A0A077YUW8_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YUW8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	N	40.4	Very low	37.6	Very low	222 Å²	222	125.5 Å²	125.5	100%	1.187	78%	0.781	S	S	*	*				0	117.5	0	-66.4	-7	0	0	0	110.1
2	G	37.1	Very low	37	Very low	75 Å²	75	119.2 Å²	119.2	77%	0.773	76%	0.759	S	S	*	*			trans	76.2	78	155.9	0	0	0	0	0	116.7	S4	G2-S4 VanDerWaalsContact C-N 3.3Å; G2-S4 PolarHBondContact O-N 3.06Å; G2-S4 VanDerWaalsContact O-N 3.09Å
3	A	41.4	Very low	37.3	Very low	97 Å²	97	119.6 Å²	119.6	80%	0.802	76%	0.763	S	S	*	*			trans	-63.5	97.2	145.4	0	0	0	0	0	107.2	T5	A3-T5 PolarHBondContact O-N 3.18Å; A3-T5 VanDerWaalsContact O-N 3.12Å
4	S	40.1	Very low	37.3	Very low	113 Å²	113	116.1 Å²	116.1	79%	0.79	74%	0.743	S	S	*	*			trans	-79.5	85.6	162	45.3	0	0	0	0	107.4	G2 F6	G2-S4 VanDerWaalsContact C-N 3.3Å; G2-S4 PolarHBondContact O-N 3.06Å; G2-S4 VanDerWaalsContact O-N 3.09Å; S4-F6 PolarHBondContact O-N 3.34Å
5	T	35.7	Very low	37.6	Very low	126 Å²	126	116.9 Å²	116.9	77%	0.773	75%	0.746	S	S	*	*			trans	-50.1	91	150.4	43	0	0	0	0	108.1	A3 S7	A3-T5 PolarHBondContact O-N 3.18Å; A3-T5 VanDerWaalsContact O-N 3.12Å; T5-S7 PolarHBondContact O-N 3.11Å
6	F	37.3	Very low	37.9	Very low	194 Å²	194	112.6 Å²	112.6	85%	0.851	72%	0.721	S	S	*	*			trans	-75.2	96.6	160.1	-150.7	-92.9	0	0	0	105.4	S4 E8	S4-F6 PolarHBondContact O-N 3.34Å; F6-E8 PolarHBondContact O-N 3.39Å; F6-E8 VanDerWaalsContact O-N 3.13Å
7	S	36.4	Very low	38.4	Very low	94 Å²	94	118.5 Å²	118.5	66%	0.657	73%	0.733	S	S	*	*			trans	-38.3	115.1	171.9	33.2	0	0	0	0	110.8	T5 S9	T5-S7 PolarHBondContact O-N 3.11Å; S7-S9 PolarHBondContact O-N 3.24Å
8	E	34.1	Very low	38.8	Very low	175 Å²	175	113.2 Å²	113.2	82%	0.818	71%	0.706	S	S	*	*			trans	-59	83.8	161.2	-170.6	161.2	159.7	0	0	108.6	F6 S10	F6-E8 PolarHBondContact O-N 3.39Å; F6-E8 VanDerWaalsContact O-N 3.13Å; E8-S10 PolarHBondContact O-N 3.42Å; E8-S10 VanDerWaalsContact O-N 3.14Å
9	S	34.3	Very low	39.7	Very low	100 Å²	100	110.3 Å²	110.3	70%	0.699	69%	0.688	S	S	*	*			trans	-74.6	90.5	153.1	56.4	0	0	0	0	105.7	S7 P11	S7-S9 PolarHBondContact O-N 3.24Å; S9-P11 WeakPolarHBondContact O-CD 3.27Å
10	S	35.1	Very low	40.5	Very low	87 Å²	87	107.2 Å²	107.2	61%	0.608	67%	0.669	S	S	*	*			trans	-57.4	111	155.4	-56.1	0	0	0	0	106.7	E8 G12	E8-S10 PolarHBondContact O-N 3.42Å; E8-S10 VanDerWaalsContact O-N 3.14Å; S10-G12 PolarHBondContact O-N 3.09Å
11	P	41.3	Very low	41.3	Very low	97 Å²	97	102.1 Å²	102.1	63%	0.63	64%	0.638	S	S	*	*			trans	-74	98.2	161.2	-0.3	22.2	0	0	0	103.5	S9	S9-P11 WeakPolarHBondContact O-CD 3.27Å
12	G	30.5	Very low	42.2	Very low	50 Å²	50	92.6 Å²	92.6	52%	0.515	59%	0.587	S	S	.	*			trans	-48.5	152.7	158	0	0	0	0	0	108.4	S10 S14	S10-G12 PolarHBondContact O-N 3.09Å; G12-S14 VanDerWaalsContact C-N 3.28Å; G12-S14 PolarHBondContact O-N 3.35Å
13	P	41.2	Very low	43.3	Very low	125 Å²	125	89 Å²	89	81%	0.812	55%	0.551	S	S	*	*			trans	-62	89.9	-165.4	27	-34.2	0	0	0	110.2	T15	P13-T15 PolarHBondContact O-N 3.41Å
14	S	37.9	Very low	44.1	Very low	70 Å²	70	91 Å²	91	49%	0.49	54%	0.541	S	S	.	.			trans	-67.9	96.3	161.3	39.5	0	0	0	0	104.4	G12 S16	G12-S14 VanDerWaalsContact C-N 3.28Å; G12-S14 PolarHBondContact O-N 3.35Å; S14-S16 PolarHBondContact O-N 3.38Å
15	T	40.8	Very low	44.9	Very low	129 Å²	129	88.8 Å²	88.8	79%	0.791	53%	0.526	S	S	*	.			trans	-63.1	69.3	165.5	38	0	0	0	0	109.2	P13 K17	P13-T15 PolarHBondContact O-N 3.41Å; T15-K17 PolarHBondContact O-N 3.32Å
16	S	43.4	Very low	46.5	Very low	48 Å²	48	84.7 Å²	84.7	34%	0.336	50%	0.502	S	S	.	.			trans	-75.9	107.2	152.5	55.3	0	0	0	0	105.5	S14 G18 E34	S14-S16 PolarHBondContact O-N 3.38Å; S16-G18 PolarHBondContact O-N 3.31Å; S16-E34 PolarHBondContact OG-OE1 3.45Å
17	K	45.9	Very low	47.9	Very low	212 Å²	212	78.1 Å²	78.1	92%	0.922	49%	0.489	S	S	*	.			trans	-68	70.8	177.2	-70.6	-176.1	175.5	-179.9	0	109.5	T15	T15-K17 PolarHBondContact O-N 3.32Å
18	G	46.3	Very low	49.4	Very low	24 Å²	24	78.9 Å²	78.9	25%	0.247	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-99	152.5	165	0	0	0	0	0	110.2	S16	S16-G18 PolarHBondContact O-N 3.31Å
19	P	55.7	Low	51.1	Low	58 Å²	58	75.7 Å²	75.7	38%	0.377	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-57.7	148.4	174.3	24	-31.9	0	0	0	110.9	A21 E50	P19-A21 PolarHBondContact O-N 2.96Å; P19-E50 HydrophobicContact CG-CB 4.47Å
20	P	54.3	Low	53	Low	48 Å²	48	72.6 Å²	72.6	31%	0.312	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-58.1	136.2	177.1	23.5	-30.6	0	0	0	109.9	F30 S51	P20-F30 WeakPolarHBondContact CA-O 3.42Å; P20-S51 WeakPolarHBondContact CG-O 3.03Å; P20-S51 WeakPolarHBondContact O-CA 3.3Å; P20-S51 VanDerWaalsContact O-CB 3.3Å; P20-S51 WeakPolarHBondContact O-CB 3.38Å; P20-S51 PolarHBondContact O-N 2.92Å; P20-S51 VanDerWaalsContact O-O 3.11Å
21	A	58.6	Low	54.6	Low	0 Å²	0	73 Å²	73	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.9	-180	0	0	0	0	0	110.3	P19 F30 P33 A36	P19-A21 PolarHBondContact O-N 2.96Å; A21-F30 PolarHBondContact N-O 3.33Å; A21-F30 PolarHBondContact O-N 2.99Å; A21-P33 HydrophobicContact CB-CB 4.04Å; A21-A36 HydrophobicContact CB-CB 3.79Å
22	V	59.3	Low	56	Low	22 Å²	22	69.1 Å²	69.1	13%	0.133	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.4	179.1	-172.2	0	0	0	0	109.1	T29 F48 S49 S51	V22-T29 HydrophobicContact CG1-CG2 4.16Å; V22-T29 HydrophobicContact CG2-CG2 3.68Å; V22-F48 WeakPolarHBondContact O-CA 3.34Å; V22-S49 PolarHBondContact N-O 3.41Å; V22-S49 PolarHBondContact O-N 3.41Å; V22-S51 WeakPolarHBondContact CG2-OG 3.42Å
23	I	60.5	Low	58.1	Low	0 Å²	0	68.5 Å²	68.5	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111.6	170.8	-59.4	169.6	0	0	0	107.5	S25 C26 G27 K28 F30 A36 H39 A40 H45 F48	I23-S25 VanDerWaalsContact C-N 3.26Å; I23-S25 WeakPolarHBondContact CG2-OG 3.45Å; I23-S25 PolarHBondContact O-N 2.98Å; I23-C26 PolarHBondContact O-N 2.97Å; I23-G27 PolarHBondContact O-N 3.25Å; I23-K28 PolarHBondContact N-O 3.08Å; I23-F30 HydrophobicContact CD1-CD2 4.12Å; I23-F30 HydrophobicContact CD1-CE2 3.5Å; I23-F30 VanDerWaalsContact CD1-CE2 3.5Å; I23-F30 HydrophobicContact CD1-CZ 4.32Å; I23-F30 HydrophobicContact CG1-CD2 4.4Å; I23-F30 HydrophobicContact CG1-CE2 4.13Å; I23-A36 HydrophobicContact CD1-CB 4.29Å; I23-A36 VanDerWaalsContact CD1-O 3.22Å; I23-A36 WeakPolarHBondContact CD1-O 2.95Å; I23-A36 HydrophobicContact CG1-CB 4.09Å; I23-H39 HydrophobicContact CD1-CB 3.82Å; I23-H39 VanDerWaalsContact CD1-CD2 3.49Å; I23-H39 WeakPolarHBondContact CD1-CD2 3.43Å; I23-A40 HydrophobicContact CD1-CB 4.02Å; I23-H45 HydrophobicContact CG2-CB 3.84Å; I23-F48 HydrophobicContact CG1-CB 4.4Å
24	F	56.7	Low	59.7	Low	139 Å²	139	67.3 Å²	67.3	61%	0.61	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.9	-174.7	-73.3	-73.4	0	0	0	113.6	C26 N47 S49	F24-C26 PolarHBondContact O-N 2.86Å; F24-N47 HydrophobicContact CD2-CB 4.38Å; F24-N47 PolarHBondContact N-O 3.41Å; F24-S49 WeakPolarHBondContact CE2-OG 3.44Å; F24-S49 WeakPolarHBondContact CZ-OG 3.36Å
25	S	57.3	Low	61.3	Low	66 Å²	66	68.5 Å²	68.5	46%	0.462	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.8	-174.2	52	0	0	0	0	114.2	I23 H45	I23-S25 VanDerWaalsContact C-N 3.26Å; I23-S25 WeakPolarHBondContact CG2-OG 3.45Å; I23-S25 PolarHBondContact O-N 2.98Å; S25-H45 WeakPolarHBondContact OG-CB 3.21Å; S25-H45 PolarHBondContact OG-CD2 2.99Å; S25-H45 PolarHBondContact OG-ND1 3.33Å
26	C	69.7	Low	62.9	Low	41 Å²	41	62.3 Å²	62.3	28%	0.277	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-8.7	175.4	69.4	0	0	0	0	114.1	I23 F24 K28	I23-C26 PolarHBondContact O-N 2.97Å; F24-C26 PolarHBondContact O-N 2.86Å; C26-K28 HydrophobicContact CB-CG 4.49Å; C26-K28 PolarHBondContact O-N 2.96Å
27	G	65.9	Low	64.4	Low	55 Å²	55	63 Å²	63	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	9.2	179.5	0	0	0	0	0	114.4	I23	I23-G27 PolarHBondContact O-N 3.25Å
28	K	69	Low	66.1	Low	110 Å²	110	57.4 Å²	57.4	48%	0.478	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.3	180	-65.8	-179.5	-177.7	174.6	0	110	I23 C26 F30	I23-K28 PolarHBondContact N-O 3.08Å; C26-K28 HydrophobicContact CB-CG 4.49Å; C26-K28 PolarHBondContact O-N 2.96Å; K28-F30 HydrophobicContact CB-CD2 4.49Å; K28-F30 HydrophobicContact CB-CE2 3.63Å; K28-F30 HydrophobicContact CB-CZ 3.83Å; K28-F30 HydrophobicContact CD-CZ 4.32Å
29	T	69.1	Low	67.5	Low	108 Å²	108	57.8 Å²	57.8	66%	0.663	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.9	172.9	60.2	0	0	0	0	109.1	V22	V22-T29 HydrophobicContact CG1-CG2 4.16Å; V22-T29 HydrophobicContact CG2-CG2 3.68Å
30	F	73.9	Confident	68.6	Low	35 Å²	35	55.5 Å²	55.5	15%	0.154	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.8	176.5	-64.1	-86.7	0	0	0	109.8	P20 A21 I23 K28 S32 M35 A36 H39	P20-F30 WeakPolarHBondContact CA-O 3.42Å; A21-F30 PolarHBondContact N-O 3.33Å; A21-F30 PolarHBondContact O-N 2.99Å; I23-F30 HydrophobicContact CD1-CD2 4.12Å; I23-F30 HydrophobicContact CD1-CE2 3.5Å; I23-F30 VanDerWaalsContact CD1-CE2 3.5Å; I23-F30 HydrophobicContact CD1-CZ 4.32Å; I23-F30 HydrophobicContact CG1-CD2 4.4Å; I23-F30 HydrophobicContact CG1-CE2 4.13Å; K28-F30 HydrophobicContact CB-CD2 4.49Å; K28-F30 HydrophobicContact CB-CE2 3.63Å; K28-F30 HydrophobicContact CB-CZ 3.83Å; K28-F30 HydrophobicContact CD-CZ 4.32Å; F30-S32 PolarHBondContact O-N 2.85Å; F30-M35 HydrophobicContact CB-CB 4.01Å; F30-M35 HydrophobicContact CD1-CB 3.85Å; F30-M35 HydrophobicContact CG-CB 4.2Å; F30-A36 HydrophobicContact CB-CB 4.05Å; F30-A36 HydrophobicContact CD2-CB 3.68Å; F30-A36 HydrophobicContact CG-CB 4.07Å; F30-H39 HydrophobicContact CE1-CB 3.99Å; F30-H39 HydrophobicContact CE2-CB 3.93Å; F30-H39 HydrophobicContact CZ-CB 3.41Å; F30-H39 VanDerWaalsContact CZ-CB 3.41Å; F30-H39 AromaticContact CZ-CD2 3.81Å; F30-H39 AromaticContact CZ-CG 3.39Å; F30-H39 AromaticContact CZ-ND1 3.88Å
31	A	70.1	Confident	69.8	Low	96 Å²	96	57 Å²	57	79%	0.793	35%	0.348	S	S	*	.	S	Bend	trans	-64.1	-26.2	179.3	0	0	0	0	0	112.7
32	S	69.5	Low	70.9	Confident	16 Å²	16	67.5 Å²	67.5	11%	0.112	39%	0.388	C	S	.	.	S	Bend	trans	-132.5	151.4	177	72.2	0	0	0	0	111.5	F30 E34 M35 A36	F30-S32 PolarHBondContact O-N 2.85Å; S32-E34 PolarHBondContact O-N 3.5Å; S32-M35 PolarHBondContact O-N 3.23Å; S32-M35 WeakPolarHBondContact OG-CG 3.19Å; S32-M35 PolarHBondContact OG-N 3.43Å; S32-A36 PolarHBondContact O-N 2.91Å
33	P	74.3	Confident	71.9	Confident	36 Å²	36	70 Å²	70	23%	0.234	40%	0.403	C	S	.	.	H	α-helix	trans	-63.8	-29.7	175.7	25.9	-33.7	0	0	0	112.7	A21 A36 S37	A21-P33 HydrophobicContact CB-CB 4.04Å; P33-A36 PolarHBondContact O-N 2.82Å; P33-S37 WeakPolarHBondContact O-CB 3.13Å; P33-S37 PolarHBondContact O-N 3.02Å
34	E	74.9	Confident	72.5	Confident	101 Å²	101	72.8 Å²	72.8	47%	0.472	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.8	-69.1	170.6	-149.5	0	0	111.9	S16 S32 A36 S37 V38	S16-E34 PolarHBondContact OG-OE1 3.45Å; S32-E34 PolarHBondContact O-N 3.5Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.02Å; E34-S37 WeakPolarHBondContact O-CB 3.3Å; E34-S37 PolarHBondContact O-N 3.45Å; E34-S37 VanDerWaalsContact O-N 3.15Å; E34-V38 WeakPolarHBondContact O-CG2 3.31Å; E34-V38 PolarHBondContact O-N 2.93Å
35	M	73	Confident	73.3	Confident	94 Å²	94	68.7 Å²	68.7	46%	0.463	42%	0.415	S	S	.	.	H	α-helix	trans	-65.9	-36.9	177.7	-73.5	-68.7	-73.7	0	0	111.8	F30 S32 H39	F30-M35 HydrophobicContact CB-CB 4.01Å; F30-M35 HydrophobicContact CD1-CB 3.85Å; F30-M35 HydrophobicContact CG-CB 4.2Å; S32-M35 PolarHBondContact O-N 3.23Å; S32-M35 WeakPolarHBondContact OG-CG 3.19Å; S32-M35 PolarHBondContact OG-N 3.43Å; M35-H39 PolarHBondContact O-N 3.4Å
36	A	73.1	Confident	73.5	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-62.9	-43.9	171.5	0	0	0	0	0	111.2	A21 I23 F30 S32 P33 E34 V38 H39 A40	A21-A36 HydrophobicContact CB-CB 3.79Å; I23-A36 HydrophobicContact CD1-CB 4.29Å; I23-A36 VanDerWaalsContact CD1-O 3.22Å; I23-A36 WeakPolarHBondContact CD1-O 2.95Å; I23-A36 HydrophobicContact CG1-CB 4.09Å; F30-A36 HydrophobicContact CB-CB 4.05Å; F30-A36 HydrophobicContact CD2-CB 3.68Å; F30-A36 HydrophobicContact CG-CB 4.07Å; S32-A36 PolarHBondContact O-N 2.91Å; P33-A36 PolarHBondContact O-N 2.82Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.02Å; A36-V38 PolarHBondContact O-N 2.75Å; A36-H39 PolarHBondContact O-N 2.96Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.49Å
37	S	75	Confident	73.1	Confident	63 Å²	63	74.8 Å²	74.8	44%	0.441	44%	0.443	S	S	.	.	H	α-helix	trans	-60	-44.7	177.3	-172.8	0	0	0	0	112.4	P33 E34 H39 A40 A41	P33-S37 WeakPolarHBondContact O-CB 3.13Å; P33-S37 PolarHBondContact O-N 3.02Å; E34-S37 WeakPolarHBondContact O-CB 3.3Å; E34-S37 PolarHBondContact O-N 3.45Å; E34-S37 VanDerWaalsContact O-N 3.15Å; S37-H39 PolarHBondContact O-N 3.24Å; S37-A40 PolarHBondContact O-N 3.38Å; S37-A41 WeakPolarHBondContact O-CB 3.21Å; S37-A41 PolarHBondContact O-N 3.32Å
38	V	81.1	Confident	72.9	Confident	93 Å²	93	77.4 Å²	77.4	56%	0.564	44%	0.439	S	S	*	.	H	α-helix	trans	-65.3	-40.7	177.5	175.5	0	0	0	0	111.8	E34 A36 A41 R42	E34-V38 WeakPolarHBondContact O-CG2 3.31Å; E34-V38 PolarHBondContact O-N 2.93Å; A36-V38 PolarHBondContact O-N 2.75Å; V38-A41 PolarHBondContact O-N 3.36Å; V38-R42 WeakPolarHBondContact O-CB 3.45Å; V38-R42 PolarHBondContact O-N 3.5Å
39	H	77.1	Confident	72.4	Confident	33 Å²	33	73.9 Å²	73.9	15%	0.153	43%	0.429	C	S	.	.	H	α-helix	trans	-67.2	-42.9	176.1	-173.5	80.5	0	0	0	112.1	I23 F30 M35 A36 S37 A41 R42 V43	I23-H39 HydrophobicContact CD1-CB 3.82Å; I23-H39 VanDerWaalsContact CD1-CD2 3.49Å; I23-H39 WeakPolarHBondContact CD1-CD2 3.43Å; F30-H39 HydrophobicContact CE1-CB 3.99Å; F30-H39 HydrophobicContact CE2-CB 3.93Å; F30-H39 HydrophobicContact CZ-CB 3.41Å; F30-H39 VanDerWaalsContact CZ-CB 3.41Å; F30-H39 AromaticContact CZ-CD2 3.81Å; F30-H39 AromaticContact CZ-CG 3.39Å; F30-H39 AromaticContact CZ-ND1 3.88Å; M35-H39 PolarHBondContact O-N 3.4Å; A36-H39 PolarHBondContact O-N 2.96Å; S37-H39 PolarHBondContact O-N 3.24Å; H39-A41 VanDerWaalsContact C-N 3.31Å; H39-A41 PolarHBondContact O-N 2.84Å; H39-R42 PolarHBondContact O-N 2.81Å; H39-V43 WeakPolarHBondContact O-CG2 3.38Å; H39-V43 PolarHBondContact O-N 3.31Å
40	A	78	Confident	71.7	Confident	9 Å²	9	74.8 Å²	74.8	7%	0.074	43%	0.425	C	S	.	.	H	α-helix	trans	-56.8	-46.4	175	0	0	0	0	0	110.8	I23 A36 S37 G44 H45	I23-A40 HydrophobicContact CD1-CB 4.02Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.49Å; S37-A40 PolarHBondContact O-N 3.38Å; A40-G44 CarbonylContact O-C 3.58Å; A40-G44 WeakPolarHBondContact O-CA 3.45Å; A40-G44 PolarHBondContact O-N 2.87Å; A40-H45 WeakPolarHBondContact CB-O 3.33Å; A40-H45 PolarHBondContact O-N 3.46Å
41	A	79	Confident	70.6	Confident	81 Å²	81	74.8 Å²	74.8	67%	0.669	43%	0.43	S	S	*	.	H	α-helix	trans	-64.3	-40.3	175.6	0	0	0	0	0	113.2	S37 V38 H39	S37-A41 WeakPolarHBondContact O-CB 3.21Å; S37-A41 PolarHBondContact O-N 3.32Å; V38-A41 PolarHBondContact O-N 3.36Å; H39-A41 VanDerWaalsContact C-N 3.31Å; H39-A41 PolarHBondContact O-N 2.84Å
42	R	82.9	Confident	69.7	Low	219 Å²	219	76.5 Å²	76.5	83%	0.826	43%	0.431	S	S	*	.	H	α-helix	trans	-72.2	-33.9	-178.3	-175.3	178	-95.8	-177.5	-5.4	113.2	V38 H39	V38-R42 WeakPolarHBondContact O-CB 3.45Å; V38-R42 PolarHBondContact O-N 3.5Å; H39-R42 PolarHBondContact O-N 2.81Å
43	V	80	Confident	69	Low	75 Å²	75	83.4 Å²	83.4	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-99.6	-10.4	-177.2	-171.6	0	0	0	0	112.3	H39 H45	H39-V43 WeakPolarHBondContact O-CG2 3.38Å; H39-V43 PolarHBondContact O-N 3.31Å; V43-H45 VanDerWaalsContact CG1-NE2 3.29Å; V43-H45 WeakPolarHBondContact CG1-NE2 3.32Å
44	G	72.2	Confident	67.7	Low	59 Å²	59	86.2 Å²	86.2	61%	0.608	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	36	-179.6	0	0	0	0	0	113.2	A40	A40-G44 CarbonylContact O-C 3.58Å; A40-G44 WeakPolarHBondContact O-CA 3.45Å; A40-G44 PolarHBondContact O-N 2.87Å
45	H	74.4	Confident	66.7	Low	53 Å²	53	85.7 Å²	85.7	25%	0.245	50%	0.5	C	S	.	.			trans	-98.3	133.9	176.6	-69.1	-39	0	0	0	110.8	I23 S25 A40 V43	I23-H45 HydrophobicContact CG2-CB 3.84Å; S25-H45 WeakPolarHBondContact OG-CB 3.21Å; S25-H45 PolarHBondContact OG-CD2 2.99Å; S25-H45 PolarHBondContact OG-ND1 3.33Å; A40-H45 WeakPolarHBondContact CB-O 3.33Å; A40-H45 PolarHBondContact O-N 3.46Å; V43-H45 VanDerWaalsContact CG1-NE2 3.29Å; V43-H45 WeakPolarHBondContact CG1-NE2 3.32Å
46	V	61.2	Low	66	Low	125 Å²	125	90.5 Å²	90.5	76%	0.758	52%	0.519	S	S	*	.			trans	-98.8	-22.9	-171.6	-174.5	0	0	0	0	113.1
47	N	62	Low	65.1	Low	109 Å²	109	97.3 Å²	97.3	58%	0.583	56%	0.56	S	S	*	*			trans	-107.2	108	-171.8	-66.5	-10.8	0	0	0	112.1	F24	F24-N47 HydrophobicContact CD2-CB 4.38Å; F24-N47 PolarHBondContact N-O 3.41Å
48	F	60.6	Low	64.2	Low	110 Å²	110	97.8 Å²	97.8	48%	0.482	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	136.8	164.2	67.1	-86.2	0	0	0	109.4	V22 I23	V22-F48 WeakPolarHBondContact O-CA 3.34Å; I23-F48 HydrophobicContact CG1-CB 4.4Å
49	S	58.4	Low	63.6	Low	37 Å²	37	97.2 Å²	97.2	26%	0.259	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.7	144.2	163.6	63.3	0	0	0	0	110.6	V22 F24 S51	V22-S49 PolarHBondContact N-O 3.41Å; V22-S49 PolarHBondContact O-N 3.41Å; F24-S49 WeakPolarHBondContact CE2-OG 3.44Å; F24-S49 WeakPolarHBondContact CZ-OG 3.36Å; S49-S51 PolarHBondContact O-N 3.05Å
50	E	55.2	Low	63.3	Low	126 Å²	126	100.7 Å²	100.7	59%	0.589	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.1	119.1	164.8	-61.7	-179.4	173.8	0	0	108.9	P19	P19-E50 HydrophobicContact CG-CB 4.47Å
51	S	51.2	Low	63	Low	36 Å²	36	108.2 Å²	108.2	25%	0.252	61%	0.613	S	S	.	*			trans	-87.5	118.5	172.3	-120.1	0	0	0	0	108.7	P20 V22 S49 E53	P20-S51 WeakPolarHBondContact CG-O 3.03Å; P20-S51 WeakPolarHBondContact O-CA 3.3Å; P20-S51 VanDerWaalsContact O-CB 3.3Å; P20-S51 WeakPolarHBondContact O-CB 3.38Å; P20-S51 PolarHBondContact O-N 2.92Å; P20-S51 VanDerWaalsContact O-O 3.11Å; V22-S51 WeakPolarHBondContact CG2-OG 3.42Å; S49-S51 PolarHBondContact O-N 3.05Å; S51-E53 VanDerWaalsContact C-N 3.3Å; S51-E53 PolarHBondContact O-N 3.43Å
52	T	50.2	Low	62.8	Low	131 Å²	131	109.4 Å²	109.4	80%	0.804	61%	0.605	S	S	*	*			trans	-87.1	12.9	-178.8	38.9	0	0	0	0	114	A54	T52-A54 PolarHBondContact O-N 2.95Å
53	E	54.9	Low	62.6	Low	162 Å²	162	101.2 Å²	101.2	76%	0.757	58%	0.584	S	S	*	*			trans	-76	98.7	176.7	-69.2	-167.7	169.1	0	0	110.9	S51 A55	S51-E53 VanDerWaalsContact C-N 3.3Å; S51-E53 PolarHBondContact O-N 3.43Å; E53-A55 PolarHBondContact O-N 2.98Å
54	A	48.6	Very low	62.5	Low	95 Å²	95	104.6 Å²	104.6	79%	0.785	59%	0.593	S	S	*	*			trans	-53.3	107	173.1	0	0	0	0	0	110.4	T52 K56	T52-A54 PolarHBondContact O-N 2.95Å; A54-K56 PolarHBondContact O-N 2.64Å
55	A	53.5	Low	62.8	Low	90 Å²	90	108 Å²	108	74%	0.744	59%	0.593	S	S	*	*			trans	-57.3	109.2	179.6	0	0	0	0	0	110.3	E53 V57	E53-A55 PolarHBondContact O-N 2.98Å; A55-V57 PolarHBondContact O-N 2.95Å; A55-V57 VanDerWaalsContact O-N 3.08Å
56	K	57	Low	63	Low	195 Å²	195	111.7 Å²	111.7	85%	0.848	60%	0.604	S	S	*	*			trans	-57.6	115.2	165.2	-81	174.5	178.2	174.4	0	107.4	A54 L58	A54-K56 PolarHBondContact O-N 2.64Å; K56-L58 PolarHBondContact O-N 2.76Å
57	V	53.8	Low	64	Low	142 Å²	142	111.9 Å²	111.9	86%	0.861	60%	0.597	S	S	*	*			trans	-60.1	103.7	174.3	179.9	0	0	0	0	107.3	A55	A55-V57 PolarHBondContact O-N 2.95Å; A55-V57 VanDerWaalsContact O-N 3.08Å
58	L	57.8	Low	65	Low	74 Å²	74	114 Å²	114	39%	0.387	60%	0.601	S	S	.	*			trans	-59	138.4	174.2	-111.5	82	0	0	0	109.2	K56 E62	K56-L58 PolarHBondContact O-N 2.76Å; L58-E62 HydrophobicContact CD2-CB 4.04Å
59	T	67.8	Low	66.2	Low	81 Å²	81	114 Å²	114	50%	0.497	60%	0.603	S	S	.	*			trans	-64.4	150.4	177.5	53.9	0	0	0	0	110.9	E61 E62 A63	T59-E61 PolarHBondContact O-N 2.82Å; T59-E62 PolarHBondContact O-N 3.35Å; T59-A63 PolarHBondContact O-N 2.78Å
60	P	71	Confident	67.4	Low	106 Å²	106	119.3 Å²	119.3	69%	0.688	62%	0.621	S	S	*	*	H	α-helix	trans	-63.8	-17.5	-170	24.2	-35	0	0	0	114.7
61	E	71	Confident	68.8	Low	167 Å²	167	117.6 Å²	117.6	78%	0.78	62%	0.619	S	S	*	*	H	α-helix	trans	-80.9	-42.6	179.1	-61.6	-162	158.9	0	0	112.8	T59 A63 K64	T59-E61 PolarHBondContact O-N 2.82Å; E61-A63 VanDerWaalsContact C-N 3.27Å; E61-A63 PolarHBondContact O-N 3.31Å; E61-K64 PolarHBondContact O-N 3.29Å
62	E	76.4	Confident	70.4	Confident	106 Å²	106	121.1 Å²	121.1	50%	0.495	64%	0.635	S	S	.	*	H	α-helix	trans	-67.4	-30.3	177.3	-65.1	-176.9	176.6	0	0	112.2	L58 T59 K64 Q65 R66	L58-E62 HydrophobicContact CD2-CB 4.04Å; T59-E62 PolarHBondContact O-N 3.35Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.24Å; E62-Q65 PolarHBondContact O-N 3.17Å; E62-R66 PolarHBondContact O-N 2.9Å; E62-R66 VanDerWaalsContact O-N 3.09Å
63	A	76.9	Confident	72.1	Confident	47 Å²	47	117.5 Å²	117.5	39%	0.388	62%	0.618	S	S	.	*	H	α-helix	trans	-61.1	-39.3	177.6	0	0	0	0	0	112.5	T59 E61 Q67	T59-A63 PolarHBondContact O-N 2.78Å; E61-A63 VanDerWaalsContact C-N 3.27Å; E61-A63 PolarHBondContact O-N 3.31Å; A63-Q67 WeakPolarHBondContact O-CB 3.49Å; A63-Q67 PolarHBondContact O-N 3.3Å
64	K	77.9	Confident	73.5	Confident	146 Å²	146	116.7 Å²	116.7	64%	0.635	61%	0.609	S	S	*	*	H	α-helix	trans	-69.1	-38.5	180	-71.1	-179.6	-177	173.7	0	112.4	E61 E62 Q67 K68	E61-K64 PolarHBondContact O-N 3.29Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.24Å; K64-Q67 PolarHBondContact O-N 3.42Å; K64-K68 PolarHBondContact O-N 2.85Å
65	Q	79.6	Confident	75.2	Confident	131 Å²	131	119 Å²	119	61%	0.612	60%	0.603	S	S	*	*	H	α-helix	trans	-69.2	-44.8	178.4	-172.5	161.3	-11.2	0	0	111.1	E62 Q67 K68 E69	E62-Q65 PolarHBondContact O-N 3.17Å; Q65-Q67 VanDerWaalsContact C-N 3.28Å; Q65-Q67 PolarHBondContact O-N 3.37Å; Q65-K68 PolarHBondContact O-N 2.82Å; Q65-E69 PolarHBondContact O-N 3Å; Q65-E69 VanDerWaalsContact O-N 3.11Å
66	R	79.4	Confident	76.6	Confident	129 Å²	129	120.4 Å²	120.4	49%	0.487	60%	0.597	S	S	.	*	H	α-helix	trans	-58.5	-40.1	172.6	-72.7	-169.4	-175.7	-157.6	4	112.1	E62 K68 E69 F70	E62-R66 PolarHBondContact O-N 2.9Å; E62-R66 VanDerWaalsContact O-N 3.09Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 3.28Å; R66-E69 PolarHBondContact O-N 3.26Å; R66-F70 HydrophobicContact CB-CD2 4.26Å; R66-F70 HydrophobicContact CB-CE2 4.15Å; R66-F70 WeakPolarHBondContact O-CD2 3.39Å; R66-F70 PolarHBondContact O-N 3.45Å
67	Q	81	Confident	77.9	Confident	130 Å²	130	113.8 Å²	113.8	61%	0.607	58%	0.575	S	S	*	*	H	α-helix	trans	-60.2	-42.4	177.9	-169.6	178.6	10.2	0	0	112.2	A63 K64 Q65 F70 V71	A63-Q67 WeakPolarHBondContact O-CB 3.49Å; A63-Q67 PolarHBondContact O-N 3.3Å; K64-Q67 PolarHBondContact O-N 3.42Å; Q65-Q67 VanDerWaalsContact C-N 3.28Å; Q65-Q67 PolarHBondContact O-N 3.37Å; Q67-F70 PolarHBondContact O-N 2.96Å; Q67-V71 VanDerWaalsContact O-CG2 3.27Å; Q67-V71 WeakPolarHBondContact O-CG2 3.07Å; Q67-V71 PolarHBondContact O-N 3Å
68	K	83.7	Confident	79.3	Confident	153 Å²	153	110.9 Å²	110.9	67%	0.665	55%	0.552	S	S	*	*	H	α-helix	trans	-64.1	-43	176.2	-69.6	-178.8	-178.3	-179.8	0	111.9	K64 Q65 R66 V71 L72	K64-K68 PolarHBondContact O-N 2.85Å; Q65-K68 PolarHBondContact O-N 2.82Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 3.28Å; K68-V71 PolarHBondContact O-N 2.77Å; K68-L72 PolarHBondContact O-N 3.08Å
69	E	84.3	Confident	80.6	Confident	111 Å²	111	108.7 Å²	108.7	52%	0.519	55%	0.547	S	S	.	.	H	α-helix	trans	-63	-42.3	176.6	-71.5	172	-167.3	0	0	111.8	Q65 R66 V71 L72 A73	Q65-E69 PolarHBondContact O-N 3Å; Q65-E69 VanDerWaalsContact O-N 3.11Å; R66-E69 PolarHBondContact O-N 3.26Å; E69-V71 PolarHBondContact O-N 3.19Å; E69-L72 PolarHBondContact O-N 3.32Å; E69-A73 WeakPolarHBondContact O-CB 3.47Å; E69-A73 PolarHBondContact O-N 3.17Å
70	F	83.5	Confident	81.5	Confident	147 Å²	147	107.3 Å²	107.3	65%	0.645	54%	0.544	S	S	*	.	H	α-helix	trans	-62.5	-41.7	174.3	-80.9	-63.7	0	0	0	112.3	R66 Q67 A73 Y74	R66-F70 HydrophobicContact CB-CD2 4.26Å; R66-F70 HydrophobicContact CB-CE2 4.15Å; R66-F70 WeakPolarHBondContact O-CD2 3.39Å; R66-F70 PolarHBondContact O-N 3.45Å; Q67-F70 PolarHBondContact O-N 2.96Å; F70-A73 PolarHBondContact O-N 2.96Å; F70-Y74 WeakPolarHBondContact O-CB 2.91Å; F70-Y74 PolarHBondContact O-N 3.37Å
71	V	84.9	Confident	82.2	Confident	90 Å²	90	106.1 Å²	106.1	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-42.7	176.6	171.6	0	0	0	0	111	Q67 K68 E69 Y74 H75	Q67-V71 VanDerWaalsContact O-CG2 3.27Å; Q67-V71 WeakPolarHBondContact O-CG2 3.07Å; Q67-V71 PolarHBondContact O-N 3Å; K68-V71 PolarHBondContact O-N 2.77Å; E69-V71 PolarHBondContact O-N 3.19Å; V71-Y74 PolarHBondContact O-N 2.91Å; V71-H75 WeakPolarHBondContact O-CB 3.22Å; V71-H75 PolarHBondContact O-N 3.14Å
72	L	86.2	Confident	83.2	Confident	111 Å²	111	103.8 Å²	103.8	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-64.5	-48.1	176.1	-78.7	166.4	0	0	0	112	K68 E69 Y74 H75 I76	K68-L72 PolarHBondContact O-N 3.08Å; E69-L72 PolarHBondContact O-N 3.32Å; L72-Y74 VanDerWaalsContact C-N 3.29Å; L72-Y74 PolarHBondContact O-N 3.06Å; L72-H75 PolarHBondContact O-N 3.3Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.48Å; L72-I76 PolarHBondContact O-N 2.84Å
73	A	84.4	Confident	83.7	Confident	55 Å²	55	101.5 Å²	101.5	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-37.3	177.1	0	0	0	0	0	111.9	E69 F70 S77	E69-A73 WeakPolarHBondContact O-CB 3.47Å; E69-A73 PolarHBondContact O-N 3.17Å; F70-A73 PolarHBondContact O-N 2.96Å; A73-S77 VanDerWaalsContact O-CB 3.31Å; A73-S77 WeakPolarHBondContact O-CB 3.39Å; A73-S77 PolarHBondContact O-N 3.15Å; A73-S77 PolarHBondContact O-OG 3.46Å
74	Y	85.6	Confident	84.4	Confident	144 Å²	144	107.3 Å²	107.3	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-62.9	-48.4	173.4	-176.3	-88.4	0	0	0	110.9	F70 V71 L72 I76 S77 H78	F70-Y74 WeakPolarHBondContact O-CB 2.91Å; F70-Y74 PolarHBondContact O-N 3.37Å; V71-Y74 PolarHBondContact O-N 2.91Å; L72-Y74 VanDerWaalsContact C-N 3.29Å; L72-Y74 PolarHBondContact O-N 3.06Å; Y74-I76 PolarHBondContact O-N 3.34Å; Y74-S77 PolarHBondContact O-N 2.89Å; Y74-S77 PolarHBondContact O-OG 3.42Å; Y74-S77 VanDerWaalsContact O-OG 3.05Å; Y74-H78 AromaticContact CD1-ND1 3.85Å; Y74-H78 AromaticContact CD2-CE1 3.21Å; Y74-H78 WeakPolarHBondContact CD2-CE1 3.07Å; Y74-H78 AromaticContact CD2-ND1 3.43Å; Y74-H78 WeakPolarHBondContact CD2-ND1 3.03Å; Y74-H78 AromaticContact CD2-NE2 3.94Å; Y74-H78 HydrophobicContact CE1-CB 4.32Å; Y74-H78 AromaticContact CE1-CD2 3.94Å; Y74-H78 AromaticContact CE1-CG 3.74Å; Y74-H78 AromaticContact CE1-ND1 3.85Å; Y74-H78 AromaticContact CE2-CD2 3.81Å; Y74-H78 AromaticContact CE2-CE1 2.95Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.44Å; Y74-H78 AromaticContact CE2-CG 3.97Å; Y74-H78 AromaticContact CE2-ND1 3.45Å; Y74-H78 WeakPolarHBondContact CE2-ND1 3.38Å; Y74-H78 AromaticContact CE2-NE2 3.19Å; Y74-H78 WeakPolarHBondContact CE2-NE2 3.2Å; Y74-H78 AromaticContact CG-CE1 3.91Å; Y74-H78 AromaticContact CG-ND1 3.62Å; Y74-H78 AromaticContact CZ-CD2 3.44Å; Y74-H78 VanDerWaalsContact CZ-CD2 3.44Å; Y74-H78 AromaticContact CZ-CE1 3.44Å; Y74-H78 VanDerWaalsContact CZ-CE1 3.44Å; Y74-H78 AromaticContact CZ-CG 3.66Å; Y74-H78 AromaticContact CZ-ND1 3.64Å; Y74-H78 AromaticContact CZ-NE2 3.31Å; Y74-H78 VanDerWaalsContact CZ-NE2 3.31Å; Y74-H78 WeakPolarHBondContact O-CB 3.49Å; Y74-H78 PolarHBondContact O-N 2.94Å; Y74-H78 PolarHBondContact O-ND1 3.43Å; Y74-H78 PolarHBondContact OH-CD2 2.87Å; Y74-H78 PolarHBondContact OH-NE2 3.46Å
75	H	83.5	Confident	85.2	Confident	144 Å²	144	106 Å²	106	67%	0.667	52%	0.524	S	S	*	.	H	α-helix	trans	-65.1	-37.8	179.7	-164	-70.4	0	0	0	112.6	V71 L72 G79	V71-H75 WeakPolarHBondContact O-CB 3.22Å; V71-H75 PolarHBondContact O-N 3.14Å; L72-H75 PolarHBondContact O-N 3.3Å; H75-G79 WeakPolarHBondContact O-CA 3.4Å; H75-G79 PolarHBondContact O-N 3.06Å
76	I	83.5	Confident	85.9	Confident	120 Å²	120	104.5 Å²	104.5	62%	0.615	52%	0.517	S	S	*	.	H	α-helix	trans	-67.6	-48.8	176.4	-66.5	165	0	0	0	110.5	L72 Y74 G79 A80	L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.48Å; L72-I76 PolarHBondContact O-N 2.84Å; Y74-I76 PolarHBondContact O-N 3.34Å; I76-G79 PolarHBondContact O-N 3.04Å; I76-A80 WeakPolarHBondContact O-CB 3.34Å; I76-A80 PolarHBondContact O-N 3.49Å
77	S	83.4	Confident	86.7	Confident	55 Å²	55	106.3 Å²	106.3	39%	0.385	52%	0.524	S	S	.	.	H	α-helix	trans	-67.3	-44.1	-178.7	57.2	0	0	0	0	112.3	A73 Y74 A80 T81	A73-S77 VanDerWaalsContact O-CB 3.31Å; A73-S77 WeakPolarHBondContact O-CB 3.39Å; A73-S77 PolarHBondContact O-N 3.15Å; A73-S77 PolarHBondContact O-OG 3.46Å; Y74-S77 PolarHBondContact O-N 2.89Å; Y74-S77 PolarHBondContact O-OG 3.42Å; Y74-S77 VanDerWaalsContact O-OG 3.05Å; S77-A80 PolarHBondContact O-N 3.47Å; S77-T81 WeakPolarHBondContact O-CG2 3.45Å; S77-T81 PolarHBondContact O-N 3.42Å; S77-T81 PolarHBondContact O-OG1 3.24Å
78	H	83.4	Confident	87.4	Confident	81 Å²	81	104.7 Å²	104.7	38%	0.375	52%	0.518	S	S	.	.	H	α-helix	trans	-71.7	-34.4	177.5	-71.2	65.4	0	0	0	111.7	Y74 A80 T81 F82	Y74-H78 AromaticContact CD1-ND1 3.85Å; Y74-H78 AromaticContact CD2-CE1 3.21Å; Y74-H78 WeakPolarHBondContact CD2-CE1 3.07Å; Y74-H78 AromaticContact CD2-ND1 3.43Å; Y74-H78 WeakPolarHBondContact CD2-ND1 3.03Å; Y74-H78 AromaticContact CD2-NE2 3.94Å; Y74-H78 HydrophobicContact CE1-CB 4.32Å; Y74-H78 AromaticContact CE1-CD2 3.94Å; Y74-H78 AromaticContact CE1-CG 3.74Å; Y74-H78 AromaticContact CE1-ND1 3.85Å; Y74-H78 AromaticContact CE2-CD2 3.81Å; Y74-H78 AromaticContact CE2-CE1 2.95Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.44Å; Y74-H78 AromaticContact CE2-CG 3.97Å; Y74-H78 AromaticContact CE2-ND1 3.45Å; Y74-H78 WeakPolarHBondContact CE2-ND1 3.38Å; Y74-H78 AromaticContact CE2-NE2 3.19Å; Y74-H78 WeakPolarHBondContact CE2-NE2 3.2Å; Y74-H78 AromaticContact CG-CE1 3.91Å; Y74-H78 AromaticContact CG-ND1 3.62Å; Y74-H78 AromaticContact CZ-CD2 3.44Å; Y74-H78 VanDerWaalsContact CZ-CD2 3.44Å; Y74-H78 AromaticContact CZ-CE1 3.44Å; Y74-H78 VanDerWaalsContact CZ-CE1 3.44Å; Y74-H78 AromaticContact CZ-CG 3.66Å; Y74-H78 AromaticContact CZ-ND1 3.64Å; Y74-H78 AromaticContact CZ-NE2 3.31Å; Y74-H78 VanDerWaalsContact CZ-NE2 3.31Å; Y74-H78 WeakPolarHBondContact O-CB 3.49Å; Y74-H78 PolarHBondContact O-N 2.94Å; Y74-H78 PolarHBondContact O-ND1 3.43Å; Y74-H78 PolarHBondContact OH-CD2 2.87Å; Y74-H78 PolarHBondContact OH-NE2 3.46Å; H78-A80 VanDerWaalsContact C-N 3.34Å; H78-T81 WeakPolarHBondContact CA-OG1 3.46Å; H78-T81 PolarHBondContact O-N 3.17Å; H78-T81 PolarHBondContact O-OG1 3.26Å; H78-F82 WeakPolarHBondContact O-CB 3.37Å; H78-F82 PolarHBondContact O-N 3.13Å
79	G	85.1	Confident	88	Confident	28 Å²	28	101.5 Å²	101.5	29%	0.289	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-44	170.5	0	0	0	0	0	111.6	H75 I76 F82 C83	H75-G79 WeakPolarHBondContact O-CA 3.4Å; H75-G79 PolarHBondContact O-N 3.06Å; I76-G79 PolarHBondContact O-N 3.04Å; G79-F82 PolarHBondContact O-N 2.9Å; G79-C83 WeakPolarHBondContact O-CB 3.39Å; G79-C83 PolarHBondContact O-N 3.34Å; G79-C83 PolarHBondContact O-SG 3.47Å
80	A	86	Confident	88.6	Confident	52 Å²	52	101.5 Å²	101.5	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-41.6	177.4	0	0	0	0	0	112.9	I76 S77 H78 R84	I76-A80 WeakPolarHBondContact O-CB 3.34Å; I76-A80 PolarHBondContact O-N 3.49Å; S77-A80 PolarHBondContact O-N 3.47Å; H78-A80 VanDerWaalsContact C-N 3.34Å; A80-R84 WeakPolarHBondContact O-CG 3.4Å; A80-R84 PolarHBondContact O-N 2.9Å; A80-R84 VanDerWaalsContact O-N 3.08Å
81	T	87.5	Confident	89.3	Confident	82 Å²	82	99.2 Å²	99.2	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-68.8	-39.6	176	55.9	0	0	0	0	111.7	S77 H78 R84 F85	S77-T81 WeakPolarHBondContact O-CG2 3.45Å; S77-T81 PolarHBondContact O-N 3.42Å; S77-T81 PolarHBondContact O-OG1 3.24Å; H78-T81 WeakPolarHBondContact CA-OG1 3.46Å; H78-T81 PolarHBondContact O-N 3.17Å; H78-T81 PolarHBondContact O-OG1 3.26Å; T81-R84 PolarHBondContact O-N 3.35Å; T81-F85 WeakPolarHBondContact O-CB 3.43Å; T81-F85 PolarHBondContact O-N 3.29Å
82	F	90.5	Very high	89.9	Confident	117 Å²	117	99.1 Å²	99.1	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-45.9	174.9	-175.4	-103.6	0	0	0	111.7	H78 G79 R84 F85 Q86	H78-F82 WeakPolarHBondContact O-CB 3.37Å; H78-F82 PolarHBondContact O-N 3.13Å; G79-F82 PolarHBondContact O-N 2.9Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 2.91Å; F82-F85 PolarHBondContact O-N 2.95Å; F82-Q86 HydrophobicContact CD1-CG 4.25Å; F82-Q86 HydrophobicContact CE1-CG 3.93Å; F82-Q86 HydrophobicContact CE2-CG 4.49Å; F82-Q86 HydrophobicContact CZ-CG 4.06Å; F82-Q86 VanDerWaalsContact CZ-NE2 3.28Å; F82-Q86 WeakPolarHBondContact O-CG 3.38Å; F82-Q86 PolarHBondContact O-N 3.22Å
83	C	87.7	Confident	90.4	Very high	58 Å²	58	99.9 Å²	99.9	39%	0.392	49%	0.49	S	S	.	.	H	α-helix	trans	-60.1	-38	174.3	-76.3	0	0	0	0	112.7	G79 R87	G79-C83 WeakPolarHBondContact O-CB 3.39Å; G79-C83 PolarHBondContact O-N 3.34Å; G79-C83 PolarHBondContact O-SG 3.47Å; C83-R87 PolarHBondContact O-N 3.49Å; C83-R87 VanDerWaalsContact O-N 3.17Å
84	R	92	Very high	91.1	Very high	170 Å²	170	100.8 Å²	100.8	64%	0.642	49%	0.487	S	S	*	.	H	α-helix	trans	-66.1	-44.6	174.1	-74.7	178.1	-175.4	-172	1.4	111.4	A80 T81 F82 R87 I88	A80-R84 WeakPolarHBondContact O-CG 3.4Å; A80-R84 PolarHBondContact O-N 2.9Å; A80-R84 VanDerWaalsContact O-N 3.08Å; T81-R84 PolarHBondContact O-N 3.35Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 2.91Å; R84-R87 PolarHBondContact O-N 3Å; R84-I88 WeakPolarHBondContact O-CG1 3.47Å; R84-I88 PolarHBondContact O-N 2.96Å
85	F	93.1	Very high	91.6	Very high	118 Å²	118	97.7 Å²	97.7	52%	0.518	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-44.5	179.1	-174.1	-105.1	0	0	0	111.8	T81 F82 R87 I88 L89	T81-F85 WeakPolarHBondContact O-CB 3.43Å; T81-F85 PolarHBondContact O-N 3.29Å; F82-F85 PolarHBondContact O-N 2.95Å; F85-R87 PolarHBondContact O-N 3.37Å; F85-I88 PolarHBondContact O-N 3.38Å; F85-I88 VanDerWaalsContact O-N 3.17Å; F85-L89 HydrophobicContact CD1-CD1 3.81Å; F85-L89 HydrophobicContact CD1-CG 4.21Å; F85-L89 HydrophobicContact CE1-CD1 3.37Å; F85-L89 HydrophobicContact CE1-CD2 4.34Å; F85-L89 HydrophobicContact CE1-CG 3.9Å; F85-L89 HydrophobicContact CZ-CD1 3.99Å; F85-L89 HydrophobicContact CZ-CD2 4.11Å; F85-L89 HydrophobicContact CZ-CG 4.13Å; F85-L89 WeakPolarHBondContact O-CG 3.34Å; F85-L89 PolarHBondContact O-N 2.6Å
86	Q	94.7	Very high	92.3	Very high	99 Å²	99	98.4 Å²	98.4	46%	0.463	48%	0.477	S	S	.	.	H	α-helix	trans	-58.7	-44.4	175.1	-77.1	-170.4	-34.7	0	0	112.3	F82 I88 L89 E90	F82-Q86 HydrophobicContact CD1-CG 4.25Å; F82-Q86 HydrophobicContact CE1-CG 3.93Å; F82-Q86 HydrophobicContact CE2-CG 4.49Å; F82-Q86 HydrophobicContact CZ-CG 4.06Å; F82-Q86 VanDerWaalsContact CZ-NE2 3.28Å; F82-Q86 WeakPolarHBondContact O-CG 3.38Å; F82-Q86 PolarHBondContact O-N 3.22Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.32Å; Q86-L89 PolarHBondContact O-N 3.15Å; Q86-E90 WeakPolarHBondContact O-CB 3.47Å; Q86-E90 PolarHBondContact O-N 2.87Å
87	R	96	Very high	93	Very high	167 Å²	167	96.4 Å²	96.4	63%	0.63	47%	0.465	S	S	*	.	H	α-helix	trans	-61.2	-39.8	175.1	-79.1	-173	-116	149.2	-7.5	112.8	C83 R84 F85 E90 Q91	C83-R87 PolarHBondContact O-N 3.49Å; C83-R87 VanDerWaalsContact O-N 3.17Å; R84-R87 PolarHBondContact O-N 3Å; F85-R87 PolarHBondContact O-N 3.37Å; R87-E90 PolarHBondContact O-N 2.91Å; R87-Q91 WeakPolarHBondContact O-CB 3.36Å; R87-Q91 PolarHBondContact O-N 3.41Å
88	I	96.7	Very high	93.7	Very high	96 Å²	96	95.9 Å²	95.9	49%	0.492	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-45.2	176.3	-68.5	164.9	0	0	0	110.2	R84 F85 Q86 E90 Q91 I92	R84-I88 WeakPolarHBondContact O-CG1 3.47Å; R84-I88 PolarHBondContact O-N 2.96Å; F85-I88 PolarHBondContact O-N 3.38Å; F85-I88 VanDerWaalsContact O-N 3.17Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.32Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-E90 PolarHBondContact O-N 3.18Å; I88-Q91 PolarHBondContact O-N 2.85Å; I88-I92 HydrophobicContact CG2-CD1 3.84Å; I88-I92 VanDerWaalsContact O-CG1 3.26Å; I88-I92 WeakPolarHBondContact O-CG1 3.45Å; I88-I92 PolarHBondContact O-N 3.34Å
89	L	96.2	Very high	94.3	Very high	87 Å²	87	97.5 Å²	97.5	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-62.4	-41.4	177.3	-70.6	-177.7	0	0	0	112.4	F85 Q86 I92 R93	F85-L89 HydrophobicContact CD1-CD1 3.81Å; F85-L89 HydrophobicContact CD1-CG 4.21Å; F85-L89 HydrophobicContact CE1-CD1 3.37Å; F85-L89 HydrophobicContact CE1-CD2 4.34Å; F85-L89 HydrophobicContact CE1-CG 3.9Å; F85-L89 HydrophobicContact CZ-CD1 3.99Å; F85-L89 HydrophobicContact CZ-CD2 4.11Å; F85-L89 HydrophobicContact CZ-CG 4.13Å; F85-L89 WeakPolarHBondContact O-CG 3.34Å; F85-L89 PolarHBondContact O-N 2.6Å; Q86-L89 PolarHBondContact O-N 3.15Å; L89-I92 PolarHBondContact O-N 3.46Å; L89-R93 PolarHBondContact O-N 3.05Å
90	E	97	Very high	94.9	Very high	110 Å²	110	100.4 Å²	100.4	51%	0.514	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-42.6	176.6	-173.9	172.3	-155.6	0	0	111.7	Q86 R87 I88 I92 R93 L94	Q86-E90 WeakPolarHBondContact O-CB 3.47Å; Q86-E90 PolarHBondContact O-N 2.87Å; R87-E90 PolarHBondContact O-N 2.91Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-E90 PolarHBondContact O-N 3.18Å; E90-I92 PolarHBondContact O-N 2.96Å; E90-R93 WeakPolarHBondContact O-CB 3.29Å; E90-R93 PolarHBondContact O-N 3.35Å; E90-R93 VanDerWaalsContact O-N 3.15Å; E90-L94 HydrophobicContact CG-CD1 4.48Å; E90-L94 WeakPolarHBondContact O-CG 3.48Å; E90-L94 PolarHBondContact O-N 3.06Å
91	Q	97.7	Very high	95.4	Very high	100 Å²	100	102.7 Å²	102.7	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-60.3	-45.7	174.7	-171.8	61.5	47.3	0	0	111.5	R87 I88 R93 L94 D95	R87-Q91 WeakPolarHBondContact O-CB 3.36Å; R87-Q91 PolarHBondContact O-N 3.41Å; I88-Q91 PolarHBondContact O-N 2.85Å; Q91-R93 VanDerWaalsContact C-N 3.25Å; Q91-R93 PolarHBondContact O-N 2.89Å; Q91-L94 PolarHBondContact O-N 2.87Å; Q91-D95 PolarHBondContact NE2-OD1 2.96Å; Q91-D95 WeakPolarHBondContact O-CB 3.26Å; Q91-D95 VanDerWaalsContact O-CG 3.25Å; Q91-D95 PolarHBondContact O-N 3.47Å
92	I	97.5	Very high	95.9	Very high	87 Å²	87	107.5 Å²	107.5	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-59.5	-38.3	176.1	-69.3	165.3	0	0	0	111.1	I88 L89 E90 R96	I88-I92 HydrophobicContact CG2-CD1 3.84Å; I88-I92 VanDerWaalsContact O-CG1 3.26Å; I88-I92 WeakPolarHBondContact O-CG1 3.45Å; I88-I92 PolarHBondContact O-N 3.34Å; L89-I92 PolarHBondContact O-N 3.46Å; E90-I92 PolarHBondContact O-N 2.96Å; I92-R96 WeakPolarHBondContact O-CB 3.41Å; I92-R96 PolarHBondContact O-N 3.42Å; I92-R96 VanDerWaalsContact O-N 3.07Å
93	R	97.7	Very high	96.2	Very high	128 Å²	128	106.4 Å²	106.4	48%	0.483	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-49	175.7	-169.8	-173.3	76.1	89.6	-2.1	111.1	L89 E90 Q91 R96 E97	L89-R93 PolarHBondContact O-N 3.05Å; E90-R93 WeakPolarHBondContact O-CB 3.29Å; E90-R93 PolarHBondContact O-N 3.35Å; E90-R93 VanDerWaalsContact O-N 3.15Å; Q91-R93 VanDerWaalsContact C-N 3.25Å; Q91-R93 PolarHBondContact O-N 2.89Å; R93-R96 WeakPolarHBondContact O-CB 3.32Å; R93-R96 PolarHBondContact O-N 3.28Å; R93-E97 IonicContact CZ-OE1 3.58Å; R93-E97 IonicContact CZ-OE2 3.97Å; R93-E97 IonicContact NH1-OE1 2.6Å; R93-E97 PolarHBondContact NH1-OE1 3.3Å; R93-E97 IonicContact NH1-OE2 3.38Å; R93-E97 PolarHBondContact NH1-OE2 3.07Å; R93-E97 PolarHBondContact O-N 3.47Å
94	L	97.5	Very high	96.7	Very high	74 Å²	74	108.5 Å²	108.5	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-42.1	179.5	-68.9	174	0	0	0	112.2	E90 Q91 R96 E97 A98	E90-L94 HydrophobicContact CG-CD1 4.48Å; E90-L94 WeakPolarHBondContact O-CG 3.48Å; E90-L94 PolarHBondContact O-N 3.06Å; Q91-L94 PolarHBondContact O-N 2.87Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.42Å; L94-E97 PolarHBondContact O-N 2.92Å; L94-A98 WeakPolarHBondContact O-CB 3.14Å; L94-A98 PolarHBondContact O-N 2.9Å
95	D	97.2	Very high	96.9	Very high	79 Å²	79	105 Å²	105	42%	0.422	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-39.6	176.9	-69.4	-17.1	0	0	0	111.1	Q91 A98 M99	Q91-D95 PolarHBondContact NE2-OD1 2.96Å; Q91-D95 WeakPolarHBondContact O-CB 3.26Å; Q91-D95 VanDerWaalsContact O-CG 3.25Å; Q91-D95 PolarHBondContact O-N 3.47Å; D95-A98 PolarHBondContact O-N 3.12Å; D95-M99 WeakPolarHBondContact O-CB 3.43Å; D95-M99 VanDerWaalsContact O-CG 3.32Å; D95-M99 WeakPolarHBondContact O-CG 3.49Å; D95-M99 PolarHBondContact O-N 2.85Å
96	R	98.1	Very high	97.1	Very high	159 Å²	159	104.8 Å²	104.8	60%	0.6	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-44.4	174.3	-173.2	-173.1	-65.9	-150.6	-0.5	111.8	I92 R93 L94 M99 N100	I92-R96 WeakPolarHBondContact O-CB 3.41Å; I92-R96 PolarHBondContact O-N 3.42Å; I92-R96 VanDerWaalsContact O-N 3.07Å; R93-R96 WeakPolarHBondContact O-CB 3.32Å; R93-R96 PolarHBondContact O-N 3.28Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.42Å; R96-M99 PolarHBondContact O-N 3.09Å; R96-N100 VanDerWaalsContact O-CG 3.29Å; R96-N100 PolarHBondContact O-N 3.07Å
97	E	97.9	Very high	97.2	Very high	78 Å²	78	106.1 Å²	106.1	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-63.7	-42.3	177	-73.7	171.8	-171.4	0	0	111.5	R93 L94 M99 N100 N101	R93-E97 IonicContact CZ-OE1 3.58Å; R93-E97 IonicContact CZ-OE2 3.97Å; R93-E97 IonicContact NH1-OE1 2.6Å; R93-E97 PolarHBondContact NH1-OE1 3.3Å; R93-E97 IonicContact NH1-OE2 3.38Å; R93-E97 PolarHBondContact NH1-OE2 3.07Å; R93-E97 PolarHBondContact O-N 3.47Å; L94-E97 PolarHBondContact O-N 2.92Å; E97-M99 PolarHBondContact O-N 3.21Å; E97-N100 PolarHBondContact O-N 3.04Å; E97-N101 WeakPolarHBondContact O-CB 3.5Å; E97-N101 VanDerWaalsContact O-CG 3.26Å; E97-N101 PolarHBondContact O-N 3.41Å; E97-N101 PolarHBondContact O-ND2 3.22Å
98	A	97.6	Very high	97.3	Very high	44 Å²	44	102.2 Å²	102.2	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-42.4	174.7	0	0	0	0	0	112	L94 D95 N101 R102	L94-A98 WeakPolarHBondContact O-CB 3.14Å; L94-A98 PolarHBondContact O-N 2.9Å; D95-A98 PolarHBondContact O-N 3.12Å; A98-N101 PolarHBondContact O-N 3.43Å; A98-R102 WeakPolarHBondContact O-CG 3.39Å; A98-R102 PolarHBondContact O-N 2.94Å
99	M	97.1	Very high	97.3	Very high	115 Å²	115	104 Å²	104	57%	0.567	50%	0.5	S	S	*	.	H	α-helix	trans	-62.6	-45.5	174.3	-74.4	-169.1	-65	0	0	111.8	D95 R96 E97 N101 R102 V103	D95-M99 WeakPolarHBondContact O-CB 3.43Å; D95-M99 VanDerWaalsContact O-CG 3.32Å; D95-M99 WeakPolarHBondContact O-CG 3.49Å; D95-M99 PolarHBondContact O-N 2.85Å; R96-M99 PolarHBondContact O-N 3.09Å; E97-M99 PolarHBondContact O-N 3.21Å; M99-N101 PolarHBondContact O-N 3.48Å; M99-R102 PolarHBondContact O-N 3Å; M99-V103 WeakPolarHBondContact O-CG2 3.32Å; M99-V103 PolarHBondContact O-N 3.42Å
100	N	97	Very high	97.4	Very high	88 Å²	88	105.6 Å²	105.6	47%	0.471	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-43.9	178	-72.6	-16.5	0	0	0	111.8	R96 E97 R102 V103 I104	R96-N100 VanDerWaalsContact O-CG 3.29Å; R96-N100 PolarHBondContact O-N 3.07Å; E97-N100 PolarHBondContact O-N 3.04Å; N100-R102 VanDerWaalsContact C-N 3.32Å; N100-R102 PolarHBondContact O-N 3.34Å; N100-V103 PolarHBondContact O-N 3.24Å; N100-I104 VanDerWaalsContact O-CG1 3.32Å; N100-I104 WeakPolarHBondContact O-CG1 3.44Å; N100-I104 PolarHBondContact O-N 3.05Å
101	N	96.5	Very high	97.5	Very high	100 Å²	100	104.2 Å²	104.2	54%	0.535	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-39.2	177.3	-70.4	-17.7	0	0	0	112	E97 A98 M99 I104 M105	E97-N101 WeakPolarHBondContact O-CB 3.5Å; E97-N101 VanDerWaalsContact O-CG 3.26Å; E97-N101 PolarHBondContact O-N 3.41Å; E97-N101 PolarHBondContact O-ND2 3.22Å; A98-N101 PolarHBondContact O-N 3.43Å; M99-N101 PolarHBondContact O-N 3.48Å; N101-I104 PolarHBondContact O-N 3.45Å; N101-M105 VanDerWaalsContact O-CG 3.29Å; N101-M105 WeakPolarHBondContact O-CG 3.29Å; N101-M105 PolarHBondContact O-N 2.96Å
102	R	97.5	Very high	97.5	Very high	183 Å²	183	105.9 Å²	105.9	69%	0.691	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-43.9	174.2	-73.6	176.6	-178.2	-172	2	112.1	A98 M99 N100 I104 M105 I106	A98-R102 WeakPolarHBondContact O-CG 3.39Å; A98-R102 PolarHBondContact O-N 2.94Å; M99-R102 PolarHBondContact O-N 3Å; N100-R102 VanDerWaalsContact C-N 3.32Å; N100-R102 PolarHBondContact O-N 3.34Å; R102-I104 VanDerWaalsContact C-N 3.34Å; R102-I104 PolarHBondContact O-N 3.47Å; R102-M105 PolarHBondContact O-N 3.45Å; R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 2.97Å
103	V	97.8	Very high	97.5	Very high	94 Å²	94	109 Å²	109	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-62.5	-42.8	177.8	172.6	0	0	0	0	111	M99 N100 M105 I106 F107	M99-V103 WeakPolarHBondContact O-CG2 3.32Å; M99-V103 PolarHBondContact O-N 3.42Å; N100-V103 PolarHBondContact O-N 3.24Å; V103-M105 VanDerWaalsContact C-N 3.33Å; V103-M105 PolarHBondContact O-N 3.28Å; V103-I106 PolarHBondContact O-N 2.91Å; V103-F107 WeakPolarHBondContact O-CB 3.35Å; V103-F107 PolarHBondContact O-N 3.18Å
104	I	97.5	Very high	97.6	Very high	102 Å²	102	106 Å²	106	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-43.2	176.7	-68.9	165.8	0	0	0	110.8	N100 N101 R102 F107 Q108	N100-I104 VanDerWaalsContact O-CG1 3.32Å; N100-I104 WeakPolarHBondContact O-CG1 3.44Å; N100-I104 PolarHBondContact O-N 3.05Å; N101-I104 PolarHBondContact O-N 3.45Å; R102-I104 VanDerWaalsContact C-N 3.34Å; R102-I104 PolarHBondContact O-N 3.47Å; I104-F107 PolarHBondContact O-N 3.3Å; I104-Q108 WeakPolarHBondContact O-CB 3.37Å; I104-Q108 PolarHBondContact O-N 3.05Å
105	M	96.2	Very high	97.6	Very high	97 Å²	97	106.6 Å²	106.6	48%	0.478	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-45.4	178.6	-70.7	-92.7	60.9	0	0	112.4	N101 R102 V103 F107 Q108 E109	N101-M105 VanDerWaalsContact O-CG 3.29Å; N101-M105 WeakPolarHBondContact O-CG 3.29Å; N101-M105 PolarHBondContact O-N 2.96Å; R102-M105 PolarHBondContact O-N 3.45Å; V103-M105 VanDerWaalsContact C-N 3.33Å; V103-M105 PolarHBondContact O-N 3.28Å; M105-F107 VanDerWaalsContact C-N 3.3Å; M105-F107 PolarHBondContact O-N 3.38Å; M105-Q108 HydrophobicContact CE-CB 4.38Å; M105-Q108 PolarHBondContact O-N 2.92Å; M105-E109 PolarHBondContact O-N 3.49Å
106	I	97.6	Very high	97.7	Very high	113 Å²	113	109.1 Å²	109.1	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-60.4	-42.9	176.1	-66.8	166.1	0	0	0	110.7	R102 V103 Q108 E109 F110	R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 2.97Å; V103-I106 PolarHBondContact O-N 2.91Å; I106-Q108 VanDerWaalsContact C-N 3.33Å; I106-Q108 PolarHBondContact O-N 3.48Å; I106-E109 PolarHBondContact O-N 3.25Å; I106-F110 WeakPolarHBondContact O-CB 3.28Å; I106-F110 PolarHBondContact O-N 3.41Å
107	F	97.8	Very high	97.7	Very high	128 Å²	128	103.5 Å²	103.5	56%	0.561	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-41.4	177.5	-172.4	-99.4	0	0	0	111.6	V103 I104 M105 F110 Q111	V103-F107 WeakPolarHBondContact O-CB 3.35Å; V103-F107 PolarHBondContact O-N 3.18Å; I104-F107 PolarHBondContact O-N 3.3Å; M105-F107 VanDerWaalsContact C-N 3.3Å; M105-F107 PolarHBondContact O-N 3.38Å; F107-F110 PolarHBondContact O-N 2.92Å; F107-Q111 HydrophobicContact CD1-CG 4Å; F107-Q111 HydrophobicContact CE1-CG 3.71Å; F107-Q111 HydrophobicContact CZ-CG 4.14Å; F107-Q111 VanDerWaalsContact O-CG 3.28Å; F107-Q111 WeakPolarHBondContact O-CG 3.15Å; F107-Q111 PolarHBondContact O-N 3.29Å
108	Q	97.3	Very high	97.7	Very high	85 Å²	85	107.6 Å²	107.6	40%	0.397	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-44.1	177.3	-172.8	177	-9.5	0	0	111.9	I104 M105 I106 F110 Q111 F112	I104-Q108 WeakPolarHBondContact O-CB 3.37Å; I104-Q108 PolarHBondContact O-N 3.05Å; M105-Q108 HydrophobicContact CE-CB 4.38Å; M105-Q108 PolarHBondContact O-N 2.92Å; I106-Q108 VanDerWaalsContact C-N 3.33Å; I106-Q108 PolarHBondContact O-N 3.48Å; Q108-F110 VanDerWaalsContact C-N 3.33Å; Q108-F110 PolarHBondContact O-N 3.48Å; Q108-Q111 PolarHBondContact O-N 2.95Å; Q108-F112 HydrophobicContact CG-CD2 3.91Å; Q108-F112 HydrophobicContact CG-CE2 3.57Å; Q108-F112 WeakPolarHBondContact O-CD2 3.43Å; Q108-F112 PolarHBondContact O-N 2.92Å
109	E	97.5	Very high	97.7	Very high	134 Å²	134	107.9 Å²	107.9	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-59.6	-43.5	173.9	-73.9	-175.5	171.4	0	0	111.8	M105 I106 Q111 F112 Y113	M105-E109 PolarHBondContact O-N 3.49Å; I106-E109 PolarHBondContact O-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.46Å; E109-F112 PolarHBondContact O-N 3.4Å; E109-Y113 PolarHBondContact O-N 3.34Å
110	F	98.2	Very high	97.8	Very high	120 Å²	120	105 Å²	105	53%	0.526	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-43.2	175.8	-177.9	-100.2	0	0	0	112	I106 F107 Q108 F112 Y113 V114	I106-F110 WeakPolarHBondContact O-CB 3.28Å; I106-F110 PolarHBondContact O-N 3.41Å; F107-F110 PolarHBondContact O-N 2.92Å; Q108-F110 VanDerWaalsContact C-N 3.33Å; Q108-F110 PolarHBondContact O-N 3.48Å; F110-F112 PolarHBondContact O-N 2.8Å; F110-Y113 PolarHBondContact O-N 2.98Å; F110-V114 HydrophobicContact CD1-CG2 4.16Å; F110-V114 HydrophobicContact CE1-CG2 3.73Å; F110-V114 HydrophobicContact CE2-CG2 4.21Å; F110-V114 HydrophobicContact CZ-CG2 3.76Å; F110-V114 WeakPolarHBondContact O-CG2 3.35Å; F110-V114 PolarHBondContact O-N 3.5Å
111	Q	98.1	Very high	97.8	Very high	81 Å²	81	103.5 Å²	103.5	38%	0.379	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-41.2	175.8	-72.1	-64.8	-26.2	0	0	112.2	F107 Q108 E109 V114 T115	F107-Q111 HydrophobicContact CD1-CG 4Å; F107-Q111 HydrophobicContact CE1-CG 3.71Å; F107-Q111 HydrophobicContact CZ-CG 4.14Å; F107-Q111 VanDerWaalsContact O-CG 3.28Å; F107-Q111 WeakPolarHBondContact O-CG 3.15Å; F107-Q111 PolarHBondContact O-N 3.29Å; Q108-Q111 PolarHBondContact O-N 2.95Å; E109-Q111 PolarHBondContact O-N 3.46Å; Q111-V114 PolarHBondContact O-N 2.96Å; Q111-T115 WeakPolarHBondContact O-CB 3.36Å; Q111-T115 PolarHBondContact O-N 2.84Å; Q111-T115 PolarHBondContact O-OG1 2.87Å
112	F	98.2	Very high	97.9	Very high	134 Å²	134	100.9 Å²	100.9	59%	0.588	49%	0.49	S	S	*	.	H	α-helix	trans	-61.8	-45.4	174	-80.9	-61.4	0	0	0	111.7	Q108 E109 F110 T115 F116	Q108-F112 HydrophobicContact CG-CD2 3.91Å; Q108-F112 HydrophobicContact CG-CE2 3.57Å; Q108-F112 WeakPolarHBondContact O-CD2 3.43Å; Q108-F112 PolarHBondContact O-N 2.92Å; E109-F112 PolarHBondContact O-N 3.4Å; F110-F112 PolarHBondContact O-N 2.8Å; F112-T115 PolarHBondContact O-N 2.94Å; F112-F116 VanDerWaalsContact O-CB 3.25Å; F112-F116 WeakPolarHBondContact O-CB 3.25Å; F112-F116 PolarHBondContact O-N 3.26Å
113	Y	98	Very high	98	Very high	154 Å²	154	97.3 Å²	97.3	60%	0.604	48%	0.484	S	S	*	.	H	α-helix	trans	-60.7	-47.8	178.1	-179.1	-99.8	0	0	0	112	E109 F110 T115 F116 C117	E109-Y113 PolarHBondContact O-N 3.34Å; F110-Y113 PolarHBondContact O-N 2.98Å; Y113-T115 PolarHBondContact O-N 3.36Å; Y113-F116 PolarHBondContact O-N 2.85Å; Y113-C117 VanDerWaalsContact CZ-SG 3.51Å; Y113-C117 PolarHBondContact O-N 3.44Å; Y113-C117 PolarHBondContact O-SG 3.36Å; Y113-C117 VanDerWaalsContact O-SG 3.32Å
114	V	98.4	Very high	98	Very high	65 Å²	65	98.1 Å²	98.1	39%	0.394	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-45.2	177.6	171.9	0	0	0	0	111.2	F110 Q111 F116 C117 Y118	F110-V114 HydrophobicContact CD1-CG2 4.16Å; F110-V114 HydrophobicContact CE1-CG2 3.73Å; F110-V114 HydrophobicContact CE2-CG2 4.21Å; F110-V114 HydrophobicContact CZ-CG2 3.76Å; F110-V114 WeakPolarHBondContact O-CG2 3.35Å; F110-V114 PolarHBondContact O-N 3.5Å; Q111-V114 PolarHBondContact O-N 2.96Å; V114-F116 VanDerWaalsContact C-N 3.34Å; V114-F116 PolarHBondContact O-N 3.49Å; V114-C117 PolarHBondContact O-N 2.87Å; V114-Y118 WeakPolarHBondContact O-CB 3.42Å; V114-Y118 PolarHBondContact O-N 3.25Å
115	T	98.3	Very high	98	Very high	86 Å²	86	101 Å²	101	53%	0.528	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-41.4	177.9	-56.7	0	0	0	0	111.5	Q111 F112 Y113 Y118 S119	Q111-T115 WeakPolarHBondContact O-CB 3.36Å; Q111-T115 PolarHBondContact O-N 2.84Å; Q111-T115 PolarHBondContact O-OG1 2.87Å; F112-T115 PolarHBondContact O-N 2.94Å; Y113-T115 PolarHBondContact O-N 3.36Å; T115-Y118 PolarHBondContact O-N 2.93Å; T115-S119 PolarHBondContact O-N 3.32Å; T115-S119 PolarHBondContact O-OG 2.99Å
116	F	98.5	Very high	98	Very high	131 Å²	131	100.2 Å²	100.2	58%	0.575	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-47.1	175.9	178	-99.3	0	0	0	112	F112 Y113 V114 Y118 S119 V120	F112-F116 VanDerWaalsContact O-CB 3.25Å; F112-F116 WeakPolarHBondContact O-CB 3.25Å; F112-F116 PolarHBondContact O-N 3.26Å; Y113-F116 PolarHBondContact O-N 2.85Å; V114-F116 VanDerWaalsContact C-N 3.34Å; V114-F116 PolarHBondContact O-N 3.49Å; F116-Y118 VanDerWaalsContact C-N 3.27Å; F116-Y118 PolarHBondContact O-N 2.97Å; F116-S119 PolarHBondContact O-N 2.91Å; F116-S119 PolarHBondContact O-OG 3Å; F116-V120 HydrophobicContact CD1-CG2 4.39Å; F116-V120 HydrophobicContact CD2-CG2 4.47Å; F116-V120 HydrophobicContact CE1-CG2 3.98Å; F116-V120 HydrophobicContact CE2-CG2 4.06Å; F116-V120 HydrophobicContact CZ-CG2 3.8Å; F116-V120 WeakPolarHBondContact O-CG2 3.48Å; F116-V120 PolarHBondContact O-N 3.25Å
117	C	98.2	Very high	98	Very high	42 Å²	42	100.7 Å²	100.7	28%	0.284	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-39	175.8	-69.6	0	0	0	0	112	Y113 V114 S121	Y113-C117 VanDerWaalsContact CZ-SG 3.51Å; Y113-C117 PolarHBondContact O-N 3.44Å; Y113-C117 PolarHBondContact O-SG 3.36Å; Y113-C117 VanDerWaalsContact O-SG 3.32Å; V114-C117 PolarHBondContact O-N 2.87Å; C117-S121 VanDerWaalsContact O-CB 3.3Å; C117-S121 WeakPolarHBondContact O-CB 3.41Å; C117-S121 PolarHBondContact O-N 2.99Å; C117-S121 PolarHBondContact O-OG 3.38Å
118	Y	98.3	Very high	97.9	Very high	164 Å²	164	96.6 Å²	96.6	64%	0.643	47%	0.473	S	S	*	.	H	α-helix	trans	-66.4	-41.3	177.1	-175.2	-94.9	0	0	0	112.4	V114 T115 F116 S121 T122	V114-Y118 WeakPolarHBondContact O-CB 3.42Å; V114-Y118 PolarHBondContact O-N 3.25Å; T115-Y118 PolarHBondContact O-N 2.93Å; F116-Y118 VanDerWaalsContact C-N 3.27Å; F116-Y118 PolarHBondContact O-N 2.97Å; Y118-S121 PolarHBondContact O-N 3.34Å; Y118-T122 WeakPolarHBondContact O-CB 3.38Å; Y118-T122 PolarHBondContact O-N 3.48Å; Y118-T122 PolarHBondContact O-OG1 2.9Å
119	S	98.3	Very high	97.9	Very high	50 Å²	50	96.2 Å²	96.2	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-45.7	178.5	69.9	0	0	0	0	111.6	T115 F116 S121 T122 L123	T115-S119 PolarHBondContact O-N 3.32Å; T115-S119 PolarHBondContact O-OG 2.99Å; F116-S119 PolarHBondContact O-N 2.91Å; F116-S119 PolarHBondContact O-OG 3Å; S119-S121 PolarHBondContact O-N 3.19Å; S119-T122 WeakPolarHBondContact O-CB 3.34Å; S119-T122 PolarHBondContact O-N 3.45Å; S119-L123 WeakPolarHBondContact O-CG 3.31Å; S119-L123 PolarHBondContact O-N 3.48Å
120	V	98.4	Very high	97.8	Very high	54 Å²	54	94 Å²	94	33%	0.327	47%	0.465	S	S	.	.	H	α-helix	trans	-60.5	-45	175.5	173.7	0	0	0	0	111.1	F116 T122 L123 L124	F116-V120 HydrophobicContact CD1-CG2 4.39Å; F116-V120 HydrophobicContact CD2-CG2 4.47Å; F116-V120 HydrophobicContact CE1-CG2 3.98Å; F116-V120 HydrophobicContact CE2-CG2 4.06Å; F116-V120 HydrophobicContact CZ-CG2 3.8Å; F116-V120 WeakPolarHBondContact O-CG2 3.48Å; F116-V120 PolarHBondContact O-N 3.25Å; V120-T122 VanDerWaalsContact C-N 3.28Å; V120-T122 PolarHBondContact O-N 2.78Å; V120-L123 PolarHBondContact O-N 3.15Å; V120-L124 HydrophobicContact CG1-CD1 4.1Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 WeakPolarHBondContact O-CG 3.39Å; V120-L124 PolarHBondContact O-N 2.98Å
121	S	98.2	Very high	97.7	Very high	56 Å²	56	93.3 Å²	93.3	39%	0.392	47%	0.466	S	S	.	.	H	α-helix	trans	-60.2	-40	177	-63.8	0	0	0	0	112	C117 Y118 S119 R125	C117-S121 VanDerWaalsContact O-CB 3.3Å; C117-S121 WeakPolarHBondContact O-CB 3.41Å; C117-S121 PolarHBondContact O-N 2.99Å; C117-S121 PolarHBondContact O-OG 3.38Å; Y118-S121 PolarHBondContact O-N 3.34Å; S119-S121 PolarHBondContact O-N 3.19Å; S121-R125 VanDerWaalsContact O-CG 3.31Å; S121-R125 WeakPolarHBondContact O-CG 3.3Å; S121-R125 PolarHBondContact O-N 3.37Å
122	T	98.4	Very high	97.5	Very high	46 Å²	46	96.4 Å²	96.4	28%	0.282	47%	0.474	S	S	.	.	H	α-helix	trans	-66.9	-43.8	177	-61.1	0	0	0	0	111.8	Y118 S119 V120 R125 I126	Y118-T122 WeakPolarHBondContact O-CB 3.38Å; Y118-T122 PolarHBondContact O-N 3.48Å; Y118-T122 PolarHBondContact O-OG1 2.9Å; S119-T122 WeakPolarHBondContact O-CB 3.34Å; S119-T122 PolarHBondContact O-N 3.45Å; V120-T122 VanDerWaalsContact C-N 3.28Å; V120-T122 PolarHBondContact O-N 2.78Å; T122-R125 WeakPolarHBondContact O-CB 3.47Å; T122-R125 PolarHBondContact O-N 3.24Å; T122-I126 HydrophobicContact CG2-CD1 3.98Å; T122-I126 WeakPolarHBondContact O-CG1 3.38Å; T122-I126 PolarHBondContact O-N 3.25Å
123	L	98.1	Very high	97.3	Very high	108 Å²	108	95.9 Å²	95.9	57%	0.565	47%	0.472	S	S	*	.	H	α-helix	trans	-61.3	-46.1	176.3	-71.7	174.2	0	0	0	111.9	S119 V120 R125 I126 E127	S119-L123 WeakPolarHBondContact O-CG 3.31Å; S119-L123 PolarHBondContact O-N 3.48Å; V120-L123 PolarHBondContact O-N 3.15Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 3.07Å; L123-I126 PolarHBondContact O-N 3.36Å; L123-I126 VanDerWaalsContact O-N 3.15Å; L123-E127 PolarHBondContact O-N 2.93Å
124	L	97.7	Very high	97.1	Very high	110 Å²	110	97 Å²	97	58%	0.576	48%	0.475	S	S	*	.	H	α-helix	trans	-60.6	-38.9	175.8	-71	174.3	0	0	0	112.1	V120 S128	V120-L124 HydrophobicContact CG1-CD1 4.1Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 WeakPolarHBondContact O-CG 3.39Å; V120-L124 PolarHBondContact O-N 2.98Å; L124-S128 WeakPolarHBondContact O-CB 3.32Å; L124-S128 PolarHBondContact O-N 3.3Å
125	R	97.8	Very high	96.8	Very high	164 Å²	164	98.4 Å²	98.4	62%	0.619	48%	0.484	S	S	*	.	H	α-helix	trans	-62.6	-45.8	174.1	-75.5	175.2	-173.2	173.8	2.6	111.4	S121 T122 L123 S128 I129	S121-R125 VanDerWaalsContact O-CG 3.31Å; S121-R125 WeakPolarHBondContact O-CG 3.3Å; S121-R125 PolarHBondContact O-N 3.37Å; T122-R125 WeakPolarHBondContact O-CB 3.47Å; T122-R125 PolarHBondContact O-N 3.24Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 3.07Å; R125-S128 PolarHBondContact O-N 2.94Å; R125-S128 PolarHBondContact O-OG 2.95Å; R125-I129 WeakPolarHBondContact O-CG1 3.37Å; R125-I129 PolarHBondContact O-N 3.24Å; R125-I129 VanDerWaalsContact O-N 3.09Å
126	I	97.5	Very high	96.4	Very high	80 Å²	80	102.4 Å²	102.4	41%	0.41	49%	0.49	S	S	.	.	H	α-helix	trans	-62.1	-47.4	178.8	-67.7	165	0	0	0	110.7	T122 L123 S128 I129 N130	T122-I126 HydrophobicContact CG2-CD1 3.98Å; T122-I126 WeakPolarHBondContact O-CG1 3.38Å; T122-I126 PolarHBondContact O-N 3.25Å; L123-I126 PolarHBondContact O-N 3.36Å; L123-I126 VanDerWaalsContact O-N 3.15Å; I126-S128 VanDerWaalsContact C-N 3.33Å; I126-S128 PolarHBondContact O-N 3.13Å; I126-I129 WeakPolarHBondContact O-CB 3.43Å; I126-I129 PolarHBondContact O-N 3.42Å; I126-I129 VanDerWaalsContact O-N 3.12Å; I126-N130 PolarHBondContact O-N 3.03Å
127	E	96.5	Very high	96	Very high	123 Å²	123	102 Å²	102	58%	0.575	49%	0.492	S	S	*	.	H	α-helix	trans	-60.1	-42.8	176.1	-74.5	-145.3	157	0	0	112	L123 I129 N130 L131	L123-E127 PolarHBondContact O-N 2.93Å; E127-I129 PolarHBondContact O-N 3.31Å; E127-N130 PolarHBondContact O-N 2.82Å; E127-N130 VanDerWaalsContact O-N 3.13Å; E127-L131 WeakPolarHBondContact O-CB 3.36Å; E127-L131 WeakPolarHBondContact O-CG 3.44Å; E127-L131 PolarHBondContact O-N 2.99Å
128	S	96.9	Very high	95.5	Very high	41 Å²	41	105.3 Å²	105.3	29%	0.287	51%	0.507	S	S	.	.	H	α-helix	trans	-59.9	-33.6	176.7	85.9	0	0	0	0	112.6	L124 R125 I126 R132	L124-S128 WeakPolarHBondContact O-CB 3.32Å; L124-S128 PolarHBondContact O-N 3.3Å; R125-S128 PolarHBondContact O-N 2.94Å; R125-S128 PolarHBondContact O-OG 2.95Å; I126-S128 VanDerWaalsContact C-N 3.33Å; I126-S128 PolarHBondContact O-N 3.13Å; S128-R132 WeakPolarHBondContact O-CB 3.45Å; S128-R132 VanDerWaalsContact O-CG 3.31Å; S128-R132 WeakPolarHBondContact O-CG 3.31Å; S128-R132 PolarHBondContact O-N 3.12Å; S128-R132 PolarHBondContact O-NE 3.48Å; S128-R132 VanDerWaalsContact O-NE 3.11Å; S128-R132 PolarHBondContact OG-NH2 3.09Å
129	I	96.7	Very high	94.9	Very high	77 Å²	77	101.2 Å²	101.2	40%	0.395	50%	0.502	S	S	.	.	H	α-helix	trans	-73.7	-43.5	177.2	-68.7	164.6	0	0	0	109.6	R125 I126 E127 R132 K133	R125-I129 WeakPolarHBondContact O-CG1 3.37Å; R125-I129 PolarHBondContact O-N 3.24Å; R125-I129 VanDerWaalsContact O-N 3.09Å; I126-I129 WeakPolarHBondContact O-CB 3.43Å; I126-I129 PolarHBondContact O-N 3.42Å; I126-I129 VanDerWaalsContact O-N 3.12Å; E127-I129 PolarHBondContact O-N 3.31Å; I129-R132 PolarHBondContact O-N 2.94Å; I129-K133 HydrophobicContact CG2-CD 4.37Å; I129-K133 WeakPolarHBondContact O-CG 3.47Å; I129-K133 PolarHBondContact O-N 2.72Å
130	N	95.5	Very high	94.3	Very high	87 Å²	87	106.9 Å²	106.9	47%	0.465	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-43	178.5	-73.3	-22.2	0	0	0	112	I126 E127 R132 K133 R134	I126-N130 PolarHBondContact O-N 3.03Å; E127-N130 PolarHBondContact O-N 2.82Å; E127-N130 VanDerWaalsContact O-N 3.13Å; N130-R132 PolarHBondContact O-N 2.87Å; N130-K133 PolarHBondContact O-N 3.36Å; N130-R134 WeakPolarHBondContact O-CB 3.47Å; N130-R134 PolarHBondContact O-N 3.49Å
131	L	95.6	Very high	93.5	Very high	106 Å²	106	109.1 Å²	109.1	56%	0.555	54%	0.539	S	S	*	.	H	α-helix	trans	-58.4	-47.8	173	-73.5	169.6	0	0	0	110.8	E127 K133 R134 T135	E127-L131 WeakPolarHBondContact O-CB 3.36Å; E127-L131 WeakPolarHBondContact O-CG 3.44Å; E127-L131 PolarHBondContact O-N 2.99Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.22Å; L131-R134 PolarHBondContact O-N 2.96Å; L131-T135 PolarHBondContact O-N 2.92Å; L131-T135 PolarHBondContact O-OG1 3.19Å
132	R	94.5	Very high	92.4	Very high	146 Å²	146	112.1 Å²	112.1	55%	0.551	54%	0.542	S	S	*	.	H	α-helix	trans	-59.3	-40	175.9	-79.7	-177.3	-90	-174.8	-8.2	112.8	S128 I129 N130 R136	S128-R132 WeakPolarHBondContact O-CB 3.45Å; S128-R132 VanDerWaalsContact O-CG 3.31Å; S128-R132 WeakPolarHBondContact O-CG 3.31Å; S128-R132 PolarHBondContact O-N 3.12Å; S128-R132 PolarHBondContact O-NE 3.48Å; S128-R132 VanDerWaalsContact O-NE 3.11Å; S128-R132 PolarHBondContact OG-NH2 3.09Å; I129-R132 PolarHBondContact O-N 2.94Å; N130-R132 PolarHBondContact O-N 2.87Å; R132-R136 WeakPolarHBondContact O-CG 3.32Å; R132-R136 PolarHBondContact O-N 3.21Å
133	K	94.6	Very high	91	Very high	123 Å²	123	120.7 Å²	120.7	54%	0.535	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-45.2	174.9	-73.6	176.8	-179.7	177.5	0	111.6	I129 N130 L131 T135 R136 L137	I129-K133 HydrophobicContact CG2-CD 4.37Å; I129-K133 WeakPolarHBondContact O-CG 3.47Å; I129-K133 PolarHBondContact O-N 2.72Å; N130-K133 PolarHBondContact O-N 3.36Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.22Å; K133-T135 PolarHBondContact O-N 3.19Å; K133-R136 PolarHBondContact O-N 3.11Å; K133-L137 WeakPolarHBondContact O-CG 3.38Å; K133-L137 PolarHBondContact O-N 3.2Å
134	R	93.1	Very high	89.5	Confident	177 Å²	177	118 Å²	118	67%	0.668	56%	0.558	S	S	*	*	H	α-helix	trans	-61	-44.9	178.8	-167.7	174.6	-173.7	168.4	1.5	111.5	N130 L131 R136 L137 L138	N130-R134 WeakPolarHBondContact O-CB 3.47Å; N130-R134 PolarHBondContact O-N 3.49Å; L131-R134 PolarHBondContact O-N 2.96Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.2Å; R134-L137 PolarHBondContact O-N 3.39Å; R134-L138 HydrophobicContact CG-CD1 4.29Å; R134-L138 WeakPolarHBondContact O-CG 3.45Å; R134-L138 PolarHBondContact O-N 3Å
135	T	92.4	Very high	88.3	Confident	95 Å²	95	121.3 Å²	121.3	58%	0.583	57%	0.568	S	S	*	*	H	α-helix	trans	-60.5	-40.3	176.2	-52.8	0	0	0	0	112	L131 K133 S139	L131-T135 PolarHBondContact O-N 2.92Å; L131-T135 PolarHBondContact O-OG1 3.19Å; K133-T135 PolarHBondContact O-N 3.19Å; T135-S139 WeakPolarHBondContact O-CB 3.48Å; T135-S139 PolarHBondContact O-N 2.97Å; T135-S139 PolarHBondContact O-OG 3.36Å
136	R	90.3	Very high	86.6	Confident	171 Å²	171	125.9 Å²	125.9	65%	0.645	59%	0.585	S	S	*	*	H	α-helix	trans	-67.9	-34.7	176.1	-72.1	175.9	-173.2	-175.3	1.8	113.4	R132 K133 R134 S139 K140	R132-R136 WeakPolarHBondContact O-CG 3.32Å; R132-R136 PolarHBondContact O-N 3.21Å; K133-R136 PolarHBondContact O-N 3.11Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.2Å; R136-S139 PolarHBondContact O-OG 3.21Å; R136-K140 WeakPolarHBondContact O-CG 3.41Å; R136-K140 PolarHBondContact O-N 3.03Å
137	L	90.2	Very high	84.9	Confident	121 Å²	121	124.2 Å²	124.2	63%	0.634	59%	0.588	S	S	*	*	H	α-helix	trans	-71.5	-42.8	176.5	-70.3	173.3	0	0	0	111.2	K133 R134 S139 K140 S141	K133-L137 WeakPolarHBondContact O-CG 3.38Å; K133-L137 PolarHBondContact O-N 3.2Å; R134-L137 PolarHBondContact O-N 3.39Å; L137-S139 PolarHBondContact O-N 3Å; L137-K140 PolarHBondContact O-N 2.94Å; L137-S141 PolarHBondContact O-N 3.49Å
138	L	86.6	Confident	83.2	Confident	113 Å²	113	122.6 Å²	122.6	59%	0.592	58%	0.58	S	S	*	*	H	α-helix	trans	-62	-42.3	175.5	-70.2	173.5	0	0	0	111.6	R134 K140 S141 Y142	R134-L138 HydrophobicContact CG-CD1 4.29Å; R134-L138 WeakPolarHBondContact O-CG 3.45Å; R134-L138 PolarHBondContact O-N 3Å; L138-K140 VanDerWaalsContact C-N 3.35Å; L138-K140 PolarHBondContact O-N 3.31Å; L138-S141 PolarHBondContact O-N 3.45Å; L138-Y142 WeakPolarHBondContact O-CB 3.38Å; L138-Y142 PolarHBondContact O-N 2.98Å
139	S	86.8	Confident	81.7	Confident	77 Å²	77	126.1 Å²	126.1	54%	0.538	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-33.8	177.8	69.5	0	0	0	0	113.3	T135 R136 L137	T135-S139 WeakPolarHBondContact O-CB 3.48Å; T135-S139 PolarHBondContact O-N 2.97Å; T135-S139 PolarHBondContact O-OG 3.36Å; R136-S139 PolarHBondContact O-OG 3.21Å; L137-S139 PolarHBondContact O-N 3Å
140	K	84.4	Confident	80.4	Confident	170 Å²	170	125.7 Å²	125.7	74%	0.739	60%	0.599	S	S	*	*	H	α-helix	trans	-71.9	-38.7	174.1	-76.2	-178.7	178.7	-172.9	0	113	R136 L137 L138 Y142	R136-K140 WeakPolarHBondContact O-CG 3.41Å; R136-K140 PolarHBondContact O-N 3.03Å; L137-K140 PolarHBondContact O-N 2.94Å; L138-K140 VanDerWaalsContact C-N 3.35Å; L138-K140 PolarHBondContact O-N 3.31Å; K140-Y142 VanDerWaalsContact C-N 3.31Å
141	S	82.4	Confident	79.1	Confident	101 Å²	101	126.4 Å²	126.4	71%	0.706	60%	0.602	S	S	*	*	H	α-helix	trans	-72.1	-28.7	179	-170.8	0	0	0	0	112.2	L137 L138 R143	L137-S141 PolarHBondContact O-N 3.49Å; L138-S141 PolarHBondContact O-N 3.45Å; S141-R143 VanDerWaalsContact C-N 3.35Å; S141-R143 PolarHBondContact O-N 3.38Å
142	Y	74.4	Confident	77.9	Confident	119 Å²	119	124.5 Å²	124.5	47%	0.467	60%	0.595	S	S	.	*			trans	-73.1	89	175	-170.8	-100.4	0	0	0	109.9	L138 K140 P144 H148	L138-Y142 WeakPolarHBondContact O-CB 3.38Å; L138-Y142 PolarHBondContact O-N 2.98Å; K140-Y142 VanDerWaalsContact C-N 3.31Å; Y142-P144 HydrophobicContact CD1-CB 4.49Å; Y142-P144 HydrophobicContact CE1-CB 3.95Å; Y142-P144 WeakPolarHBondContact O-CD 3.14Å; Y142-H148 PolarHBondContact OH-ND1 3.05Å
143	R	69.6	Low	77	Confident	225 Å²	225	127.3 Å²	127.3	85%	0.849	61%	0.605	S	S	*	*			trans	-78.5	106.2	160.9	-71.5	-162.6	-174.5	-124.3	5.2	107.5	S141 K145	S141-R143 VanDerWaalsContact C-N 3.35Å; S141-R143 PolarHBondContact O-N 3.38Å; R143-K145 PolarHBondContact O-N 2.98Å
144	P	66.9	Low	76	Confident	52 Å²	52	126.4 Å²	126.4	34%	0.338	61%	0.605	S	S	.	*			trans	-60	119.4	172.9	24.1	-31.3	0	0	0	108	Y142 R146 L149	Y142-P144 HydrophobicContact CD1-CB 4.49Å; Y142-P144 HydrophobicContact CE1-CB 3.95Å; Y142-P144 WeakPolarHBondContact O-CD 3.14Å; P144-R146 PolarHBondContact O-N 2.72Å; P144-L149 HydrophobicContact CB-CD1 4.33Å; P144-L149 HydrophobicContact CB-CD2 4.41Å; P144-L149 HydrophobicContact CB-CG 3.94Å; P144-L149 HydrophobicContact CG-CD1 4.13Å; P144-L149 HydrophobicContact CG-CD2 4.45Å; P144-L149 HydrophobicContact CG-CG 4.18Å
145	K	70.7	Confident	75.2	Confident	179 Å²	179	120.5 Å²	120.5	78%	0.778	59%	0.594	S	S	*	*			trans	-54.3	138.6	160.8	-72.1	-176.3	178	179.9	0	106.5	R143 G147 H148	R143-K145 PolarHBondContact O-N 2.98Å; K145-G147 PolarHBondContact O-N 2.86Å; K145-H148 PolarHBondContact O-N 3.42Å
146	R	64	Low	74.5	Confident	260 Å²	260	120.4 Å²	120.4	98%	0.981	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.6	-7.1	-170.6	-86.8	-175.6	-176.5	173.7	1.1	116.3	P144	P144-R146 PolarHBondContact O-N 2.72Å
147	G	61.9	Low	73.9	Confident	45 Å²	45	118.3 Å²	118.3	46%	0.464	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.8	-6.3	171.9	0	0	0	0	0	117.1	K145 S150	K145-G147 PolarHBondContact O-N 2.86Å; G147-S150 PolarHBondContact O-OG 3.4Å
148	H	60.5	Low	73.5	Confident	89 Å²	89	117.2 Å²	117.2	41%	0.412	58%	0.584	S	S	.	*	H	α-helix	trans	-82.1	-25.2	-174.8	-123.8	-98.8	0	0	0	113.4	Y142 K145 S150 I151 V152	Y142-H148 PolarHBondContact OH-ND1 3.05Å; K145-H148 PolarHBondContact O-N 3.42Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 3.11Å; H148-I151 PolarHBondContact O-N 3.47Å; H148-V152 WeakPolarHBondContact O-CG2 3.5Å; H148-V152 PolarHBondContact O-N 3.39Å; H148-V152 VanDerWaalsContact O-N 3.11Å
149	L	64.6	Low	73	Confident	116 Å²	116	116.6 Å²	116.6	61%	0.607	59%	0.59	S	S	*	*	H	α-helix	trans	-66.2	-33.4	179.8	-76.1	167.3	0	0	0	112.3	P144 R153	P144-L149 HydrophobicContact CB-CD1 4.33Å; P144-L149 HydrophobicContact CB-CD2 4.41Å; P144-L149 HydrophobicContact CB-CG 3.94Å; P144-L149 HydrophobicContact CG-CD1 4.13Å; P144-L149 HydrophobicContact CG-CD2 4.45Å; P144-L149 HydrophobicContact CG-CG 4.18Å; L149-R153 WeakPolarHBondContact O-CB 3.43Å; L149-R153 PolarHBondContact O-N 3.35Å; L149-R153 VanDerWaalsContact O-N 3.14Å
150	S	68.4	Low	72.5	Confident	67 Å²	67	122.7 Å²	122.7	47%	0.469	60%	0.602	S	S	.	*	H	α-helix	trans	-67.7	-44.4	175	51.5	0	0	0	0	111.3	G147 H148 V152 R153 I154	G147-S150 PolarHBondContact O-OG 3.4Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 3.11Å; S150-V152 PolarHBondContact O-N 3.29Å; S150-R153 PolarHBondContact O-N 3.45Å; S150-I154 WeakPolarHBondContact O-CB 3.36Å; S150-I154 WeakPolarHBondContact O-CD1 3.42Å; S150-I154 WeakPolarHBondContact O-CG1 3.26Å; S150-I154 PolarHBondContact O-N 3.08Å
151	I	68.3	Low	71.7	Confident	102 Å²	102	127.2 Å²	127.2	52%	0.523	61%	0.614	S	S	.	*	H	α-helix	trans	-61.6	-45.9	179.7	-60.8	172.8	0	0	0	111.1	H148 R153 I154 A155	H148-I151 PolarHBondContact O-N 3.47Å; I151-R153 VanDerWaalsContact C-N 3.35Å; I151-R153 PolarHBondContact O-N 3.35Å; I151-I154 PolarHBondContact O-N 3.35Å; I151-A155 WeakPolarHBondContact O-CB 3.44Å; I151-A155 PolarHBondContact O-N 2.9Å
152	V	71.1	Confident	71.1	Confident	67 Å²	67	128.5 Å²	128.5	41%	0.406	61%	0.61	S	S	.	*	H	α-helix	trans	-64.8	-40	178.5	176	0	0	0	0	111.3	H148 S150 A155 I156	H148-V152 WeakPolarHBondContact O-CG2 3.5Å; H148-V152 PolarHBondContact O-N 3.39Å; H148-V152 VanDerWaalsContact O-N 3.11Å; S150-V152 PolarHBondContact O-N 3.29Å; V152-A155 PolarHBondContact O-N 3.29Å; V152-I156 HydrophobicContact CG1-CD1 4.03Å; V152-I156 WeakPolarHBondContact O-CG1 3.22Å; V152-I156 PolarHBondContact O-N 3.14Å; V152-I156 VanDerWaalsContact O-N 3.08Å
153	R	75.6	Confident	71	Confident	204 Å²	204	129 Å²	129	77%	0.77	62%	0.617	S	S	*	*	H	α-helix	trans	-65.6	-39.3	178.3	-146.7	177.3	-161.4	159	2.7	111.8	L149 S150 I151 H157	L149-R153 WeakPolarHBondContact O-CB 3.43Å; L149-R153 PolarHBondContact O-N 3.35Å; L149-R153 VanDerWaalsContact O-N 3.14Å; S150-R153 PolarHBondContact O-N 3.45Å; I151-R153 VanDerWaalsContact C-N 3.35Å; I151-R153 PolarHBondContact O-N 3.35Å; R153-H157 WeakPolarHBondContact O-CB 3.36Å; R153-H157 PolarHBondContact O-N 3.32Å; R153-H157 VanDerWaalsContact O-N 3.15Å
154	I	74.7	Confident	71	Confident	105 Å²	105	123.7 Å²	123.7	54%	0.538	60%	0.604	S	S	.	*	H	α-helix	trans	-66.4	-46.3	175.5	-67.4	163.3	0	0	0	110.5	S150 I151 I156 H157 V158	S150-I154 WeakPolarHBondContact O-CB 3.36Å; S150-I154 WeakPolarHBondContact O-CD1 3.42Å; S150-I154 WeakPolarHBondContact O-CG1 3.26Å; S150-I154 PolarHBondContact O-N 3.08Å; I151-I154 PolarHBondContact O-N 3.35Å; I154-I156 VanDerWaalsContact C-N 3.34Å; I154-I156 PolarHBondContact O-N 2.93Å; I154-H157 PolarHBondContact O-N 3.39Å; I154-H157 VanDerWaalsContact O-N 3.09Å; I154-V158 HydrophobicContact CG2-CG2 4.26Å; I154-V158 WeakPolarHBondContact O-CG2 3.44Å; I154-V158 PolarHBondContact O-N 3.47Å
155	A	75.2	Confident	71.3	Confident	52 Å²	52	127.9 Å²	127.9	43%	0.43	62%	0.62	S	S	.	*	H	α-helix	trans	-59.2	-44.1	-180	0	0	0	0	0	112.2	I151 V152 H157 V158 S159	I151-A155 WeakPolarHBondContact O-CB 3.44Å; I151-A155 PolarHBondContact O-N 2.9Å; V152-A155 PolarHBondContact O-N 3.29Å; A155-H157 VanDerWaalsContact C-N 3.34Å; A155-H157 PolarHBondContact O-N 3.41Å; A155-V158 PolarHBondContact O-N 2.92Å; A155-S159 PolarHBondContact O-N 3.15Å; A155-S159 VanDerWaalsContact O-N 3.14Å; A155-S159 PolarHBondContact O-OG 2.94Å
156	I	78.2	Confident	71.3	Confident	94 Å²	94	124.7 Å²	124.7	48%	0.482	61%	0.61	S	S	.	*	H	α-helix	trans	-60.7	-45.7	174.5	-67.7	169.7	0	0	0	110.2	V152 I154 V158 S159 Y160	V152-I156 HydrophobicContact CG1-CD1 4.03Å; V152-I156 WeakPolarHBondContact O-CG1 3.22Å; V152-I156 PolarHBondContact O-N 3.14Å; V152-I156 VanDerWaalsContact O-N 3.08Å; I154-I156 VanDerWaalsContact C-N 3.34Å; I154-I156 PolarHBondContact O-N 2.93Å; I156-V158 VanDerWaalsContact C-N 3.3Å; I156-V158 PolarHBondContact O-N 3.27Å; I156-S159 PolarHBondContact O-N 3.47Å; I156-Y160 HydrophobicContact CG2-CD2 3.84Å; I156-Y160 HydrophobicContact CG2-CE2 3.88Å; I156-Y160 VanDerWaalsContact O-CD2 3.26Å; I156-Y160 WeakPolarHBondContact O-CD2 3.4Å; I156-Y160 PolarHBondContact O-N 3.14Å
157	H	77.5	Confident	71.8	Confident	127 Å²	127	115.7 Å²	115.7	59%	0.588	59%	0.586	S	S	*	*	H	α-helix	trans	-68.4	-26.7	-176.8	-150.3	-71.3	0	0	0	114	R153 I154 A155	R153-H157 WeakPolarHBondContact O-CB 3.36Å; R153-H157 PolarHBondContact O-N 3.32Å; R153-H157 VanDerWaalsContact O-N 3.15Å; I154-H157 PolarHBondContact O-N 3.39Å; I154-H157 VanDerWaalsContact O-N 3.09Å; A155-H157 VanDerWaalsContact C-N 3.34Å; A155-H157 PolarHBondContact O-N 3.41Å
158	V	82.1	Confident	72.5	Confident	97 Å²	97	120.7 Å²	120.7	59%	0.588	59%	0.594	S	S	*	*	H	α-helix	trans	-77.6	-37.2	174.7	173.4	0	0	0	0	111.2	I154 A155 I156 Y160 R161	I154-V158 HydrophobicContact CG2-CG2 4.26Å; I154-V158 WeakPolarHBondContact O-CG2 3.44Å; I154-V158 PolarHBondContact O-N 3.47Å; A155-V158 PolarHBondContact O-N 2.92Å; I156-V158 VanDerWaalsContact C-N 3.3Å; I156-V158 PolarHBondContact O-N 3.27Å; V158-Y160 VanDerWaalsContact C-N 3.3Å; V158-Y160 PolarHBondContact O-N 3.09Å; V158-R161 PolarHBondContact O-N 3.44Å
159	S	76.2	Confident	73.4	Confident	101 Å²	101	123.2 Å²	123.2	71%	0.706	61%	0.608	S	S	*	*	H	α-helix	trans	-72.9	-18.4	179.4	-62.8	0	0	0	0	114.6	A155 I156	A155-S159 PolarHBondContact O-N 3.15Å; A155-S159 VanDerWaalsContact O-N 3.14Å; A155-S159 PolarHBondContact O-OG 2.94Å; I156-S159 PolarHBondContact O-N 3.47Å
160	Y	76.5	Confident	74.2	Confident	205 Å²	205	123.8 Å²	123.8	80%	0.804	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	4.4	177	-78.4	-75.3	0	0	0	114	I156 V158	I156-Y160 HydrophobicContact CG2-CD2 3.84Å; I156-Y160 HydrophobicContact CG2-CE2 3.88Å; I156-Y160 VanDerWaalsContact O-CD2 3.26Å; I156-Y160 WeakPolarHBondContact O-CD2 3.4Å; I156-Y160 PolarHBondContact O-N 3.14Å; V158-Y160 VanDerWaalsContact C-N 3.3Å; V158-Y160 PolarHBondContact O-N 3.09Å
161	R	66.3	Low	74.7	Confident	264 Å²	264	128.9 Å²	128.9	100%	0.996	62%	0.621	S	S	*	*			trans	-103.7	0	169.4	-90.1	-168	174	-166.8	-1.1	110.1	V158	V158-R161 PolarHBondContact O-N 3.44Å

Retrieved 161 of 161 residues in 133.4 ms (Link to these results)

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