A0A087WVA3_HUMAN Loading...

Zinc finger protein 33B

AlphaFold DB , UniProt , Accession A0A087WVA3, Species HUMAN (Homo sapiens, Human), Gene ZNF33B, Length 90 aa.

						>A0A087WVA3_HUMAN|A0A087WVA3|ZNF33B
MANATRRESEVDQKFQGSVSFKDVTVGFTQEEWQHLDPSQRALYRDVMLENYSNLVSVGYCAHKPEVIFRLEQGEEPWRLEEEFPSQSFP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	49.8	Very low	248 Å²	248	145.1 Å²	145.1	100%	1.222	76%	0.764	S	S	*	*				0	131.7	0	-81.8	162	178.5	0	0	108.5
2	A	42.7	Very low	49.7	Very low	91 Å²	91	144.4 Å²	144.4	75%	0.752	76%	0.761	S	S	*	*			trans	-48.7	165.8	168.1	0	0	0	0	0	111.8
3	N	45.6	Very low	49.8	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	76%	0.758	S	S	*	*			cis	-178.1	160.8	-7.9	50.7	-22	0	0	0	103.4
4	A	43.3	Very low	49.8	Very low	85 Å²	85	144.8 Å²	144.8	70%	0.702	75%	0.747	S	S	*	*			trans	169.3	92.9	135.8	0	0	0	0	0	110.3
5	T	56.3	Low	50.1	Low	96 Å²	96	149.3 Å²	149.3	59%	0.589	76%	0.759	S	S	*	*				54.2	86.6	124.2	-41.3	0	0	0	0	116.2	R7	T5-R7 VanDerWaalsContact C-N 3.34Å; T5-R7 HydrophobicContact CG2-CG 4.16Å; T5-R7 PolarHBondContact O-N 2.95Å
6	R	58.2	Low	50.9	Low	213 Å²	213	148.3 Å²	148.3	80%	0.804	75%	0.751	S	S	*	*			trans	-34.3	101.9	135.6	-176.1	-176.9	-152.3	-120.2	3.9	108.2	E8	R6-E8 PolarHBondContact O-N 2.97Å
7	R	59.1	Low	51.9	Low	215 Å²	215	142.9 Å²	142.9	81%	0.811	74%	0.742	S	S	*	*			trans	-82.6	103.2	163.4	-73.3	-167.8	176.2	86	-0.3	105.3	T5 S9	T5-R7 VanDerWaalsContact C-N 3.34Å; T5-R7 HydrophobicContact CG2-CG 4.16Å; T5-R7 PolarHBondContact O-N 2.95Å; R7-S9 PolarHBondContact O-N 3.32Å
8	E	52.6	Low	53.2	Low	128 Å²	128	140.5 Å²	140.5	60%	0.598	74%	0.739	S	S	*	*			trans	-44.5	106.6	160	-68.8	148	138.9	0	0	106.9	R6 E10	R6-E8 PolarHBondContact O-N 2.97Å; E8-E10 HydrophobicContact CB-CG 4.14Å; E8-E10 PolarHBondContact O-N 2.88Å
9	S	49.3	Very low	54.8	Low	107 Å²	107	136.2 Å²	136.2	75%	0.748	72%	0.719	S	S	*	*			trans	-66.3	78.5	143.7	55.1	0	0	0	0	104.2	R7 V11	R7-S9 PolarHBondContact O-N 3.32Å; S9-V11 PolarHBondContact O-N 2.84Å
10	E	49.5	Very low	56.4	Low	163 Å²	163	131.8 Å²	131.8	76%	0.762	70%	0.699	S	S	*	*			trans	-50.6	94.7	152.5	-86.4	171.5	94.4	0	0	103.4	E8 D12	E8-E10 HydrophobicContact CB-CG 4.14Å; E8-E10 PolarHBondContact O-N 2.88Å; E10-D12 PolarHBondContact O-N 2.76Å
11	V	55.7	Low	57.9	Low	104 Å²	104	126.7 Å²	126.7	63%	0.63	67%	0.672	S	S	*	*			trans	-52	104.3	154	-175	0	0	0	0	101	S9 Q13	S9-V11 PolarHBondContact O-N 2.84Å; V11-Q13 HydrophobicContact CB-CB 4.41Å; V11-Q13 HydrophobicContact CG1-CB 3.79Å; V11-Q13 PolarHBondContact O-N 2.78Å
12	D	49.1	Very low	60.4	Low	137 Å²	137	123.2 Å²	123.2	73%	0.733	65%	0.65	S	S	*	*			trans	-61.3	72.1	156.3	-161.5	-91.8	0	0	0	103.5	E10 K14	E10-D12 PolarHBondContact O-N 2.76Å; D12-K14 PolarHBondContact O-N 2.91Å
13	Q	50.9	Low	62.6	Low	155 Å²	155	124.2 Å²	124.2	72%	0.724	64%	0.642	S	S	*	*			trans	-74.6	74	168	-172	138.9	55.5	0	0	101.4	V11 F15	V11-Q13 HydrophobicContact CB-CB 4.41Å; V11-Q13 HydrophobicContact CG1-CB 3.79Å; V11-Q13 PolarHBondContact O-N 2.78Å; Q13-F15 PolarHBondContact O-N 2.64Å
14	K	49.8	Very low	64.7	Low	139 Å²	139	119.7 Å²	119.7	60%	0.604	62%	0.62	S	S	*	*			trans	-38.4	112.6	165.7	-133.1	173.8	-173	177.7	0	103.7	D12 Q16	D12-K14 PolarHBondContact O-N 2.91Å; K14-Q16 HydrophobicContact CB-CG 4.13Å; K14-Q16 HydrophobicContact CD-CG 4.17Å; K14-Q16 HydrophobicContact CG-CG 4.24Å; K14-Q16 PolarHBondContact O-N 2.88Å
15	F	53.6	Low	66.9	Low	212 Å²	212	117.4 Å²	117.4	93%	0.93	60%	0.597	S	S	*	*			trans	-64.5	68.5	163.4	-83.8	-94.1	0	0	0	106.3	Q13 G17	Q13-F15 PolarHBondContact O-N 2.64Å; F15-G17 PolarHBondContact O-N 3Å
16	Q	62.8	Low	68.5	Low	133 Å²	133	116.7 Å²	116.7	62%	0.621	59%	0.592	S	S	*	*			trans	-73.1	82.5	160.2	-78.7	-178	-33.9	0	0	103.8	K14 S18	K14-Q16 HydrophobicContact CB-CG 4.13Å; K14-Q16 HydrophobicContact CD-CG 4.17Å; K14-Q16 HydrophobicContact CG-CG 4.24Å; K14-Q16 PolarHBondContact O-N 2.88Å; Q16-S18 PolarHBondContact O-N 2.68Å
17	G	68.1	Low	69.9	Low	58 Å²	58	109.4 Å²	109.4	60%	0.598	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-48.7	130.4	169.6	0	0	0	0	0	108.2	F15 V19	F15-G17 PolarHBondContact O-N 3Å; G17-V19 PolarHBondContact O-N 2.94Å
18	S	76.1	Confident	71.4	Confident	99 Å²	99	101.8 Å²	101.8	69%	0.692	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-65.8	117.5	176.2	55.6	0	0	0	0	108.5	Q16 S20	Q16-S18 PolarHBondContact O-N 2.68Å; S18-S20 PolarHBondContact O-N 3.21Å
19	V	82.9	Confident	73.2	Confident	59 Å²	59	98.8 Å²	98.8	36%	0.358	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-75.5	123.2	171.7	179.6	0	0	0	0	107.8	G17 D23 V24 L55 Y60	G17-V19 PolarHBondContact O-N 2.94Å; V19-D23 HydrophobicContact CG1-CB 4.17Å; V19-V24 HydrophobicContact CG1-CG1 3.66Å; V19-L55 HydrophobicContact CB-CD2 4.46Å; V19-L55 HydrophobicContact CG1-CD2 3.9Å; V19-Y60 WeakPolarHBondContact O-CB 2.82Å
20	S	87.1	Confident	75.1	Confident	47 Å²	47	98 Å²	98	33%	0.329	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-95.8	166.7	174.2	78.9	0	0	0	0	111.3	S18 K22 D23	S18-S20 PolarHBondContact O-N 3.21Å; S20-K22 PolarHBondContact O-N 3.25Å; S20-K22 PolarHBondContact OG-N 2.67Å; S20-D23 WeakPolarHBondContact CA-OD2 3.23Å; S20-D23 VanDerWaalsContact CB-OD2 3.28Å; S20-D23 WeakPolarHBondContact CB-OD2 3.45Å; S20-D23 PolarHBondContact N-OD2 2.95Å; S20-D23 PolarHBondContact O-N 2.67Å; S20-D23 VanDerWaalsContact O-N 3.12Å; S20-D23 PolarHBondContact OG-OD2 2.77Å
21	F	87.5	Confident	77.1	Confident	26 Å²	26	96 Å²	96	11%	0.114	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-54.9	-39.2	173.3	-174.2	-109.3	0	0	0	112.1	D23 V24 T25 Y52 L55 P65 V67 I68	F21-D23 PolarHBondContact O-N 2.78Å; F21-V24 WeakPolarHBondContact O-CG2 3.45Å; F21-V24 PolarHBondContact O-N 3.49Å; F21-T25 HydrophobicContact CD1-CG2 3.61Å; F21-T25 HydrophobicContact CD2-CG2 3.81Å; F21-T25 HydrophobicContact CE1-CG2 3.3Å; F21-T25 HydrophobicContact CE2-CG2 3.48Å; F21-T25 VanDerWaalsContact CE2-CG2 3.48Å; F21-T25 HydrophobicContact CG-CG2 3.85Å; F21-T25 HydrophobicContact CZ-CG2 3.2Å; F21-T25 WeakPolarHBondContact O-CG2 3.4Å; F21-T25 PolarHBondContact O-N 2.94Å; F21-T25 PolarHBondContact O-OG1 3.14Å; F21-Y52 HydrophobicContact CD2-CD2 4.44Å; F21-L55 HydrophobicContact CB-CD1 4.09Å; F21-L55 HydrophobicContact CD2-CD1 3.84Å; F21-L55 HydrophobicContact CG-CD1 4.46Å; F21-P65 HydrophobicContact CB-CG 4.09Å; F21-P65 HydrophobicContact CD1-CB 3.88Å; F21-P65 HydrophobicContact CD1-CG 3.49Å; F21-P65 VanDerWaalsContact CD1-CG 3.49Å; F21-P65 HydrophobicContact CD2-CG 4.11Å; F21-P65 HydrophobicContact CE1-CB 3.98Å; F21-P65 HydrophobicContact CE1-CG 3.89Å; F21-P65 HydrophobicContact CE2-CG 4.5Å; F21-P65 HydrophobicContact CG-CB 4.5Å; F21-P65 HydrophobicContact CG-CG 3.62Å; F21-P65 HydrophobicContact CZ-CG 4.4Å; F21-V67 HydrophobicContact CE1-CG1 3.66Å; F21-V67 HydrophobicContact CZ-CG1 4.26Å; F21-I68 HydrophobicContact CE1-CD1 4.38Å; F21-I68 HydrophobicContact CE1-CG1 4.12Å; F21-I68 HydrophobicContact CE2-CD1 3.73Å; F21-I68 HydrophobicContact CE2-CG1 3.82Å; F21-I68 HydrophobicContact CZ-CD1 3.39Å; F21-I68 HydrophobicContact CZ-CG1 3.5Å; F21-I68 VanDerWaalsContact CZ-CG1 3.5Å
22	K	87.6	Confident	78.9	Confident	175 Å²	175	95.7 Å²	95.7	76%	0.761	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-62.8	-29.6	-179.7	-67.6	-178.4	176.3	-177.2	0	113.3	S20 V24 T25	S20-K22 PolarHBondContact O-N 3.25Å; S20-K22 PolarHBondContact OG-N 2.67Å; K22-V24 VanDerWaalsContact C-N 3.25Å; K22-V24 PolarHBondContact O-N 3.13Å; K22-T25 WeakPolarHBondContact CA-OG1 3.37Å; K22-T25 PolarHBondContact O-OG1 3.4Å
23	D	89.8	Confident	81	Confident	111 Å²	111	89.4 Å²	89.4	59%	0.594	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-74.8	-16.9	-177	-57.4	-56.5	0	0	0	112.9	V19 S20 F21	V19-D23 HydrophobicContact CG1-CB 4.17Å; S20-D23 WeakPolarHBondContact CA-OD2 3.23Å; S20-D23 VanDerWaalsContact CB-OD2 3.28Å; S20-D23 WeakPolarHBondContact CB-OD2 3.45Å; S20-D23 PolarHBondContact N-OD2 2.95Å; S20-D23 PolarHBondContact O-N 2.67Å; S20-D23 VanDerWaalsContact O-N 3.12Å; S20-D23 PolarHBondContact OG-OD2 2.77Å; F21-D23 PolarHBondContact O-N 2.78Å
24	V	89.3	Confident	82.9	Confident	52 Å²	52	86.9 Å²	86.9	32%	0.315	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-117.7	3.5	-177.1	-57.3	0	0	0	0	112.9	V19 F21 K22 N51 L55	V19-V24 HydrophobicContact CG1-CG1 3.66Å; F21-V24 WeakPolarHBondContact O-CG2 3.45Å; F21-V24 PolarHBondContact O-N 3.49Å; K22-V24 VanDerWaalsContact C-N 3.25Å; K22-V24 PolarHBondContact O-N 3.13Å; V24-N51 HydrophobicContact CG2-CB 4.25Å; V24-N51 PolarHBondContact O-ND2 3.27Å; V24-L55 HydrophobicContact CG2-CD1 3.4Å; V24-L55 VanDerWaalsContact CG2-CD1 3.4Å; V24-L55 HydrophobicContact CG2-CD2 4.4Å; V24-L55 HydrophobicContact CG2-CG 4.01Å
25	T	89.8	Confident	85.1	Confident	36 Å²	36	88 Å²	88	22%	0.221	48%	0.475	C	S	.	.			trans	-106.2	147.4	-176.4	56.5	0	0	0	0	112	F21 K22 M48	F21-T25 HydrophobicContact CD1-CG2 3.61Å; F21-T25 HydrophobicContact CD2-CG2 3.81Å; F21-T25 HydrophobicContact CE1-CG2 3.3Å; F21-T25 HydrophobicContact CE2-CG2 3.48Å; F21-T25 VanDerWaalsContact CE2-CG2 3.48Å; F21-T25 HydrophobicContact CG-CG2 3.85Å; F21-T25 HydrophobicContact CZ-CG2 3.2Å; F21-T25 WeakPolarHBondContact O-CG2 3.4Å; F21-T25 PolarHBondContact O-N 2.94Å; F21-T25 PolarHBondContact O-OG1 3.14Å; K22-T25 WeakPolarHBondContact CA-OG1 3.37Å; K22-T25 PolarHBondContact O-OG1 3.4Å; T25-M48 HydrophobicContact CG2-SD 3.71Å
26	V	89.2	Confident	87	Confident	81 Å²	81	78.9 Å²	78.9	49%	0.491	44%	0.436	S	S	.	.			trans	-89.7	127.5	165.2	-178.9	0	0	0	0	107.3	F28 Y44 M48	V26-F28 HydrophobicContact CG1-CE2 4.06Å; V26-F28 HydrophobicContact CG1-CZ 4.13Å; V26-Y44 VanDerWaalsContact O-CE2 3.3Å; V26-Y44 WeakPolarHBondContact O-CE2 3.42Å; V26-M48 HydrophobicContact CB-CE 4.4Å
27	G	88.3	Confident	88.6	Confident	61 Å²	61	75.8 Å²	75.8	63%	0.629	42%	0.424	S	S	*	.			trans	-99.8	137.1	169.7	0	0	0	0	0	109.5
28	F	90.6	Very high	89.9	Confident	55 Å²	55	78.4 Å²	78.4	24%	0.241	43%	0.43	C	S	.	.			trans	-108.7	148.7	165.1	-70	-75.5	0	0	0	108.2	V26 E32 W33 L36 Y44 W78	V26-F28 HydrophobicContact CG1-CE2 4.06Å; V26-F28 HydrophobicContact CG1-CZ 4.13Å; F28-E32 WeakPolarHBondContact CA-OE2 3.06Å; F28-E32 HydrophobicContact CB-CB 4.16Å; F28-E32 HydrophobicContact CD1-CB 3.99Å; F28-W33 HydrophobicContact CB-CB 4.47Å; F28-W33 HydrophobicContact CB-CE3 4.37Å; F28-W33 HydrophobicContact CD2-CE3 4.08Å; F28-W33 HydrophobicContact CD2-CZ3 4.27Å; F28-W33 HydrophobicContact CG-CE3 4.47Å; F28-L36 HydrophobicContact CD1-CD1 4.33Å; F28-L36 HydrophobicContact CD2-CD1 3.93Å; F28-L36 HydrophobicContact CE1-CD1 4.25Å; F28-L36 HydrophobicContact CE1-CD2 4.01Å; F28-L36 HydrophobicContact CE2-CD1 3.83Å; F28-L36 HydrophobicContact CG-CD1 4.17Å; F28-L36 HydrophobicContact CZ-CD1 4Å; F28-L36 HydrophobicContact CZ-CD2 4.16Å; F28-Y44 AromaticContact CD2-CD2 3.82Å; F28-Y44 HydrophobicContact CD2-CD2 3.82Å; F28-Y44 AromaticContact CD2-CE2 3.86Å; F28-Y44 HydrophobicContact CD2-CE2 3.86Å; F28-Y44 AromaticContact CE2-CD2 3.61Å; F28-Y44 HydrophobicContact CE2-CD2 3.61Å; F28-Y44 HydrophobicContact CE2-CE2 4.06Å; F28-Y44 HydrophobicContact CE2-CG 4.45Å; F28-W78 WeakPolarHBondContact O-CH2 3.26Å; F28-W78 WeakPolarHBondContact O-CZ2 3.37Å
29	T	90.4	Very high	90.9	Very high	64 Å²	64	77.6 Å²	77.6	39%	0.393	42%	0.424	S	S	.	.			trans	-71.1	168.7	162.2	79.6	0	0	0	0	110.4	E31 E32 W33	T29-E31 VanDerWaalsContact CB-OE2 3.31Å; T29-E31 WeakPolarHBondContact CB-OE2 3.41Å; T29-E31 PolarHBondContact O-N 3.44Å; T29-E31 PolarHBondContact OG1-N 3.37Å; T29-E31 PolarHBondContact OG1-OE2 3.47Å; T29-E32 PolarHBondContact N-OE2 2.94Å; T29-E32 PolarHBondContact O-N 2.85Å; T29-E32 PolarHBondContact OG1-N 3.01Å; T29-E32 VanDerWaalsContact OG1-N 3.16Å; T29-W33 WeakPolarHBondContact O-CB 3.44Å; T29-W33 PolarHBondContact O-N 3.22Å
30	Q	88.8	Confident	91.5	Very high	91 Å²	91	78.9 Å²	78.9	43%	0.425	43%	0.427	S	S	.	.	H	α-helix	trans	-59.6	-40.1	173.8	-175.1	177.3	-1.2	0	0	111	W33 Q34	Q30-W33 WeakPolarHBondContact O-CB 3.34Å; Q30-W33 PolarHBondContact O-N 2.77Å; Q30-Q34 WeakPolarHBondContact O-CG 3.39Å; Q30-Q34 PolarHBondContact O-N 3.27Å; Q30-Q34 VanDerWaalsContact O-N 3.12Å
31	E	91.5	Very high	91.9	Very high	120 Å²	120	79.6 Å²	79.6	56%	0.561	42%	0.422	S	S	*	.	H	α-helix	trans	-64.8	-48.1	177.8	-58.5	69.4	-149.1	0	0	110.8	T29 W33 Q34 H35	T29-E31 VanDerWaalsContact CB-OE2 3.31Å; T29-E31 WeakPolarHBondContact CB-OE2 3.41Å; T29-E31 PolarHBondContact O-N 3.44Å; T29-E31 PolarHBondContact OG1-N 3.37Å; T29-E31 PolarHBondContact OG1-OE2 3.47Å; E31-W33 VanDerWaalsContact C-N 3.29Å; E31-W33 PolarHBondContact O-N 2.69Å; E31-Q34 PolarHBondContact O-N 2.77Å; E31-H35 PolarHBondContact O-N 3.2Å; E31-H35 PolarHBondContact O-ND1 2.98Å
32	E	93.9	Very high	92.2	Very high	98 Å²	98	80.6 Å²	80.6	46%	0.458	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-40.5	177.3	-67.8	174.5	147.7	0	0	111.4	F28 T29 Q34 H35 L36	F28-E32 WeakPolarHBondContact CA-OE2 3.06Å; F28-E32 HydrophobicContact CB-CB 4.16Å; F28-E32 HydrophobicContact CD1-CB 3.99Å; T29-E32 PolarHBondContact N-OE2 2.94Å; T29-E32 PolarHBondContact O-N 2.85Å; T29-E32 PolarHBondContact OG1-N 3.01Å; T29-E32 VanDerWaalsContact OG1-N 3.16Å; E32-Q34 VanDerWaalsContact C-N 3.31Å; E32-Q34 PolarHBondContact O-N 3.49Å; E32-H35 PolarHBondContact O-N 3.19Å; E32-H35 VanDerWaalsContact O-N 3.09Å; E32-L36 PolarHBondContact O-N 2.97Å
33	W	92.4	Very high	92.6	Very high	5 Å²	5	77.5 Å²	77.5	2%	0.019	43%	0.426	C	S	.	.	H	α-helix	trans	-58.9	-40.7	176.2	-174.7	-96.6	0	0	0	112.5	F28 T29 Q30 E31 H35 L36 R41 Y44 E76 P77 W78	F28-W33 HydrophobicContact CB-CB 4.47Å; F28-W33 HydrophobicContact CB-CE3 4.37Å; F28-W33 HydrophobicContact CD2-CE3 4.08Å; F28-W33 HydrophobicContact CD2-CZ3 4.27Å; F28-W33 HydrophobicContact CG-CE3 4.47Å; T29-W33 WeakPolarHBondContact O-CB 3.44Å; T29-W33 PolarHBondContact O-N 3.22Å; Q30-W33 WeakPolarHBondContact O-CB 3.34Å; Q30-W33 PolarHBondContact O-N 2.77Å; E31-W33 VanDerWaalsContact C-N 3.29Å; E31-W33 PolarHBondContact O-N 2.69Å; W33-H35 PolarHBondContact O-N 3.12Å; W33-L36 HydrophobicContact CD2-CD1 4.22Å; W33-L36 HydrophobicContact CE3-CD1 3.55Å; W33-L36 HydrophobicContact CZ3-CD1 3.78Å; W33-L36 WeakPolarHBondContact O-CB 3.43Å; W33-L36 PolarHBondContact O-N 3.14Å; W33-L36 VanDerWaalsContact O-N 3.11Å; W33-R41 HydrophobicContact CH2-CB 4Å; W33-R41 HydrophobicContact CH2-CG 4.01Å; W33-R41 HydrophobicContact CZ2-CB 3.91Å; W33-R41 HydrophobicContact CZ2-CG 3.69Å; W33-R41 PolarHBondContact O-NE 3.01Å; W33-R41 PolarHBondContact O-NH2 2.87Å; W33-Y44 AromaticContact CH2-CD1 3.42Å; W33-Y44 HydrophobicContact CH2-CD1 3.42Å; W33-Y44 VanDerWaalsContact CH2-CD1 3.42Å; W33-Y44 HydrophobicContact CH2-CE1 4.03Å; W33-Y44 AromaticContact CH2-CG 3.9Å; W33-Y44 HydrophobicContact CH2-CG 3.9Å; W33-Y44 AromaticContact CZ3-CD1 3.34Å; W33-Y44 HydrophobicContact CZ3-CD1 3.34Å; W33-Y44 HydrophobicContact CZ3-CD2 4.1Å; W33-Y44 AromaticContact CZ3-CE1 3.77Å; W33-Y44 HydrophobicContact CZ3-CE1 3.77Å; W33-Y44 HydrophobicContact CZ3-CE2 4.43Å; W33-Y44 AromaticContact CZ3-CG 3.51Å; W33-Y44 HydrophobicContact CZ3-CG 3.51Å; W33-E76 PolarHBondContact NE1-OE1 2.8Å; W33-P77 HydrophobicContact CD2-CG 4.26Å; W33-P77 VanDerWaalsContact CE2-CD 3.48Å; W33-P77 HydrophobicContact CE3-CG 4.12Å; W33-P77 HydrophobicContact CH2-CG 3.62Å; W33-P77 HydrophobicContact CZ2-CG 3.75Å; W33-P77 HydrophobicContact CZ3-CG 3.82Å; W33-W78 AromaticContact CD1-CD1 3.99Å; W33-W78 AromaticContact CG-CD1 3.67Å; W33-W78 AromaticContact CG-NE1 3.96Å
34	Q	91.4	Very high	92.9	Very high	103 Å²	103	73.1 Å²	73.1	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-26.9	178	-67.5	-51.7	-31.7	0	0	113	Q30 E31 E32 L36 R41	Q30-Q34 WeakPolarHBondContact O-CG 3.39Å; Q30-Q34 PolarHBondContact O-N 3.27Å; Q30-Q34 VanDerWaalsContact O-N 3.12Å; E31-Q34 PolarHBondContact O-N 2.77Å; E32-Q34 VanDerWaalsContact C-N 3.31Å; E32-Q34 PolarHBondContact O-N 3.49Å; Q34-L36 VanDerWaalsContact C-N 3.33Å; Q34-R41 PolarHBondContact O-NH2 2.7Å
35	H	95.3	Very high	93.2	Very high	161 Å²	161	75 Å²	75	75%	0.745	40%	0.403	S	S	*	.	H	α-helix	trans	-82.6	-9.7	176.7	-65.7	87.6	0	0	0	113.4	E31 E32 W33	E31-H35 PolarHBondContact O-N 3.2Å; E31-H35 PolarHBondContact O-ND1 2.98Å; E32-H35 PolarHBondContact O-N 3.19Å; E32-H35 VanDerWaalsContact O-N 3.09Å; W33-H35 PolarHBondContact O-N 3.12Å
36	L	94.3	Very high	93.5	Very high	22 Å²	22	78.1 Å²	78.1	12%	0.115	42%	0.418	C	S	.	.			trans	-73.3	133.1	176.2	-61.1	-177.6	0	0	0	111.2	F28 E32 W33 Q34 Q40 R41	F28-L36 HydrophobicContact CD1-CD1 4.33Å; F28-L36 HydrophobicContact CD2-CD1 3.93Å; F28-L36 HydrophobicContact CE1-CD1 4.25Å; F28-L36 HydrophobicContact CE1-CD2 4.01Å; F28-L36 HydrophobicContact CE2-CD1 3.83Å; F28-L36 HydrophobicContact CG-CD1 4.17Å; F28-L36 HydrophobicContact CZ-CD1 4Å; F28-L36 HydrophobicContact CZ-CD2 4.16Å; E32-L36 PolarHBondContact O-N 2.97Å; W33-L36 HydrophobicContact CD2-CD1 4.22Å; W33-L36 HydrophobicContact CE3-CD1 3.55Å; W33-L36 HydrophobicContact CZ3-CD1 3.78Å; W33-L36 WeakPolarHBondContact O-CB 3.43Å; W33-L36 PolarHBondContact O-N 3.14Å; W33-L36 VanDerWaalsContact O-N 3.11Å; Q34-L36 VanDerWaalsContact C-N 3.33Å; L36-Q40 VanDerWaalsContact CA-OE1 3.31Å; L36-Q40 HydrophobicContact CB-CB 4.04Å; L36-Q40 HydrophobicContact CD2-CB 4.15Å; L36-R41 HydrophobicContact CB-CG 3.78Å; L36-R41 HydrophobicContact CD1-CG 4.41Å; L36-R41 PolarHBondContact O-NE 3.43Å; L36-R41 PolarHBondContact O-NH2 3.1Å
37	D	96.6	Very high	93.8	Very high	68 Å²	68	77 Å²	77	36%	0.364	41%	0.411	S	S	.	.			trans	-74.1	163.5	171.5	76.1	71.2	0	0	0	111.5	S39 Q40 R41	D37-S39 PolarHBondContact O-N 3.24Å; D37-S39 VanDerWaalsContact O-N 3.15Å; D37-S39 WeakPolarHBondContact OD1-CA 3.38Å; D37-S39 VanDerWaalsContact OD1-CB 3.26Å; D37-S39 WeakPolarHBondContact OD1-CB 3.38Å; D37-S39 PolarHBondContact OD1-N 2.94Å; D37-S39 PolarHBondContact OD1-OG 3.01Å; D37-Q40 VanDerWaalsContact N-OE1 3.11Å; D37-Q40 WeakPolarHBondContact O-CB 3.28Å; D37-Q40 PolarHBondContact O-N 3.27Å; D37-Q40 PolarHBondContact OD1-N 3.32Å; D37-Q40 VanDerWaalsContact OD2-CG 3.24Å; D37-Q40 WeakPolarHBondContact OD2-CG 3.41Å; D37-Q40 PolarHBondContact OD2-OE1 3.25Å; D37-R41 PolarHBondContact O-N 2.63Å
38	P	95	Very high	94.1	Very high	112 Å²	112	74.1 Å²	74.1	73%	0.727	38%	0.382	S	S	*	.	H	α-helix	trans	-56.1	-33.1	-177.2	-27.9	36.3	0	0	0	114.6	A42	P38-A42 WeakPolarHBondContact O-CB 3.39Å; P38-A42 PolarHBondContact O-N 2.83Å
39	S	96.8	Very high	94.3	Very high	82 Å²	82	73.6 Å²	73.6	57%	0.573	38%	0.381	S	S	*	.	H	α-helix	trans	-71.8	-36.5	178.5	76.1	0	0	0	0	111.8	D37 A42 L43	D37-S39 PolarHBondContact O-N 3.24Å; D37-S39 VanDerWaalsContact O-N 3.15Å; D37-S39 WeakPolarHBondContact OD1-CA 3.38Å; D37-S39 VanDerWaalsContact OD1-CB 3.26Å; D37-S39 WeakPolarHBondContact OD1-CB 3.38Å; D37-S39 PolarHBondContact OD1-N 2.94Å; D37-S39 PolarHBondContact OD1-OG 3.01Å; S39-A42 PolarHBondContact O-N 3.35Å; S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 PolarHBondContact O-N 3.05Å
40	Q	95.9	Very high	94.5	Very high	87 Å²	87	76.4 Å²	76.4	41%	0.407	39%	0.39	S	S	.	.	H	α-helix	trans	-67.8	-40.2	174	-70	176	-30.9	0	0	112.1	L36 D37 L43 Y44	L36-Q40 VanDerWaalsContact CA-OE1 3.31Å; L36-Q40 HydrophobicContact CB-CB 4.04Å; L36-Q40 HydrophobicContact CD2-CB 4.15Å; D37-Q40 VanDerWaalsContact N-OE1 3.11Å; D37-Q40 WeakPolarHBondContact O-CB 3.28Å; D37-Q40 PolarHBondContact O-N 3.27Å; D37-Q40 PolarHBondContact OD1-N 3.32Å; D37-Q40 VanDerWaalsContact OD2-CG 3.24Å; D37-Q40 WeakPolarHBondContact OD2-CG 3.41Å; D37-Q40 PolarHBondContact OD2-OE1 3.25Å; Q40-L43 PolarHBondContact O-N 3.47Å; Q40-Y44 WeakPolarHBondContact O-CB 3.48Å; Q40-Y44 PolarHBondContact O-N 3.43Å
41	R	94.8	Very high	94.8	Very high	62 Å²	62	73.7 Å²	73.7	23%	0.234	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-39.2	175.4	-64	-176.7	-169.3	-170	3.7	112	W33 Q34 L36 D37 Y44 R45 E76	W33-R41 HydrophobicContact CH2-CB 4Å; W33-R41 HydrophobicContact CH2-CG 4.01Å; W33-R41 HydrophobicContact CZ2-CB 3.91Å; W33-R41 HydrophobicContact CZ2-CG 3.69Å; W33-R41 PolarHBondContact O-NE 3.01Å; W33-R41 PolarHBondContact O-NH2 2.87Å; Q34-R41 PolarHBondContact O-NH2 2.7Å; L36-R41 HydrophobicContact CB-CG 3.78Å; L36-R41 HydrophobicContact CD1-CG 4.41Å; L36-R41 PolarHBondContact O-NE 3.43Å; L36-R41 PolarHBondContact O-NH2 3.1Å; D37-R41 PolarHBondContact O-N 2.63Å; R41-Y44 PolarHBondContact O-N 3.39Å; R41-R45 PolarHBondContact O-N 2.94Å; R41-R45 VanDerWaalsContact O-N 3.11Å; R41-E76 IonicContact CZ-OE1 3.71Å; R41-E76 IonicContact NH1-OE1 2.77Å; R41-E76 PolarHBondContact NH1-OE1 3.33Å
42	A	95.1	Very high	94.9	Very high	47 Å²	47	69.6 Å²	69.6	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-47.1	173.5	0	0	0	0	0	111.4	P38 S39 Y44 R45 D46	P38-A42 WeakPolarHBondContact O-CB 3.39Å; P38-A42 PolarHBondContact O-N 2.83Å; S39-A42 PolarHBondContact O-N 3.35Å; A42-Y44 VanDerWaalsContact C-N 3.32Å; A42-Y44 PolarHBondContact O-N 3.38Å; A42-R45 WeakPolarHBondContact O-CB 3.45Å; A42-R45 PolarHBondContact O-N 3.41Å; A42-R45 VanDerWaalsContact O-N 3.14Å; A42-D46 PolarHBondContact O-N 3.02Å
43	L	96.3	Very high	94.8	Very high	109 Å²	109	68 Å²	68	57%	0.571	36%	0.357	S	S	*	.	H	α-helix	trans	-59.8	-42.4	176.5	-179.2	63.4	0	0	0	112	S39 Q40 R45 D46 V47	S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 PolarHBondContact O-N 3.05Å; Q40-L43 PolarHBondContact O-N 3.47Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 2.9Å; L43-D46 PolarHBondContact O-N 2.79Å; L43-V47 HydrophobicContact CD1-CG2 3.94Å; L43-V47 HydrophobicContact CG-CG2 4.23Å; L43-V47 WeakPolarHBondContact O-CB 3.27Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.46Å; L43-V47 PolarHBondContact O-N 3.29Å
44	Y	95.4	Very high	94.9	Very high	20 Å²	20	71.4 Å²	71.4	8%	0.078	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-48.4	174.6	174.7	-95.5	0	0	0	111.7	V26 F28 W33 Q40 R41 A42 D46 V47 M48 L71 P77	V26-Y44 VanDerWaalsContact O-CE2 3.3Å; V26-Y44 WeakPolarHBondContact O-CE2 3.42Å; F28-Y44 AromaticContact CD2-CD2 3.82Å; F28-Y44 HydrophobicContact CD2-CD2 3.82Å; F28-Y44 AromaticContact CD2-CE2 3.86Å; F28-Y44 HydrophobicContact CD2-CE2 3.86Å; F28-Y44 AromaticContact CE2-CD2 3.61Å; F28-Y44 HydrophobicContact CE2-CD2 3.61Å; F28-Y44 HydrophobicContact CE2-CE2 4.06Å; F28-Y44 HydrophobicContact CE2-CG 4.45Å; W33-Y44 AromaticContact CH2-CD1 3.42Å; W33-Y44 HydrophobicContact CH2-CD1 3.42Å; W33-Y44 VanDerWaalsContact CH2-CD1 3.42Å; W33-Y44 HydrophobicContact CH2-CE1 4.03Å; W33-Y44 AromaticContact CH2-CG 3.9Å; W33-Y44 HydrophobicContact CH2-CG 3.9Å; W33-Y44 AromaticContact CZ3-CD1 3.34Å; W33-Y44 HydrophobicContact CZ3-CD1 3.34Å; W33-Y44 HydrophobicContact CZ3-CD2 4.1Å; W33-Y44 AromaticContact CZ3-CE1 3.77Å; W33-Y44 HydrophobicContact CZ3-CE1 3.77Å; W33-Y44 HydrophobicContact CZ3-CE2 4.43Å; W33-Y44 AromaticContact CZ3-CG 3.51Å; W33-Y44 HydrophobicContact CZ3-CG 3.51Å; Q40-Y44 WeakPolarHBondContact O-CB 3.48Å; Q40-Y44 PolarHBondContact O-N 3.43Å; R41-Y44 PolarHBondContact O-N 3.39Å; A42-Y44 VanDerWaalsContact C-N 3.32Å; A42-Y44 PolarHBondContact O-N 3.38Å; Y44-D46 PolarHBondContact O-N 3.39Å; Y44-V47 PolarHBondContact O-N 3.09Å; Y44-M48 HydrophobicContact CD1-CG 4.03Å; Y44-M48 HydrophobicContact CD2-CE 4.47Å; Y44-M48 HydrophobicContact CD2-CG 3.94Å; Y44-M48 HydrophobicContact CE1-CG 3.65Å; Y44-M48 HydrophobicContact CE2-CE 4.28Å; Y44-M48 HydrophobicContact CE2-CG 3.58Å; Y44-M48 HydrophobicContact CE2-SD 3.9Å; Y44-M48 HydrophobicContact CG-CG 4.19Å; Y44-M48 VanDerWaalsContact CZ-CG 3.42Å; Y44-M48 WeakPolarHBondContact O-CB 3.31Å; Y44-M48 VanDerWaalsContact O-CG 3.24Å; Y44-M48 WeakPolarHBondContact O-CG 3.35Å; Y44-M48 PolarHBondContact O-N 3.11Å; Y44-L71 HydrophobicContact CD1-CD1 4.38Å; Y44-L71 HydrophobicContact CD1-CD2 4.31Å; Y44-L71 HydrophobicContact CE1-CD1 3.92Å; Y44-L71 HydrophobicContact CE1-CD2 4.25Å; Y44-P77 HydrophobicContact CD1-CG 4.2Å; Y44-P77 HydrophobicContact CE1-CB 4.37Å; Y44-P77 HydrophobicContact CE1-CG 3.55Å
45	R	94.8	Very high	94.9	Very high	92 Å²	92	67 Å²	67	35%	0.347	36%	0.356	S	S	.	.	H	α-helix	trans	-56	-51.3	177.7	178.2	-176.3	-173	-164.9	0.8	110.9	R41 A42 L43 M48 L49 L71 E72	R41-R45 PolarHBondContact O-N 2.94Å; R41-R45 VanDerWaalsContact O-N 3.11Å; A42-R45 WeakPolarHBondContact O-CB 3.45Å; A42-R45 PolarHBondContact O-N 3.41Å; A42-R45 VanDerWaalsContact O-N 3.14Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 2.9Å; R45-M48 PolarHBondContact O-N 3.41Å; R45-L49 HydrophobicContact CG-CD1 3.88Å; R45-L49 HydrophobicContact CG-CG 4.48Å; R45-L49 WeakPolarHBondContact O-CB 3.17Å; R45-L49 VanDerWaalsContact O-CG 3.27Å; R45-L49 WeakPolarHBondContact O-CG 3.4Å; R45-L49 PolarHBondContact O-N 3.39Å; R45-L71 HydrophobicContact CB-CD2 4.08Å; R45-L71 HydrophobicContact CG-CB 4.28Å; R45-L71 HydrophobicContact CG-CD2 4.09Å; R45-L71 VanDerWaalsContact CZ-O 3.29Å; R45-L71 PolarHBondContact NE-O 3.23Å; R45-L71 PolarHBondContact NH2-O 3.37Å; R45-E72 PolarHBondContact NH2-O 3.12Å
46	D	96.1	Very high	94.6	Very high	100 Å²	100	62.6 Å²	62.6	54%	0.535	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-47.9	-177	-66.8	-18.1	0	0	0	111.2	A42 L43 Y44 M48 L49 E50	A42-D46 PolarHBondContact O-N 3.02Å; L43-D46 PolarHBondContact O-N 2.79Å; Y44-D46 PolarHBondContact O-N 3.39Å; D46-M48 PolarHBondContact O-N 3.22Å; D46-L49 PolarHBondContact O-N 3.39Å; D46-E50 WeakPolarHBondContact O-CB 3.36Å; D46-E50 PolarHBondContact O-N 3.03Å
47	V	95.3	Very high	94.4	Very high	57 Å²	57	66 Å²	66	35%	0.345	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-42.6	179.5	175.6	0	0	0	0	111.5	L43 Y44 E50 N51	L43-V47 HydrophobicContact CD1-CG2 3.94Å; L43-V47 HydrophobicContact CG-CG2 4.23Å; L43-V47 WeakPolarHBondContact O-CB 3.27Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.46Å; L43-V47 PolarHBondContact O-N 3.29Å; Y44-V47 PolarHBondContact O-N 3.09Å; V47-E50 PolarHBondContact O-N 2.82Å; V47-N51 WeakPolarHBondContact O-CB 2.98Å; V47-N51 PolarHBondContact O-N 3.24Å; V47-N51 PolarHBondContact O-ND2 3.24Å; V47-N51 PolarHBondContact O-OD1 3.45Å
48	M	94.4	Very high	94.1	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-66.8	-40.6	179.9	-71.2	-54.1	98	0	0	112.1	T25 V26 Y44 R45 D46 N51 Y52 I68 L71	T25-M48 HydrophobicContact CG2-SD 3.71Å; V26-M48 HydrophobicContact CB-CE 4.4Å; Y44-M48 HydrophobicContact CD1-CG 4.03Å; Y44-M48 HydrophobicContact CD2-CE 4.47Å; Y44-M48 HydrophobicContact CD2-CG 3.94Å; Y44-M48 HydrophobicContact CE1-CG 3.65Å; Y44-M48 HydrophobicContact CE2-CE 4.28Å; Y44-M48 HydrophobicContact CE2-CG 3.58Å; Y44-M48 HydrophobicContact CE2-SD 3.9Å; Y44-M48 HydrophobicContact CG-CG 4.19Å; Y44-M48 VanDerWaalsContact CZ-CG 3.42Å; Y44-M48 WeakPolarHBondContact O-CB 3.31Å; Y44-M48 VanDerWaalsContact O-CG 3.24Å; Y44-M48 WeakPolarHBondContact O-CG 3.35Å; Y44-M48 PolarHBondContact O-N 3.11Å; R45-M48 PolarHBondContact O-N 3.41Å; D46-M48 PolarHBondContact O-N 3.22Å; M48-N51 PolarHBondContact O-N 3.35Å; M48-Y52 PolarHBondContact O-N 3.31Å; M48-I68 HydrophobicContact CB-CD1 4.21Å; M48-I68 VanDerWaalsContact O-CD1 3.31Å; M48-I68 WeakPolarHBondContact O-CD1 3.35Å; M48-L71 HydrophobicContact CB-CD1 3.57Å; M48-L71 HydrophobicContact CG-CD1 4.08Å
49	L	94.8	Very high	93.6	Very high	44 Å²	44	65 Å²	65	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-41.8	176.1	-69.4	175.5	0	0	0	111.5	R45 D46 Y52 S53 I68 L71 E72	R45-L49 HydrophobicContact CG-CD1 3.88Å; R45-L49 HydrophobicContact CG-CG 4.48Å; R45-L49 WeakPolarHBondContact O-CB 3.17Å; R45-L49 VanDerWaalsContact O-CG 3.27Å; R45-L49 WeakPolarHBondContact O-CG 3.4Å; R45-L49 PolarHBondContact O-N 3.39Å; D46-L49 PolarHBondContact O-N 3.39Å; L49-Y52 PolarHBondContact O-N 3.24Å; L49-S53 WeakPolarHBondContact O-CB 3.47Å; L49-S53 PolarHBondContact O-N 2.78Å; L49-I68 HydrophobicContact CD2-CD1 4.46Å; L49-I68 HydrophobicContact CD2-CG2 4.26Å; L49-L71 HydrophobicContact CD2-CB 4.13Å; L49-L71 HydrophobicContact CG-CB 4.38Å; L49-E72 HydrophobicContact CD2-CG 3.61Å
50	E	95.7	Very high	92.8	Very high	122 Å²	122	65.9 Å²	65.9	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-62.4	-45.5	175.3	-169	-176.6	129.5	0	0	111.3	D46 V47 Y52 S53 N54	D46-E50 WeakPolarHBondContact O-CB 3.36Å; D46-E50 PolarHBondContact O-N 3.03Å; V47-E50 PolarHBondContact O-N 2.82Å; E50-Y52 VanDerWaalsContact C-N 3.33Å; E50-Y52 PolarHBondContact O-N 2.98Å; E50-S53 WeakPolarHBondContact O-CB 3.49Å; E50-S53 PolarHBondContact O-N 2.97Å; E50-N54 WeakPolarHBondContact O-CB 3.5Å; E50-N54 PolarHBondContact O-N 2.53Å; E50-N54 PolarHBondContact O-ND2 3.32Å
51	N	94.2	Very high	91.8	Very high	34 Å²	34	63 Å²	63	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-42	178	-72.3	-8.8	0	0	0	112.1	V24 V47 M48 N54 L55	V24-N51 HydrophobicContact CG2-CB 4.25Å; V24-N51 PolarHBondContact O-ND2 3.27Å; V47-N51 WeakPolarHBondContact O-CB 2.98Å; V47-N51 PolarHBondContact O-N 3.24Å; V47-N51 PolarHBondContact O-ND2 3.24Å; V47-N51 PolarHBondContact O-OD1 3.45Å; M48-N51 PolarHBondContact O-N 3.35Å; N51-N54 PolarHBondContact O-N 3.41Å; N51-L55 WeakPolarHBondContact O-CG 3.1Å; N51-L55 PolarHBondContact O-N 2.68Å
52	Y	93.7	Very high	90.7	Very high	34 Å²	34	64.6 Å²	64.6	13%	0.133	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-47.8	174.4	176.1	-107.2	0	0	0	112	F21 M48 L49 E50 N54 L55 V56 C61 K64 P65 I68	F21-Y52 HydrophobicContact CD2-CD2 4.44Å; M48-Y52 PolarHBondContact O-N 3.31Å; L49-Y52 PolarHBondContact O-N 3.24Å; E50-Y52 VanDerWaalsContact C-N 3.33Å; E50-Y52 PolarHBondContact O-N 2.98Å; Y52-N54 VanDerWaalsContact C-N 3.29Å; Y52-N54 PolarHBondContact O-N 2.77Å; Y52-L55 PolarHBondContact O-N 2.88Å; Y52-V56 HydrophobicContact CD1-CG2 4.33Å; Y52-V56 HydrophobicContact CD2-CG2 4.26Å; Y52-V56 HydrophobicContact CE1-CG2 3.87Å; Y52-V56 HydrophobicContact CE2-CG2 3.77Å; Y52-V56 WeakPolarHBondContact O-CG2 3.39Å; Y52-V56 PolarHBondContact O-N 3.48Å; Y52-C61 HydrophobicContact CE2-CB 4.07Å; Y52-K64 HydrophobicContact CE1-CG 4.42Å; Y52-K64 HydrophobicContact CE2-CB 4.49Å; Y52-K64 HydrophobicContact CE2-CG 4.34Å; Y52-K64 WeakPolarHBondContact OH-CE 3.31Å; Y52-P65 HydrophobicContact CD2-CG 4.46Å; Y52-I68 HydrophobicContact CD1-CG2 3.65Å; Y52-I68 HydrophobicContact CD2-CG1 4.09Å; Y52-I68 HydrophobicContact CD2-CG2 4.3Å; Y52-I68 HydrophobicContact CE1-CG2 4.02Å; Y52-I68 HydrophobicContact CG-CB 4.44Å; Y52-I68 HydrophobicContact CG-CD1 4.28Å; Y52-I68 HydrophobicContact CG-CG1 3.95Å; Y52-I68 HydrophobicContact CG-CG2 3.8Å
53	S	93.6	Very high	90.2	Very high	64 Å²	64	70.1 Å²	70.1	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-57.4	-43.5	177.4	-179.1	0	0	0	0	111.9	L49 E50 V56 S57	L49-S53 WeakPolarHBondContact O-CB 3.47Å; L49-S53 PolarHBondContact O-N 2.78Å; E50-S53 WeakPolarHBondContact O-CB 3.49Å; E50-S53 PolarHBondContact O-N 2.97Å; S53-V56 PolarHBondContact O-N 3.03Å; S53-S57 WeakPolarHBondContact O-CB 3.45Å; S53-S57 PolarHBondContact O-N 3.39Å; S53-S57 PolarHBondContact O-OG 3.41Å
54	N	93.6	Very high	89.8	Confident	78 Å²	78	69.3 Å²	69.3	42%	0.417	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-47.3	176.9	-70.9	-21	0	0	0	111	E50 N51 Y52 V56 S57 V58	E50-N54 WeakPolarHBondContact O-CB 3.5Å; E50-N54 PolarHBondContact O-N 2.53Å; E50-N54 PolarHBondContact O-ND2 3.32Å; N51-N54 PolarHBondContact O-N 3.41Å; Y52-N54 VanDerWaalsContact C-N 3.29Å; Y52-N54 PolarHBondContact O-N 2.77Å; N54-V56 PolarHBondContact O-N 3.3Å; N54-S57 WeakPolarHBondContact O-CB 3.24Å; N54-S57 PolarHBondContact O-N 2.89Å; N54-S57 VanDerWaalsContact O-N 3.14Å; N54-V58 WeakPolarHBondContact O-CG2 3.3Å; N54-V58 PolarHBondContact O-N 3.49Å; N54-V58 VanDerWaalsContact O-N 3.13Å
55	L	91.1	Very high	89.6	Confident	10 Å²	10	69.7 Å²	69.7	5%	0.052	40%	0.395	C	S	.	.	H	α-helix	trans	-62.9	-38.5	178	-77.9	174.6	0	0	0	113.7	V19 F21 V24 N51 Y52 S57 V58 G59 Y60 C61	V19-L55 HydrophobicContact CB-CD2 4.46Å; V19-L55 HydrophobicContact CG1-CD2 3.9Å; F21-L55 HydrophobicContact CB-CD1 4.09Å; F21-L55 HydrophobicContact CD2-CD1 3.84Å; F21-L55 HydrophobicContact CG-CD1 4.46Å; V24-L55 HydrophobicContact CG2-CD1 3.4Å; V24-L55 VanDerWaalsContact CG2-CD1 3.4Å; V24-L55 HydrophobicContact CG2-CD2 4.4Å; V24-L55 HydrophobicContact CG2-CG 4.01Å; N51-L55 WeakPolarHBondContact O-CG 3.1Å; N51-L55 PolarHBondContact O-N 2.68Å; Y52-L55 PolarHBondContact O-N 2.88Å; L55-S57 VanDerWaalsContact C-N 3.33Å; L55-V58 WeakPolarHBondContact O-CG2 3.45Å; L55-V58 PolarHBondContact O-N 2.93Å; L55-G59 PolarHBondContact O-N 3.11Å; L55-Y60 PolarHBondContact O-N 2.84Å; L55-C61 HydrophobicContact CB-CB 4.31Å
56	V	89.9	Confident	89.3	Confident	68 Å²	68	72 Å²	72	41%	0.412	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-42.9	173.2	171.6	0	0	0	0	110.2	Y52 S53 N54 V58 G59 C61	Y52-V56 HydrophobicContact CD1-CG2 4.33Å; Y52-V56 HydrophobicContact CD2-CG2 4.26Å; Y52-V56 HydrophobicContact CE1-CG2 3.87Å; Y52-V56 HydrophobicContact CE2-CG2 3.77Å; Y52-V56 WeakPolarHBondContact O-CG2 3.39Å; Y52-V56 PolarHBondContact O-N 3.48Å; S53-V56 PolarHBondContact O-N 3.03Å; N54-V56 PolarHBondContact O-N 3.3Å; V56-V58 PolarHBondContact O-N 3.43Å; V56-G59 PolarHBondContact O-N 3.45Å; V56-C61 HydrophobicContact CG2-CB 3.84Å
57	S	90.4	Very high	89.1	Confident	94 Å²	94	68.9 Å²	68.9	66%	0.657	39%	0.394	S	S	*	.	H	α-helix	trans	-62.3	-30.5	-179.1	-59.9	0	0	0	0	113.2	S53 N54 L55	S53-S57 WeakPolarHBondContact O-CB 3.45Å; S53-S57 PolarHBondContact O-N 3.39Å; S53-S57 PolarHBondContact O-OG 3.41Å; N54-S57 WeakPolarHBondContact O-CB 3.24Å; N54-S57 PolarHBondContact O-N 2.89Å; N54-S57 VanDerWaalsContact O-N 3.14Å; L55-S57 VanDerWaalsContact C-N 3.33Å
58	V	88.6	Confident	89	Confident	93 Å²	93	66.1 Å²	66.1	56%	0.564	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	5.2	175.4	-63.8	0	0	0	0	113.8	N54 L55 V56 Y60	N54-V58 WeakPolarHBondContact O-CG2 3.3Å; N54-V58 PolarHBondContact O-N 3.49Å; N54-V58 VanDerWaalsContact O-N 3.13Å; L55-V58 WeakPolarHBondContact O-CG2 3.45Å; L55-V58 PolarHBondContact O-N 2.93Å; V56-V58 PolarHBondContact O-N 3.43Å; V58-Y60 HydrophobicContact CB-CD2 4.02Å; V58-Y60 HydrophobicContact CB-CE2 4.11Å; V58-Y60 HydrophobicContact CG2-CD2 3.36Å; V58-Y60 HydrophobicContact CG2-CE2 3.88Å; V58-Y60 HydrophobicContact CG2-CG 4.41Å
59	G	84.9	Confident	88.9	Confident	67 Å²	67	71.3 Å²	71.3	69%	0.691	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	17.7	171.9	0	0	0	0	0	116.1	L55 V56	L55-G59 PolarHBondContact O-N 3.11Å; V56-G59 PolarHBondContact O-N 3.45Å
60	Y	79.9	Confident	88.8	Confident	100 Å²	100	70.5 Å²	70.5	39%	0.392	39%	0.394	S	S	.	.			trans	-101	1.7	-174.3	-68.7	-62.8	0	0	0	115.4	V19 L55 V58	V19-Y60 WeakPolarHBondContact O-CB 2.82Å; L55-Y60 PolarHBondContact O-N 2.84Å; V58-Y60 HydrophobicContact CB-CD2 4.02Å; V58-Y60 HydrophobicContact CB-CE2 4.11Å; V58-Y60 HydrophobicContact CG2-CD2 3.36Å; V58-Y60 HydrophobicContact CG2-CE2 3.88Å; V58-Y60 HydrophobicContact CG2-CG 4.41Å
61	C	76	Confident	88.7	Confident	27 Å²	27	64.9 Å²	64.9	18%	0.182	37%	0.367	C	S	.	.			trans	-119.6	96.8	-179.3	-130.1	0	0	0	0	112.2	Y52 L55 V56	Y52-C61 HydrophobicContact CE2-CB 4.07Å; L55-C61 HydrophobicContact CB-CB 4.31Å; V56-C61 HydrophobicContact CG2-CB 3.84Å
62	A	71.3	Confident	88.7	Confident	94 Å²	94	67.1 Å²	67.1	78%	0.777	38%	0.377	S	S	*	.	S	Bend	trans	-77.3	-32.4	178.1	0	0	0	0	0	113.3
63	H	83.8	Confident	88.6	Confident	163 Å²	163	70.4 Å²	70.4	76%	0.755	39%	0.394	S	S	*	.	S	Bend	trans	-126.9	139.8	179.7	-61.5	129	0	0	0	110.5	P65	H63-P65 WeakPolarHBondContact O-CD 3.45Å
64	K	88.5	Confident	88.5	Confident	93 Å²	93	69.6 Å²	69.6	40%	0.404	40%	0.395	S	S	.	.			trans	-72	122.1	176.8	-174.8	172.2	-71.6	-165.4	0	109.7	Y52 I68 F69 E72	Y52-K64 HydrophobicContact CE1-CG 4.42Å; Y52-K64 HydrophobicContact CE2-CB 4.49Å; Y52-K64 HydrophobicContact CE2-CG 4.34Å; Y52-K64 WeakPolarHBondContact OH-CE 3.31Å; K64-I68 HydrophobicContact CD-CG2 4.04Å; K64-I68 HydrophobicContact CG-CB 4.14Å; K64-I68 HydrophobicContact CG-CG2 3.85Å; K64-F69 HydrophobicContact CD-CB 4.33Å; K64-E72 IonicContact NZ-OE1 2.77Å; K64-E72 PolarHBondContact NZ-OE1 3.3Å; K64-E72 IonicContact NZ-OE2 2.77Å; K64-E72 PolarHBondContact NZ-OE2 3.14Å
65	P	90.1	Very high	88.3	Confident	28 Å²	28	68.5 Å²	68.5	18%	0.182	39%	0.387	C	S	.	.			trans	-62.7	145.4	174.8	-20.4	31.8	0	0	0	111.7	F21 Y52 H63 V67 I68 F69	F21-P65 HydrophobicContact CB-CG 4.09Å; F21-P65 HydrophobicContact CD1-CB 3.88Å; F21-P65 HydrophobicContact CD1-CG 3.49Å; F21-P65 VanDerWaalsContact CD1-CG 3.49Å; F21-P65 HydrophobicContact CD2-CG 4.11Å; F21-P65 HydrophobicContact CE1-CB 3.98Å; F21-P65 HydrophobicContact CE1-CG 3.89Å; F21-P65 HydrophobicContact CE2-CG 4.5Å; F21-P65 HydrophobicContact CG-CB 4.5Å; F21-P65 HydrophobicContact CG-CG 3.62Å; F21-P65 HydrophobicContact CZ-CG 4.4Å; Y52-P65 HydrophobicContact CD2-CG 4.46Å; H63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-V67 VanDerWaalsContact C-N 3.3Å; P65-V67 HydrophobicContact CB-CG1 4.08Å; P65-V67 PolarHBondContact O-N 3.38Å; P65-I68 HydrophobicContact CB-CB 4.44Å; P65-I68 HydrophobicContact CB-CG1 4.1Å; P65-I68 HydrophobicContact CG-CG1 4.04Å; P65-I68 WeakPolarHBondContact O-CB 3.37Å; P65-I68 PolarHBondContact O-N 3.44Å; P65-F69 PolarHBondContact O-N 3.47Å; P65-F69 VanDerWaalsContact O-N 3.1Å
66	E	90.4	Very high	88.1	Confident	140 Å²	140	71.4 Å²	71.4	65%	0.654	40%	0.4	S	S	*	.	H	α-helix	trans	-58.6	-41.2	179.9	-175	-178.7	165.8	0	0	112.5	I68 F69 R70	E66-I68 PolarHBondContact O-N 2.93Å; E66-F69 WeakPolarHBondContact O-CB 3.26Å; E66-F69 PolarHBondContact O-N 3.02Å; E66-F69 VanDerWaalsContact O-N 3.14Å; E66-R70 WeakPolarHBondContact O-CG 3.41Å; E66-R70 PolarHBondContact O-N 3.07Å
67	V	90.7	Very high	87.8	Confident	34 Å²	34	68.6 Å²	68.6	21%	0.206	38%	0.384	C	S	.	.	H	α-helix	trans	-57	-38.7	175.2	63.3	0	0	0	0	111.9	F21 P65 R70 L71 P77	F21-V67 HydrophobicContact CE1-CG1 3.66Å; F21-V67 HydrophobicContact CZ-CG1 4.26Å; P65-V67 VanDerWaalsContact C-N 3.3Å; P65-V67 HydrophobicContact CB-CG1 4.08Å; P65-V67 PolarHBondContact O-N 3.38Å; V67-R70 PolarHBondContact O-N 3.45Å; V67-L71 HydrophobicContact CG2-CD1 3.99Å; V67-L71 HydrophobicContact CG2-CG 4.32Å; V67-L71 WeakPolarHBondContact O-CB 3.43Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.32Å; V67-P77 HydrophobicContact CG2-CB 3.91Å
68	I	94	Very high	87.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-67.5	-46.3	176.5	-66.3	-57.9	0	0	0	110.9	F21 M48 L49 Y52 K64 P65 E66 R70 L71 E72	F21-I68 HydrophobicContact CE1-CD1 4.38Å; F21-I68 HydrophobicContact CE1-CG1 4.12Å; F21-I68 HydrophobicContact CE2-CD1 3.73Å; F21-I68 HydrophobicContact CE2-CG1 3.82Å; F21-I68 HydrophobicContact CZ-CD1 3.39Å; F21-I68 HydrophobicContact CZ-CG1 3.5Å; F21-I68 VanDerWaalsContact CZ-CG1 3.5Å; M48-I68 HydrophobicContact CB-CD1 4.21Å; M48-I68 VanDerWaalsContact O-CD1 3.31Å; M48-I68 WeakPolarHBondContact O-CD1 3.35Å; L49-I68 HydrophobicContact CD2-CD1 4.46Å; L49-I68 HydrophobicContact CD2-CG2 4.26Å; Y52-I68 HydrophobicContact CD1-CG2 3.65Å; Y52-I68 HydrophobicContact CD2-CG1 4.09Å; Y52-I68 HydrophobicContact CD2-CG2 4.3Å; Y52-I68 HydrophobicContact CE1-CG2 4.02Å; Y52-I68 HydrophobicContact CG-CB 4.44Å; Y52-I68 HydrophobicContact CG-CD1 4.28Å; Y52-I68 HydrophobicContact CG-CG1 3.95Å; Y52-I68 HydrophobicContact CG-CG2 3.8Å; K64-I68 HydrophobicContact CD-CG2 4.04Å; K64-I68 HydrophobicContact CG-CB 4.14Å; K64-I68 HydrophobicContact CG-CG2 3.85Å; P65-I68 HydrophobicContact CB-CB 4.44Å; P65-I68 HydrophobicContact CB-CG1 4.1Å; P65-I68 HydrophobicContact CG-CG1 4.04Å; P65-I68 WeakPolarHBondContact O-CB 3.37Å; P65-I68 PolarHBondContact O-N 3.44Å; E66-I68 PolarHBondContact O-N 2.93Å; I68-R70 PolarHBondContact O-N 3.38Å; I68-L71 PolarHBondContact O-N 3.46Å; I68-E72 HydrophobicContact CG2-CG 4.39Å; I68-E72 WeakPolarHBondContact O-CG 3.48Å; I68-E72 PolarHBondContact O-N 3.03Å
69	F	92.1	Very high	86	Confident	111 Å²	111	71.7 Å²	71.7	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-56.2	-37.6	177.7	174.5	-107.4	0	0	0	112.4	K64 P65 E66 Q73	K64-F69 HydrophobicContact CD-CB 4.33Å; P65-F69 PolarHBondContact O-N 3.47Å; P65-F69 VanDerWaalsContact O-N 3.1Å; E66-F69 WeakPolarHBondContact O-CB 3.26Å; E66-F69 PolarHBondContact O-N 3.02Å; E66-F69 VanDerWaalsContact O-N 3.14Å; F69-Q73 VanDerWaalsContact CD1-NE2 3.33Å; F69-Q73 PolarHBondContact O-NE2 2.88Å
70	R	92.5	Very high	84.3	Confident	26 Å²	26	75.8 Å²	75.8	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-75.8	-43.1	179	-68.1	175.8	59.9	-151.9	-20.6	112.3	E66 V67 I68 E72 Q73 G74 E75 E76 P77 W78 R79	E66-R70 WeakPolarHBondContact O-CG 3.41Å; E66-R70 PolarHBondContact O-N 3.07Å; V67-R70 PolarHBondContact O-N 3.45Å; I68-R70 PolarHBondContact O-N 3.38Å; R70-E72 VanDerWaalsContact C-N 3.31Å; R70-E72 PolarHBondContact O-N 3.2Å; R70-Q73 WeakPolarHBondContact O-CB 3.34Å; R70-Q73 PolarHBondContact O-N 3.4Å; R70-Q73 VanDerWaalsContact O-N 3.11Å; R70-G74 PolarHBondContact O-N 2.9Å; R70-E75 HydrophobicContact CB-CB 4.23Å; R70-E75 WeakPolarHBondContact O-CB 3.4Å; R70-E75 PolarHBondContact O-N 3.41Å; R70-E76 PolarHBondContact NE-O 3.36Å; R70-E76 VanDerWaalsContact NH2-C 3.27Å; R70-E76 PolarHBondContact NH2-O 3.16Å; R70-P77 VanDerWaalsContact CZ-O 3.28Å; R70-P77 VanDerWaalsContact NH1-C 3.33Å; R70-P77 PolarHBondContact NH1-O 2.77Å; R70-P77 PolarHBondContact NH2-O 2.95Å; R70-W78 VanDerWaalsContact NH2-N 3.19Å; R70-R79 VanDerWaalsContact NH2-CB 3.28Å
71	L	93.8	Very high	82.9	Confident	4 Å²	4	78.5 Å²	78.5	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-63.2	-34.5	176.2	-71.4	175.5	0	0	0	112.8	Y44 R45 M48 L49 V67 I68 Q73 G74 P77	Y44-L71 HydrophobicContact CD1-CD1 4.38Å; Y44-L71 HydrophobicContact CD1-CD2 4.31Å; Y44-L71 HydrophobicContact CE1-CD1 3.92Å; Y44-L71 HydrophobicContact CE1-CD2 4.25Å; R45-L71 HydrophobicContact CB-CD2 4.08Å; R45-L71 HydrophobicContact CG-CB 4.28Å; R45-L71 HydrophobicContact CG-CD2 4.09Å; R45-L71 VanDerWaalsContact CZ-O 3.29Å; R45-L71 PolarHBondContact NE-O 3.23Å; R45-L71 PolarHBondContact NH2-O 3.37Å; M48-L71 HydrophobicContact CB-CD1 3.57Å; M48-L71 HydrophobicContact CG-CD1 4.08Å; L49-L71 HydrophobicContact CD2-CB 4.13Å; L49-L71 HydrophobicContact CG-CB 4.38Å; V67-L71 HydrophobicContact CG2-CD1 3.99Å; V67-L71 HydrophobicContact CG2-CG 4.32Å; V67-L71 WeakPolarHBondContact O-CB 3.43Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.32Å; I68-L71 PolarHBondContact O-N 3.46Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 3.42Å; L71-G74 PolarHBondContact O-N 3.09Å; L71-G74 VanDerWaalsContact O-N 3.09Å; L71-P77 HydrophobicContact CD2-CG 4.31Å
72	E	93.7	Very high	81.7	Confident	81 Å²	81	85.7 Å²	85.7	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-39.7	173	-75	176	159.9	0	0	111.5	R45 L49 K64 I68 R70 G74	R45-E72 PolarHBondContact NH2-O 3.12Å; L49-E72 HydrophobicContact CD2-CG 3.61Å; K64-E72 IonicContact NZ-OE1 2.77Å; K64-E72 PolarHBondContact NZ-OE1 3.3Å; K64-E72 IonicContact NZ-OE2 2.77Å; K64-E72 PolarHBondContact NZ-OE2 3.14Å; I68-E72 HydrophobicContact CG2-CG 4.39Å; I68-E72 WeakPolarHBondContact O-CG 3.48Å; I68-E72 PolarHBondContact O-N 3.03Å; R70-E72 VanDerWaalsContact C-N 3.31Å; R70-E72 PolarHBondContact O-N 3.2Å; E72-G74 PolarHBondContact O-N 2.72Å
73	Q	92.7	Very high	80.4	Confident	104 Å²	104	89.6 Å²	89.6	49%	0.486	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.6	176	-68.3	173.4	94.3	0	0	113.5	F69 R70 L71 E75	F69-Q73 VanDerWaalsContact CD1-NE2 3.33Å; F69-Q73 PolarHBondContact O-NE2 2.88Å; R70-Q73 WeakPolarHBondContact O-CB 3.34Å; R70-Q73 PolarHBondContact O-N 3.4Å; R70-Q73 VanDerWaalsContact O-N 3.11Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 3.42Å; Q73-E75 VanDerWaalsContact C-N 3.29Å; Q73-E75 HydrophobicContact CB-CG 3.98Å
74	G	90.2	Very high	78.8	Confident	46 Å²	46	90.3 Å²	90.3	47%	0.474	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	18.9	-175.7	0	0	0	0	0	113.3	R70 L71 E72	R70-G74 PolarHBondContact O-N 2.9Å; L71-G74 PolarHBondContact O-N 3.09Å; L71-G74 VanDerWaalsContact O-N 3.09Å; E72-G74 PolarHBondContact O-N 2.72Å
75	E	90.4	Very high	76.9	Confident	55 Å²	55	90.6 Å²	90.6	26%	0.257	44%	0.438	S	S	.	.			trans	-86.2	159.6	174.8	-56.9	-173.7	174.3	0	0	110.9	R70 Q73 R79	R70-E75 HydrophobicContact CB-CB 4.23Å; R70-E75 WeakPolarHBondContact O-CB 3.4Å; R70-E75 PolarHBondContact O-N 3.41Å; Q73-E75 VanDerWaalsContact C-N 3.29Å; Q73-E75 HydrophobicContact CB-CG 3.98Å; E75-R79 IonicContact OE1-NH1 3.8Å; E75-R79 PolarHBondContact OE1-NH1 3.39Å; E75-R79 WeakPolarHBondContact OE2-CD 3.24Å; E75-R79 IonicContact OE2-CZ 2.69Å; E75-R79 IonicContact OE2-NE 3.68Å; E75-R79 IonicContact OE2-NH1 2.78Å; E75-R79 PolarHBondContact OE2-NH1 3.21Å
76	E	86.9	Confident	75.3	Confident	71 Å²	71	94.5 Å²	94.5	33%	0.332	47%	0.466	S	S	.	.			trans	-66.6	171.2	173.4	-64	-152.4	119.5	0	0	111.4	W33 R41 R70	W33-E76 PolarHBondContact NE1-OE1 2.8Å; R41-E76 IonicContact CZ-OE1 3.71Å; R41-E76 IonicContact NH1-OE1 2.77Å; R41-E76 PolarHBondContact NH1-OE1 3.33Å; R70-E76 PolarHBondContact NE-O 3.36Å; R70-E76 VanDerWaalsContact NH2-C 3.27Å; R70-E76 PolarHBondContact NH2-O 3.16Å
77	P	83.6	Confident	73.4	Confident	9 Å²	9	94.5 Å²	94.5	6%	0.058	47%	0.466	C	S	.	.	S	Bend	trans	-82.1	-19.9	174.1	-14.4	31.1	0	0	0	113.8	W33 Y44 V67 R70 L71	W33-P77 HydrophobicContact CD2-CG 4.26Å; W33-P77 VanDerWaalsContact CE2-CD 3.48Å; W33-P77 HydrophobicContact CE3-CG 4.12Å; W33-P77 HydrophobicContact CH2-CG 3.62Å; W33-P77 HydrophobicContact CZ2-CG 3.75Å; W33-P77 HydrophobicContact CZ3-CG 3.82Å; Y44-P77 HydrophobicContact CD1-CG 4.2Å; Y44-P77 HydrophobicContact CE1-CB 4.37Å; Y44-P77 HydrophobicContact CE1-CG 3.55Å; V67-P77 HydrophobicContact CG2-CB 3.91Å; R70-P77 VanDerWaalsContact CZ-O 3.28Å; R70-P77 VanDerWaalsContact NH1-C 3.33Å; R70-P77 PolarHBondContact NH1-O 2.77Å; R70-P77 PolarHBondContact NH2-O 2.95Å; L71-P77 HydrophobicContact CD2-CG 4.31Å
78	W	74.5	Confident	72.1	Confident	106 Å²	106	98.1 Å²	98.1	40%	0.402	49%	0.493	S	S	.	.			trans	-128.2	74.7	-176.8	-38.6	92.7	0	0	0	109.2	F28 W33 R70	F28-W78 WeakPolarHBondContact O-CH2 3.26Å; F28-W78 WeakPolarHBondContact O-CZ2 3.37Å; W33-W78 AromaticContact CD1-CD1 3.99Å; W33-W78 AromaticContact CG-CD1 3.67Å; W33-W78 AromaticContact CG-NE1 3.96Å; R70-W78 VanDerWaalsContact NH2-N 3.19Å
79	R	65.4	Low	70.2	Confident	146 Å²	146	105.8 Å²	105.8	55%	0.551	53%	0.526	S	S	*	.			trans	-80.3	128.6	164	-79.6	178.8	72.5	171.9	6	100.5	R70 E75 E81	R70-R79 VanDerWaalsContact NH2-CB 3.28Å; E75-R79 IonicContact OE1-NH1 3.8Å; E75-R79 PolarHBondContact OE1-NH1 3.39Å; E75-R79 WeakPolarHBondContact OE2-CD 3.24Å; E75-R79 IonicContact OE2-CZ 2.69Å; E75-R79 IonicContact OE2-NE 3.68Å; E75-R79 IonicContact OE2-NH1 2.78Å; E75-R79 PolarHBondContact OE2-NH1 3.21Å; R79-E81 PolarHBondContact O-N 3.05Å
80	L	50.1	Low	68.9	Low	153 Å²	153	109.7 Å²	109.7	80%	0.801	56%	0.563	S	S	*	*			trans	-34.7	116.6	172.5	-105.6	96.9	0	0	0	106.4	E82	L80-E82 VanDerWaalsContact C-N 3.28Å; L80-E82 PolarHBondContact O-N 2.55Å
81	E	50.3	Low	67.8	Low	158 Å²	158	113.9 Å²	113.9	74%	0.738	59%	0.586	S	S	*	*			trans	-47.8	114.6	155.4	-81.3	172.1	142.5	0	0	102.8	R79 E83	R79-E81 PolarHBondContact O-N 3.05Å; E81-E83 PolarHBondContact O-N 2.8Å
82	E	50.9	Low	66.4	Low	177 Å²	177	119.7 Å²	119.7	83%	0.827	62%	0.616	S	S	*	*			trans	-49.7	107	147.3	-77.8	-175.7	151.8	0	0	102	L80 F84	L80-E82 VanDerWaalsContact C-N 3.28Å; L80-E82 PolarHBondContact O-N 2.55Å; E82-F84 VanDerWaalsContact C-N 3.27Å; E82-F84 PolarHBondContact O-N 3.15Å
83	E	44.8	Very low	64.9	Low	177 Å²	177	121.8 Å²	121.8	83%	0.827	63%	0.629	S	S	*	*			trans	-40.3	104.2	174.8	-77.2	179.4	148	0	0	104.8	E81 P85	E81-E83 PolarHBondContact O-N 2.8Å; E83-P85 VanDerWaalsContact C-N 3.28Å; E83-P85 WeakPolarHBondContact O-CD 3.47Å
84	F	48.4	Very low	63.2	Low	178 Å²	178	122.9 Å²	122.9	78%	0.781	64%	0.638	S	S	*	*			trans	-59.7	109.2	167.9	-78.9	-80.2	0	0	0	101.6	E82 S86	E82-F84 VanDerWaalsContact C-N 3.27Å; E82-F84 PolarHBondContact O-N 3.15Å; F84-S86 VanDerWaalsContact C-N 3.35Å; F84-S86 PolarHBondContact O-N 3.22Å
85	P	48.7	Very low	61.6	Low	98 Å²	98	127.7 Å²	127.7	64%	0.636	65%	0.648	S	S	*	*			trans	-59.5	114.5	-174.4	23.6	-28.8	0	0	0	102.2	E83 Q87	E83-P85 VanDerWaalsContact C-N 3.28Å; E83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-Q87 VanDerWaalsContact C-N 3.26Å; P85-Q87 PolarHBondContact O-N 3.42Å
86	S	56.8	Low	59.6	Low	110 Å²	110	132.5 Å²	132.5	77%	0.769	67%	0.674	S	S	*	*			trans	-51.9	105.5	-175.6	-44.7	0	0	0	0	104	F84 S88	F84-S86 VanDerWaalsContact C-N 3.35Å; F84-S86 PolarHBondContact O-N 3.22Å; S86-S88 PolarHBondContact O-N 3.11Å
87	Q	51.7	Low	57.7	Low	141 Å²	141	136.9 Å²	136.9	66%	0.659	70%	0.698	S	S	*	*			trans	-72.9	81.5	179.2	-75.9	-166.7	-6.4	0	0	103.6	P85 F89	P85-Q87 VanDerWaalsContact C-N 3.26Å; P85-Q87 PolarHBondContact O-N 3.42Å; Q87-F89 HydrophobicContact CB-CD2 4.06Å; Q87-F89 HydrophobicContact CB-CE2 3.66Å; Q87-F89 HydrophobicContact CB-CZ 3.98Å; Q87-F89 VanDerWaalsContact O-CD2 3.23Å; Q87-F89 WeakPolarHBondContact O-CD2 3.4Å; Q87-F89 PolarHBondContact O-N 3.38Å
88	S	63	Low	55.7	Low	109 Å²	109	146.8 Å²	146.8	76%	0.762	75%	0.748	S	S	*	*			trans	-62.8	88	159.3	-65.5	0	0	0	0	104.2	S86	S86-S88 PolarHBondContact O-N 3.11Å
89	F	54	Low	54.1	Low	161 Å²	161	150.2 Å²	150.2	71%	0.706	78%	0.776	S	S	*	*			trans	-65.7	130.3	167.9	-69.6	-79.2	0	0	0	107.5	Q87	Q87-F89 HydrophobicContact CB-CD2 4.06Å; Q87-F89 HydrophobicContact CB-CE2 3.66Å; Q87-F89 HydrophobicContact CB-CZ 3.98Å; Q87-F89 VanDerWaalsContact O-CD2 3.23Å; Q87-F89 WeakPolarHBondContact O-CD2 3.4Å; Q87-F89 PolarHBondContact O-N 3.38Å
90	P	65.5	Low	53.1	Low	194 Å²	194	150.5 Å²	150.5	100%	1.26	80%	0.797	S	S	*	*			trans	-66.5	0	175.2	28.6	-34.1	0	0	0	112.6

Retrieved 90 of 90 residues in 70.7 ms (Link to these results)

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