A0A4W5QLH8_9TELE Loading...

Parvalbumin

In muscle, parvalbumin is thought to be involved in relaxation after contraction. It binds two calcium ions.

AlphaFold DB , UniProt , Accession A0A4W5QLH8, Species 9TELE (Hucho hucho, huchen), Gene PVALB, Length 111 aa.

						>A0A4W5QLH8_9TELE|A0A4W5QLH8|PVALB
MAALKDFLKADDIQKALDAVKAEGSFDHKKFFALVGLKAMTPDNVKKVFQAIDADQSGFIEEEELKFVLKSFAEDGRDLTDAETKAFLNAADKDGDGKIGIDEFEVLVHEV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.1	Very low	71.6	Confident	244 Å²	244	96.7 Å²	96.7	100%	1.202	53%	0.53	S	S	*	.				0	92.3	0	-72.9	176.9	167.1	0	0	108.1
2	A	44.5	Very low	73.3	Confident	77 Å²	77	92.1 Å²	92.1	64%	0.636	50%	0.504	S	S	*	.			trans	-116	16.9	-168.9	0	0	0	0	0	114
3	A	59.9	Low	74.6	Confident	51 Å²	51	85.7 Å²	85.7	42%	0.421	47%	0.468	S	S	.	.	S	Bend	trans	-86.7	-32.9	-160.9	0	0	0	0	0	115.8	F7 A51	A3-F7 WeakPolarHBondContact O-CD2 3.32Å; A3-F7 WeakPolarHBondContact O-CE2 3.47Å; A3-A51 HydrophobicContact CB-CB 4.3Å
4	L	70.4	Confident	75.9	Confident	7 Å²	7	85.5 Å²	85.5	4%	0.037	46%	0.463	C	S	.	.	S	Bend	trans	-95.4	-36.1	-168.8	-81.4	173.5	0	0	0	114.8	D6 F7 L8 V48 A51 S71 F72	L4-D6 PolarHBondContact O-N 3.37Å; L4-D6 VanDerWaalsContact O-N 3.15Å; L4-F7 PolarHBondContact O-N 3.07Å; L4-F7 VanDerWaalsContact O-N 3.11Å; L4-L8 HydrophobicContact CB-CD1 4.3Å; L4-L8 HydrophobicContact CD2-CD1 4.13Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3.47Å; L4-L8 VanDerWaalsContact O-N 3.12Å; L4-V48 HydrophobicContact CD2-CB 3.78Å; L4-V48 HydrophobicContact CD2-CG1 3.93Å; L4-V48 HydrophobicContact CD2-CG2 3.32Å; L4-A51 HydrophobicContact CD1-CB 3.6Å; L4-A51 HydrophobicContact CD2-CB 4.4Å; L4-A51 HydrophobicContact CG-CB 3.69Å; L4-S71 WeakPolarHBondContact CD1-O 3.39Å; L4-F72 HydrophobicContact CD1-CD1 4.41Å; L4-F72 HydrophobicContact CD1-CE1 4.39Å
5	K	69.1	Low	77	Confident	117 Å²	117	87.4 Å²	87.4	51%	0.509	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.9	-179.6	-61.5	177.9	-177.1	175.2	0	113	E74	K5-E74 IonicContact NZ-OE2 2.8Å
6	D	75.8	Confident	78	Confident	128 Å²	128	81.9 Å²	81.9	68%	0.684	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-23.6	176.5	-70.4	-13.1	0	0	0	112.9	L4	L4-D6 PolarHBondContact O-N 3.37Å; L4-D6 VanDerWaalsContact O-N 3.15Å
7	F	76	Confident	78.8	Confident	90 Å²	90	78.1 Å²	78.1	40%	0.395	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-17.5	-179.3	-56	-73.5	0	0	0	113.3	A3 L4 M40 K47	A3-F7 WeakPolarHBondContact O-CD2 3.32Å; A3-F7 WeakPolarHBondContact O-CE2 3.47Å; L4-F7 PolarHBondContact O-N 3.07Å; L4-F7 VanDerWaalsContact O-N 3.11Å; F7-M40 HydrophobicContact CB-CE 3.56Å; F7-K47 HydrophobicContact CE1-CD 4.44Å; F7-K47 HydrophobicContact CE2-CD 3.88Å; F7-K47 HydrophobicContact CZ-CD 3.76Å
8	L	83.6	Confident	79.5	Confident	11 Å²	11	78.7 Å²	78.7	6%	0.058	42%	0.419	C	S	.	.	S	Bend	trans	-114.5	140.4	-174.9	-59.3	175.4	0	0	0	110.2	L4 I13 V35 M40 F72	L4-L8 HydrophobicContact CB-CD1 4.3Å; L4-L8 HydrophobicContact CD2-CD1 4.13Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3.47Å; L4-L8 VanDerWaalsContact O-N 3.12Å; L8-I13 HydrophobicContact CB-CD1 3.81Å; L8-I13 HydrophobicContact CB-CG1 4Å; L8-I13 HydrophobicContact CD1-CD1 4.43Å; L8-I13 HydrophobicContact CD1-CG1 4.43Å; L8-V35 VanDerWaalsContact CD2-O 3.31Å; L8-V35 WeakPolarHBondContact CD2-O 3.1Å; L8-M40 HydrophobicContact CD2-CE 3.52Å; L8-M40 HydrophobicContact CD2-SD 4.21Å; L8-M40 HydrophobicContact CG-CE 4.29Å; L8-F72 HydrophobicContact CD1-CD1 3.52Å; L8-F72 HydrophobicContact CD1-CE1 3.7Å
9	K	88.3	Confident	80.1	Confident	149 Å²	149	77.3 Å²	77.3	65%	0.648	42%	0.42	S	S	*	.			trans	-75.9	133.1	177.1	-62.7	-178.7	-172.8	166.9	0	109.7	D11 D12 I13	K9-D11 PolarHBondContact O-N 3.25Å; K9-D12 HydrophobicContact CB-CB 4.14Å; K9-D12 PolarHBondContact O-N 2.75Å; K9-I13 PolarHBondContact O-N 2.75Å
10	A	87.4	Confident	80.7	Confident	75 Å²	75	73.7 Å²	73.7	62%	0.62	40%	0.4	S	S	*	.	H	α-helix	trans	-53.6	-40.1	176.6	0	0	0	0	0	112.4	D12 I13 Q14	A10-D12 VanDerWaalsContact C-N 3.31Å; A10-D12 PolarHBondContact O-N 2.81Å; A10-I13 PolarHBondContact O-N 3.05Å; A10-Q14 WeakPolarHBondContact O-CB 3.17Å; A10-Q14 PolarHBondContact O-N 3.47Å
11	D	90.3	Very high	81.1	Confident	115 Å²	115	77.7 Å²	77.7	62%	0.615	41%	0.413	S	S	*	.	H	α-helix	trans	-61.9	-37.2	177	-69.5	-4.9	0	0	0	113	K9 K15	K9-D11 PolarHBondContact O-N 3.25Å; D11-K15 WeakPolarHBondContact O-CB 2.8Å; D11-K15 WeakPolarHBondContact O-CD 3.46Å; D11-K15 WeakPolarHBondContact O-CG 3.4Å; D11-K15 PolarHBondContact O-N 3.36Å
12	D	92.3	Very high	83.5	Confident	41 Å²	41	68.9 Å²	68.9	22%	0.219	38%	0.379	C	S	.	.	H	α-helix	trans	-76.4	-39	-178.2	-70.9	-17.6	0	0	0	110.4	K9 A10 K15 A16 L34	K9-D12 HydrophobicContact CB-CB 4.14Å; K9-D12 PolarHBondContact O-N 2.75Å; A10-D12 VanDerWaalsContact C-N 3.31Å; A10-D12 PolarHBondContact O-N 2.81Å; D12-K15 IonicContact OD1-NZ 3.68Å; D12-A16 WeakPolarHBondContact O-CB 3.28Å; D12-A16 PolarHBondContact O-N 3.18Å; D12-L34 WeakPolarHBondContact CB-O 3.31Å
13	I	90.9	Very high	85.7	Confident	9 Å²	9	72.8 Å²	72.8	5%	0.046	39%	0.385	C	S	.	.	H	α-helix	trans	-59	-50.5	169.7	-62.7	168.7	0	0	0	110.3	L8 K9 A10 K15 A16 L17 F72 A73	L8-I13 HydrophobicContact CB-CD1 3.81Å; L8-I13 HydrophobicContact CB-CG1 4Å; L8-I13 HydrophobicContact CD1-CD1 4.43Å; L8-I13 HydrophobicContact CD1-CG1 4.43Å; K9-I13 PolarHBondContact O-N 2.75Å; A10-I13 PolarHBondContact O-N 3.05Å; I13-K15 PolarHBondContact O-N 3.27Å; I13-A16 WeakPolarHBondContact O-CB 3.49Å; I13-A16 PolarHBondContact O-N 3.33Å; I13-A16 VanDerWaalsContact O-N 3.13Å; I13-L17 HydrophobicContact CG2-CD1 3.9Å; I13-L17 HydrophobicContact CG2-CG 4.32Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.28Å; I13-F72 HydrophobicContact CG2-CB 4.22Å; I13-A73 HydrophobicContact CG2-CB 3.98Å
14	Q	91.7	Very high	87.1	Confident	83 Å²	83	73.2 Å²	73.2	39%	0.388	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-45.3	-178	-172.8	61.7	55.8	0	0	111.7	A10 A16 L17 D18	A10-Q14 WeakPolarHBondContact O-CB 3.17Å; A10-Q14 PolarHBondContact O-N 3.47Å; Q14-A16 VanDerWaalsContact C-N 3.28Å; Q14-A16 PolarHBondContact O-N 3.36Å; Q14-L17 PolarHBondContact O-N 2.85Å; Q14-D18 PolarHBondContact NE2-OD1 2.96Å; Q14-D18 WeakPolarHBondContact O-CB 2.9Å; Q14-D18 VanDerWaalsContact O-CG 3.31Å; Q14-D18 PolarHBondContact O-N 3.34Å
15	K	92.6	Very high	88.2	Confident	114 Å²	114	75.1 Å²	75.1	50%	0.496	41%	0.408	S	S	.	.	H	α-helix	trans	-59.6	-40	175.4	-74.7	168.4	-168.3	163	0	112.2	D11 D12 I13 A19	D11-K15 WeakPolarHBondContact O-CB 2.8Å; D11-K15 WeakPolarHBondContact O-CD 3.46Å; D11-K15 WeakPolarHBondContact O-CG 3.4Å; D11-K15 PolarHBondContact O-N 3.36Å; D12-K15 IonicContact OD1-NZ 3.68Å; I13-K15 PolarHBondContact O-N 3.27Å; K15-A19 WeakPolarHBondContact O-CB 3.38Å; K15-A19 PolarHBondContact O-N 2.71Å; K15-A19 VanDerWaalsContact O-N 3.07Å
16	A	92.9	Very high	89.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-66.1	-43.7	178.1	0	0	0	0	0	111.5	D12 I13 Q14 A19 V20 F31 L34 V35	D12-A16 WeakPolarHBondContact O-CB 3.28Å; D12-A16 PolarHBondContact O-N 3.18Å; I13-A16 WeakPolarHBondContact O-CB 3.49Å; I13-A16 PolarHBondContact O-N 3.33Å; I13-A16 VanDerWaalsContact O-N 3.13Å; Q14-A16 VanDerWaalsContact C-N 3.28Å; Q14-A16 PolarHBondContact O-N 3.36Å; A16-A19 WeakPolarHBondContact O-CB 3.47Å; A16-A19 PolarHBondContact O-N 3.2Å; A16-V20 WeakPolarHBondContact O-CG2 3.48Å; A16-V20 PolarHBondContact O-N 3.25Å; A16-F31 HydrophobicContact CB-CD2 3.64Å; A16-F31 HydrophobicContact CB-CE2 3.58Å; A16-F31 HydrophobicContact CB-CG 4.46Å; A16-F31 HydrophobicContact CB-CZ 4.37Å; A16-L34 HydrophobicContact CB-CB 3.7Å; A16-L34 HydrophobicContact CB-CD1 4.44Å; A16-V35 HydrophobicContact CB-CG1 3.31Å
17	L	91.3	Very high	90.2	Very high	16 Å²	16	67 Å²	67	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-63.9	-42.4	175.8	-67	172.4	0	0	0	112.2	I13 Q14 A19 V20 K21 F31 L69 A73	I13-L17 HydrophobicContact CG2-CD1 3.9Å; I13-L17 HydrophobicContact CG2-CG 4.32Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.28Å; Q14-L17 PolarHBondContact O-N 2.85Å; L17-A19 VanDerWaalsContact C-N 3.26Å; L17-A19 PolarHBondContact O-N 2.92Å; L17-V20 CarbonylContact O-C 3.43Å; L17-V20 PolarHBondContact O-N 3.41Å; L17-V20 VanDerWaalsContact O-N 3.11Å; L17-K21 PolarHBondContact O-N 3.41Å; L17-F31 HydrophobicContact CD2-CE2 4.34Å; L17-L69 HydrophobicContact CD2-CB 4.29Å; L17-L69 HydrophobicContact CD2-CD2 4.37Å; L17-A73 HydrophobicContact CD1-CB 3.47Å; L17-A73 VanDerWaalsContact CD1-CB 3.47Å
18	D	92.1	Very high	91	Very high	89 Å²	89	64 Å²	64	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-35.7	176.8	-73.5	-29.9	0	0	0	111.6	Q14 V20	Q14-D18 PolarHBondContact NE2-OD1 2.96Å; Q14-D18 WeakPolarHBondContact O-CB 2.9Å; Q14-D18 VanDerWaalsContact O-CG 3.31Å; Q14-D18 PolarHBondContact O-N 3.34Å; D18-V20 VanDerWaalsContact C-N 3.3Å; D18-V20 PolarHBondContact O-N 2.82Å
19	A	91.6	Very high	91.4	Very high	53 Å²	53	67.7 Å²	67.7	44%	0.438	37%	0.372	S	S	.	.	H	α-helix	trans	-68.5	-27.4	175.6	0	0	0	0	0	113.4	K15 A16 L17 S25 L34	K15-A19 WeakPolarHBondContact O-CB 3.38Å; K15-A19 PolarHBondContact O-N 2.71Å; K15-A19 VanDerWaalsContact O-N 3.07Å; A16-A19 WeakPolarHBondContact O-CB 3.47Å; A16-A19 PolarHBondContact O-N 3.2Å; L17-A19 VanDerWaalsContact C-N 3.26Å; L17-A19 PolarHBondContact O-N 2.92Å; A19-S25 PolarHBondContact O-OG 3.17Å; A19-L34 HydrophobicContact CB-CD1 3.67Å
20	V	92.1	Very high	91.6	Very high	4 Å²	4	67 Å²	67	2%	0.024	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	14	-178.8	-54.1	0	0	0	0	113.4	A16 L17 D18 A22 S25 F26 F31 L69 R77	A16-V20 WeakPolarHBondContact O-CG2 3.48Å; A16-V20 PolarHBondContact O-N 3.25Å; L17-V20 CarbonylContact O-C 3.43Å; L17-V20 PolarHBondContact O-N 3.41Å; L17-V20 VanDerWaalsContact O-N 3.11Å; D18-V20 VanDerWaalsContact C-N 3.3Å; D18-V20 PolarHBondContact O-N 2.82Å; V20-A22 VanDerWaalsContact C-N 3.29Å; V20-A22 PolarHBondContact O-N 2.97Å; V20-S25 WeakPolarHBondContact CA-OG 3.31Å; V20-F26 HydrophobicContact CB-CD2 4.1Å; V20-F26 HydrophobicContact CG1-CD2 3.89Å; V20-F26 HydrophobicContact CG2-CD2 4.36Å; V20-F31 HydrophobicContact CG1-CD2 4.13Å; V20-F31 HydrophobicContact CG2-CD2 4.17Å; V20-F31 HydrophobicContact CG2-CE2 4.36Å; V20-L69 HydrophobicContact CG2-CD1 3.84Å; V20-L69 HydrophobicContact CG2-CD2 4.08Å; V20-R77 VanDerWaalsContact O-CZ 3.3Å; V20-R77 PolarHBondContact O-NE 3.28Å; V20-R77 PolarHBondContact O-NH2 2.84Å
21	K	89.4	Confident	91.9	Very high	158 Å²	158	63.5 Å²	63.5	69%	0.687	34%	0.339	S	S	*	.			trans	-65.3	-30.1	-174	-171.1	173.5	-175.8	171.4	0	113.7	L17	L17-K21 PolarHBondContact O-N 3.41Å
22	A	91.8	Very high	92	Very high	59 Å²	59	58.1 Å²	58.1	49%	0.488	31%	0.311	S	S	.	.	S	Bend	trans	-81.7	140.7	177.5	0	0	0	0	0	110.9	V20 G24 S25 R77	V20-A22 VanDerWaalsContact C-N 3.29Å; V20-A22 PolarHBondContact O-N 2.97Å; A22-G24 PolarHBondContact O-N 3.32Å; A22-S25 WeakPolarHBondContact O-CB 3.38Å; A22-S25 PolarHBondContact O-N 3.12Å; A22-S25 VanDerWaalsContact O-N 3.11Å; A22-S25 PolarHBondContact O-OG 3.43Å; A22-R77 PolarHBondContact O-NH2 3.11Å
23	E	89.8	Confident	92	Very high	160 Å²	160	59 Å²	59	75%	0.748	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	133.6	172.2	-66.2	-176.8	146.1	0	0	110.4	S25 T80	E23-S25 VanDerWaalsContact C-N 3.26Å; E23-S25 PolarHBondContact O-N 3.39Å; E23-T80 HydrophobicContact CB-CG2 3.91Å; E23-T80 HydrophobicContact CG-CG2 4.03Å
24	G	90.8	Very high	92.1	Very high	60 Å²	60	61.7 Å²	61.7	62%	0.619	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	0.9	-175.2	0	0	0	0	0	114.6	A22 E83	A22-G24 PolarHBondContact O-N 3.32Å; G24-E83 VanDerWaalsContact C-OE1 3.29Å; G24-E83 WeakPolarHBondContact CA-OE1 3.44Å; G24-E83 VanDerWaalsContact N-CD 3.33Å; G24-E83 PolarHBondContact N-OE1 3.49Å
25	S	91.7	Very high	92.1	Very high	46 Å²	46	57.9 Å²	57.9	32%	0.322	32%	0.32	S	S	.	.			trans	-95.4	2.2	178.4	88.3	0	0	0	0	114	A19 V20 A22 E23 D27 E83	A19-S25 PolarHBondContact O-OG 3.17Å; V20-S25 WeakPolarHBondContact CA-OG 3.31Å; A22-S25 WeakPolarHBondContact O-CB 3.38Å; A22-S25 PolarHBondContact O-N 3.12Å; A22-S25 VanDerWaalsContact O-N 3.11Å; A22-S25 PolarHBondContact O-OG 3.43Å; E23-S25 VanDerWaalsContact C-N 3.26Å; E23-S25 PolarHBondContact O-N 3.39Å; S25-D27 PolarHBondContact O-N 2.91Å; S25-E83 PolarHBondContact N-OE1 3.37Å; S25-E83 VanDerWaalsContact N-OE1 3.16Å
26	F	94.6	Very high	92	Very high	24 Å²	24	53.8 Å²	53.8	11%	0.105	31%	0.31	C	S	.	.			trans	-69.2	126.8	178.2	-177.8	-97	0	0	0	112.1	V20 H28 F31 L69 L79 E83 F87	V20-F26 HydrophobicContact CB-CD2 4.1Å; V20-F26 HydrophobicContact CG1-CD2 3.89Å; V20-F26 HydrophobicContact CG2-CD2 4.36Å; F26-H28 HydrophobicContact CE1-CB 4.03Å; F26-H28 HydrophobicContact CZ-CB 4.2Å; F26-F31 HydrophobicContact CE2-CB 4.14Å; F26-F31 HydrophobicContact CE2-CD1 4.41Å; F26-F31 HydrophobicContact CE2-CD2 4.36Å; F26-F31 HydrophobicContact CE2-CG 4.04Å; F26-L69 HydrophobicContact CD2-CD2 4.13Å; F26-L69 HydrophobicContact CE2-CD2 3.77Å; F26-L79 HydrophobicContact CB-CD2 3.88Å; F26-L79 HydrophobicContact CD1-CD1 4.06Å; F26-L79 HydrophobicContact CD1-CD2 4.09Å; F26-L79 HydrophobicContact CD2-CD2 3.62Å; F26-L79 HydrophobicContact CE1-CD1 4.05Å; F26-L79 HydrophobicContact CE2-CD2 4.2Å; F26-L79 HydrophobicContact CG-CD1 4.37Å; F26-L79 HydrophobicContact CG-CD2 3.56Å; F26-L79 HydrophobicContact CZ-CD1 4.33Å; F26-E83 HydrophobicContact CB-CB 4.21Å; F26-E83 HydrophobicContact CB-CG 3.9Å; F26-E83 WeakPolarHBondContact CB-OE1 3.39Å; F26-E83 PolarHBondContact N-OE1 2.66Å; F26-F87 HydrophobicContact CD1-CD1 4.31Å; F26-F87 HydrophobicContact CE1-CB 4.22Å; F26-F87 AromaticContact CE1-CD1 3.22Å; F26-F87 HydrophobicContact CE1-CD1 3.22Å; F26-F87 AromaticContact CE1-CE1 3.71Å; F26-F87 HydrophobicContact CE1-CE1 3.71Å; F26-F87 AromaticContact CE1-CG 3.88Å; F26-F87 HydrophobicContact CE1-CG 3.88Å; F26-F87 AromaticContact CZ-CD1 3.58Å; F26-F87 HydrophobicContact CZ-CD1 3.58Å; F26-F87 AromaticContact CZ-CE1 3.54Å; F26-F87 HydrophobicContact CZ-CE1 3.54Å
27	D	93.4	Very high	91.8	Very high	52 Å²	52	53.8 Å²	53.8	28%	0.278	31%	0.31	S	S	.	.			trans	-135.9	109.7	176.9	177.3	-40.8	0	0	0	107.4	S25 K29 K30 F31	S25-D27 PolarHBondContact O-N 2.91Å; D27-K29 PolarHBondContact O-N 2.89Å; D27-K29 WeakPolarHBondContact OD1-CA 3.48Å; D27-K29 WeakPolarHBondContact OD1-CB 3.43Å; D27-K29 PolarHBondContact OD1-N 3.5Å; D27-K30 HydrophobicContact CB-CB 4.14Å; D27-K30 HydrophobicContact CB-CD 4.15Å; D27-K30 HydrophobicContact CB-CG 4.27Å; D27-K30 PolarHBondContact O-N 2.92Å; D27-K30 PolarHBondContact OD1-N 3.29Å; D27-K30 WeakPolarHBondContact OD2-CE 3.47Å; D27-K30 IonicContact OD2-NZ 2.66Å; D27-F31 VanDerWaalsContact O-CB 3.28Å; D27-F31 WeakPolarHBondContact O-CB 3.39Å; D27-F31 PolarHBondContact O-N 2.82Å
28	H	92.1	Very high	91.7	Very high	25 Å²	25	56.9 Å²	56.9	12%	0.116	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-36.2	-175.6	57.9	-88.8	0	0	0	112	F26 F31 F32 F87	F26-H28 HydrophobicContact CE1-CB 4.03Å; F26-H28 HydrophobicContact CZ-CB 4.2Å; H28-F31 PolarHBondContact O-N 3.13Å; H28-F32 HydrophobicContact CB-CE2 4.29Å; H28-F32 VanDerWaalsContact O-CB 3.3Å; H28-F32 WeakPolarHBondContact O-CB 3.48Å; H28-F32 WeakPolarHBondContact O-CD2 3.31Å; H28-F32 WeakPolarHBondContact O-CG 3.27Å; H28-F32 PolarHBondContact O-N 3.03Å; H28-F87 HydrophobicContact CB-CD2 4.2Å; H28-F87 HydrophobicContact CB-CE1 4.49Å; H28-F87 HydrophobicContact CB-CE2 4.17Å; H28-F87 HydrophobicContact CB-CG 4.49Å; H28-F87 HydrophobicContact CB-CZ 4.28Å
29	K	92.1	Very high	91.6	Very high	89 Å²	89	57.2 Å²	57.2	39%	0.387	34%	0.338	S	S	.	.	H	α-helix	trans	-67.4	-48.4	-179.2	-54.7	-170.9	-179.1	-153	0	110.9	D27 F31 A33 E110	D27-K29 PolarHBondContact O-N 2.89Å; D27-K29 WeakPolarHBondContact OD1-CA 3.48Å; D27-K29 WeakPolarHBondContact OD1-CB 3.43Å; D27-K29 PolarHBondContact OD1-N 3.5Å; K29-F31 VanDerWaalsContact C-N 3.35Å; K29-A33 VanDerWaalsContact O-CB 3.31Å; K29-A33 WeakPolarHBondContact O-CB 3.31Å; K29-A33 PolarHBondContact O-N 2.9Å; K29-E110 WeakPolarHBondContact CE-OE2 3.32Å; K29-E110 IonicContact NZ-OE2 3.92Å; K29-E110 PolarHBondContact NZ-OE2 3.35Å
30	K	92.1	Very high	91.5	Very high	134 Å²	134	55.9 Å²	55.9	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-64.8	-42.4	176.8	-69.3	-179.6	-170.3	168.1	0	111	D27 A33 L34	D27-K30 HydrophobicContact CB-CB 4.14Å; D27-K30 HydrophobicContact CB-CD 4.15Å; D27-K30 HydrophobicContact CB-CG 4.27Å; D27-K30 PolarHBondContact O-N 2.92Å; D27-K30 PolarHBondContact OD1-N 3.29Å; D27-K30 WeakPolarHBondContact OD2-CE 3.47Å; D27-K30 IonicContact OD2-NZ 2.66Å; K30-A33 PolarHBondContact O-N 2.99Å; K30-L34 WeakPolarHBondContact O-CB 2.99Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.3Å; K30-L34 PolarHBondContact O-N 3.18Å
31	F	93.5	Very high	91.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	34%	0.343	C	S	.	.	H	α-helix	trans	-60	-52.4	178.8	-174	-96.7	0	0	0	110.9	A16 L17 V20 F26 D27 H28 K29 A33 L34 V35 L69 F72	A16-F31 HydrophobicContact CB-CD2 3.64Å; A16-F31 HydrophobicContact CB-CE2 3.58Å; A16-F31 HydrophobicContact CB-CG 4.46Å; A16-F31 HydrophobicContact CB-CZ 4.37Å; L17-F31 HydrophobicContact CD2-CE2 4.34Å; V20-F31 HydrophobicContact CG1-CD2 4.13Å; V20-F31 HydrophobicContact CG2-CD2 4.17Å; V20-F31 HydrophobicContact CG2-CE2 4.36Å; F26-F31 HydrophobicContact CE2-CB 4.14Å; F26-F31 HydrophobicContact CE2-CD1 4.41Å; F26-F31 HydrophobicContact CE2-CD2 4.36Å; F26-F31 HydrophobicContact CE2-CG 4.04Å; D27-F31 VanDerWaalsContact O-CB 3.28Å; D27-F31 WeakPolarHBondContact O-CB 3.39Å; D27-F31 PolarHBondContact O-N 2.82Å; H28-F31 PolarHBondContact O-N 3.13Å; K29-F31 VanDerWaalsContact C-N 3.35Å; F31-A33 VanDerWaalsContact C-N 3.33Å; F31-A33 PolarHBondContact O-N 2.95Å; F31-L34 PolarHBondContact O-N 3.31Å; F31-L34 VanDerWaalsContact O-N 3.13Å; F31-V35 HydrophobicContact CD1-CG1 4.39Å; F31-V35 HydrophobicContact CE1-CG1 3.94Å; F31-V35 HydrophobicContact CE1-CG2 4.43Å; F31-V35 HydrophobicContact CE2-CG1 4.16Å; F31-V35 HydrophobicContact CZ-CG1 3.8Å; F31-V35 WeakPolarHBondContact O-CG2 3.31Å; F31-V35 PolarHBondContact O-N 3.26Å; F31-L69 HydrophobicContact CD2-CD2 4Å; F31-L69 HydrophobicContact CE1-CD2 4.2Å; F31-L69 HydrophobicContact CE2-CD2 3.46Å; F31-L69 VanDerWaalsContact CE2-CD2 3.46Å; F31-L69 HydrophobicContact CZ-CD2 3.58Å; F31-F72 HydrophobicContact CE1-CD1 4.36Å; F31-F72 AromaticContact CE1-CD2 3.76Å; F31-F72 HydrophobicContact CE1-CD2 3.76Å; F31-F72 HydrophobicContact CE1-CE1 4.32Å; F31-F72 AromaticContact CE1-CE2 3.74Å; F31-F72 HydrophobicContact CE1-CE2 3.74Å; F31-F72 HydrophobicContact CE1-CG 4.11Å; F31-F72 HydrophobicContact CE1-CZ 4.04Å; F31-F72 HydrophobicContact CZ-CB 4.36Å; F31-F72 HydrophobicContact CZ-CD1 4.45Å; F31-F72 AromaticContact CZ-CD2 3.83Å; F31-F72 HydrophobicContact CZ-CD2 3.83Å; F31-F72 HydrophobicContact CZ-CE2 4.3Å; F31-F72 AromaticContact CZ-CG 3.95Å; F31-F72 HydrophobicContact CZ-CG 3.95Å
32	F	93.1	Very high	91.5	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-36.3	178.5	-65.7	-17.1	0	0	0	113.7	H28 G36 L37 F87 F104 L107 V108	H28-F32 HydrophobicContact CB-CE2 4.29Å; H28-F32 VanDerWaalsContact O-CB 3.3Å; H28-F32 WeakPolarHBondContact O-CB 3.48Å; H28-F32 WeakPolarHBondContact O-CD2 3.31Å; H28-F32 WeakPolarHBondContact O-CG 3.27Å; H28-F32 PolarHBondContact O-N 3.03Å; F32-G36 PolarHBondContact O-N 3.16Å; F32-L37 HydrophobicContact CB-CB 4.14Å; F32-L37 HydrophobicContact CB-CD1 4.38Å; F32-L37 HydrophobicContact CD1-CD1 3.36Å; F32-L37 HydrophobicContact CE1-CD1 3.82Å; F32-L37 HydrophobicContact CG-CD1 4.05Å; F32-L37 PolarHBondContact O-N 2.89Å; F32-F87 HydrophobicContact CE1-CZ 4.46Å; F32-F87 HydrophobicContact CZ-CE2 4.33Å; F32-F87 AromaticContact CZ-CZ 3.76Å; F32-F87 HydrophobicContact CZ-CZ 3.76Å; F32-F104 AromaticContact CZ-CE2 3.86Å; F32-F104 HydrophobicContact CZ-CE2 3.86Å; F32-F104 HydrophobicContact CZ-CZ 4.33Å; F32-L107 HydrophobicContact CE2-CD2 3.8Å; F32-L107 HydrophobicContact CE2-CG 3.97Å; F32-L107 HydrophobicContact CZ-CD2 4.33Å; F32-V108 HydrophobicContact CD2-CB 4.45Å; F32-V108 HydrophobicContact CD2-CG2 3.93Å; F32-V108 HydrophobicContact CE2-CG2 3.84Å; F32-V108 HydrophobicContact CG-CG2 4.44Å; F32-V108 HydrophobicContact CZ-CG2 4.28Å
33	A	92.1	Very high	91.5	Very high	58 Å²	58	57.6 Å²	57.6	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-66	-42.6	173.4	0	0	0	0	0	112	K29 K30 F31 G36	K29-A33 VanDerWaalsContact O-CB 3.31Å; K29-A33 WeakPolarHBondContact O-CB 3.31Å; K29-A33 PolarHBondContact O-N 2.9Å; K30-A33 PolarHBondContact O-N 2.99Å; F31-A33 VanDerWaalsContact C-N 3.33Å; F31-A33 PolarHBondContact O-N 2.95Å; A33-G36 PolarHBondContact O-N 2.89Å
34	L	92.4	Very high	91.5	Very high	66 Å²	66	51.9 Å²	51.9	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-69.8	-43.4	-178.8	-74.3	171.3	0	0	0	112.4	D12 A16 A19 K30 F31 G36	D12-L34 WeakPolarHBondContact CB-O 3.31Å; A16-L34 HydrophobicContact CB-CB 3.7Å; A16-L34 HydrophobicContact CB-CD1 4.44Å; A19-L34 HydrophobicContact CB-CD1 3.67Å; K30-L34 WeakPolarHBondContact O-CB 2.99Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.3Å; K30-L34 PolarHBondContact O-N 3.18Å; F31-L34 PolarHBondContact O-N 3.31Å; F31-L34 VanDerWaalsContact O-N 3.13Å; L34-G36 PolarHBondContact O-N 3.04Å
35	V	91.6	Very high	91.6	Very high	3 Å²	3	49 Å²	49	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-73.5	-11.6	176.9	-57.2	0	0	0	0	112.9	L8 A16 F31 L37 F72	L8-V35 VanDerWaalsContact CD2-O 3.31Å; L8-V35 WeakPolarHBondContact CD2-O 3.1Å; A16-V35 HydrophobicContact CB-CG1 3.31Å; F31-V35 HydrophobicContact CD1-CG1 4.39Å; F31-V35 HydrophobicContact CE1-CG1 3.94Å; F31-V35 HydrophobicContact CE1-CG2 4.43Å; F31-V35 HydrophobicContact CE2-CG1 4.16Å; F31-V35 HydrophobicContact CZ-CG1 3.8Å; F31-V35 WeakPolarHBondContact O-CG2 3.31Å; F31-V35 PolarHBondContact O-N 3.26Å; V35-L37 HydrophobicContact CG2-CB 4.05Å; V35-L37 HydrophobicContact CG2-CD1 3.44Å; V35-L37 VanDerWaalsContact CG2-CD1 3.44Å; V35-L37 HydrophobicContact CG2-CG 3.58Å; V35-F72 HydrophobicContact CG1-CD1 4.48Å; V35-F72 HydrophobicContact CG2-CE1 4.3Å
36	G	90.5	Very high	91.6	Very high	28 Å²	28	51.8 Å²	51.8	29%	0.289	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	11.4	178	0	0	0	0	0	114.9	F32 A33 L34 K38 A39	F32-G36 PolarHBondContact O-N 3.16Å; A33-G36 PolarHBondContact O-N 2.89Å; L34-G36 PolarHBondContact O-N 3.04Å; G36-K38 PolarHBondContact O-N 3.35Å; G36-A39 PolarHBondContact O-N 3.09Å
37	L	90.4	Very high	91.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.2	-36.9	177	-83.9	164.7	0	0	0	112.2	F32 V35 A39 M40 V48 F72 V108	F32-L37 HydrophobicContact CB-CB 4.14Å; F32-L37 HydrophobicContact CB-CD1 4.38Å; F32-L37 HydrophobicContact CD1-CD1 3.36Å; F32-L37 HydrophobicContact CE1-CD1 3.82Å; F32-L37 HydrophobicContact CG-CD1 4.05Å; F32-L37 PolarHBondContact O-N 2.89Å; V35-L37 HydrophobicContact CG2-CB 4.05Å; V35-L37 HydrophobicContact CG2-CD1 3.44Å; V35-L37 VanDerWaalsContact CG2-CD1 3.44Å; V35-L37 HydrophobicContact CG2-CG 3.58Å; L37-A39 PolarHBondContact O-N 3.26Å; L37-A39 VanDerWaalsContact O-N 3.09Å; L37-M40 HydrophobicContact CD2-SD 3.71Å; L37-M40 VanDerWaalsContact O-CB 3.31Å; L37-M40 WeakPolarHBondContact O-CB 3.3Å; L37-M40 PolarHBondContact O-N 3.3Å; L37-V48 HydrophobicContact CD1-CG1 4.39Å; L37-V48 HydrophobicContact CD2-CB 3.95Å; L37-V48 HydrophobicContact CD2-CG1 3.75Å; L37-V48 HydrophobicContact CD2-CG2 3.44Å; L37-V48 VanDerWaalsContact CD2-CG2 3.44Å; L37-F72 HydrophobicContact CD1-CE1 3.84Å; L37-F72 HydrophobicContact CD1-CZ 3.81Å; L37-V108 HydrophobicContact CB-CG1 3.85Å; L37-V108 WeakPolarHBondContact O-CG1 3.35Å
38	K	89.1	Confident	91.4	Very high	82 Å²	82	52.2 Å²	52.2	36%	0.357	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-59.8	-25	-178	-171.1	166.6	-178.5	152.6	0	114.1	G36 H109 E110	G36-K38 PolarHBondContact O-N 3.35Å; K38-H109 PolarHBondContact O-CE1 3.45Å; K38-H109 PolarHBondContact O-ND1 2.8Å; K38-E110 PolarHBondContact NZ-O 2.98Å
39	A	89.6	Confident	91.5	Very high	96 Å²	96	51.4 Å²	51.4	79%	0.793	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-97.1	1.3	179.7	0	0	0	0	0	113.3	G36 L37	G36-A39 PolarHBondContact O-N 3.09Å; L37-A39 PolarHBondContact O-N 3.26Å; L37-A39 VanDerWaalsContact O-N 3.09Å
40	M	89.5	Confident	91.5	Very high	25 Å²	25	52.5 Å²	52.5	12%	0.123	29%	0.291	C	S	.	.	S	Bend	trans	-76.8	158	179.6	-70.4	-170.2	141.8	0	0	112	F7 L8 L37 N44 V45 V48 H109	F7-M40 HydrophobicContact CB-CE 3.56Å; L8-M40 HydrophobicContact CD2-CE 3.52Å; L8-M40 HydrophobicContact CD2-SD 4.21Å; L8-M40 HydrophobicContact CG-CE 4.29Å; L37-M40 HydrophobicContact CD2-SD 3.71Å; L37-M40 VanDerWaalsContact O-CB 3.31Å; L37-M40 WeakPolarHBondContact O-CB 3.3Å; L37-M40 PolarHBondContact O-N 3.3Å; M40-N44 HydrophobicContact CB-CB 4.07Å; M40-N44 HydrophobicContact CE-CB 4.4Å; M40-N44 HydrophobicContact CG-CB 4.37Å; M40-N44 HydrophobicContact SD-CB 4.06Å; M40-V45 HydrophobicContact CB-CG2 3.94Å; M40-V48 HydrophobicContact SD-CG2 4.17Å; M40-H109 PolarHBondContact O-CE1 3.31Å
41	T	91.4	Very high	91.4	Very high	72 Å²	72	47.6 Å²	47.6	44%	0.442	28%	0.276	S	S	.	.			trans	-76.7	157.2	169.1	59.6	0	0	0	0	110.4	D43 N44 V45	T41-D43 PolarHBondContact O-N 3.07Å; T41-D43 VanDerWaalsContact O-N 3.17Å; T41-N44 PolarHBondContact O-N 3.17Å; T41-V45 PolarHBondContact O-N 3.44Å
42	P	90.5	Very high	91.4	Very high	64 Å²	64	47.7 Å²	47.7	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-51.4	-39.6	175.4	-29.6	36.5	0	0	0	113.3	N44 V45 K46 E105	P42-N44 VanDerWaalsContact C-N 3.31Å; P42-N44 PolarHBondContact O-N 3Å; P42-V45 PolarHBondContact O-N 2.89Å; P42-K46 WeakPolarHBondContact O-CB 3.44Å; P42-K46 PolarHBondContact O-N 3.09Å; P42-E105 WeakPolarHBondContact CG-OE1 3.5Å
43	D	91.2	Very high	91.4	Very high	120 Å²	120	48 Å²	48	64%	0.642	28%	0.278	S	S	*	.	H	α-helix	trans	-60.6	-37.4	176.3	-66.6	-59.5	0	0	0	113.5	T41 K47	T41-D43 PolarHBondContact O-N 3.07Å; T41-D43 VanDerWaalsContact O-N 3.17Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.42Å
44	N	90.4	Very high	91.3	Very high	41 Å²	41	49 Å²	49	22%	0.219	29%	0.286	C	S	.	.	H	α-helix	trans	-79.4	-35.9	178.5	-75.4	-19.3	0	0	0	111.3	M40 T41 P42 K46 K47 V48	M40-N44 HydrophobicContact CB-CB 4.07Å; M40-N44 HydrophobicContact CE-CB 4.4Å; M40-N44 HydrophobicContact CG-CB 4.37Å; M40-N44 HydrophobicContact SD-CB 4.06Å; T41-N44 PolarHBondContact O-N 3.17Å; P42-N44 VanDerWaalsContact C-N 3.31Å; P42-N44 PolarHBondContact O-N 3Å; N44-K46 VanDerWaalsContact C-N 3.27Å; N44-K46 PolarHBondContact O-N 3.39Å; N44-K47 WeakPolarHBondContact O-CB 3.37Å; N44-K47 PolarHBondContact O-N 2.97Å; N44-K47 PolarHBondContact OD1-NZ 3.29Å; N44-V48 VanDerWaalsContact O-CG2 3.27Å; N44-V48 WeakPolarHBondContact O-CG2 3.49Å; N44-V48 PolarHBondContact O-N 3.4Å; N44-V48 VanDerWaalsContact O-N 3.07Å
45	V	92.3	Very high	91.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-41.3	170.6	174.4	0	0	0	0	110.4	M40 T41 P42 K47 V48 F49 F104 V108	M40-V45 HydrophobicContact CB-CG2 3.94Å; T41-V45 PolarHBondContact O-N 3.44Å; P42-V45 PolarHBondContact O-N 2.89Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 2.99Å; V45-V48 WeakPolarHBondContact O-CB 3.33Å; V45-V48 PolarHBondContact O-N 3.14Å; V45-V48 VanDerWaalsContact O-N 3.09Å; V45-F49 PolarHBondContact O-N 3.47Å; V45-F104 HydrophobicContact CG1-CD1 3.67Å; V45-F104 HydrophobicContact CG1-CE1 3.75Å; V45-V108 HydrophobicContact CG1-CB 4.38Å; V45-V108 HydrophobicContact CG1-CG2 4.19Å; V45-V108 HydrophobicContact CG2-CG1 3.99Å
46	K	92.4	Very high	91.4	Very high	103 Å²	103	58.2 Å²	58.2	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-38	174.4	-173.9	173.6	-176.8	172.1	0	113.4	P42 N44 V48 F49 Q50 I101	P42-K46 WeakPolarHBondContact O-CB 3.44Å; P42-K46 PolarHBondContact O-N 3.09Å; N44-K46 VanDerWaalsContact C-N 3.27Å; N44-K46 PolarHBondContact O-N 3.39Å; K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 2.99Å; K46-F49 WeakPolarHBondContact O-CB 3.44Å; K46-F49 PolarHBondContact O-N 2.89Å; K46-Q50 VanDerWaalsContact O-CG 3.28Å; K46-Q50 WeakPolarHBondContact O-CG 3.28Å; K46-Q50 PolarHBondContact O-N 2.95Å; K46-I101 HydrophobicContact CB-CD1 3.99Å; K46-I101 HydrophobicContact CG-CD1 4.01Å; K46-I101 HydrophobicContact CG-CG1 4.38Å
47	K	91.4	Very high	91.6	Very high	84 Å²	84	59 Å²	59	37%	0.365	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-34.1	173.5	-69.7	173.2	-171.3	165	0	112.1	F7 D43 N44 V45 A51	F7-K47 HydrophobicContact CE1-CD 4.44Å; F7-K47 HydrophobicContact CE2-CD 3.88Å; F7-K47 HydrophobicContact CZ-CD 3.76Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.42Å; N44-K47 WeakPolarHBondContact O-CB 3.37Å; N44-K47 PolarHBondContact O-N 2.97Å; N44-K47 PolarHBondContact OD1-NZ 3.29Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 2.99Å; K47-A51 WeakPolarHBondContact O-CB 3.5Å; K47-A51 PolarHBondContact O-N 3.16Å; K47-A51 VanDerWaalsContact O-N 3.16Å
48	V	91.6	Very high	91.9	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-47.4	175.5	174.5	0	0	0	0	110.2	L4 L37 M40 N44 V45 K46 Q50 A51 I52 F72 F104	L4-V48 HydrophobicContact CD2-CB 3.78Å; L4-V48 HydrophobicContact CD2-CG1 3.93Å; L4-V48 HydrophobicContact CD2-CG2 3.32Å; L37-V48 HydrophobicContact CD1-CG1 4.39Å; L37-V48 HydrophobicContact CD2-CB 3.95Å; L37-V48 HydrophobicContact CD2-CG1 3.75Å; L37-V48 HydrophobicContact CD2-CG2 3.44Å; L37-V48 VanDerWaalsContact CD2-CG2 3.44Å; M40-V48 HydrophobicContact SD-CG2 4.17Å; N44-V48 VanDerWaalsContact O-CG2 3.27Å; N44-V48 WeakPolarHBondContact O-CG2 3.49Å; N44-V48 PolarHBondContact O-N 3.4Å; N44-V48 VanDerWaalsContact O-N 3.07Å; V45-V48 WeakPolarHBondContact O-CB 3.33Å; V45-V48 PolarHBondContact O-N 3.14Å; V45-V48 VanDerWaalsContact O-N 3.09Å; K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 2.99Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.03Å; V48-A51 WeakPolarHBondContact O-CA 3.49Å; V48-A51 WeakPolarHBondContact O-CB 3.28Å; V48-A51 PolarHBondContact O-N 2.9Å; V48-I52 HydrophobicContact CG1-CD1 3.95Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.96Å; V48-I52 VanDerWaalsContact O-N 3.14Å; V48-F72 HydrophobicContact CG1-CE1 4.2Å; V48-F72 HydrophobicContact CG1-CZ 3.86Å; V48-F104 HydrophobicContact CB-CE1 4.4Å; V48-F104 HydrophobicContact CG1-CE1 4.14Å; V48-F104 HydrophobicContact CG1-CZ 3.99Å
49	F	93.7	Very high	92.2	Very high	9 Å²	9	59.9 Å²	59.9	4%	0.039	35%	0.345	C	S	.	.	H	α-helix	trans	-52.1	-51	173.7	177.2	-87.9	0	0	0	111.4	V45 K46 A51 I52 D53 G58 I60 I99 I101 F104	V45-F49 PolarHBondContact O-N 3.47Å; K46-F49 WeakPolarHBondContact O-CB 3.44Å; K46-F49 PolarHBondContact O-N 2.89Å; F49-A51 PolarHBondContact O-N 3.02Å; F49-A51 VanDerWaalsContact O-N 3.15Å; F49-I52 PolarHBondContact O-N 3.31Å; F49-D53 HydrophobicContact CE1-CB 4.29Å; F49-D53 WeakPolarHBondContact O-CB 3.41Å; F49-D53 PolarHBondContact O-N 3.46Å; F49-G58 WeakPolarHBondContact CZ-O 3.45Å; F49-I60 HydrophobicContact CD2-CD1 3.49Å; F49-I60 VanDerWaalsContact CD2-CD1 3.49Å; F49-I60 HydrophobicContact CD2-CG1 3.93Å; F49-I60 HydrophobicContact CE2-CD1 3.67Å; F49-I60 HydrophobicContact CE2-CG1 3.66Å; F49-I60 HydrophobicContact CG-CD1 4.37Å; F49-I60 HydrophobicContact CZ-CG1 4.23Å; F49-I99 WeakPolarHBondContact CE2-O 3.31Å; F49-I101 HydrophobicContact CB-CD1 3.68Å; F49-I101 HydrophobicContact CD1-CB 4.47Å; F49-I101 HydrophobicContact CD1-CD1 4.1Å; F49-I101 HydrophobicContact CD2-CD1 4.08Å; F49-I101 HydrophobicContact CE1-CB 4.41Å; F49-I101 HydrophobicContact CE2-CB 4.44Å; F49-I101 HydrophobicContact CG-CD1 3.68Å; F49-I101 HydrophobicContact CZ-CB 4.38Å; F49-F104 HydrophobicContact CB-CD1 3.89Å; F49-F104 HydrophobicContact CB-CE1 4.14Å; F49-F104 HydrophobicContact CD2-CB 3.8Å; F49-F104 HydrophobicContact CD2-CD1 4.04Å; F49-F104 AromaticContact CD2-CG 3.9Å; F49-F104 HydrophobicContact CD2-CG 3.9Å; F49-F104 HydrophobicContact CE2-CB 4.32Å; F49-F104 HydrophobicContact CG-CD1 4.48Å
50	Q	92.7	Very high	92.6	Very high	111 Å²	111	55.4 Å²	55.4	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-64.6	-17.5	177.7	-71.6	177.2	-24.6	0	0	114.7	K46 V48	K46-Q50 VanDerWaalsContact O-CG 3.28Å; K46-Q50 WeakPolarHBondContact O-CG 3.28Å; K46-Q50 PolarHBondContact O-N 2.95Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.03Å
51	A	90.8	Very high	92.8	Very high	32 Å²	32	57.5 Å²	57.5	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-89.8	-15.1	174.4	0	0	0	0	0	112.4	A3 L4 K47 V48 F49 S71	A3-A51 HydrophobicContact CB-CB 4.3Å; L4-A51 HydrophobicContact CD1-CB 3.6Å; L4-A51 HydrophobicContact CD2-CB 4.4Å; L4-A51 HydrophobicContact CG-CB 3.69Å; K47-A51 WeakPolarHBondContact O-CB 3.5Å; K47-A51 PolarHBondContact O-N 3.16Å; K47-A51 VanDerWaalsContact O-N 3.16Å; V48-A51 WeakPolarHBondContact O-CA 3.49Å; V48-A51 WeakPolarHBondContact O-CB 3.28Å; V48-A51 PolarHBondContact O-N 2.9Å; F49-A51 PolarHBondContact O-N 3.02Å; F49-A51 VanDerWaalsContact O-N 3.15Å; A51-S71 PolarHBondContact O-OG 2.96Å
52	I	92.3	Very high	93	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-91.7	-44.7	174.1	-60.9	163.5	0	0	0	109.8	V48 F49 A54 I60 V68 F72 F104	V48-I52 HydrophobicContact CG1-CD1 3.95Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.96Å; V48-I52 VanDerWaalsContact O-N 3.14Å; F49-I52 PolarHBondContact O-N 3.31Å; I52-A54 VanDerWaalsContact C-N 3.31Å; I52-A54 PolarHBondContact O-N 3.05Å; I52-I60 HydrophobicContact CB-CD1 3.97Å; I52-I60 HydrophobicContact CB-CG1 4.21Å; I52-I60 HydrophobicContact CD1-CD1 4.23Å; I52-I60 HydrophobicContact CG2-CB 4.46Å; I52-I60 HydrophobicContact CG2-CD1 3.77Å; I52-I60 HydrophobicContact CG2-CG1 3.86Å; I52-I60 HydrophobicContact CG2-CG2 3.75Å; I52-V68 HydrophobicContact CD1-CG2 3.89Å; I52-V68 HydrophobicContact CG1-CG2 4.17Å; I52-V68 HydrophobicContact CG2-CG2 4.01Å; I52-F72 HydrophobicContact CD1-CE2 4.34Å; I52-F72 HydrophobicContact CD1-CZ 4.42Å; I52-F104 HydrophobicContact CD1-CE2 4.04Å; I52-F104 HydrophobicContact CD1-CZ 3.83Å
53	D	94.4	Very high	93.1	Very high	10 Å²	10	62.1 Å²	62.1	5%	0.053	33%	0.329	C	S	.	.			trans	-64.9	86.7	170.2	176.1	10.2	0	0	0	109.6	F49 D55 Q56 S57 G58	F49-D53 HydrophobicContact CE1-CB 4.29Å; F49-D53 WeakPolarHBondContact O-CB 3.41Å; F49-D53 PolarHBondContact O-N 3.46Å; D53-D55 VanDerWaalsContact OD1-OD1 3.1Å; D53-Q56 WeakPolarHBondContact OD1-CA 3.09Å; D53-Q56 PolarHBondContact OD1-N 2.97Å; D53-S57 PolarHBondContact OD1-N 2.83Å; D53-S57 PolarHBondContact OD1-OG 3.29Å; D53-G58 VanDerWaalsContact OD2-CA 3.28Å; D53-G58 WeakPolarHBondContact OD2-CA 3.06Å; D53-G58 PolarHBondContact OD2-N 2.87Å
54	A	90.1	Very high	93.3	Very high	78 Å²	78	57.5 Å²	57.5	65%	0.645	30%	0.303	S	S	*	.	S	Bend	trans	-78.1	-32.5	-171.4	0	0	0	0	0	111.6	I52 E64	I52-A54 VanDerWaalsContact C-N 3.31Å; I52-A54 PolarHBondContact O-N 3.05Å; A54-E64 PolarHBondContact N-OE1 3.16Å
55	D	92.8	Very high	93.5	Very high	95 Å²	95	55.6 Å²	55.6	51%	0.508	29%	0.293	S	S	.	.	S	Bend	trans	-88.4	-8.3	177.9	85.1	-19.4	0	0	0	113.6	D53 S57 E64	D53-D55 VanDerWaalsContact OD1-OD1 3.1Å; D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 2.95Å; D55-S57 PolarHBondContact OD1-OG 3.49Å; D55-S57 VanDerWaalsContact OD1-OG 3.05Å; D55-E64 PolarHBondContact N-OE1 3.11Å
56	Q	92.8	Very high	93.6	Very high	168 Å²	168	58.7 Å²	58.7	79%	0.785	31%	0.306	S	S	*	.			trans	63.7	32.1	-179.4	-51.6	-175.4	-28	0	0	112.7	D53 G58	D53-Q56 WeakPolarHBondContact OD1-CA 3.09Å; D53-Q56 PolarHBondContact OD1-N 2.97Å; Q56-G58 PolarHBondContact O-N 2.95Å
57	S	95.1	Very high	93.7	Very high	45 Å²	45	58.2 Å²	58.2	32%	0.315	30%	0.304	S	S	.	.	S	Bend	trans	-64.9	-20.4	174.9	64.2	0	0	0	0	112.5	D53 D55 F59	D53-S57 PolarHBondContact OD1-N 2.83Å; D53-S57 PolarHBondContact OD1-OG 3.29Å; D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 2.95Å; D55-S57 PolarHBondContact OD1-OG 3.49Å; D55-S57 VanDerWaalsContact OD1-OG 3.05Å; S57-F59 PolarHBondContact OG-N 3.46Å; S57-F59 PolarHBondContact OG-O 2.84Å
58	G	95.3	Very high	93.8	Very high	36 Å²	36	54.2 Å²	54.2	37%	0.371	29%	0.287	S	S	.	.	S	Bend	trans	87.3	8.3	-171.1	0	0	0	0	0	113.3	F49 D53 Q56	F49-G58 WeakPolarHBondContact CZ-O 3.45Å; D53-G58 VanDerWaalsContact OD2-CA 3.28Å; D53-G58 WeakPolarHBondContact OD2-CA 3.06Å; D53-G58 PolarHBondContact OD2-N 2.87Å; Q56-G58 PolarHBondContact O-N 2.95Å
59	F	96.8	Very high	93.9	Very high	65 Å²	65	54.2 Å²	54.2	29%	0.285	29%	0.287	S	S	.	.	S	Bend	trans	-137.7	153.9	178.8	-59.9	-88.2	0	0	0	109.4	S57 K98 I99	S57-F59 PolarHBondContact OG-N 3.46Å; S57-F59 PolarHBondContact OG-O 2.84Å; F59-K98 HydrophobicContact CB-CB 4.08Å; F59-K98 HydrophobicContact CB-CD 3.67Å; F59-K98 HydrophobicContact CB-CG 4.06Å; F59-K98 HydrophobicContact CD1-CD 3.57Å; F59-K98 VanDerWaalsContact CD1-CE 3.41Å; F59-K98 HydrophobicContact CD1-CG 3.8Å; F59-K98 HydrophobicContact CD2-CD 4.03Å; F59-K98 VanDerWaalsContact CD2-NZ 3.33Å; F59-K98 HydrophobicContact CE1-CD 4.2Å; F59-K98 HydrophobicContact CG-CD 3.47Å; F59-K98 VanDerWaalsContact CG-CD 3.47Å; F59-K98 HydrophobicContact CG-CG 4.07Å; F59-K98 VanDerWaalsContact CZ-NZ 3.3Å; F59-I99 WeakPolarHBondContact CA-O 3.45Å
60	I	96.3	Very high	93.8	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-96.8	113.5	166.3	-60.2	164	0	0	0	107.5	F49 I52 E64 L65 I99 F104	F49-I60 HydrophobicContact CD2-CD1 3.49Å; F49-I60 VanDerWaalsContact CD2-CD1 3.49Å; F49-I60 HydrophobicContact CD2-CG1 3.93Å; F49-I60 HydrophobicContact CE2-CD1 3.67Å; F49-I60 HydrophobicContact CE2-CG1 3.66Å; F49-I60 HydrophobicContact CG-CD1 4.37Å; F49-I60 HydrophobicContact CZ-CG1 4.23Å; I52-I60 HydrophobicContact CB-CD1 3.97Å; I52-I60 HydrophobicContact CB-CG1 4.21Å; I52-I60 HydrophobicContact CD1-CD1 4.23Å; I52-I60 HydrophobicContact CG2-CB 4.46Å; I52-I60 HydrophobicContact CG2-CD1 3.77Å; I52-I60 HydrophobicContact CG2-CG1 3.86Å; I52-I60 HydrophobicContact CG2-CG2 3.75Å; I60-E64 WeakPolarHBondContact CA-OE2 3.07Å; I60-E64 HydrophobicContact CG2-CB 4.23Å; I60-L65 HydrophobicContact CG2-CB 4.12Å; I60-L65 HydrophobicContact CG2-CD1 4.06Å; I60-I99 HydrophobicContact CB-CB 4.2Å; I60-I99 PolarHBondContact N-O 2.92Å; I60-I99 PolarHBondContact O-N 2.97Å; I60-F104 HydrophobicContact CD1-CD2 3.99Å; I60-F104 HydrophobicContact CD1-CE2 4.25Å; I60-F104 HydrophobicContact CD1-CG 4.46Å
61	E	94.9	Very high	93.6	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	29%	0.29	S	S	.	.			trans	-89.4	164.3	-178.2	-58.5	-178	163	0	0	111.6	E63 E64 L65	E61-E63 PolarHBondContact O-N 3.48Å; E61-E63 VanDerWaalsContact O-N 3.16Å; E61-E64 PolarHBondContact N-OE2 3.37Å; E61-E64 PolarHBondContact O-N 3.28Å; E61-E64 VanDerWaalsContact O-N 3.07Å; E61-L65 WeakPolarHBondContact O-CB 3.36Å; E61-L65 PolarHBondContact O-N 2.98Å
62	E	94.4	Very high	93.6	Very high	85 Å²	85	52.8 Å²	52.8	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-54.8	-37.8	-178.3	-172.9	178.5	178	0	0	112.4	L65 K66 T84	E62-L65 PolarHBondContact O-N 3.33Å; E62-K66 PolarHBondContact O-N 2.93Å; E62-T84 HydrophobicContact CG-CG2 3.74Å; E62-T84 WeakPolarHBondContact O-CG2 3.38Å
63	E	93.4	Very high	93.4	Very high	149 Å²	149	53.1 Å²	53.1	70%	0.696	28%	0.281	S	S	*	.	H	α-helix	trans	-65.8	-41.7	179.2	-61.7	-173.8	145.1	0	0	111.7	E61 K66 F67	E61-E63 PolarHBondContact O-N 3.48Å; E61-E63 VanDerWaalsContact O-N 3.16Å; E63-K66 WeakPolarHBondContact O-CB 3.34Å; E63-F67 WeakPolarHBondContact O-CD2 3.31Å; E63-F67 WeakPolarHBondContact O-CE2 3.45Å
64	E	95	Very high	93	Very high	23 Å²	23	60.5 Å²	60.5	11%	0.107	32%	0.315	C	S	.	.	H	α-helix	trans	-73.3	-39.2	177.5	-58.6	-179.9	122.9	0	0	111.4	A54 D55 I60 E61 K66 F67 V68	A54-E64 PolarHBondContact N-OE1 3.16Å; D55-E64 PolarHBondContact N-OE1 3.11Å; I60-E64 WeakPolarHBondContact CA-OE2 3.07Å; I60-E64 HydrophobicContact CG2-CB 4.23Å; E61-E64 PolarHBondContact N-OE2 3.37Å; E61-E64 PolarHBondContact O-N 3.28Å; E61-E64 VanDerWaalsContact O-N 3.07Å; E64-K66 PolarHBondContact O-N 2.84Å; E64-F67 CarbonylContact O-C 3.6Å; E64-F67 WeakPolarHBondContact O-CA 3.16Å; E64-F67 PolarHBondContact O-N 3.14Å; E64-V68 PolarHBondContact O-N 3.07Å; E64-V68 VanDerWaalsContact O-N 3.11Å
65	L	94.8	Very high	92.9	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-35	176.8	-166	63.9	0	0	0	111.4	I60 E61 E62 F67 V68 T84 F87 L88 I99	I60-L65 HydrophobicContact CG2-CB 4.12Å; I60-L65 HydrophobicContact CG2-CD1 4.06Å; E61-L65 WeakPolarHBondContact O-CB 3.36Å; E61-L65 PolarHBondContact O-N 2.98Å; E62-L65 PolarHBondContact O-N 3.33Å; L65-F67 PolarHBondContact O-N 3.2Å; L65-V68 HydrophobicContact CD1-CB 4.49Å; L65-V68 VanDerWaalsContact O-CB 3.28Å; L65-V68 WeakPolarHBondContact O-CB 3.41Å; L65-V68 WeakPolarHBondContact O-CG1 3.38Å; L65-V68 PolarHBondContact O-N 3.12Å; L65-T84 HydrophobicContact CB-CG2 4.08Å; L65-T84 HydrophobicContact CD2-CG2 4.13Å; L65-T84 HydrophobicContact CG-CG2 4.2Å; L65-F87 HydrophobicContact CD1-CD1 3.55Å; L65-F87 HydrophobicContact CD1-CD2 4.18Å; L65-F87 HydrophobicContact CD1-CE1 3.49Å; L65-F87 VanDerWaalsContact CD1-CE1 3.49Å; L65-F87 HydrophobicContact CD1-CE2 4.01Å; L65-F87 HydrophobicContact CD1-CG 3.93Å; L65-F87 HydrophobicContact CD1-CZ 3.71Å; L65-F87 HydrophobicContact CD2-CB 4.05Å; L65-F87 HydrophobicContact CD2-CD1 4.32Å; L65-F87 HydrophobicContact CD2-CD2 4.45Å; L65-F87 HydrophobicContact CD2-CG 4.05Å; L65-F87 HydrophobicContact CG-CD1 3.97Å; L65-F87 HydrophobicContact CG-CE1 4.38Å; L65-F87 HydrophobicContact CG-CG 4.22Å; L65-L88 HydrophobicContact CD2-CB 3.85Å; L65-L88 HydrophobicContact CD2-CD1 4.41Å; L65-I99 HydrophobicContact CD1-CD1 3.9Å; L65-I99 HydrophobicContact CD2-CD1 3.95Å
66	K	95.5	Very high	92.8	Very high	65 Å²	65	58.1 Å²	58.1	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-31.8	174.1	-172.5	167.2	-176.5	154.6	0	112.8	E62 E63 E64 L79 D81 T84	E62-K66 PolarHBondContact O-N 2.93Å; E63-K66 WeakPolarHBondContact O-CB 3.34Å; E64-K66 PolarHBondContact O-N 2.84Å; K66-L79 PolarHBondContact O-N 3.13Å; K66-D81 IonicContact NZ-OD1 2.6Å; K66-D81 PolarHBondContact NZ-OD1 2.71Å; K66-T84 HydrophobicContact CB-CG2 4.31Å
67	F	94.6	Very high	92.8	Very high	92 Å²	92	52.6 Å²	52.6	40%	0.404	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	9.2	-179.8	-57.2	-63.1	0	0	0	113.3	E63 E64 L65 L69 K70 D78	E63-F67 WeakPolarHBondContact O-CD2 3.31Å; E63-F67 WeakPolarHBondContact O-CE2 3.45Å; E64-F67 CarbonylContact O-C 3.6Å; E64-F67 WeakPolarHBondContact O-CA 3.16Å; E64-F67 PolarHBondContact O-N 3.14Å; L65-F67 PolarHBondContact O-N 3.2Å; F67-L69 PolarHBondContact O-N 3.37Å; F67-K70 HydrophobicContact CB-CD 4.47Å; F67-K70 HydrophobicContact CD1-CD 4.17Å; F67-K70 WeakPolarHBondContact O-CA 3.17Å; F67-K70 VanDerWaalsContact O-CB 3.27Å; F67-K70 WeakPolarHBondContact O-CB 3.28Å; F67-K70 PolarHBondContact O-N 2.88Å; F67-D78 WeakPolarHBondContact CD1-OD1 3.38Å; F67-D78 WeakPolarHBondContact CE1-OD1 3.48Å
68	V	92.6	Very high	92.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-53.3	-36.4	-172.5	69.3	0	0	0	0	114.1	I52 E64 L65 K70 S71 F72 L79 F87	I52-V68 HydrophobicContact CD1-CG2 3.89Å; I52-V68 HydrophobicContact CG1-CG2 4.17Å; I52-V68 HydrophobicContact CG2-CG2 4.01Å; E64-V68 PolarHBondContact O-N 3.07Å; E64-V68 VanDerWaalsContact O-N 3.11Å; L65-V68 HydrophobicContact CD1-CB 4.49Å; L65-V68 VanDerWaalsContact O-CB 3.28Å; L65-V68 WeakPolarHBondContact O-CB 3.41Å; L65-V68 WeakPolarHBondContact O-CG1 3.38Å; L65-V68 PolarHBondContact O-N 3.12Å; V68-K70 PolarHBondContact O-N 3.15Å; V68-S71 WeakPolarHBondContact O-CB 3.24Å; V68-S71 PolarHBondContact O-N 2.91Å; V68-F72 HydrophobicContact CG2-CE2 4.2Å; V68-F72 VanDerWaalsContact O-CD2 3.23Å; V68-F72 WeakPolarHBondContact O-CD2 3.15Å; V68-L79 HydrophobicContact CG1-CD1 3.76Å; V68-L79 HydrophobicContact CG1-CG 4.22Å; V68-F87 HydrophobicContact CG1-CD1 4.49Å; V68-F87 HydrophobicContact CG1-CE1 4.02Å; V68-F87 HydrophobicContact CG2-CE1 4.37Å
69	L	92.6	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-31	178	-63.5	-176.9	0	0	0	112.2	L17 V20 F26 F31 F67 S71 F72 A73 R77 L79	L17-L69 HydrophobicContact CD2-CB 4.29Å; L17-L69 HydrophobicContact CD2-CD2 4.37Å; V20-L69 HydrophobicContact CG2-CD1 3.84Å; V20-L69 HydrophobicContact CG2-CD2 4.08Å; F26-L69 HydrophobicContact CD2-CD2 4.13Å; F26-L69 HydrophobicContact CE2-CD2 3.77Å; F31-L69 HydrophobicContact CD2-CD2 4Å; F31-L69 HydrophobicContact CE1-CD2 4.2Å; F31-L69 HydrophobicContact CE2-CD2 3.46Å; F31-L69 VanDerWaalsContact CE2-CD2 3.46Å; F31-L69 HydrophobicContact CZ-CD2 3.58Å; F67-L69 PolarHBondContact O-N 3.37Å; L69-S71 VanDerWaalsContact C-N 3.27Å; L69-S71 PolarHBondContact O-N 3.4Å; L69-F72 PolarHBondContact O-N 3.45Å; L69-F72 VanDerWaalsContact O-N 3.1Å; L69-A73 PolarHBondContact O-N 3.32Å; L69-A73 VanDerWaalsContact O-N 3.09Å; L69-R77 HydrophobicContact CD1-CG 3.9Å; L69-L79 HydrophobicContact CD1-CD2 3.82Å; L69-L79 HydrophobicContact CG-CD2 4.09Å
70	K	91.9	Very high	92.9	Very high	85 Å²	85	50.5 Å²	50.5	37%	0.37	25%	0.245	S	C	.	.	H	α-helix	trans	-70.5	-22.7	178.7	-66.9	175.8	171	168.2	0	113.1	F67 V68 F72 A73 G76 D78	F67-K70 HydrophobicContact CB-CD 4.47Å; F67-K70 HydrophobicContact CD1-CD 4.17Å; F67-K70 WeakPolarHBondContact O-CA 3.17Å; F67-K70 VanDerWaalsContact O-CB 3.27Å; F67-K70 WeakPolarHBondContact O-CB 3.28Å; F67-K70 PolarHBondContact O-N 2.88Å; V68-K70 PolarHBondContact O-N 3.15Å; K70-F72 PolarHBondContact O-N 2.87Å; K70-A73 VanDerWaalsContact CA-O 3.27Å; K70-A73 WeakPolarHBondContact CA-O 3.44Å; K70-G76 WeakPolarHBondContact CE-O 3.22Å; K70-G76 WeakPolarHBondContact CG-O 3.48Å; K70-D78 WeakPolarHBondContact CE-OD1 3.39Å; K70-D78 IonicContact NZ-OD1 3.67Å; K70-D78 PolarHBondContact NZ-OD1 2.91Å; K70-D78 IonicContact NZ-OD2 3.49Å
71	S	90.1	Very high	92.8	Very high	36 Å²	36	54.9 Å²	54.9	25%	0.252	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-30	170.5	-54.3	0	0	0	0	111.6	L4 A51 V68 L69	L4-S71 WeakPolarHBondContact CD1-O 3.39Å; A51-S71 PolarHBondContact O-OG 2.96Å; V68-S71 WeakPolarHBondContact O-CB 3.24Å; V68-S71 PolarHBondContact O-N 2.91Å; L69-S71 VanDerWaalsContact C-N 3.27Å; L69-S71 PolarHBondContact O-N 3.4Å
72	F	89.3	Confident	92.9	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-87.6	-41.5	178.4	-63.4	-90	0	0	0	112.7	L4 L8 I13 F31 V35 L37 V48 I52 V68 L69 K70	L4-F72 HydrophobicContact CD1-CD1 4.41Å; L4-F72 HydrophobicContact CD1-CE1 4.39Å; L8-F72 HydrophobicContact CD1-CD1 3.52Å; L8-F72 HydrophobicContact CD1-CE1 3.7Å; I13-F72 HydrophobicContact CG2-CB 4.22Å; F31-F72 HydrophobicContact CE1-CD1 4.36Å; F31-F72 AromaticContact CE1-CD2 3.76Å; F31-F72 HydrophobicContact CE1-CD2 3.76Å; F31-F72 HydrophobicContact CE1-CE1 4.32Å; F31-F72 AromaticContact CE1-CE2 3.74Å; F31-F72 HydrophobicContact CE1-CE2 3.74Å; F31-F72 HydrophobicContact CE1-CG 4.11Å; F31-F72 HydrophobicContact CE1-CZ 4.04Å; F31-F72 HydrophobicContact CZ-CB 4.36Å; F31-F72 HydrophobicContact CZ-CD1 4.45Å; F31-F72 AromaticContact CZ-CD2 3.83Å; F31-F72 HydrophobicContact CZ-CD2 3.83Å; F31-F72 HydrophobicContact CZ-CE2 4.3Å; F31-F72 AromaticContact CZ-CG 3.95Å; F31-F72 HydrophobicContact CZ-CG 3.95Å; V35-F72 HydrophobicContact CG1-CD1 4.48Å; V35-F72 HydrophobicContact CG2-CE1 4.3Å; L37-F72 HydrophobicContact CD1-CE1 3.84Å; L37-F72 HydrophobicContact CD1-CZ 3.81Å; V48-F72 HydrophobicContact CG1-CE1 4.2Å; V48-F72 HydrophobicContact CG1-CZ 3.86Å; I52-F72 HydrophobicContact CD1-CE2 4.34Å; I52-F72 HydrophobicContact CD1-CZ 4.42Å; V68-F72 HydrophobicContact CG2-CE2 4.2Å; V68-F72 VanDerWaalsContact O-CD2 3.23Å; V68-F72 WeakPolarHBondContact O-CD2 3.15Å; L69-F72 PolarHBondContact O-N 3.45Å; L69-F72 VanDerWaalsContact O-N 3.1Å; K70-F72 PolarHBondContact O-N 2.87Å
73	A	88.7	Confident	93	Very high	10 Å²	10	51.6 Å²	51.6	8%	0.083	27%	0.266	C	S	.	.			trans	-150.7	139.4	175.2	0	0	0	0	0	111.9	I13 L17 L69 K70 D75 G76	I13-A73 HydrophobicContact CG2-CB 3.98Å; L17-A73 HydrophobicContact CD1-CB 3.47Å; L17-A73 VanDerWaalsContact CD1-CB 3.47Å; L69-A73 PolarHBondContact O-N 3.32Å; L69-A73 VanDerWaalsContact O-N 3.09Å; K70-A73 VanDerWaalsContact CA-O 3.27Å; K70-A73 WeakPolarHBondContact CA-O 3.44Å; A73-D75 VanDerWaalsContact CB-OD1 3.24Å; A73-D75 WeakPolarHBondContact CB-OD1 3.28Å; A73-D75 PolarHBondContact O-N 3.38Å; A73-D75 VanDerWaalsContact O-N 3.11Å; A73-G76 PolarHBondContact O-N 3.18Å
74	E	86.9	Confident	93.1	Very high	166 Å²	166	44.6 Å²	44.6	78%	0.776	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.7	-174.5	-66.8	172.1	112.4	0	0	113.7	K5	K5-E74 IonicContact NZ-OE2 2.8Å
75	D	87.8	Confident	93.1	Very high	119 Å²	119	48.9 Å²	48.9	64%	0.636	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	5.7	175.7	65.9	-34.7	0	0	0	113.7	A73 R77	A73-D75 VanDerWaalsContact CB-OD1 3.24Å; A73-D75 WeakPolarHBondContact CB-OD1 3.28Å; A73-D75 PolarHBondContact O-N 3.38Å; A73-D75 VanDerWaalsContact O-N 3.11Å; D75-R77 PolarHBondContact O-N 3.44Å
76	G	89.3	Confident	93.1	Very high	4 Å²	4	51.6 Å²	51.6	4%	0.041	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.4	132.7	169.9	0	0	0	0	0	111.3	K70 A73	K70-G76 WeakPolarHBondContact CE-O 3.22Å; K70-G76 WeakPolarHBondContact CG-O 3.48Å; A73-G76 PolarHBondContact O-N 3.18Å
77	R	94.1	Very high	93.1	Very high	51 Å²	51	48.7 Å²	48.7	19%	0.192	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.6	164.8	173.2	68.6	167.7	-179.2	89.8	-4	111.2	V20 A22 L69 D75 E83	V20-R77 VanDerWaalsContact O-CZ 3.3Å; V20-R77 PolarHBondContact O-NE 3.28Å; V20-R77 PolarHBondContact O-NH2 2.84Å; A22-R77 PolarHBondContact O-NH2 3.11Å; L69-R77 HydrophobicContact CD1-CG 3.9Å; D75-R77 PolarHBondContact O-N 3.44Å; R77-E83 IonicContact CZ-OE1 3.52Å; R77-E83 IonicContact CZ-OE2 3.74Å; R77-E83 IonicContact NH1-OE1 2.76Å; R77-E83 IonicContact NH1-OE2 2.71Å; R77-E83 PolarHBondContact NH1-OE2 3.48Å; R77-E83 IonicContact NH2-OE1 3.33Å; R77-E83 PolarHBondContact NH2-OE1 2.95Å; R77-E83 IonicContact NH2-OE2 3.88Å; R77-E83 PolarHBondContact NH2-OE2 3.29Å
78	D	95.6	Very high	93.2	Very high	64 Å²	64	45 Å²	45	34%	0.342	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-75	145.9	167.2	-58.9	-19	0	0	0	109.4	F67 K70	F67-D78 WeakPolarHBondContact CD1-OD1 3.38Å; F67-D78 WeakPolarHBondContact CE1-OD1 3.48Å; K70-D78 WeakPolarHBondContact CE-OD1 3.39Å; K70-D78 IonicContact NZ-OD1 3.67Å; K70-D78 PolarHBondContact NZ-OD1 2.91Å; K70-D78 IonicContact NZ-OD2 3.49Å
79	L	96.1	Very high	93.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-68.3	143	165.8	-62.7	-170.5	0	0	0	109.5	F26 K66 V68 L69 E83 T84 F87	F26-L79 HydrophobicContact CB-CD2 3.88Å; F26-L79 HydrophobicContact CD1-CD1 4.06Å; F26-L79 HydrophobicContact CD1-CD2 4.09Å; F26-L79 HydrophobicContact CD2-CD2 3.62Å; F26-L79 HydrophobicContact CE1-CD1 4.05Å; F26-L79 HydrophobicContact CE2-CD2 4.2Å; F26-L79 HydrophobicContact CG-CD1 4.37Å; F26-L79 HydrophobicContact CG-CD2 3.56Å; F26-L79 HydrophobicContact CZ-CD1 4.33Å; K66-L79 PolarHBondContact O-N 3.13Å; V68-L79 HydrophobicContact CG1-CD1 3.76Å; V68-L79 HydrophobicContact CG1-CG 4.22Å; L69-L79 HydrophobicContact CD1-CD2 3.82Å; L69-L79 HydrophobicContact CG-CD2 4.09Å; L79-E83 HydrophobicContact CB-CB 4.11Å; L79-E83 HydrophobicContact CD2-CB 4.44Å; L79-T84 WeakPolarHBondContact CB-OG1 3.47Å; L79-F87 HydrophobicContact CD1-CD1 4.01Å
80	T	96.6	Very high	93.3	Very high	36 Å²	36	52 Å²	52	22%	0.221	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.8	155.3	168.1	61.5	0	0	0	0	109.5	E23 A82 E83 T84	E23-T80 HydrophobicContact CB-CG2 3.91Å; E23-T80 HydrophobicContact CG-CG2 4.03Å; T80-A82 PolarHBondContact O-N 3.2Å; T80-E83 WeakPolarHBondContact CB-OE2 3.27Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.35Å; T80-E83 PolarHBondContact N-OE2 3.07Å; T80-E83 PolarHBondContact O-N 3.31Å; T80-E83 VanDerWaalsContact OG1-CD 3.27Å; T80-E83 VanDerWaalsContact OG1-CG 3.22Å; T80-E83 WeakPolarHBondContact OG1-CG 2.99Å; T80-E83 PolarHBondContact OG1-N 2.92Å; T80-E83 PolarHBondContact OG1-OE2 3.15Å; T80-T84 PolarHBondContact O-N 2.88Å; T80-T84 PolarHBondContact O-OG1 3.04Å
81	D	95.6	Very high	93.5	Very high	95 Å²	95	48 Å²	48	51%	0.508	27%	0.27	S	S	.	.	H	α-helix	trans	-56.9	-30.8	179.4	-59.2	-11.1	0	0	0	112.4	K66 K85	K66-D81 IonicContact NZ-OD1 2.6Å; K66-D81 PolarHBondContact NZ-OD1 2.71Å; D81-K85 WeakPolarHBondContact O-CB 3.45Å; D81-K85 VanDerWaalsContact O-CG 3.27Å; D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 3.01Å
82	A	95.8	Very high	93.8	Very high	74 Å²	74	47.5 Å²	47.5	61%	0.612	27%	0.265	S	S	*	.	H	α-helix	trans	-68.8	-41.8	174.9	0	0	0	0	0	112.3	T80 A86	T80-A82 PolarHBondContact O-N 3.2Å; A82-A86 WeakPolarHBondContact O-CB 3.43Å; A82-A86 PolarHBondContact O-N 2.98Å
83	E	96.6	Very high	94	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-69.9	-42.6	176.9	-71	166.2	138.3	0	0	111.6	G24 S25 F26 R77 L79 T80 K85 A86 F87	G24-E83 VanDerWaalsContact C-OE1 3.29Å; G24-E83 WeakPolarHBondContact CA-OE1 3.44Å; G24-E83 VanDerWaalsContact N-CD 3.33Å; G24-E83 PolarHBondContact N-OE1 3.49Å; S25-E83 PolarHBondContact N-OE1 3.37Å; S25-E83 VanDerWaalsContact N-OE1 3.16Å; F26-E83 HydrophobicContact CB-CB 4.21Å; F26-E83 HydrophobicContact CB-CG 3.9Å; F26-E83 WeakPolarHBondContact CB-OE1 3.39Å; F26-E83 PolarHBondContact N-OE1 2.66Å; R77-E83 IonicContact CZ-OE1 3.52Å; R77-E83 IonicContact CZ-OE2 3.74Å; R77-E83 IonicContact NH1-OE1 2.76Å; R77-E83 IonicContact NH1-OE2 2.71Å; R77-E83 PolarHBondContact NH1-OE2 3.48Å; R77-E83 IonicContact NH2-OE1 3.33Å; R77-E83 PolarHBondContact NH2-OE1 2.95Å; R77-E83 IonicContact NH2-OE2 3.88Å; R77-E83 PolarHBondContact NH2-OE2 3.29Å; L79-E83 HydrophobicContact CB-CB 4.11Å; L79-E83 HydrophobicContact CD2-CB 4.44Å; T80-E83 WeakPolarHBondContact CB-OE2 3.27Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.35Å; T80-E83 PolarHBondContact N-OE2 3.07Å; T80-E83 PolarHBondContact O-N 3.31Å; T80-E83 VanDerWaalsContact OG1-CD 3.27Å; T80-E83 VanDerWaalsContact OG1-CG 3.22Å; T80-E83 WeakPolarHBondContact OG1-CG 2.99Å; T80-E83 PolarHBondContact OG1-N 2.92Å; T80-E83 PolarHBondContact OG1-OE2 3.15Å; E83-K85 PolarHBondContact O-N 3.39Å; E83-A86 PolarHBondContact O-N 3.39Å; E83-F87 VanDerWaalsContact O-CB 3.31Å; E83-F87 WeakPolarHBondContact O-CB 3.38Å; E83-F87 PolarHBondContact O-N 3.15Å
84	T	96.3	Very high	94.3	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-48.5	176.6	-52.1	0	0	0	0	110.5	E62 L65 K66 L79 T80 A86 F87 L88	E62-T84 HydrophobicContact CG-CG2 3.74Å; E62-T84 WeakPolarHBondContact O-CG2 3.38Å; L65-T84 HydrophobicContact CB-CG2 4.08Å; L65-T84 HydrophobicContact CD2-CG2 4.13Å; L65-T84 HydrophobicContact CG-CG2 4.2Å; K66-T84 HydrophobicContact CB-CG2 4.31Å; L79-T84 WeakPolarHBondContact CB-OG1 3.47Å; T80-T84 PolarHBondContact O-N 2.88Å; T80-T84 PolarHBondContact O-OG1 3.04Å; T84-A86 PolarHBondContact O-N 3.21Å; T84-F87 PolarHBondContact O-N 3.37Å; T84-L88 WeakPolarHBondContact O-CB 3.23Å; T84-L88 PolarHBondContact O-N 3.22Å
85	K	95.2	Very high	94.7	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-40.8	176.9	-75	176.1	179.2	177	0	112.7	D81 E83 F87 L88 N89	D81-K85 WeakPolarHBondContact O-CB 3.45Å; D81-K85 VanDerWaalsContact O-CG 3.27Å; D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 3.01Å; E83-K85 PolarHBondContact O-N 3.39Å; K85-F87 VanDerWaalsContact C-N 3.29Å; K85-F87 PolarHBondContact O-N 3.13Å; K85-L88 PolarHBondContact O-N 3.46Å; K85-N89 VanDerWaalsContact O-CB 3.31Å; K85-N89 WeakPolarHBondContact O-CB 3.27Å; K85-N89 PolarHBondContact O-N 3.11Å; K85-N89 PolarHBondContact O-ND2 3.02Å; K85-N89 VanDerWaalsContact O-ND2 3.14Å
86	A	95.1	Very high	95.1	Very high	59 Å²	59	50.9 Å²	50.9	49%	0.488	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-37.4	177.1	0	0	0	0	0	111.9	A82 E83 T84 A90	A82-A86 WeakPolarHBondContact O-CB 3.43Å; A82-A86 PolarHBondContact O-N 2.98Å; E83-A86 PolarHBondContact O-N 3.39Å; T84-A86 PolarHBondContact O-N 3.21Å; A86-A90 WeakPolarHBondContact O-CB 3.36Å; A86-A90 PolarHBondContact O-N 3.29Å
87	F	95.2	Very high	95.3	Very high	3 Å²	3	52.5 Å²	52.5	1%	0.013	31%	0.312	C	S	.	.	H	α-helix	trans	-67.7	-52.9	174.4	-168.6	170.5	0	0	0	110.1	F26 H28 F32 L65 V68 L79 E83 T84 K85 N89 A90 A91 I99 L107	F26-F87 HydrophobicContact CD1-CD1 4.31Å; F26-F87 HydrophobicContact CE1-CB 4.22Å; F26-F87 AromaticContact CE1-CD1 3.22Å; F26-F87 HydrophobicContact CE1-CD1 3.22Å; F26-F87 AromaticContact CE1-CE1 3.71Å; F26-F87 HydrophobicContact CE1-CE1 3.71Å; F26-F87 AromaticContact CE1-CG 3.88Å; F26-F87 HydrophobicContact CE1-CG 3.88Å; F26-F87 AromaticContact CZ-CD1 3.58Å; F26-F87 HydrophobicContact CZ-CD1 3.58Å; F26-F87 AromaticContact CZ-CE1 3.54Å; F26-F87 HydrophobicContact CZ-CE1 3.54Å; H28-F87 HydrophobicContact CB-CD2 4.2Å; H28-F87 HydrophobicContact CB-CE1 4.49Å; H28-F87 HydrophobicContact CB-CE2 4.17Å; H28-F87 HydrophobicContact CB-CG 4.49Å; H28-F87 HydrophobicContact CB-CZ 4.28Å; F32-F87 HydrophobicContact CE1-CZ 4.46Å; F32-F87 HydrophobicContact CZ-CE2 4.33Å; F32-F87 AromaticContact CZ-CZ 3.76Å; F32-F87 HydrophobicContact CZ-CZ 3.76Å; L65-F87 HydrophobicContact CD1-CD1 3.55Å; L65-F87 HydrophobicContact CD1-CD2 4.18Å; L65-F87 HydrophobicContact CD1-CE1 3.49Å; L65-F87 VanDerWaalsContact CD1-CE1 3.49Å; L65-F87 HydrophobicContact CD1-CE2 4.01Å; L65-F87 HydrophobicContact CD1-CG 3.93Å; L65-F87 HydrophobicContact CD1-CZ 3.71Å; L65-F87 HydrophobicContact CD2-CB 4.05Å; L65-F87 HydrophobicContact CD2-CD1 4.32Å; L65-F87 HydrophobicContact CD2-CD2 4.45Å; L65-F87 HydrophobicContact CD2-CG 4.05Å; L65-F87 HydrophobicContact CG-CD1 3.97Å; L65-F87 HydrophobicContact CG-CE1 4.38Å; L65-F87 HydrophobicContact CG-CG 4.22Å; V68-F87 HydrophobicContact CG1-CD1 4.49Å; V68-F87 HydrophobicContact CG1-CE1 4.02Å; V68-F87 HydrophobicContact CG2-CE1 4.37Å; L79-F87 HydrophobicContact CD1-CD1 4.01Å; E83-F87 VanDerWaalsContact O-CB 3.31Å; E83-F87 WeakPolarHBondContact O-CB 3.38Å; E83-F87 PolarHBondContact O-N 3.15Å; T84-F87 PolarHBondContact O-N 3.37Å; K85-F87 VanDerWaalsContact C-N 3.29Å; K85-F87 PolarHBondContact O-N 3.13Å; F87-N89 VanDerWaalsContact C-N 3.33Å; F87-N89 PolarHBondContact O-N 3.09Å; F87-A90 WeakPolarHBondContact O-CA 3.45Å; F87-A90 WeakPolarHBondContact O-CB 3.27Å; F87-A90 PolarHBondContact O-N 3.29Å; F87-A91 HydrophobicContact CD2-CB 4.36Å; F87-A91 HydrophobicContact CE2-CB 4.43Å; F87-A91 PolarHBondContact O-N 3.44Å; F87-I99 HydrophobicContact CE2-CD1 4.47Å; F87-L107 HydrophobicContact CD2-CD2 4.03Å; F87-L107 HydrophobicContact CE2-CD2 3.33Å; F87-L107 HydrophobicContact CZ-CD2 4.26Å
88	L	95.5	Very high	95.4	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-53.8	-50.1	179.3	-175.8	62.7	0	0	0	111.4	L65 T84 K85 A90 A91 D92 I99	L65-L88 HydrophobicContact CD2-CB 3.85Å; L65-L88 HydrophobicContact CD2-CD1 4.41Å; T84-L88 WeakPolarHBondContact O-CB 3.23Å; T84-L88 PolarHBondContact O-N 3.22Å; K85-L88 PolarHBondContact O-N 3.46Å; L88-A90 PolarHBondContact O-N 3.1Å; L88-A90 VanDerWaalsContact O-N 3.16Å; L88-A91 PolarHBondContact O-N 3.31Å; L88-D92 HydrophobicContact CD1-CB 4.1Å; L88-D92 HydrophobicContact CG-CB 4.41Å; L88-D92 VanDerWaalsContact O-CB 3.32Å; L88-D92 WeakPolarHBondContact O-CB 3.39Å; L88-D92 PolarHBondContact O-N 3.42Å; L88-I99 HydrophobicContact CD1-CD1 4.24Å; L88-I99 HydrophobicContact CD1-CG1 3.83Å
89	N	94.8	Very high	95.5	Very high	124 Å²	124	49.7 Å²	49.7	66%	0.663	30%	0.298	S	S	*	.	H	α-helix	trans	-61.7	-25.6	178.2	-68.6	-22.7	0	0	0	114.1	K85 F87	K85-N89 VanDerWaalsContact O-CB 3.31Å; K85-N89 WeakPolarHBondContact O-CB 3.27Å; K85-N89 PolarHBondContact O-N 3.11Å; K85-N89 PolarHBondContact O-ND2 3.02Å; K85-N89 VanDerWaalsContact O-ND2 3.14Å; F87-N89 VanDerWaalsContact C-N 3.33Å; F87-N89 PolarHBondContact O-N 3.09Å
90	A	94.2	Very high	95.6	Very high	23 Å²	23	50.2 Å²	50.2	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-79.8	-31.3	175.6	0	0	0	0	0	111.8	A86 F87 L88 K93 L107	A86-A90 WeakPolarHBondContact O-CB 3.36Å; A86-A90 PolarHBondContact O-N 3.29Å; F87-A90 WeakPolarHBondContact O-CA 3.45Å; F87-A90 WeakPolarHBondContact O-CB 3.27Å; F87-A90 PolarHBondContact O-N 3.29Å; L88-A90 PolarHBondContact O-N 3.1Å; L88-A90 VanDerWaalsContact O-N 3.16Å; A90-K93 WeakPolarHBondContact O-CE 3.22Å; A90-K93 PolarHBondContact O-NZ 3.18Å; A90-L107 HydrophobicContact CB-CD1 4.44Å
91	A	95.1	Very high	95.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-91.3	-51	-172.9	0	0	0	0	0	113.2	F87 L88 K93 I99 L107	F87-A91 HydrophobicContact CD2-CB 4.36Å; F87-A91 HydrophobicContact CE2-CB 4.43Å; F87-A91 PolarHBondContact O-N 3.44Å; L88-A91 PolarHBondContact O-N 3.31Å; A91-K93 WeakPolarHBondContact O-CG 3.13Å; A91-K93 PolarHBondContact O-N 2.83Å; A91-K93 VanDerWaalsContact O-N 3.13Å; A91-I99 HydrophobicContact CB-CB 4.45Å; A91-I99 HydrophobicContact CB-CD1 3.37Å; A91-I99 HydrophobicContact CB-CG1 3.61Å; A91-I99 HydrophobicContact CB-CG2 4Å; A91-L107 HydrophobicContact CB-CD1 4.47Å; A91-L107 HydrophobicContact CB-CD2 3.71Å
92	D	96.3	Very high	95.5	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.144	31%	0.31	C	S	.	.			trans	-67.4	102.2	-178.3	178	6	0	0	0	110.1	L88 G95 D96 G97	L88-D92 HydrophobicContact CD1-CB 4.1Å; L88-D92 HydrophobicContact CG-CB 4.41Å; L88-D92 VanDerWaalsContact O-CB 3.32Å; L88-D92 WeakPolarHBondContact O-CB 3.39Å; L88-D92 PolarHBondContact O-N 3.42Å; D92-G95 WeakPolarHBondContact OD1-CA 3.17Å; D92-G95 PolarHBondContact OD1-N 2.93Å; D92-G95 WeakPolarHBondContact OD2-CA 3.46Å; D92-D96 PolarHBondContact OD1-N 3.45Å; D92-G97 VanDerWaalsContact OD2-CA 3.3Å; D92-G97 WeakPolarHBondContact OD2-CA 3.48Å; D92-G97 PolarHBondContact OD2-N 3.07Å
93	K	94.2	Very high	95.5	Very high	124 Å²	124	49.3 Å²	49.3	54%	0.539	29%	0.286	S	S	.	.	S	Bend	trans	-95	-26.9	-177.8	-62.7	-47.2	-171.4	-167	0	112.1	A90 A91 E103	A90-K93 WeakPolarHBondContact O-CE 3.22Å; A90-K93 PolarHBondContact O-NZ 3.18Å; A91-K93 WeakPolarHBondContact O-CG 3.13Å; A91-K93 PolarHBondContact O-N 2.83Å; A91-K93 VanDerWaalsContact O-N 3.13Å; K93-E103 PolarHBondContact N-OE1 2.82Å
94	D	95.4	Very high	95.5	Very high	113 Å²	113	49 Å²	49	60%	0.604	28%	0.284	S	S	*	.	S	Bend	trans	-92.9	-12.8	-179.4	75.1	14.3	0	0	0	113.8	D96 E103	D94-D96 VanDerWaalsContact OD1-CB 3.28Å; D94-D96 WeakPolarHBondContact OD1-CB 3.47Å; D94-D96 PolarHBondContact OD1-N 3.11Å; D94-E103 PolarHBondContact N-OE1 2.89Å
95	G	94.4	Very high	95.4	Very high	61 Å²	61	51.9 Å²	51.9	63%	0.629	30%	0.298	S	S	*	.			trans	81.3	23.5	174.1	0	0	0	0	0	113.7	D92 G97	D92-G95 WeakPolarHBondContact OD1-CA 3.17Å; D92-G95 PolarHBondContact OD1-N 2.93Å; D92-G95 WeakPolarHBondContact OD2-CA 3.46Å; G95-G97 VanDerWaalsContact C-N 3.29Å
96	D	95.3	Very high	95.3	Very high	69 Å²	69	50.5 Å²	50.5	37%	0.369	30%	0.299	S	S	.	.	S	Bend	trans	-83.5	-3.2	-179.6	81.7	-6.9	0	0	0	114	D92 D94 K98	D92-D96 PolarHBondContact OD1-N 3.45Å; D94-D96 VanDerWaalsContact OD1-CB 3.28Å; D94-D96 WeakPolarHBondContact OD1-CB 3.47Å; D94-D96 PolarHBondContact OD1-N 3.11Å; D96-K98 VanDerWaalsContact CG-CG 3.44Å; D96-K98 WeakPolarHBondContact OD1-CG 3.21Å; D96-K98 PolarHBondContact OD1-N 3.16Å; D96-K98 VanDerWaalsContact OD1-O 3.14Å; D96-K98 WeakPolarHBondContact OD2-CE 3.41Å; D96-K98 WeakPolarHBondContact OD2-CG 3.47Å; D96-K98 IonicContact OD2-NZ 3.63Å
97	G	94.7	Very high	95.2	Very high	38 Å²	38	48 Å²	48	39%	0.392	28%	0.277	S	S	.	.	S	Bend	trans	84.3	9.7	175.4	0	0	0	0	0	114.3	D92 G95	D92-G97 VanDerWaalsContact OD2-CA 3.3Å; D92-G97 WeakPolarHBondContact OD2-CA 3.48Å; D92-G97 PolarHBondContact OD2-N 3.07Å; G95-G97 VanDerWaalsContact C-N 3.29Å
98	K	96.3	Very high	95.1	Very high	56 Å²	56	47.9 Å²	47.9	24%	0.243	28%	0.277	C	S	.	.	S	Bend	trans	-142.1	176.2	178.8	53.9	-172.6	-175.4	167.5	0	108.8	F59 D96	F59-K98 HydrophobicContact CB-CB 4.08Å; F59-K98 HydrophobicContact CB-CD 3.67Å; F59-K98 HydrophobicContact CB-CG 4.06Å; F59-K98 HydrophobicContact CD1-CD 3.57Å; F59-K98 VanDerWaalsContact CD1-CE 3.41Å; F59-K98 HydrophobicContact CD1-CG 3.8Å; F59-K98 HydrophobicContact CD2-CD 4.03Å; F59-K98 VanDerWaalsContact CD2-NZ 3.33Å; F59-K98 HydrophobicContact CE1-CD 4.2Å; F59-K98 HydrophobicContact CG-CD 3.47Å; F59-K98 VanDerWaalsContact CG-CD 3.47Å; F59-K98 HydrophobicContact CG-CG 4.07Å; F59-K98 VanDerWaalsContact CZ-NZ 3.3Å; D96-K98 VanDerWaalsContact CG-CG 3.44Å; D96-K98 WeakPolarHBondContact OD1-CG 3.21Å; D96-K98 PolarHBondContact OD1-N 3.16Å; D96-K98 VanDerWaalsContact OD1-O 3.14Å; D96-K98 WeakPolarHBondContact OD2-CE 3.41Å; D96-K98 WeakPolarHBondContact OD2-CG 3.47Å; D96-K98 IonicContact OD2-NZ 3.63Å
99	I	97.6	Very high	94.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-118.7	115.8	-176.4	-51.5	167.3	0	0	0	108.6	F49 F59 I60 L65 F87 L88 A91 E103 F104	F49-I99 WeakPolarHBondContact CE2-O 3.31Å; F59-I99 WeakPolarHBondContact CA-O 3.45Å; I60-I99 HydrophobicContact CB-CB 4.2Å; I60-I99 PolarHBondContact N-O 2.92Å; I60-I99 PolarHBondContact O-N 2.97Å; L65-I99 HydrophobicContact CD1-CD1 3.9Å; L65-I99 HydrophobicContact CD2-CD1 3.95Å; F87-I99 HydrophobicContact CE2-CD1 4.47Å; L88-I99 HydrophobicContact CD1-CD1 4.24Å; L88-I99 HydrophobicContact CD1-CG1 3.83Å; A91-I99 HydrophobicContact CB-CB 4.45Å; A91-I99 HydrophobicContact CB-CD1 3.37Å; A91-I99 HydrophobicContact CB-CG1 3.61Å; A91-I99 HydrophobicContact CB-CG2 4Å; I99-E103 WeakPolarHBondContact CA-OE2 3.45Å; I99-E103 HydrophobicContact CG2-CB 4Å; I99-F104 HydrophobicContact CG2-CB 4.07Å
100	G	97.4	Very high	94.3	Very high	12 Å²	12	47.3 Å²	47.3	12%	0.124	27%	0.269	C	S	.	.			trans	-77.3	165.2	171.9	0	0	0	0	0	112.9	D102 E103 F104	G100-D102 VanDerWaalsContact C-N 3.31Å; G100-D102 PolarHBondContact O-N 3.33Å; G100-E103 PolarHBondContact N-OE2 2.83Å; G100-E103 PolarHBondContact O-N 2.96Å; G100-F104 WeakPolarHBondContact O-CB 3.37Å; G100-F104 PolarHBondContact O-N 3.07Å
101	I	95.4	Very high	92.7	Very high	45 Å²	45	54.4 Å²	54.4	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-41.4	178.3	-179.5	58.9	0	0	0	112.7	K46 F49 E103 F104 E105	K46-I101 HydrophobicContact CB-CD1 3.99Å; K46-I101 HydrophobicContact CG-CD1 4.01Å; K46-I101 HydrophobicContact CG-CG1 4.38Å; F49-I101 HydrophobicContact CB-CD1 3.68Å; F49-I101 HydrophobicContact CD1-CB 4.47Å; F49-I101 HydrophobicContact CD1-CD1 4.1Å; F49-I101 HydrophobicContact CD2-CD1 4.08Å; F49-I101 HydrophobicContact CE1-CB 4.41Å; F49-I101 HydrophobicContact CE2-CB 4.44Å; F49-I101 HydrophobicContact CG-CD1 3.68Å; F49-I101 HydrophobicContact CZ-CB 4.38Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 2.76Å; I101-F104 PolarHBondContact O-N 2.8Å; I101-E105 WeakPolarHBondContact O-CB 3.24Å; I101-E105 PolarHBondContact O-N 3.04Å
102	D	95.1	Very high	92.6	Very high	121 Å²	121	57.1 Å²	57.1	65%	0.647	33%	0.325	S	S	*	.	H	α-helix	trans	-66.8	-37.7	-178.9	-64	-24.6	0	0	0	110.9	G100 E105 V106	G100-D102 VanDerWaalsContact C-N 3.31Å; G100-D102 PolarHBondContact O-N 3.33Å; D102-E105 PolarHBondContact O-N 2.71Å; D102-V106 WeakPolarHBondContact O-CG2 3.05Å; D102-V106 PolarHBondContact O-N 3.26Å; D102-V106 VanDerWaalsContact O-N 3.07Å
103	E	96.3	Very high	92.4	Very high	21 Å²	21	58.6 Å²	58.6	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-69.3	-41.7	176.3	-62.2	178.6	129	0	0	111.6	K93 D94 I99 G100 I101 E105 V106 L107	K93-E103 PolarHBondContact N-OE1 2.82Å; D94-E103 PolarHBondContact N-OE1 2.89Å; I99-E103 WeakPolarHBondContact CA-OE2 3.45Å; I99-E103 HydrophobicContact CG2-CB 4Å; G100-E103 PolarHBondContact N-OE2 2.83Å; G100-E103 PolarHBondContact O-N 2.96Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 2.76Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E103-E105 PolarHBondContact O-N 2.92Å; E103-V106 PolarHBondContact O-N 2.92Å; E103-L107 VanDerWaalsContact O-CB 3.31Å; E103-L107 WeakPolarHBondContact O-CB 3.44Å; E103-L107 PolarHBondContact O-N 3.07Å
104	F	95.4	Very high	92.3	Very high	2 Å²	2	55 Å²	55	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-41.2	174.7	-173.2	-105.5	0	0	0	111.7	F32 V45 V48 F49 I52 I60 I99 G100 I101 L107 V108	F32-F104 AromaticContact CZ-CE2 3.86Å; F32-F104 HydrophobicContact CZ-CE2 3.86Å; F32-F104 HydrophobicContact CZ-CZ 4.33Å; V45-F104 HydrophobicContact CG1-CD1 3.67Å; V45-F104 HydrophobicContact CG1-CE1 3.75Å; V48-F104 HydrophobicContact CB-CE1 4.4Å; V48-F104 HydrophobicContact CG1-CE1 4.14Å; V48-F104 HydrophobicContact CG1-CZ 3.99Å; F49-F104 HydrophobicContact CB-CD1 3.89Å; F49-F104 HydrophobicContact CB-CE1 4.14Å; F49-F104 HydrophobicContact CD2-CB 3.8Å; F49-F104 HydrophobicContact CD2-CD1 4.04Å; F49-F104 AromaticContact CD2-CG 3.9Å; F49-F104 HydrophobicContact CD2-CG 3.9Å; F49-F104 HydrophobicContact CE2-CB 4.32Å; F49-F104 HydrophobicContact CG-CD1 4.48Å; I52-F104 HydrophobicContact CD1-CE2 4.04Å; I52-F104 HydrophobicContact CD1-CZ 3.83Å; I60-F104 HydrophobicContact CD1-CD2 3.99Å; I60-F104 HydrophobicContact CD1-CE2 4.25Å; I60-F104 HydrophobicContact CD1-CG 4.46Å; I99-F104 HydrophobicContact CG2-CB 4.07Å; G100-F104 WeakPolarHBondContact O-CB 3.37Å; G100-F104 PolarHBondContact O-N 3.07Å; I101-F104 PolarHBondContact O-N 2.8Å; F104-L107 PolarHBondContact O-N 3.42Å; F104-V108 HydrophobicContact CD1-CG2 4.15Å; F104-V108 HydrophobicContact CE1-CG2 3.8Å; F104-V108 HydrophobicContact CE2-CG2 4.28Å; F104-V108 HydrophobicContact CZ-CG2 3.86Å; F104-V108 WeakPolarHBondContact O-CB 3.19Å; F104-V108 VanDerWaalsContact O-CG2 3.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.17Å; F104-V108 PolarHBondContact O-N 2.97Å
105	E	93.9	Very high	92.1	Very high	62 Å²	62	51.6 Å²	51.6	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-46.2	176.2	-173.7	174.1	161.2	0	0	111.7	P42 I101 D102 E103 L107 V108 H109	P42-E105 WeakPolarHBondContact CG-OE1 3.5Å; I101-E105 WeakPolarHBondContact O-CB 3.24Å; I101-E105 PolarHBondContact O-N 3.04Å; D102-E105 PolarHBondContact O-N 2.71Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E103-E105 PolarHBondContact O-N 2.92Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 2.88Å; E105-V108 PolarHBondContact O-N 2.87Å; E105-H109 PolarHBondContact O-CD2 3.11Å; E105-H109 PolarHBondContact O-N 3.37Å; E105-H109 VanDerWaalsContact O-N 3.12Å
106	V	93.1	Very high	92	Very high	85 Å²	85	51 Å²	51	52%	0.515	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-43.5	174.9	170	0	0	0	0	110.9	D102 E103 H109 E110	D102-V106 WeakPolarHBondContact O-CG2 3.05Å; D102-V106 PolarHBondContact O-N 3.26Å; D102-V106 VanDerWaalsContact O-N 3.07Å; E103-V106 PolarHBondContact O-N 2.92Å; V106-H109 CarbonylContact O-C 3.44Å; V106-H109 PolarHBondContact O-N 2.9Å; V106-E110 PolarHBondContact O-N 2.6Å
107	L	93.5	Very high	91.7	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-40.8	-179.5	-170.4	74.7	0	0	0	112.6	F32 F87 A90 A91 E103 F104 E105 H109 E110	F32-L107 HydrophobicContact CE2-CD2 3.8Å; F32-L107 HydrophobicContact CE2-CG 3.97Å; F32-L107 HydrophobicContact CZ-CD2 4.33Å; F87-L107 HydrophobicContact CD2-CD2 4.03Å; F87-L107 HydrophobicContact CE2-CD2 3.33Å; F87-L107 HydrophobicContact CZ-CD2 4.26Å; A90-L107 HydrophobicContact CB-CD1 4.44Å; A91-L107 HydrophobicContact CB-CD1 4.47Å; A91-L107 HydrophobicContact CB-CD2 3.71Å; E103-L107 VanDerWaalsContact O-CB 3.31Å; E103-L107 WeakPolarHBondContact O-CB 3.44Å; E103-L107 PolarHBondContact O-N 3.07Å; F104-L107 PolarHBondContact O-N 3.42Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 2.88Å; L107-H109 VanDerWaalsContact C-N 3.34Å; L107-E110 WeakPolarHBondContact O-CB 3.22Å; L107-E110 PolarHBondContact O-N 3.26Å
108	V	92.5	Very high	91.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-37.9	178.1	166.5	0	0	0	0	111.8	F32 L37 V45 F104 E105	F32-V108 HydrophobicContact CD2-CB 4.45Å; F32-V108 HydrophobicContact CD2-CG2 3.93Å; F32-V108 HydrophobicContact CE2-CG2 3.84Å; F32-V108 HydrophobicContact CG-CG2 4.44Å; F32-V108 HydrophobicContact CZ-CG2 4.28Å; L37-V108 HydrophobicContact CB-CG1 3.85Å; L37-V108 WeakPolarHBondContact O-CG1 3.35Å; V45-V108 HydrophobicContact CG1-CB 4.38Å; V45-V108 HydrophobicContact CG1-CG2 4.19Å; V45-V108 HydrophobicContact CG2-CG1 3.99Å; F104-V108 HydrophobicContact CD1-CG2 4.15Å; F104-V108 HydrophobicContact CE1-CG2 3.8Å; F104-V108 HydrophobicContact CE2-CG2 4.28Å; F104-V108 HydrophobicContact CZ-CG2 3.86Å; F104-V108 WeakPolarHBondContact O-CB 3.19Å; F104-V108 VanDerWaalsContact O-CG2 3.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.17Å; F104-V108 PolarHBondContact O-N 2.97Å; E105-V108 PolarHBondContact O-N 2.87Å
109	H	90.1	Very high	91.2	Very high	65 Å²	65	50.2 Å²	50.2	30%	0.301	28%	0.275	S	S	.	.	H	α-helix	trans	-92.7	4	-179.5	-67.7	-62.5	0	0	0	114.1	K38 M40 E105 V106 L107 V111	K38-H109 PolarHBondContact O-CE1 3.45Å; K38-H109 PolarHBondContact O-ND1 2.8Å; M40-H109 PolarHBondContact O-CE1 3.31Å; E105-H109 PolarHBondContact O-CD2 3.11Å; E105-H109 PolarHBondContact O-N 3.37Å; E105-H109 VanDerWaalsContact O-N 3.12Å; V106-H109 CarbonylContact O-C 3.44Å; V106-H109 PolarHBondContact O-N 2.9Å; L107-H109 VanDerWaalsContact C-N 3.34Å; H109-V111 PolarHBondContact O-N 3.46Å
110	E	85.3	Confident	90.6	Very high	61 Å²	61	54.4 Å²	54.4	29%	0.285	30%	0.298	S	S	.	.			trans	-60.1	133.9	178.8	-157.1	179.7	-134.9	0	0	110.8	K29 K38 V106 L107	K29-E110 WeakPolarHBondContact CE-OE2 3.32Å; K29-E110 IonicContact NZ-OE2 3.92Å; K29-E110 PolarHBondContact NZ-OE2 3.35Å; K38-E110 PolarHBondContact NZ-O 2.98Å; V106-E110 PolarHBondContact O-N 2.6Å; L107-E110 WeakPolarHBondContact O-CB 3.22Å; L107-E110 PolarHBondContact O-N 3.26Å
111	V	59.6	Low	90	Very high	172 Å²	172	58.3 Å²	58.3	100%	1.042	31%	0.314	S	S	*	.			trans	-98.5	0	-177.9	-86.5	0	0	0	0	112.7	H109	H109-V111 PolarHBondContact O-N 3.46Å

Retrieved 111 of 111 residues in 44.1 ms (Link to these results)

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