helix	trans	-62.8	-40.8	175.4	-108.4	-90.8	0	0	112.2	A6 V7 A13 L14	A6-F10 PolarHBondContact O-N 2.85Å; V7-F10 PolarHBondContact O-N 3.08Å; F10-A13 PolarHBondContact O-N 3.4Å; F10-L14 WeakPolarHBondContact O-CB 3.27Å; F10-L14 VanDerWaalsContact O-CG 3.32Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 2.64Å
11	G	78.4	Confident	69.3	Low	30 Å²	30	106.6 Å²	106.6	31%	0.309	61%	0.609	S	S	.	*	H	α-helix	trans	-63.7	-43.8	176.7	0	0	0	0	112.7	V7 V8 I9 L14 L15	V7-G11 PolarHBondContact O-N 3.05Å; V8-G11 PolarHBondContact O-N 3.21Å; I9-G11 VanDerWaalsContact C-N 3.34Å; I9-G11 PolarHBondContact O-N 3.41Å; G11-L14 PolarHBondContact O-N 3.19Å; G11-L15 WeakPolarHBondContact O-CB 3.36Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.24Å
12	V	76.9	Confident	69.8	Low	73 Å²	73	103.8 Å²	103.8	44%	0.442	60%	0.599	S	S	.	*	H	α-helix	trans	-66.8	-40.9	175.9	174.2	0	0	0	111.1	V8 I9 L14 L15 L16	V8-V12 HydrophobicContact CG1-CG2 4.44Å; V8-V12 WeakPolarHBondContact O-CG2 3.33Å; V8-V12 PolarHBondContact O-N 3.02Å; I9-V12 PolarHBondContact O-N 3.27Å; V12-L14 PolarHBondContact O-N 3.46Å; V12-L15 PolarHBondContact O-N 3.15Å; V12-L16 HydrophobicContact CG1-CD1 3.84Å; V12-L16 HydrophobicContact CG1-CG 4.22Å; V12-L16 WeakPolarHBondContact O-CB 3.43Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.08Å
13	A	75	Confident	70.2	Confident	42 Å²	42	99 Å²	99	35%	0.347	58%	0.581	S	S	.	*	H	α-helix	trans	-61.1	-44	175.2	0	0	0	0	111.5	I9 F10 L16 L17	I9-A13 WeakPolarHBondContact O-CB 3.42Å; I9-A13 PolarHBondContact O-N 2.92Å; F10-A13 PolarHBondContact O-N 3.4Å; A13-L16 PolarHBondContact O-N 3.27Å; A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 WeakPolarHBondContact O-CD1 3.4Å; A13-L17 WeakPolarHBondContact O-CG 2.89Å; A13-L17 PolarHBondContact O-N 3.21Å
14	L	71.5	Confident	70.8	Confident	108 Å²	108	93.5 Å²	93.5	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-64.1	-39.8	175.2	-73.1	166.9	0	0	112.2	F10 G11 V12 L17 S18	F10-L14 WeakPolarHBondContact O-CB 3.27Å; F10-L14 VanDerWaalsContact O-CG 3.32Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 2.64Å; G11-L14 PolarHBondContact O-N 3.19Å; V12-L14 PolarHBondContact O-N 3.46Å; L14-L17 PolarHBondContact O-N 3Å; L14-S18 VanDerWaalsContact O-CB 3.24Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.95Å; L14-S18 PolarHBondContact O-OG 3.48Å
15	L	67.7	Low	71.5	Confident	123 Å²	123	92.3 Å²	92.3	64%	0.644	55%	0.545	S	S	*	.	H	α-helix	trans	-65.8	-41.9	176.5	-73.8	171.1	0	0	112.1	G11 V12 S18 S19	G11-L15 WeakPolarHBondContact O-CB 3.36Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.24Å; V12-L15 PolarHBondContact O-N 3.15Å; L15-S18 VanDerWaalsContact CA-OG 3.29Å; L15-S18 WeakPolarHBondContact CA-OG 3.43Å; L15-S18 CarbonylContact O-C 3.26Å; L15-S18 PolarHBondContact O-N 3.43Å; L15-S18 PolarHBondContact O-OG 3.34Å; L15-S19 PolarHBondContact O-N 2.99Å; L15-S19 VanDerWaalsContact O-N 3.14Å
16	L	67	Low	72.3	Confident	122 Å²	122	93.9 Å²	93.9	64%	0.639	55%	0.549	S	S	*	.	H	α-helix	trans	-66.5	-36.2	174.4	-71.1	171.2	0	0	112.2	V12 A13 S18 S19	V12-L16 HydrophobicContact CG1-CD1 3.84Å; V12-L16 HydrophobicContact CG1-CG 4.22Å; V12-L16 WeakPolarHBondContact O-CB 3.43Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.08Å; A13-L16 PolarHBondContact O-N 3.27Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S19 PolarHBondContact O-N 2.95Å; L16-S19 PolarHBondContact O-OG 3.37Å
17	L	64	Low	73	Confident	133 Å²	133	96.7 Å²	96.7	70%	0.696	56%	0.563	S	S	*	*	H	α-helix	trans	-71.5	-27.6	172.9	-68.5	168	0	0	111.8	A13 L14	A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 WeakPolarHBondContact O-CD1 3.4Å; A13-L17 WeakPolarHBondContact O-CG 2.89Å; A13-L17 PolarHBondContact O-N 3.21Å; L14-L17 PolarHBondContact O-N 3Å
18	S	59.3	Low	73.8	Confident	74 Å²	74	93.6 Å²	93.6	52%	0.517	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.4	177.3	74.7	0	0	0	114.4	L14 L15 L16 W20	L14-S18 VanDerWaalsContact O-CB 3.24Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.95Å; L14-S18 PolarHBondContact O-OG 3.48Å; L15-S18 VanDerWaalsContact CA-OG 3.29Å; L15-S18 WeakPolarHBondContact CA-OG 3.43Å; L15-S18 CarbonylContact O-C 3.26Å; L15-S18 PolarHBondContact O-N 3.43Å; L15-S18 PolarHBondContact O-OG 3.34Å; L16-S18 VanDerWaalsContact C-N 3.3Å; S18-W20 PolarHBondContact O-N 3.31Å
19	S	54.8	Low	74.4	Confident	95 Å²	95	93.3 Å²	93.3	66%	0.664	54%	0.541	S	S	*	.			trans	-71.4	52.4	155.6	74.3	0	0	0	109.2	L15 L16 G21	L15-S19 PolarHBondContact O-N 2.99Å; L15-S19 VanDerWaalsContact O-N 3.14Å; L16-S19 PolarHBondContact O-N 2.95Å; L16-S19 PolarHBondContact O-OG 3.37Å; S19-G21 PolarHBondContact O-N 3.22Å
20	W	52.9	Low	75.1	Confident	200 Å²	200	91.6 Å²	91.6	76%	0.758	53%	0.529	S	S	*	.			trans	-86.3	39.8	173.7	-156.7	53.8	0	0	107.7	S18 C93	S18-W20 PolarHBondContact O-N 3.31Å; W20-C93 PolarHBondContact NE1-O 3.41Å
21	G	57.1	Low	75.9	Confident	53 Å²	53	88.4 Å²	88.4	55%	0.546	52%	0.517	S	S	.	.	S	Bend	trans	-101.7	117.8	-177.6	0	0	0	0	107.5	S19 C23	S19-G21 PolarHBondContact O-N 3.22Å; G21-C23 PolarHBondContact O-N 3.25Å
22	D	65.2	Low	76.8	Confident	170 Å²	170	88.9 Å²	88.9	91%	0.909	51%	0.512	S	S	*	.	S	Bend	trans	60.5	45.6	168.9	-49.6	-31.2	0	0	115.5
23	C	75.3	Confident	77.7	Confident	75 Å²	75	87.2 Å²	87.2	51%	0.507	50%	0.502	S	S	.	.			trans	-82.8	140.8	166.1	-157.1	0	0	0	111.1	G21 C93	G21-C23 PolarHBondContact O-N 3.25Å; C23-C93 HydrophobicContact CB-CB 3.32Å; C23-C93 WeakPolarHBondContact CB-SG 3.46Å; C23-C93 WeakPolarHBondContact SG-CA 3.24Å; C23-C93 WeakPolarHBondContact SG-CB 3.22Å; C23-C93 CovalentContact SG-SG 2.02Å; C23-C93 PolarHBondContact SG-SG 3.45Å
24	G	83.5	Confident	78.8	Confident	35 Å²	35	89.6 Å²	89.6	36%	0.361	51%	0.506	S	S	.	.	S	Bend	trans	113.3	-158	-177.1	0	0	0	0	112.3	C93	G24-C93 PolarHBondContact N-SG 2.96Å
25	I	87.2	Confident	80.1	Confident	41 Å²	41	85.4 Å²	85.4	21%	0.21	48%	0.484	C	S	.	.			trans	-96.7	134.4	176.3	-56.2	-173.3	0	0	108.1	M29 K30 I84 I87	I25-M29 HydrophobicContact CG2-CB 3.48Å; I25-M29 VanDerWaalsContact CG2-CB 3.48Å; I25-K30 HydrophobicContact CG2-CB 4.19Å; I25-I84 HydrophobicContact CD1-CB 4.43Å; I25-I84 HydrophobicContact CD1-CD1 3.39Å; I25-I84 HydrophobicContact CD1-CG1 4.4Å; I25-I84 HydrophobicContact CD1-CG2 3.69Å; I25-I87 HydrophobicContact CG1-CG2 4.12Å
26	C	89.7	Confident	81.5	Confident	71 Å²	71	82 Å²	82	48%	0.48	46%	0.464	S	S	.	.			trans	-62.7	144.7	175.6	69.4	0	0	0	110.1	A28 M29 K30	C26-A28 PolarHBondContact O-N 2.87Å; C26-M29 PolarHBondContact O-N 2.91Å; C26-M29 VanDerWaalsContact SG-CB 3.59Å; C26-M29 WeakPolarHBondContact SG-CG 3.34Å; C26-K30 PolarHBondContact O-N 3.39Å
27	P	91.5	Very high	83	Confident	112 Å²	112	76.7 Å²	76.7	73%	0.727	44%	0.436	S	S	*	.	H	α-helix	trans	-54.1	-35.8	-171.8	-29.8	35.4	0	0	114.4	K30 E31	P27-K30 PolarHBondContact O-N 3.46Å; P27-E31 PolarHBondContact O-N 3.24Å; P27-E31 VanDerWaalsContact O-N 3.12Å
28	A	94.7	Very high	84.5	Confident	37 Å²	37	73.5 Å²	73.5	31%	0.306	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-51.5	174.8	0	0	0	0	112.2	C26 K30 E31 D32 Y47 Y51	C26-A28 PolarHBondContact O-N 2.87Å; A28-K30 VanDerWaalsContact C-N 3.26Å; A28-K30 PolarHBondContact O-N 3.46Å; A28-E31 PolarHBondContact O-N 3.04Å; A28-D32 WeakPolarHBondContact O-CB 3.31Å; A28-D32 PolarHBondContact O-N 2.99Å; A28-Y47 WeakPolarHBondContact CA-OH 3.28Å; A28-Y47 PolarHBondContact O-OH 3.43Å; A28-Y51 WeakPolarHBondContact CB-OH 3.47Å
29	M	93.2	Very high	86.3	Confident	89 Å²	89	70.5 Å²	70.5	44%	0.438	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-31.6	178.5	-75.1	-59.9	-48.4	0	112.4	I25 C26 V33	I25-M29 HydrophobicContact CG2-CB 3.48Å; I25-M29 VanDerWaalsContact CG2-CB 3.48Å; C26-M29 PolarHBondContact O-N 2.91Å; C26-M29 VanDerWaalsContact SG-CB 3.59Å; C26-M29 WeakPolarHBondContact SG-CG 3.34Å; M29-V33 WeakPolarHBondContact O-CG2 3.38Å; M29-V33 PolarHBondContact O-N 3.37Å
30	K	93.8	Very high	88.4	Confident	88 Å²	88	69.5 Å²	69.5	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-47.6	175.2	-173.8	-175.4	-171.7	156.5	111	I25 C26 P27 A28 H34 E88	I25-K30 HydrophobicContact CG2-CB 4.19Å; C26-K30 PolarHBondContact O-N 3.39Å; P27-K30 PolarHBondContact O-N 3.46Å; A28-K30 VanDerWaalsContact C-N 3.26Å; A28-K30 PolarHBondContact O-N 3.46Å; K30-H34 WeakPolarHBondContact O-CB 3.2Å; K30-H34 PolarHBondContact O-N 2.86Å; K30-E88 WeakPolarHBondContact CD-OE1 3.48Å; K30-E88 WeakPolarHBondContact CE-OE1 3.47Å; K30-E88 WeakPolarHBondContact CE-OE2 3.49Å; K30-E88 IonicContact NZ-OE1 2.68Å; K30-E88 PolarHBondContact NZ-OE1 2.87Å; K30-E88 IonicContact NZ-OE2 3.99Å; K30-E88 PolarHBondContact NZ-OE2 3.47Å
31	E	96.2	Very high	90.5	Very high	86 Å²	86	62.2 Å²	62.2	40%	0.402	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-41.1	179.1	-168.5	64.2	-164.7	0	111.8	P27 A28 H34 L35 Y47	P27-E31 PolarHBondContact O-N 3.24Å; P27-E31 VanDerWaalsContact O-N 3.12Å; A28-E31 PolarHBondContact O-N 3.04Å; E31-H34 PolarHBondContact O-N 3.37Å; E31-L35 HydrophobicContact CG-CD1 4.06Å; E31-L35 HydrophobicContact CG-CG 4.49Å; E31-L35 WeakPolarHBondContact O-CG 3.09Å; E31-L35 PolarHBondContact O-N 2.84Å; E31-Y47 HydrophobicContact CB-CE2 3.81Å; E31-Y47 HydrophobicContact CG-CD2 3.91Å; E31-Y47 HydrophobicContact CG-CE2 3.38Å
32	D	97	Very high	92.4	Very high	40 Å²	40	67.5 Å²	67.5	21%	0.214	38%	0.38	C	S	.	.	H	α-helix	trans	-53.5	-55.9	173.5	-177.5	10.8	0	0	110.8	A28 H34 L35 F36 Y44 Y47	A28-D32 WeakPolarHBondContact O-CB 3.31Å; A28-D32 PolarHBondContact O-N 2.99Å; D32-H34 VanDerWaalsContact C-N 3.32Å; D32-H34 PolarHBondContact O-N 2.77Å; D32-L35 PolarHBondContact O-N 3.02Å; D32-F36 WeakPolarHBondContact O-CB 3.46Å; D32-F36 PolarHBondContact O-N 3.49Å; D32-Y44 WeakPolarHBondContact OD1-CE2 3.16Å; D32-Y44 PolarHBondContact OD1-OH 3.03Å; D32-Y47 HydrophobicContact CB-CE1 3.8Å
33	V	96.1	Very high	94	Very high	37 Å²	37	64.4 Å²	64.4	22%	0.224	36%	0.36	C	S	.	.	H	α-helix	trans	-63.1	-38.5	179.1	174.1	0	0	0	111.7	M29 F36 L37 I84	M29-V33 WeakPolarHBondContact O-CG2 3.38Å; M29-V33 PolarHBondContact O-N 3.37Å; V33-F36 PolarHBondContact O-N 2.81Å; V33-L37 HydrophobicContact CG1-CD1 3.77Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; V33-L37 WeakPolarHBondContact O-CB 3.4Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 3.08Å; V33-I84 HydrophobicContact CG1-CD1 4.25Å; V33-I84 HydrophobicContact CG1-CG1 4.24Å
34	H	96.8	Very high	95.1	Very high	93 Å²	93	61.9 Å²	61.9	43%	0.431	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-49.9	178.3	178.6	65.8	0	0	111.8	K30 E31 D32 N38	K30-H34 WeakPolarHBondContact O-CB 3.2Å; K30-H34 PolarHBondContact O-N 2.86Å; E31-H34 PolarHBondContact O-N 3.37Å; D32-H34 VanDerWaalsContact C-N 3.32Å; D32-H34 PolarHBondContact O-N 2.77Å; H34-N38 PolarHBondContact ND1-ND2 2.75Å; H34-N38 WeakPolarHBondContact O-CB 3.24Å; H34-N38 PolarHBondContact O-N 2.79Å; H34-N38 PolarHBondContact O-ND2 2.96Å
35	L	98.1	Very high	95.7	Very high	20 Å²	20	60.7 Å²	60.7	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-70.2	-35.5	178.5	-68.9	172.5	0	0	111.8	E31 D32 L37 G39 E43 Y44 Y47 K65	E31-L35 HydrophobicContact CG-CD1 4.06Å; E31-L35 HydrophobicContact CG-CG 4.49Å; E31-L35 WeakPolarHBondContact O-CG 3.09Å; E31-L35 PolarHBondContact O-N 2.84Å; D32-L35 PolarHBondContact O-N 3.02Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.89Å; L35-G39 VanDerWaalsContact O-CA 3.27Å; L35-G39 WeakPolarHBondContact O-CA 3.4Å; L35-G39 PolarHBondContact O-N 3.18Å; L35-E43 HydrophobicContact CD2-CB 4.25Å; L35-Y44 HydrophobicContact CB-CD2 3.73Å; L35-Y47 VanDerWaalsContact CD1-CB 3.43Å; L35-Y47 HydrophobicContact CD1-CD1 4.22Å; L35-Y47 HydrophobicContact CD1-CD2 3.59Å; L35-Y47 HydrophobicContact CD1-CE2 4.44Å; L35-Y47 HydrophobicContact CD1-CG 3.46Å; L35-Y47 VanDerWaalsContact CD1-CG 3.46Å; L35-K65 WeakPolarHBondContact O-CE 3.44Å
36	F	98	Very high	96.3	Very high	52 Å²	52	64.3 Å²	64.3	23%	0.228	34%	0.343	C	S	.	.	H	α-helix	trans	-60.5	-42.3	176.4	-173.9	-119.6	0	0	112.2	D32 V33 Y44 I64 K65 V68	D32-F36 WeakPolarHBondContact O-CB 3.46Å; D32-F36 PolarHBondContact O-N 3.49Å; V33-F36 PolarHBondContact O-N 2.81Å; F36-Y44 HydrophobicContact CB-CD2 4.26Å; F36-Y44 HydrophobicContact CB-CE2 3.74Å; F36-Y44 HydrophobicContact CD2-CD1 4.15Å; F36-Y44 AromaticContact CD2-CE1 3.45Å; F36-Y44 HydrophobicContact CD2-CE1 3.45Å; F36-Y44 VanDerWaalsContact CD2-CE1 3.45Å; F36-Y44 HydrophobicContact CD2-CE2 4.13Å; F36-Y44 AromaticContact CD2-CZ 3.46Å; F36-Y44 VanDerWaalsContact CD2-CZ 3.46Å; F36-Y44 HydrophobicContact CE2-CE1 4.06Å; F36-Y44 HydrophobicContact CG-CE1 4.47Å; F36-Y44 HydrophobicContact CG-CE2 4.42Å; F36-I64 HydrophobicContact CE2-CG2 3.67Å; F36-I64 HydrophobicContact CZ-CG2 3.74Å; F36-K65 HydrophobicContact CD2-CD 4.26Å; F36-K65 WeakPolarHBondContact O-CD 3.31Å; F36-K65 WeakPolarHBondContact O-CE 3Å; F36-V68 HydrophobicContact CE1-CG2 3.74Å; F36-V68 HydrophobicContact CE2-CG2 3.97Å; F36-V68 HydrophobicContact CZ-CB 4.48Å; F36-V68 HydrophobicContact CZ-CG2 3.38Å
37	L	97.7	Very high	96.7	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-83.3	-43.6	-179.7	-65.5	174.7	0	0	112.6	V33 L35 L72 K77 A80	V33-L37 HydrophobicContact CG1-CD1 3.77Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; V33-L37 WeakPolarHBondContact O-CB 3.4Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 3.08Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.89Å; L37-L72 HydrophobicContact CD2-CD1 4.11Å; L37-K77 VanDerWaalsContact O-CD 3.23Å; L37-K77 WeakPolarHBondContact O-CD 3.4Å; L37-K77 WeakPolarHBondContact O-CE 3.37Å; L37-K77 PolarHBondContact O-NZ 3.33Å; L37-A80 HydrophobicContact CD1-CB 3.69Å; L37-A80 HydrophobicContact CD2-CB 4.45Å
38	N	97.1	Very high	97	Very high	65 Å²	65	58.1 Å²	58.1	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-117.6	-18.6	-163.6	-45.2	-70	0	0	114.1	H34 N81	H34-N38 PolarHBondContact ND1-ND2 2.75Å; H34-N38 WeakPolarHBondContact O-CB 3.24Å; H34-N38 PolarHBondContact O-N 2.79Å; H34-N38 PolarHBondContact O-ND2 2.96Å; N38-N81 PolarHBondContact ND2-ND2 3.39Å; N38-N81 PolarHBondContact ND2-OD1 3.27Å; N38-N81 PolarHBondContact OD1-ND2 2.9Å; N38-N81 VanDerWaalsContact OD1-ND2 3.07Å
39	G	97.4	Very high	97.1	Very high	11 Å²	11	59.6 Å²	59.6	11%	0.113	30%	0.298	C	S	.	.	S	Bend	trans	-78.1	167.5	179.4	0	0	0	0	113	L35 K65	L35-G39 VanDerWaalsContact O-CA 3.27Å; L35-G39 WeakPolarHBondContact O-CA 3.4Å; L35-G39 PolarHBondContact O-N 3.18Å; G39-K65 VanDerWaalsContact O-CE 3.24Å; G39-K65 WeakPolarHBondContact O-CE 3.5Å; G39-K65 PolarHBondContact O-NZ 3.29Å
40	T	97.3	Very high	97.3	Very high	75 Å²	75	61.4 Å²	61.4	46%	0.46	31%	0.305	S	S	.	.			trans	-74.7	162.7	168.2	62.3	0	0	0	111.3	E42 E43 Y44	T40-E42 PolarHBondContact O-N 3.38Å; T40-E43 WeakPolarHBondContact CB-OE2 3.16Å; T40-E43 WeakPolarHBondContact CG2-OE2 3.27Å; T40-E43 PolarHBondContact N-OE2 3.34Å; T40-E43 PolarHBondContact O-N 3.17Å; T40-E43 WeakPolarHBondContact OG1-CB 3.29Å; T40-E43 VanDerWaalsContact OG1-CD 3.26Å; T40-E43 WeakPolarHBondContact OG1-CG 3.33Å; T40-E43 PolarHBondContact OG1-N 3.02Å; T40-E43 PolarHBondContact OG1-OE2 3.05Å; T40-Y44 WeakPolarHBondContact O-CB 3.32Å; T40-Y44 PolarHBondContact O-N 3.12Å
41	S	97.1	Very high	97.4	Very high	46 Å²	46	63.9 Å²	63.9	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-35.9	174.7	-56.3	0	0	0	113	A45	S41-A45 VanDerWaalsContact O-CB 3.24Å; S41-A45 WeakPolarHBondContact O-CB 3.24Å; S41-A45 PolarHBondContact O-N 2.93Å
42	E	97.2	Very high	97.5	Very high	164 Å²	164	65.3 Å²	65.3	77%	0.766	32%	0.318	S	S	*	.	H	α-helix	trans	-68.4	-49.2	178.2	-175.6	175.8	-176.5	0	111.5	T40 Y44 A45 E46	T40-E42 PolarHBondContact O-N 3.38Å; E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 3.39Å; E42-A45 PolarHBondContact O-N 2.92Å; E42-E46 WeakPolarHBondContact O-CB 3.35Å; E42-E46 PolarHBondContact O-N 3.25Å
43	E	98.2	Very high	97.5	Very high	105 Å²	105	68.7 Å²	68.7	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-41.6	177.1	-70.9	163.6	143.7	0	111.6	L35 T40 Y47	L35-E43 HydrophobicContact CD2-CB 4.25Å; T40-E43 WeakPolarHBondContact CB-OE2 3.16Å; T40-E43 WeakPolarHBondContact CG2-OE2 3.27Å; T40-E43 PolarHBondContact N-OE2 3.34Å; T40-E43 PolarHBondContact O-N 3.17Å; T40-E43 WeakPolarHBondContact OG1-CB 3.29Å; T40-E43 VanDerWaalsContact OG1-CD 3.26Å; T40-E43 WeakPolarHBondContact OG1-CG 3.33Å; T40-E43 PolarHBondContact OG1-N 3.02Å; T40-E43 PolarHBondContact OG1-OE2 3.05Å; E43-Y47 WeakPolarHBondContact O-CB 3.46Å; E43-Y47 PolarHBondContact O-N 3.43Å; E43-Y47 VanDerWaalsContact O-N 3.08Å
44	Y	98.4	Very high	97.6	Very high	22 Å²	22	69.3 Å²	69.3	9%	0.086	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-45.1	178.9	-172.2	-122.1	0	0	112.5	D32 L35 F36 T40 E42 E46 Y47 V48 T61 K65	D32-Y44 WeakPolarHBondContact OD1-CE2 3.16Å; D32-Y44 PolarHBondContact OD1-OH 3.03Å; L35-Y44 HydrophobicContact CB-CD2 3.73Å; F36-Y44 HydrophobicContact CB-CD2 4.26Å; F36-Y44 HydrophobicContact CB-CE2 3.74Å; F36-Y44 HydrophobicContact CD2-CD1 4.15Å; F36-Y44 AromaticContact CD2-CE1 3.45Å; F36-Y44 HydrophobicContact CD2-CE1 3.45Å; F36-Y44 VanDerWaalsContact CD2-CE1 3.45Å; F36-Y44 HydrophobicContact CD2-CE2 4.13Å; F36-Y44 AromaticContact CD2-CZ 3.46Å; F36-Y44 VanDerWaalsContact CD2-CZ 3.46Å; F36-Y44 HydrophobicContact CE2-CE1 4.06Å; F36-Y44 HydrophobicContact CG-CE1 4.47Å; F36-Y44 HydrophobicContact CG-CE2 4.42Å; T40-Y44 WeakPolarHBondContact O-CB 3.32Å; T40-Y44 PolarHBondContact O-N 3.12Å; E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 3.39Å; Y44-E46 PolarHBondContact O-N 2.95Å; Y44-Y47 PolarHBondContact O-N 3.03Å; Y44-V48 HydrophobicContact CE1-CG2 4.24Å; Y44-V48 HydrophobicContact CE2-CG2 4.21Å; Y44-V48 WeakPolarHBondContact O-CG2 3.37Å; Y44-V48 PolarHBondContact O-N 2.89Å; Y44-T61 HydrophobicContact CD1-CG2 3.55Å; Y44-T61 HydrophobicContact CE1-CG2 3.57Å; Y44-K65 HydrophobicContact CD1-CB 4.05Å; Y44-K65 HydrophobicContact CD1-CD 3.96Å; Y44-K65 HydrophobicContact CD1-CG 4.13Å; Y44-K65 HydrophobicContact CG-CD 4.26Å
45	A	97.7	Very high	97.7	Very high	11 Å²	11	69.9 Å²	69.9	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-42.2	177.8	0	0	0	0	111.8	S41 E42 Y47 V48 K49 E62	S41-A45 VanDerWaalsContact O-CB 3.24Å; S41-A45 WeakPolarHBondContact O-CB 3.24Å; S41-A45 PolarHBondContact O-N 2.93Å; E42-A45 PolarHBondContact O-N 2.92Å; A45-Y47 VanDerWaalsContact C-N 3.3Å; A45-Y47 PolarHBondContact O-N 3.23Å; A45-V48 PolarHBondContact O-N 3.36Å; A45-K49 WeakPolarHBondContact O-CB 3.23Å; A45-K49 PolarHBondContact O-N 3.37Å; A45-E62 HydrophobicContact CB-CG 4.42Å
46	E	98.2	Very high	97.7	Very high	117 Å²	117	76.3 Å²	76.3	55%	0.547	38%	0.38	S	S	.	.	H	α-helix	trans	-65.1	-35.9	177.6	-166.2	65.4	-174.9	0	111.5	E42 Y44 K49 Q50	E42-E46 WeakPolarHBondContact O-CB 3.35Å; E42-E46 PolarHBondContact O-N 3.25Å; Y44-E46 PolarHBondContact O-N 2.95Å; E46-K49 WeakPolarHBondContact O-CB 3.16Å; E46-K49 PolarHBondContact O-N 2.72Å; E46-K49 WeakPolarHBondContact OE2-CD 3.33Å; E46-K49 IonicContact OE2-NZ 3.76Å; E46-Q50 PolarHBondContact O-N 2.67Å
47	Y	98.4	Very high	97.7	Very high	29 Å²	29	77.1 Å²	77.1	11%	0.114	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-36.8	172.7	-178	-90.6	0	0	113.7	A28 E31 D32 L35 E43 Y44 A45 Q50 Y51	A28-Y47 WeakPolarHBondContact CA-OH 3.28Å; A28-Y47 PolarHBondContact O-OH 3.43Å; E31-Y47 HydrophobicContact CB-CE2 3.81Å; E31-Y47 HydrophobicContact CG-CD2 3.91Å; E31-Y47 HydrophobicContact CG-CE2 3.38Å; D32-Y47 HydrophobicContact CB-CE1 3.8Å; L35-Y47 VanDerWaalsContact CD1-CB 3.43Å; L35-Y47 HydrophobicContact CD1-CD1 4.22Å; L35-Y47 HydrophobicContact CD1-CD2 3.59Å; L35-Y47 HydrophobicContact CD1-CE2 4.44Å; L35-Y47 HydrophobicContact CD1-CG 3.46Å; L35-Y47 VanDerWaalsContact CD1-CG 3.46Å; E43-Y47 WeakPolarHBondContact O-CB 3.46Å; E43-Y47 PolarHBondContact O-N 3.43Å; E43-Y47 VanDerWaalsContact O-N 3.08Å; Y44-Y47 PolarHBondContact O-N 3.03Å; A45-Y47 VanDerWaalsContact C-N 3.3Å; A45-Y47 PolarHBondContact O-N 3.23Å; Y47-Q50 WeakPolarHBondContact O-CG 3.34Å; Y47-Q50 PolarHBondContact O-NE2 2.81Å; Y47-Q50 VanDerWaalsContact O-NE2 3.15Å; Y47-Y51 HydrophobicContact CD1-CE2 4.26Å; Y47-Y51 HydrophobicContact CE1-CD2 4.41Å; Y47-Y51 AromaticContact CE1-CE2 3.57Å; Y47-Y51 HydrophobicContact CE1-CE2 3.57Å; Y47-Y51 HydrophobicContact CE2-CE2 4.4Å; Y47-Y51 AromaticContact CZ-CE2 3.65Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.5Å; Y47-Y51 PolarHBondContact OH-OH 2.88Å
48	V	97.9	Very high	97.7	Very high	23 Å²	23	78 Å²	78	14%	0.139	39%	0.39	C	S	.	.	H	α-helix	trans	-70.4	-38.5	174.9	172.1	0	0	0	110.7	Y44 A45 Q50 Y51 K52 I57 L58 T61	Y44-V48 HydrophobicContact CE1-CG2 4.24Å; Y44-V48 HydrophobicContact CE2-CG2 4.21Å; Y44-V48 WeakPolarHBondContact O-CG2 3.37Å; Y44-V48 PolarHBondContact O-N 2.89Å; A45-V48 PolarHBondContact O-N 3.36Å; V48-Q50 VanDerWaalsContact C-N 3.31Å; V48-Q50 PolarHBondContact O-N 2.7Å; V48-Y51 PolarHBondContact O-N 3.37Å; V48-K52 PolarHBondContact O-N 3.01Å; V48-I57 HydrophobicContact CG1-CG2 4.12Å; V48-L58 HydrophobicContact CG1-CD2 4.34Å; V48-T61 HydrophobicContact CB-CG2 4.23Å; V48-T61 HydrophobicContact CG2-CG2 3.85Å
49	K	97.9	Very high	97.7	Very high	69 Å²	69	79.9 Å²	79.9	30%	0.3	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-36.6	-177.2	-171.1	-178.9	179.1	-173.7	114	A45 E46 Y51 K52 D53 L58	A45-K49 WeakPolarHBondContact O-CB 3.23Å; A45-K49 PolarHBondContact O-N 3.37Å; E46-K49 WeakPolarHBondContact O-CB 3.16Å; E46-K49 PolarHBondContact O-N 2.72Å; E46-K49 WeakPolarHBondContact OE2-CD 3.33Å; E46-K49 IonicContact OE2-NZ 3.76Å; K49-Y51 PolarHBondContact O-N 3.43Å; K49-K52 CarbonylContact O-C 3.48Å; K49-K52 VanDerWaalsContact O-C 3.26Å; K49-K52 PolarHBondContact O-N 2.94Å; K49-D53 VanDerWaalsContact CE-CG 3.49Å; K49-D53 VanDerWaalsContact CE-OD1 3.27Å; K49-D53 WeakPolarHBondContact CE-OD1 3.49Å; K49-D53 WeakPolarHBondContact CE-OD2 3.15Å; K49-D53 HydrophobicContact CG-CB 3.92Å; K49-D53 PolarHBondContact O-N 3.36Å; K49-D53 VanDerWaalsContact O-N 3.17Å; K49-L58 HydrophobicContact CB-CD1 4.38Å; K49-L58 HydrophobicContact CB-CD2 3.87Å; K49-L58 HydrophobicContact CD-CD1 4.21Å; K49-L58 HydrophobicContact CG-CD1 4.06Å; K49-L58 HydrophobicContact CG-CD2 4.41Å
50	Q	97.3	Very high	97.7	Very high	126 Å²	126	83.5 Å²	83.5	59%	0.589	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25	176.6	52	163.5	6.5	0	113.7	E46 Y47 V48	E46-Q50 PolarHBondContact O-N 2.67Å; Y47-Q50 WeakPolarHBondContact O-CG 3.34Å; Y47-Q50 PolarHBondContact O-NE2 2.81Å; Y47-Q50 VanDerWaalsContact O-NE2 3.15Å; V48-Q50 VanDerWaalsContact C-N 3.31Å; V48-Q50 PolarHBondContact O-N 2.7Å
51	Y	96.3	Very high	97.7	Very high	141 Å²	141	80.6 Å²	80.6	55%	0.553	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-38.7	174.1	-66	-81.2	0	0	111.6	A28 Y47 V48 K49	A28-Y51 WeakPolarHBondContact CB-OH 3.47Å; Y47-Y51 HydrophobicContact CD1-CE2 4.26Å; Y47-Y51 HydrophobicContact CE1-CD2 4.41Å; Y47-Y51 AromaticContact CE1-CE2 3.57Å; Y47-Y51 HydrophobicContact CE1-CE2 3.57Å; Y47-Y51 HydrophobicContact CE2-CE2 4.4Å; Y47-Y51 AromaticContact CZ-CE2 3.65Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.5Å; Y47-Y51 PolarHBondContact OH-OH 2.88Å; V48-Y51 PolarHBondContact O-N 3.37Å; K49-Y51 PolarHBondContact O-N 3.43Å
52	K	97	Very high	97.7	Very high	115 Å²	115	83.3 Å²	83.3	50%	0.5	40%	0.403	S	S	.	.			trans	-155.3	102.7	-179.2	-172.2	62.8	175.4	177.9	111.2	V48 K49 D54 I57	V48-K52 PolarHBondContact O-N 3.01Å; K49-K52 CarbonylContact O-C 3.48Å; K49-K52 VanDerWaalsContact O-C 3.26Å; K49-K52 PolarHBondContact O-N 2.94Å; K52-D54 VanDerWaalsContact C-N 3.32Å; K52-D54 HydrophobicContact CD-CB 4.47Å; K52-D54 HydrophobicContact CG-CB 3.95Å; K52-D54 PolarHBondContact O-N 3.32Å; K52-I57 HydrophobicContact CB-CD1 4.35Å; K52-I57 HydrophobicContact CG-CD1 3.53Å
53	D	97.7	Very high	97.8	Very high	111 Å²	111	80.8 Å²	80.8	59%	0.594	39%	0.39	S	S	*	.			trans	-80.9	81.2	172.6	-166.4	7.4	0	0	109.7	K49	K49-D53 VanDerWaalsContact CE-CG 3.49Å; K49-D53 VanDerWaalsContact CE-OD1 3.27Å; K49-D53 WeakPolarHBondContact CE-OD1 3.49Å; K49-D53 WeakPolarHBondContact CE-OD2 3.15Å; K49-D53 HydrophobicContact CG-CB 3.92Å; K49-D53 PolarHBondContact O-N 3.36Å; K49-D53 VanDerWaalsContact O-N 3.17Å
54	D	98.4	Very high	97.8	Very high	51 Å²	51	79.4 Å²	79.4	27%	0.273	39%	0.385	S	S	.	.			trans	-130.1	122.2	179.4	-175.4	-72	0	0	109.8	K52 E56 I57 L58	K52-D54 VanDerWaalsContact C-N 3.32Å; K52-D54 HydrophobicContact CD-CB 4.47Å; K52-D54 HydrophobicContact CG-CB 3.95Å; K52-D54 PolarHBondContact O-N 3.32Å; D54-E56 VanDerWaalsContact C-N 3.29Å; D54-E56 PolarHBondContact O-N 3.43Å; D54-E56 WeakPolarHBondContact OD1-CB 3.37Å; D54-E56 PolarHBondContact OD1-N 2.94Å; D54-I57 HydrophobicContact CB-CB 4.09Å; D54-I57 HydrophobicContact CB-CD1 3.9Å; D54-I57 HydrophobicContact CB-CG1 3.99Å; D54-I57 PolarHBondContact O-N 2.99Å; D54-I57 VanDerWaalsContact O-N 3.13Å; D54-I57 PolarHBondContact OD1-N 2.85Å; D54-L58 WeakPolarHBondContact O-CG 3.21Å; D54-L58 PolarHBondContact O-N 2.89Å
55	P	97.9	Very high	97.7	Very high	105 Å²	105	78.3 Å²	78.3	68%	0.682	38%	0.381	S	S	*	.	H	α-helix	trans	-57.9	-36.1	-174.6	-26.9	34.4	0	0	114.7	E59	P55-E59 WeakPolarHBondContact O-CB 3.03Å; P55-E59 PolarHBondContact O-N 3.19Å
56	E	98	Very high	97.8	Very high	155 Å²	155	84 Å²	84	72%	0.724	41%	0.406	S	S	*	.	H	α-helix	trans	-70.9	-37.9	-179.6	-173.8	177.9	179.9	0	110.6	D54 N60	D54-E56 VanDerWaalsContact C-N 3.29Å; D54-E56 PolarHBondContact O-N 3.43Å; D54-E56 WeakPolarHBondContact OD1-CB 3.37Å; D54-E56 PolarHBondContact OD1-N 2.94Å; E56-N60 WeakPolarHBondContact O-CB 3.43Å; E56-N60 PolarHBondContact O-N 3.22Å; E56-N60 VanDerWaalsContact O-N 3.11Å
57	I	97.8	Very high	97.7	Very high	68 Å²	68	82 Å²	82	35%	0.349	40%	0.404	S	S	.	.	H	α-helix	trans	-66.4	-45.7	175.4	-63.8	-179.4	0	0	110.6	V48 K52 D54 N60 T61	V48-I57 HydrophobicContact CG1-CG2 4.12Å; K52-I57 HydrophobicContact CB-CD1 4.35Å; K52-I57 HydrophobicContact CG-CD1 3.53Å; D54-I57 HydrophobicContact CB-CB 4.09Å; D54-I57 HydrophobicContact CB-CD1 3.9Å; D54-I57 HydrophobicContact CB-CG1 3.99Å; D54-I57 PolarHBondContact O-N 2.99Å; D54-I57 VanDerWaalsContact O-N 3.13Å; D54-I57 PolarHBondContact OD1-N 2.85Å; I57-N60 PolarHBondContact O-N 3.07Å; I57-T61 WeakPolarHBondContact O-CB 3.46Å; I57-T61 PolarHBondContact O-N 2.69Å; I57-T61 PolarHBondContact O-OG1 2.68Å; I57-T61 VanDerWaalsContact O-OG1 3.08Å
58	L	98.1	Very high	97.7	Very high	28 Å²	28	81.4 Å²	81.4	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-65.3	-41.4	-179.6	-62.6	179.1	0	0	112	V48 K49 D54 N60 T61 E62	V48-L58 HydrophobicContact CG1-CD2 4.34Å; K49-L58 HydrophobicContact CB-CD1 4.38Å; K49-L58 HydrophobicContact CB-CD2 3.87Å; K49-L58 HydrophobicContact CD-CD1 4.21Å; K49-L58 HydrophobicContact CG-CD1 4.06Å; K49-L58 HydrophobicContact CG-CD2 4.41Å; D54-L58 WeakPolarHBondContact O-CG 3.21Å; D54-L58 PolarHBondContact O-N 2.89Å; L58-N60 VanDerWaalsContact C-N 3.31Å; L58-N60 PolarHBondContact O-N 3.48Å; L58-T61 WeakPolarHBondContact O-CB 3.42Å; L58-T61 PolarHBondContact O-N 3.07Å; L58-E62 PolarHBondContact O-N 3.32Å
59	E	97.6	Very high	97.7	Very high	105 Å²	105	83.3 Å²	83.3	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-60.3	-41.6	174.3	-173.6	-171.7	163.9	0	111.5	P55 K63	P55-E59 WeakPolarHBondContact O-CB 3.03Å; P55-E59 PolarHBondContact O-N 3.19Å; E59-K63 WeakPolarHBondContact O-CG 3.41Å; E59-K63 PolarHBondContact O-N 3.46Å; E59-K63 WeakPolarHBondContact OE1-CE 3.47Å; E59-K63 IonicContact OE1-NZ 2.64Å; E59-K63 PolarHBondContact OE1-NZ 3.38Å
60	N	97.2	Very high	97.6	Very high	88 Å²	88	84.4 Å²	84.4	47%	0.471	43%	0.429	S	S	.	.	H	α-helix	trans	-68.3	-40.3	177.3	-172.8	51.9	0	0	112	E56 I57 L58 E62 K63 I64	E56-N60 WeakPolarHBondContact O-CB 3.43Å; E56-N60 PolarHBondContact O-N 3.22Å; E56-N60 VanDerWaalsContact O-N 3.11Å; I57-N60 PolarHBondContact O-N 3.07Å; L58-N60 VanDerWaalsContact C-N 3.31Å; L58-N60 PolarHBondContact O-N 3.48Å; N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.22Å; N60-K63 PolarHBondContact O-N 3.25Å; N60-I64 WeakPolarHBondContact O-CG1 3.42Å; N60-I64 PolarHBondContact O-N 3.39Å
61	T	98	Very high	97.7	Very high	14 Å²	14	82.7 Å²	82.7	9%	0.086	43%	0.427	C	S	.	.	H	α-helix	trans	-56.1	-47.3	174.4	-71.9	0	0	0	111.2	Y44 V48 I57 L58 K63 I64 K65	Y44-T61 HydrophobicContact CD1-CG2 3.55Å; Y44-T61 HydrophobicContact CE1-CG2 3.57Å; V48-T61 HydrophobicContact CB-CG2 4.23Å; V48-T61 HydrophobicContact CG2-CG2 3.85Å; I57-T61 WeakPolarHBondContact O-CB 3.46Å; I57-T61 PolarHBondContact O-N 2.69Å; I57-T61 PolarHBondContact O-OG1 2.68Å; I57-T61 VanDerWaalsContact O-OG1 3.08Å; L58-T61 WeakPolarHBondContact O-CB 3.42Å; L58-T61 PolarHBondContact O-N 3.07Å; T61-K63 PolarHBondContact O-N 3.27Å; T61-I64 PolarHBondContact O-N 3.07Å; T61-K65 VanDerWaalsContact O-CB 3.31Å; T61-K65 WeakPolarHBondContact O-CB 3.49Å; T61-K65 PolarHBondContact O-N 3.12Å
62	E	97.5	Very high	97.7	Very high	103 Å²	103	78.9 Å²	78.9	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-61.3	-43	177.2	-72.6	179.3	-176.3	0	112.3	A45 L58 N60 K65 Q66	A45-E62 HydrophobicContact CB-CG 4.42Å; L58-E62 PolarHBondContact O-N 3.32Å; N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.22Å; E62-K65 PolarHBondContact O-N 3.07Å; E62-Q66 WeakPolarHBondContact O-CB 3.29Å; E62-Q66 PolarHBondContact O-N 2.98Å
63	K	97.9	Very high	97.7	Very high	110 Å²	110	78.3 Å²	78.3	48%	0.478	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-44.6	177.7	-73.8	171.5	-174.7	165.8	112.5	E59 N60 T61 K65 Q66 C67	E59-K63 WeakPolarHBondContact O-CG 3.41Å; E59-K63 PolarHBondContact O-N 3.46Å; E59-K63 WeakPolarHBondContact OE1-CE 3.47Å; E59-K63 IonicContact OE1-NZ 2.64Å; E59-K63 PolarHBondContact OE1-NZ 3.38Å; N60-K63 PolarHBondContact O-N 3.25Å; T61-K63 PolarHBondContact O-N 3.27Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K63-Q66 PolarHBondContact O-N 2.97Å; K63-C67 PolarHBondContact O-N 3.06Å
64	I	98	Very high	97.7	Very high	76 Å²	76	79.7 Å²	79.7	39%	0.39	42%	0.419	S	S	.	.	H	α-helix	trans	-65.1	-43.7	178.1	-64.6	171.1	0	0	109.5	F36 N60 T61 Q66 C67 V68	F36-I64 HydrophobicContact CE2-CG2 3.67Å; F36-I64 HydrophobicContact CZ-CG2 3.74Å; N60-I64 WeakPolarHBondContact O-CG1 3.42Å; N60-I64 PolarHBondContact O-N 3.39Å; T61-I64 PolarHBondContact O-N 3.07Å; I64-Q66 PolarHBondContact O-N 3.29Å; I64-C67 VanDerWaalsContact O-CB 3.29Å; I64-C67 WeakPolarHBondContact O-CB 3.33Å; I64-C67 PolarHBondContact O-N 3.44Å; I64-C67 VanDerWaalsContact O-N 3.17Å; I64-V68 PolarHBondContact O-N 2.97Å
65	K	98	Very high	97.6	Very high	0 Å²	0	82.6 Å²	82.6	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-61.7	-43.9	177.9	-173.3	60	169.9	76.5	112.1	L35 F36 G39 Y44 T61 E62 K63 C67 V68 D69	L35-K65 WeakPolarHBondContact O-CE 3.44Å; F36-K65 HydrophobicContact CD2-CD 4.26Å; F36-K65 WeakPolarHBondContact O-CD 3.31Å; F36-K65 WeakPolarHBondContact O-CE 3Å; G39-K65 VanDerWaalsContact O-CE 3.24Å; G39-K65 WeakPolarHBondContact O-CE 3.5Å; G39-K65 PolarHBondContact O-NZ 3.29Å; Y44-K65 HydrophobicContact CD1-CB 4.05Å; Y44-K65 HydrophobicContact CD1-CD 3.96Å; Y44-K65 HydrophobicContact CD1-CG 4.13Å; Y44-K65 HydrophobicContact CG-CD 4.26Å; T61-K65 VanDerWaalsContact O-CB 3.31Å; T61-K65 WeakPolarHBondContact O-CB 3.49Å; T61-K65 PolarHBondContact O-N 3.12Å; E62-K65 PolarHBondContact O-N 3.07Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K65-C67 VanDerWaalsContact C-N 3.3Å; K65-C67 PolarHBondContact O-N 2.89Å; K65-V68 WeakPolarHBondContact O-CB 3.14Å; K65-V68 PolarHBondContact O-N 2.95Å; K65-D69 IonicContact NZ-OD1 2.7Å; K65-D69 PolarHBondContact NZ-OD1 2.97Å; K65-D69 IonicContact NZ-OD2 2.67Å; K65-D69 PolarHBondContact NZ-OD2 3.34Å; K65-D69 PolarHBondContact O-N 3.04Å
66	Q	97.8	Very high	97.6	Very high	131 Å²	131	80.3 Å²	80.3	61%	0.612	41%	0.413	S	S	*	.	H	α-helix	trans	-59.2	-41.1	174.4	-174.5	-178.2	7.1	0	111.9	E62 K63 I64 D69 S70	E62-Q66 WeakPolarHBondContact O-CB 3.29Å; E62-Q66 PolarHBondContact O-N 2.98Å; K63-Q66 PolarHBondContact O-N 2.97Å; I64-Q66 PolarHBondContact O-N 3.29Å; Q66-D69 PolarHBondContact O-N 2.83Å; Q66-S70 VanDerWaalsContact O-CB 3.28Å; Q66-S70 WeakPolarHBondContact O-CB 3.24Å; Q66-S70 PolarHBondContact O-N 2.9Å; Q66-S70 PolarHBondContact O-OG 3.42Å
67	C	97.7	Very high	97.6	Very high	75 Å²	75	73.7 Å²	73.7	51%	0.507	38%	0.382	S	S	.	.	H	α-helix	trans	-58.4	-49.9	175	-176.6	0	0	0	111	K63 I64 K65 D69 S70 T71	K63-C67 PolarHBondContact O-N 3.06Å; I64-C67 VanDerWaalsContact O-CB 3.29Å; I64-C67 WeakPolarHBondContact O-CB 3.33Å; I64-C67 PolarHBondContact O-N 3.44Å; I64-C67 VanDerWaalsContact O-N 3.17Å; K65-C67 VanDerWaalsContact C-N 3.3Å; K65-C67 PolarHBondContact O-N 2.89Å; C67-D69 PolarHBondContact O-N 3.49Å; C67-S70 PolarHBondContact O-N 2.91Å; C67-S70 PolarHBondContact O-OG 3.37Å; C67-T71 VanDerWaalsContact O-CB 3.24Å; C67-T71 WeakPolarHBondContact O-CB 2.93Å; C67-T71 PolarHBondContact O-N 2.91Å; C67-T71 VanDerWaalsContact O-N 3.08Å; C67-T71 PolarHBondContact O-OG1 3.09Å
68	V	97.7	Very high	97.5	Very high	16 Å²	16	73.1 Å²	73.1	10%	0.097	39%	0.387	C	S	.	.	H	α-helix	trans	-58.5	-49.3	177.3	168.7	0	0	0	111.7	F36 I64 K65 S70 T71 L72	F36-V68 HydrophobicContact CE1-CG2 3.74Å; F36-V68 HydrophobicContact CE2-CG2 3.97Å; F36-V68 HydrophobicContact CZ-CB 4.48Å; F36-V68 HydrophobicContact CZ-CG2 3.38Å; I64-V68 PolarHBondContact O-N 2.97Å; K65-V68 WeakPolarHBondContact O-CB 3.14Å; K65-V68 PolarHBondContact O-N 2.95Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.14Å; V68-T71 PolarHBondContact O-N 3.14Å; V68-L72 HydrophobicContact CG1-CB 4.48Å; V68-L72 HydrophobicContact CG1-CD1 3.86Å; V68-L72 HydrophobicContact CG1-CG 4.15Å; V68-L72 WeakPolarHBondContact O-CB 3.3Å; V68-L72 PolarHBondContact O-N 2.76Å
69	D	97.4	Very high	97.5	Very high	62 Å²	62	78.2 Å²	78.2	33%	0.332	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-30.5	-178	-70.6	-25.1	0	0	113.4	K65 Q66 C67 K77	K65-D69 IonicContact NZ-OD1 2.7Å; K65-D69 PolarHBondContact NZ-OD1 2.97Å; K65-D69 IonicContact NZ-OD2 2.67Å; K65-D69 PolarHBondContact NZ-OD2 3.34Å; K65-D69 PolarHBondContact O-N 3.04Å; Q66-D69 PolarHBondContact O-N 2.83Å; C67-D69 PolarHBondContact O-N 3.49Å; D69-K77 IonicContact OD1-NZ 2.69Å; D69-K77 PolarHBondContact OD1-NZ 3.19Å
70	S	97.5	Very high	97.5	Very high	93 Å²	93	75 Å²	75	65%	0.65	40%	0.401	S	S	*	.	H	α-helix	trans	-80.2	-18.5	176.7	68.4	0	0	0	114.1	Q66 C67 V68	Q66-S70 VanDerWaalsContact O-CB 3.28Å; Q66-S70 WeakPolarHBondContact O-CB 3.24Å; Q66-S70 PolarHBondContact O-N 2.9Å; Q66-S70 PolarHBondContact O-OG 3.42Å; C67-S70 PolarHBondContact O-N 2.91Å; C67-S70 PolarHBondContact O-OG 3.37Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.14Å
71	T	98.1	Very high	97.4	Very high	90 Å²	90	72.8 Å²	72.8	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-114.7	-48	-168.4	-53.8	0	0	0	112.9	C67 V68 M73	C67-T71 VanDerWaalsContact O-CB 3.24Å; C67-T71 WeakPolarHBondContact O-CB 2.93Å; C67-T71 PolarHBondContact O-N 2.91Å; C67-T71 VanDerWaalsContact O-N 3.08Å; C67-T71 PolarHBondContact O-OG1 3.09Å; V68-T71 PolarHBondContact O-N 3.14Å; T71-M73 PolarHBondContact O-N 3.2Å
72	L	97.4	Very high	97.3	Very high	60 Å²	60	73.2 Å²	73.2	31%	0.314	40%	0.396	S	S	.	.			trans	-78.6	121.6	-176	-62	-165.3	0	0	109.9	L37 V68 D76 K77	L37-L72 HydrophobicContact CD2-CD1 4.11Å; V68-L72 HydrophobicContact CG1-CB 4.48Å; V68-L72 HydrophobicContact CG1-CD1 3.86Å; V68-L72 HydrophobicContact CG1-CG 4.15Å; V68-L72 WeakPolarHBondContact O-CB 3.3Å; V68-L72 PolarHBondContact O-N 2.76Å; L72-D76 HydrophobicContact CB-CB 4.22Å; L72-D76 HydrophobicContact CD2-CB 4.3Å; L72-K77 HydrophobicContact CB-CG 4.15Å
73	M	96.9	Very high	97.1	Very high	104 Å²	104	74.5 Å²	74.5	51%	0.512	40%	0.401	S	S	.	.			trans	-73.4	161.8	172.7	-61	-177.8	-69.5	0	110	T71 E75 D76 K77	T71-M73 PolarHBondContact O-N 3.2Å; M73-E75 HydrophobicContact CB-CG 3.89Å; M73-E75 HydrophobicContact CE-CG 4.07Å; M73-E75 WeakPolarHBondContact CE-OE1 3.2Å; M73-E75 PolarHBondContact O-N 3.5Å; M73-E75 VanDerWaalsContact O-N 3.14Å; M73-D76 PolarHBondContact N-OD2 2.98Å; M73-D76 WeakPolarHBondContact O-CB 3.3Å; M73-D76 PolarHBondContact O-N 2.02Å; M73-K77 PolarHBondContact O-N 3.28Å; M73-K77 VanDerWaalsContact O-N 3.09Å
74	E	96.2	Very high	96.9	Very high	140 Å²	140	70.8 Å²	70.8	65%	0.654	39%	0.386	S	S	*	.	H	α-helix	trans	-55.2	-32.9	176.2	-64	-56.7	124	0	112.4	K77 A78	E74-K77 IonicContact OE1-NZ 3.37Å; E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.27Å; E74-A78 PolarHBondContact O-N 3.33Å
75	E	97.4	Very high	96.6	Very high	112 Å²	112	73.3 Å²	73.3	52%	0.523	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174.2	59.2	-178.4	-163.7	0	113.1	M73 A78 H79	M73-E75 HydrophobicContact CB-CG 3.89Å; M73-E75 HydrophobicContact CE-CG 4.07Å; M73-E75 WeakPolarHBondContact CE-OE1 3.2Å; M73-E75 PolarHBondContact O-N 3.5Å; M73-E75 VanDerWaalsContact O-N 3.14Å; E75-A78 PolarHBondContact O-N 3.5Å; E75-H79 PolarHBondContact O-N 3.11Å; E75-H79 PolarHBondContact O-ND1 2.83Å
76	D	97.8	Very high	96.4	Very high	57 Å²	57	80.8 Å²	80.8	31%	0.305	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-43	176.7	-59.9	-49.4	0	0	110.8	L72 M73 H79 A80	L72-D76 HydrophobicContact CB-CB 4.22Å; L72-D76 HydrophobicContact CD2-CB 4.3Å; M73-D76 PolarHBondContact N-OD2 2.98Å; M73-D76 WeakPolarHBondContact O-CB 3.3Å; M73-D76 PolarHBondContact O-N 2.02Å; D76-H79 PolarHBondContact O-N 2.69Å; D76-A80 PolarHBondContact O-N 3.2Å
77	K	97.5	Very high	96	Very high	16 Å²	16	77.2 Å²	77.2	7%	0.07	41%	0.413	C	S	.	.	H	α-helix	trans	-62.6	-44.4	175.8	-64.9	175.8	174.6	-162.3	111.1	L37 D69 L72 M73 E74 H79 A80 N81	L37-K77 VanDerWaalsContact O-CD 3.23Å; L37-K77 WeakPolarHBondContact O-CD 3.4Å; L37-K77 WeakPolarHBondContact O-CE 3.37Å; L37-K77 PolarHBondContact O-NZ 3.33Å; D69-K77 IonicContact OD1-NZ 2.69Å; D69-K77 PolarHBondContact OD1-NZ 3.19Å; L72-K77 HydrophobicContact CB-CG 4.15Å; M73-K77 PolarHBondContact O-N 3.28Å; M73-K77 VanDerWaalsContact O-N 3.09Å; E74-K77 IonicContact OE1-NZ 3.37Å; K77-H79 PolarHBondContact O-N 3.17Å; K77-A80 PolarHBondContact O-N 2.91Å; K77-N81 WeakPolarHBondContact O-CB 3.39Å; K77-N81 VanDerWaalsContact O-CG 3.29Å; K77-N81 PolarHBondContact O-N 2.92Å; K77-N81 PolarHBondContact O-ND2 3.42Å
78	A	97	Very high	95.5	Very high	56 Å²	56	77.1 Å²	77.1	46%	0.463	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-41.1	176.2	0	0	0	0	112.2	E74 E75 N81 G82	E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.27Å; E74-A78 PolarHBondContact O-N 3.33Å; E75-A78 PolarHBondContact O-N 3.5Å; A78-N81 PolarHBondContact O-N 3.41Å; A78-G82 PolarHBondContact O-N 3.49Å
79	H	97.7	Very high	95.1	Very high	135 Å²	135	80.1 Å²	80.1	63%	0.625	43%	0.432	S	S	*	.	H	α-helix	trans	-63	-42.2	174.8	-68.2	138.8	0	0	112.2	E75 D76 K77 G82 F83	E75-H79 PolarHBondContact O-N 3.11Å; E75-H79 PolarHBondContact O-ND1 2.83Å; D76-H79 PolarHBondContact O-N 2.69Å; K77-H79 PolarHBondContact O-N 3.17Å; H79-G82 PolarHBondContact O-N 2.95Å; H79-F83 PolarHBondContact O-N 3.41Å
80	A	96.3	Very high	94.5	Very high	37 Å²	37	79 Å²	79	31%	0.306	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-48.5	175.7	0	0	0	0	111.4	L37 D76 K77 G82 F83 I84	L37-A80 HydrophobicContact CD1-CB 3.69Å; L37-A80 HydrophobicContact CD2-CB 4.45Å; D76-A80 PolarHBondContact O-N 3.2Å; K77-A80 PolarHBondContact O-N 2.91Å; A80-G82 VanDerWaalsContact C-N 3.33Å; A80-G82 PolarHBondContact O-N 3.28Å; A80-F83 WeakPolarHBondContact O-CB 3.48Å; A80-F83 PolarHBondContact O-N 3.02Å; A80-I84 WeakPolarHBondContact O-CG1 3.29Å; A80-I84 PolarHBondContact O-N 3.37Å; A80-I84 VanDerWaalsContact O-N 3.07Å
81	N	95.7	Very high	93.7	Very high	42 Å²	42	80.3 Å²	80.3	23%	0.225	44%	0.435	C	S	.	.	H	α-helix	trans	-56.7	-45.8	175.3	-70.7	-32.4	0	0	111.3	N38 K77 A78 F83 I84 E85	N38-N81 PolarHBondContact ND2-ND2 3.39Å; N38-N81 PolarHBondContact ND2-OD1 3.27Å; N38-N81 PolarHBondContact OD1-ND2 2.9Å; N38-N81 VanDerWaalsContact OD1-ND2 3.07Å; K77-N81 WeakPolarHBondContact O-CB 3.39Å; K77-N81 VanDerWaalsContact O-CG 3.29Å; K77-N81 PolarHBondContact O-N 2.92Å; K77-N81 PolarHBondContact O-ND2 3.42Å; A78-N81 PolarHBondContact O-N 3.41Å; N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 2.86Å; N81-I84 WeakPolarHBondContact O-CB 3.31Å; N81-I84 PolarHBondContact O-N 2.86Å; N81-I84 VanDerWaalsContact O-N 3.12Å; N81-E85 WeakPolarHBondContact O-CG 3.41Å; N81-E85 PolarHBondContact O-N 3.39Å
82	G	95.5	Very high	92.6	Very high	22 Å²	22	83.9 Å²	83.9	23%	0.227	45%	0.449	C	S	.	.	H	α-helix	trans	-65.4	-25.7	177.4	0	0	0	0	114.1	A78 H79 A80 K86	A78-G82 PolarHBondContact O-N 3.49Å; H79-G82 PolarHBondContact O-N 2.95Å; A80-G82 VanDerWaalsContact C-N 3.33Å; A80-G82 PolarHBondContact O-N 3.28Å; G82-K86 VanDerWaalsContact O-CG 3.31Å; G82-K86 WeakPolarHBondContact O-CG 3.32Å; G82-K86 PolarHBondContact O-N 3.4Å
83	F	94	Very high	91.2	Very high	131 Å²	131	83 Å²	83	58%	0.575	45%	0.448	S	S	*	.	H	α-helix	trans	-72.3	-41.7	171.1	179.8	-109	0	0	111.7	H79 A80 N81 K86 I87	H79-F83 PolarHBondContact O-N 3.41Å; A80-F83 WeakPolarHBondContact O-CB 3.48Å; A80-F83 PolarHBondContact O-N 3.02Å; N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 2.86Å; F83-K86 WeakPolarHBondContact O-CB 3.26Å; F83-K86 PolarHBondContact O-N 2.93Å; F83-I87 HydrophobicContact CD1-CD1 3.9Å; F83-I87 HydrophobicContact CE1-CD1 3.45Å; F83-I87 VanDerWaalsContact CE1-CD1 3.45Å; F83-I87 HydrophobicContact CE1-CG1 4.29Å; F83-I87 HydrophobicContact CZ-CD1 3.85Å; F83-I87 HydrophobicContact CZ-CG1 4.29Å; F83-I87 PolarHBondContact O-N 3.47Å; F83-I87 VanDerWaalsContact O-N 3.11Å
84	I	92.9	Very high	90.9	Very high	32 Å²	32	81.9 Å²	81.9	16%	0.164	44%	0.444	C	S	.	.	H	α-helix	trans	-59.4	-47	174.3	-60.7	-64.5	0	0	110.6	I25 V33 A80 N81 K86 I87 E88	I25-I84 HydrophobicContact CD1-CB 4.43Å; I25-I84 HydrophobicContact CD1-CD1 3.39Å; I25-I84 HydrophobicContact CD1-CG1 4.4Å; I25-I84 HydrophobicContact CD1-CG2 3.69Å; V33-I84 HydrophobicContact CG1-CD1 4.25Å; V33-I84 HydrophobicContact CG1-CG1 4.24Å; A80-I84 WeakPolarHBondContact O-CG1 3.29Å; A80-I84 PolarHBondContact O-N 3.37Å; A80-I84 VanDerWaalsContact O-N 3.07Å; N81-I84 WeakPolarHBondContact O-CB 3.31Å; N81-I84 PolarHBondContact O-N 2.86Å; N81-I84 VanDerWaalsContact O-N 3.12Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 3.24Å; I84-I87 WeakPolarHBondContact O-CB 3.34Å; I84-I87 PolarHBondContact O-N 3.1Å; I84-I87 VanDerWaalsContact O-N 3.07Å; I84-E88 PolarHBondContact O-N 3.09Å
85	E	92.6	Very high	90.6	Very high	129 Å²	129	78.8 Å²	78.8	60%	0.603	43%	0.433	S	S	*	.	H	α-helix	trans	-57.4	-38	176.4	-70.9	176.5	176.5	0	112.6	N81 E88 A89	N81-E85 WeakPolarHBondContact O-CG 3.41Å; N81-E85 PolarHBondContact O-N 3.39Å; E85-E88 PolarHBondContact O-N 3.31Å; E85-A89 VanDerWaalsContact O-CB 3.26Å; E85-A89 WeakPolarHBondContact O-CB 3.12Å; E85-A89 PolarHBondContact O-N 3.49Å
86	K	92.7	Very high	90.2	Very high	156 Å²	156	77 Å²	77	68%	0.678	43%	0.428	S	S	*	.	H	α-helix	trans	-68.1	-35.4	176.5	-75	171.2	-176.7	174	113.1	G82 F83 I84 S90	G82-K86 VanDerWaalsContact O-CG 3.31Å; G82-K86 WeakPolarHBondContact O-CG 3.32Å; G82-K86 PolarHBondContact O-N 3.4Å; F83-K86 WeakPolarHBondContact O-CB 3.26Å; F83-K86 PolarHBondContact O-N 2.93Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 3.24Å; K86-S90 PolarHBondContact O-N 3.25Å
87	I	89.2	Confident	89.8	Confident	56 Å²	56	78.2 Å²	78.2	29%	0.287	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-47	174.4	-69.2	168.5	0	0	109.2	I25 F83 I84 A89 S90	I25-I87 HydrophobicContact CG1-CG2 4.12Å; F83-I87 HydrophobicContact CD1-CD1 3.9Å; F83-I87 HydrophobicContact CE1-CD1 3.45Å; F83-I87 VanDerWaalsContact CE1-CD1 3.45Å; F83-I87 HydrophobicContact CE1-CG1 4.29Å; F83-I87 HydrophobicContact CZ-CD1 3.85Å; F83-I87 HydrophobicContact CZ-CG1 4.29Å; F83-I87 PolarHBondContact O-N 3.47Å; F83-I87 VanDerWaalsContact O-N 3.11Å; I84-I87 WeakPolarHBondContact O-CB 3.34Å; I84-I87 PolarHBondContact O-N 3.1Å; I84-I87 VanDerWaalsContact O-N 3.07Å; I87-A89 PolarHBondContact O-N 3.01Å; I87-S90 VanDerWaalsContact O-CB 3.27Å; I87-S90 WeakPolarHBondContact O-CB 3.36Å; I87-S90 PolarHBondContact O-N 3.45Å
88	E	87.7	Confident	89.3	Confident	74 Å²	74	82.1 Å²	82.1	35%	0.346	46%	0.459	S	S	.	.	H	α-helix	trans	-68.7	-33	-178.7	-64.4	-167.3	130.5	0	113.6	K30 I84 E85 S90	K30-E88 WeakPolarHBondContact CD-OE1 3.48Å; K30-E88 WeakPolarHBondContact CE-OE1 3.47Å; K30-E88 WeakPolarHBondContact CE-OE2 3.49Å; K30-E88 IonicContact NZ-OE1 2.68Å; K30-E88 PolarHBondContact NZ-OE1 2.87Å; K30-E88 IonicContact NZ-OE2 3.99Å; K30-E88 PolarHBondContact NZ-OE2 3.47Å; I84-E88 PolarHBondContact O-N 3.09Å; E85-E88 PolarHBondContact O-N 3.31Å; E88-S90 VanDerWaalsContact C-N 3.33Å
89	A	89	Confident	88.8	Confident	79 Å²	79	83.8 Å²	83.8	65%	0.653	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.4	178.3	0	0	0	0	113.8	E85 I87 P91	E85-A89 VanDerWaalsContact O-CB 3.26Å; E85-A89 WeakPolarHBondContact O-CB 3.12Å; E85-A89 PolarHBondContact O-N 3.49Å; I87-A89 PolarHBondContact O-N 3.01Å; A89-P91 WeakPolarHBondContact O-CD 3.35Å
90	S	86.1	Confident	88.2	Confident	37 Å²	37	80.1 Å²	80.1	26%	0.259	45%	0.446	S	S	.	.			trans	-60.5	126.9	-178	177.1	0	0	0	110.5	K86 I87 E88 L92 C93	K86-S90 PolarHBondContact O-N 3.25Å; I87-S90 VanDerWaalsContact O-CB 3.27Å; I87-S90 WeakPolarHBondContact O-CB 3.36Å; I87-S90 PolarHBondContact O-N 3.45Å; E88-S90 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.45Å; S90-L92 PolarHBondContact OG-N 3.46Å; S90-C93 CarbonylContact O-C 3.34Å; S90-C93 VanDerWaalsContact O-CA 3.3Å; S90-C93 WeakPolarHBondContact O-CA 3.39Å; S90-C93 WeakPolarHBondContact O-CB 3.36Å; S90-C93 PolarHBondContact O-N 3.4Å
91	P	79.1	Confident	87.5	Confident	122 Å²	122	83.5 Å²	83.5	79%	0.792	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.4	172.4	-15.9	30.6	0	0	114.2	A89 C93	A89-P91 WeakPolarHBondContact O-CD 3.35Å; P91-C93 VanDerWaalsContact C-N 3.32Å; P91-C93 VanDerWaalsContact CA-OXT 3.3Å; P91-C93 WeakPolarHBondContact CA-OXT 3.37Å
92	L	75.3	Confident	86.9	Confident	164 Å²	164	86.9 Å²	86.9	86%	0.859	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.1	168.1	-57.7	178.8	0	0	111.3	S90	S90-L92 PolarHBondContact O-N 3.45Å; S90-L92 PolarHBondContact OG-N 3.46Å
93	C	68.1	Low	86.1	Confident	41 Å²	41	92.8 Å²	92.8	28%	0.277	50%	0.499	S	S	.	.			trans	-85.6	0	144.8	-70.3	0	0	0	109.2	W20 C23 G24 S90 P91	W20-C93 PolarHBondContact NE1-O 3.41Å; C23-C93 HydrophobicContact CB-CB 3.32Å; C23-C93 WeakPolarHBondContact CB-SG 3.46Å; C23-C93 WeakPolarHBondContact SG-CA 3.24Å; C23-C93 WeakPolarHBondContact SG-CB 3.22Å; C23-C93 CovalentContact SG-SG 2.02Å; C23-C93 PolarHBondContact SG-SG 3.45Å; G24-C93 PolarHBondContact N-SG 2.96Å; S90-C93 CarbonylContact O-C 3.34Å; S90-C93 VanDerWaalsContact O-CA 3.3Å; S90-C93 WeakPolarHBondContact O-CA 3.39Å; S90-C93 WeakPolarHBondContact O-CB 3.36Å; S90-C93 PolarHBondContact O-N 3.4Å; P91-C93 VanDerWaalsContact C-N 3.32Å; P91-C93 VanDerWaalsContact CA-OXT 3.3Å; P91-C93 WeakPolarHBondContact CA-OXT 3.37Å

Retrieved 93 of 93 residues in 18.3 ms (Link to these results)

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