A0A090BML5_HUMAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A090BML5, Species HUMAN (Homo sapiens, Human), Gene PLK4, Length 105 aa.

						>A0A090BML5_HUMAN|A0A090BML5|PLK4
MATCIGEKIEDFKVGNLLGKGSFAGVYRAESIHTGLEVAIKMIDKKAMYKAGMVQRVQNEVKIHCQLKHPSILELDTSCTRSSQGCCIFILMVYYTGTSHFLTSY
					

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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	33.3	Very low	55.6	Low	237 Å²	237	97.4 Å²	97.4	100%	1.167	53%	0.533	S	S	*	.				0	115.7	0	-70.5	-178.6	170.3	0	0	106.2	T3	M1-T3 PolarHBondContact O-N 2.83Å; M1-T3 VanDerWaalsContact O-N 3.15Å
2	A	37.7	Very low	57.5	Low	91 Å²	91	90.7 Å²	90.7	75%	0.752	50%	0.495	S	S	*	.			trans	-73.1	103.4	174.1	0	0	0	0	0	106.9	C4	A2-C4 PolarHBondContact O-N 2.97Å
3	T	44	Very low	59.6	Low	91 Å²	91	94.9 Å²	94.9	56%	0.558	51%	0.505	S	S	*	.			trans	-66.6	110.3	168.7	30	0	0	0	0	107	M1 I5	M1-T3 PolarHBondContact O-N 2.83Å; M1-T3 VanDerWaalsContact O-N 3.15Å; T3-I5 WeakPolarHBondContact O-CG1 3.28Å; T3-I5 PolarHBondContact O-N 3.13Å
4	C	50.2	Low	61.3	Low	110 Å²	110	92.3 Å²	92.3	74%	0.743	49%	0.494	S	S	*	.			trans	-66.7	101	173.5	-49.4	0	0	0	0	107.4	A2 G6	A2-C4 PolarHBondContact O-N 2.97Å; C4-G6 PolarHBondContact O-N 2.61Å
5	I	57.7	Low	62.9	Low	34 Å²	34	89.2 Å²	89.2	17%	0.174	49%	0.493	C	S	.	.			trans	-70.2	-19	-172.2	-69.5	156.5	0	0	0	111.3	T3 F12 S31 L36 V38 M92	T3-I5 WeakPolarHBondContact O-CG1 3.28Å; T3-I5 PolarHBondContact O-N 3.13Å; I5-F12 HydrophobicContact CG2-CE1 3.67Å; I5-F12 HydrophobicContact CG2-CZ 3.98Å; I5-F12 WeakPolarHBondContact O-CE1 3.41Å; I5-F12 WeakPolarHBondContact O-CZ 3.47Å; I5-S31 PolarHBondContact O-OG 2.87Å; I5-L36 HydrophobicContact CG1-CD1 4.4Å; I5-V38 HydrophobicContact CG2-CG1 4.48Å; I5-M92 HydrophobicContact CB-SD 4.47Å; I5-M92 HydrophobicContact CG2-CE 3.52Å; I5-M92 HydrophobicContact CG2-SD 3.64Å
6	G	53.1	Low	64.2	Low	15 Å²	15	91.6 Å²	91.6	16%	0.155	51%	0.505	C	S	.	.			trans	137.2	139.6	174.7	0	0	0	0	0	110.7	C4 F12	C4-G6 PolarHBondContact O-N 2.61Å; G6-F12 WeakPolarHBondContact O-CZ 3.41Å
7	E	55	Low	65.5	Low	151 Å²	151	91.1 Å²	91.1	71%	0.706	50%	0.501	S	S	*	.	S	Bend	trans	-93.9	-14.9	-176.1	-66.8	178.5	90.4	0	0	113	S78	E7-S78 WeakPolarHBondContact O-CB 3.3Å
8	K	62.9	Low	66.5	Low	115 Å²	115	88.9 Å²	88.9	50%	0.5	49%	0.488	S	S	.	.	S	Bend	trans	-130.7	153.7	-177.5	-57	176.6	-178.5	173.5	0	111.8	E10 D11 F12	K8-E10 PolarHBondContact O-N 3.04Å; K8-E10 VanDerWaalsContact O-N 3.12Å; K8-D11 WeakPolarHBondContact CB-OD2 3.18Å; K8-D11 PolarHBondContact N-OD2 2.65Å; K8-D11 WeakPolarHBondContact O-CB 3.36Å; K8-D11 PolarHBondContact O-N 3.08Å; K8-F12 WeakPolarHBondContact O-CD2 3.37Å; K8-F12 VanDerWaalsContact O-CE2 3.29Å; K8-F12 WeakPolarHBondContact O-CE2 3.42Å
9	I	67.9	Low	67.1	Low	40 Å²	40	85 Å²	85	21%	0.205	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-54.2	-30.7	172.7	-164.8	77.6	0	0	0	112.7	D11 F12 V14 I40 M42 I90	I9-D11 PolarHBondContact O-N 3.45Å; I9-F12 PolarHBondContact O-N 3.45Å; I9-V14 HydrophobicContact CD1-CG2 3.99Å; I9-V14 HydrophobicContact CG1-CG2 4.22Å; I9-I40 HydrophobicContact CD1-CD1 3.75Å; I9-I40 HydrophobicContact CD1-CG2 3.96Å; I9-M42 HydrophobicContact CD1-CE 3.95Å; I9-I90 HydrophobicContact CB-CD1 3.79Å; I9-I90 HydrophobicContact CD1-CD1 3.61Å; I9-I90 HydrophobicContact CD1-CG1 4.1Å; I9-I90 HydrophobicContact CG1-CD1 4.2Å
10	E	73.1	Confident	67.7	Low	147 Å²	147	89.8 Å²	89.8	69%	0.687	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.3	-179.7	-60.9	173.5	95.5	0	0	112.5	K8 F12 I32	K8-E10 PolarHBondContact O-N 3.04Å; K8-E10 VanDerWaalsContact O-N 3.12Å; E10-F12 PolarHBondContact O-N 3.1Å; E10-I32 WeakPolarHBondContact O-CD1 3.47Å
11	D	76.8	Confident	67.9	Low	40 Å²	40	87.5 Å²	87.5	21%	0.214	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-78.5	-3	174.7	-60.2	-70.7	0	0	0	112.5	K8 I9 I32 H33	K8-D11 WeakPolarHBondContact CB-OD2 3.18Å; K8-D11 PolarHBondContact N-OD2 2.65Å; K8-D11 WeakPolarHBondContact O-CB 3.36Å; K8-D11 PolarHBondContact O-N 3.08Å; I9-D11 PolarHBondContact O-N 3.45Å; D11-I32 WeakPolarHBondContact O-CB 3.48Å; D11-I32 WeakPolarHBondContact O-CG1 3.46Å; D11-I32 PolarHBondContact O-N 3.31Å; D11-H33 IonicContact OD1-CD2 3.66Å; D11-H33 IonicContact OD1-CE1 3.71Å; D11-H33 IonicContact OD1-NE2 2.73Å; D11-H33 PolarHBondContact OD1-NE2 3.27Å
12	F	78.4	Confident	69.6	Low	17 Å²	17	81.5 Å²	81.5	8%	0.075	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.8	179.4	-58.8	-70.8	0	0	0	111.3	I5 G6 K8 I9 E10 V14 A29 E30 V38 I40 M92	I5-F12 HydrophobicContact CG2-CE1 3.67Å; I5-F12 HydrophobicContact CG2-CZ 3.98Å; I5-F12 WeakPolarHBondContact O-CE1 3.41Å; I5-F12 WeakPolarHBondContact O-CZ 3.47Å; G6-F12 WeakPolarHBondContact O-CZ 3.41Å; K8-F12 WeakPolarHBondContact O-CD2 3.37Å; K8-F12 VanDerWaalsContact O-CE2 3.29Å; K8-F12 WeakPolarHBondContact O-CE2 3.42Å; I9-F12 PolarHBondContact O-N 3.45Å; E10-F12 PolarHBondContact O-N 3.1Å; F12-V14 PolarHBondContact O-N 3.13Å; F12-A29 HydrophobicContact CB-CB 4.15Å; F12-E30 CarbonylContact C-O 3.55Å; F12-E30 WeakPolarHBondContact CA-O 3.45Å; F12-V38 HydrophobicContact CD1-CG2 4.16Å; F12-I40 HydrophobicContact CB-CD1 3.79Å; F12-I40 HydrophobicContact CD2-CD1 4.31Å; F12-I40 HydrophobicContact CG-CD1 4.02Å; F12-M92 HydrophobicContact CD1-CE 3.46Å; F12-M92 VanDerWaalsContact CD1-CE 3.46Å; F12-M92 HydrophobicContact CD2-CE 4.41Å; F12-M92 HydrophobicContact CE1-CE 2.95Å; F12-M92 HydrophobicContact CE1-SD 4.31Å; F12-M92 HydrophobicContact CE2-CE 3.97Å; F12-M92 HydrophobicContact CG-CE 4.2Å; F12-M92 HydrophobicContact CZ-CE 3.22Å; F12-M92 HydrophobicContact CZ-SD 4.14Å
13	K	85.1	Confident	71.2	Confident	146 Å²	146	80.7 Å²	80.7	64%	0.635	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	89.2	170.6	-167.8	175.4	-176.8	-179.4	0	109.3	G15 A29 E30 I32	K13-G15 PolarHBondContact O-N 2.76Å; K13-A29 CarbonylContact O-C 3.56Å; K13-A29 WeakPolarHBondContact O-CA 3.33Å; K13-E30 HydrophobicContact CB-CB 4.48Å; K13-E30 PolarHBondContact N-O 3.35Å; K13-E30 PolarHBondContact O-N 2.73Å; K13-I32 HydrophobicContact CB-CG1 4.36Å
14	V	83.7	Confident	72.6	Confident	58 Å²	58	77.1 Å²	77.1	35%	0.352	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	123.3	174.8	-170.1	0	0	0	0	109.6	I9 F12 Y27 A29 I40 M42	I9-V14 HydrophobicContact CD1-CG2 3.99Å; I9-V14 HydrophobicContact CG1-CG2 4.22Å; F12-V14 PolarHBondContact O-N 3.13Å; V14-Y27 HydrophobicContact CG1-CD1 4.31Å; V14-Y27 HydrophobicContact CG1-CG 4.09Å; V14-A29 HydrophobicContact CB-CB 4.47Å; V14-A29 HydrophobicContact CG2-CB 4.27Å; V14-I40 HydrophobicContact CG2-CD1 4.25Å; V14-M42 HydrophobicContact CG1-CE 3.99Å; V14-M42 HydrophobicContact CG2-CE 4.11Å
15	G	84.2	Confident	74.1	Confident	46 Å²	46	72.3 Å²	72.3	47%	0.474	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-132.2	178.7	0	0	0	0	0	112	K13 R28	K13-G15 PolarHBondContact O-N 2.76Å; G15-R28 CarbonylContact C-O 3.47Å; G15-R28 WeakPolarHBondContact CA-O 3.33Å; G15-R28 PolarHBondContact N-O 2.84Å
16	N	84.8	Confident	75.2	Confident	128 Å²	128	72.4 Å²	72.4	68%	0.684	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	145	-171	-74.7	-58	0	0	0	113.4	L18 Y27 R28	N16-L18 PolarHBondContact O-N 2.72Å; N16-Y27 CarbonylContact O-C 3.6Å; N16-R28 WeakPolarHBondContact O-CB 3.48Å; N16-R28 PolarHBondContact O-N 2.79Å
17	L	85.7	Confident	76.6	Confident	82 Å²	82	75.3 Å²	75.3	43%	0.429	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	117.1	167.9	-176.5	74	0	0	0	109.3	K20 V26 Y27	L17-K20 HydrophobicContact CD2-CB 4.16Å; L17-V26 CarbonylContact C-O 3.39Å; L17-V26 VanDerWaalsContact CD1-O 3.3Å; L17-V26 WeakPolarHBondContact CD1-O 3.19Å; L17-Y27 HydrophobicContact CB-CD1 4.01Å; L17-Y27 HydrophobicContact CB-CE1 3.97Å; L17-Y27 HydrophobicContact CD1-CD1 3.81Å; L17-Y27 HydrophobicContact CD1-CD2 4.16Å; L17-Y27 HydrophobicContact CD1-CE1 3.49Å; L17-Y27 VanDerWaalsContact CD1-CE1 3.49Å; L17-Y27 HydrophobicContact CD1-CE2 3.87Å; L17-Y27 HydrophobicContact CD1-CG 4.13Å; L17-Y27 HydrophobicContact CG-CE1 4.29Å
18	L	83	Confident	78	Confident	52 Å²	52	72.8 Å²	72.8	27%	0.272	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-34.9	175.5	-67.2	176.3	0	0	0	111.8	N16 V26 R28 A39 F101	N16-L18 PolarHBondContact O-N 2.72Å; L18-V26 HydrophobicContact CB-CG1 4.22Å; L18-V26 HydrophobicContact CD1-CG1 4.38Å; L18-V26 PolarHBondContact N-O 2.76Å; L18-R28 HydrophobicContact CD1-CB 3.86Å; L18-R28 HydrophobicContact CD1-CG 4.42Å; L18-R28 HydrophobicContact CD2-CB 3.87Å; L18-R28 HydrophobicContact CD2-CG 4.45Å; L18-R28 HydrophobicContact CG-CB 3.74Å; L18-A39 HydrophobicContact CD1-CB 3.84Å; L18-F101 HydrophobicContact CD1-CD1 4.32Å; L18-F101 HydrophobicContact CD1-CE1 4.02Å; L18-F101 HydrophobicContact CD2-CD1 3.99Å; L18-F101 HydrophobicContact CD2-CE1 3.38Å; L18-F101 HydrophobicContact CD2-CZ 4.06Å; L18-F101 HydrophobicContact CG-CE1 4.28Å
19	G	78.8	Confident	79	Confident	15 Å²	15	67.4 Å²	67.4	16%	0.155	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	141	-179.8	0	0	0	0	0	111.9	V26	G19-V26 PolarHBondContact N-O 2.74Å; G19-V26 VanDerWaalsContact N-O 3.13Å; G19-V26 PolarHBondContact O-N 3.04Å
20	K	79.6	Confident	79.7	Confident	181 Å²	181	69.5 Å²	69.5	79%	0.787	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.8	174.9	-161.5	174.1	176.9	178.9	0	108.9	L17	L17-K20 HydrophobicContact CD2-CB 4.16Å
21	G	71.9	Confident	80	Confident	42 Å²	42	62.5 Å²	62.5	43%	0.433	34%	0.34	S	S	.	.			trans	-81.4	173.5	165.1	0	0	0	0	0	111.3	F23 A24	G21-F23 PolarHBondContact O-N 2.75Å; G21-A24 CarbonylContact C-O 3.49Å; G21-A24 VanDerWaalsContact CA-O 3.29Å; G21-A24 WeakPolarHBondContact CA-O 3.34Å; G21-A24 PolarHBondContact N-O 3.25Å
22	S	67.6	Low	80.2	Confident	111 Å²	111	65.8 Å²	65.8	78%	0.776	36%	0.356	S	S	*	.	S	Bend	trans	-62.9	-27.7	-178	-59.8	0	0	0	0	114.2
23	F	71.3	Confident	80.2	Confident	74 Å²	74	70.9 Å²	70.9	33%	0.325	38%	0.38	S	S	.	.	S	Bend	trans	-136.3	6.2	-175.5	-47.3	-79.9	0	0	0	113.2	G21 A51 M53	G21-F23 PolarHBondContact O-N 2.75Å; F23-A51 HydrophobicContact CD1-CB 3.79Å; F23-A51 HydrophobicContact CE1-CB 3.29Å; F23-A51 HydrophobicContact CZ-CB 3.76Å; F23-M53 HydrophobicContact CD2-CE 3.18Å; F23-M53 HydrophobicContact CD2-CG 4.03Å; F23-M53 HydrophobicContact CD2-SD 4.25Å; F23-M53 HydrophobicContact CE2-CE 3.31Å; F23-M53 HydrophobicContact CE2-CG 3.87Å; F23-M53 HydrophobicContact CE2-SD 3.92Å; F23-M53 HydrophobicContact CG-CE 4.24Å; F23-M53 HydrophobicContact CG-CG 4.46Å; F23-M53 HydrophobicContact CZ-CE 4.45Å; F23-M53 HydrophobicContact CZ-CG 4.19Å
24	A	75	Confident	79.7	Confident	16 Å²	16	66.2 Å²	66.2	13%	0.132	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140.9	-175.8	0	0	0	0	0	110.7	G21 K41 M42 I43	G21-A24 CarbonylContact C-O 3.49Å; G21-A24 VanDerWaalsContact CA-O 3.29Å; G21-A24 WeakPolarHBondContact CA-O 3.34Å; G21-A24 PolarHBondContact N-O 3.25Å; A24-K41 HydrophobicContact CB-CG 4Å; A24-M42 CarbonylContact C-O 3.54Å; A24-M42 WeakPolarHBondContact CA-O 3.25Å; A24-I43 HydrophobicContact CB-CB 4.37Å; A24-I43 HydrophobicContact CB-CG1 3.78Å
25	G	81.1	Confident	79.4	Confident	9 Å²	9	65.6 Å²	65.6	9%	0.093	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.5	171	0	0	0	0	0	110.3	Y27 K41 M42	G25-Y27 WeakPolarHBondContact O-CD2 3.4Å; G25-K41 CarbonylContact O-C 3.58Å; G25-K41 WeakPolarHBondContact O-CA 3.09Å; G25-M42 PolarHBondContact N-O 2.72Å; G25-M42 PolarHBondContact O-N 3.35Å
26	V	81.3	Confident	79	Confident	36 Å²	36	65.6 Å²	65.6	22%	0.218	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.3	172.8	-173.4	0	0	0	0	108.2	L17 L18 G19 A39 I40 K41	L17-V26 CarbonylContact C-O 3.39Å; L17-V26 VanDerWaalsContact CD1-O 3.3Å; L17-V26 WeakPolarHBondContact CD1-O 3.19Å; L18-V26 HydrophobicContact CB-CG1 4.22Å; L18-V26 HydrophobicContact CD1-CG1 4.38Å; L18-V26 PolarHBondContact N-O 2.76Å; G19-V26 PolarHBondContact N-O 2.74Å; G19-V26 VanDerWaalsContact N-O 3.13Å; G19-V26 PolarHBondContact O-N 3.04Å; V26-A39 HydrophobicContact CG1-CB 3.82Å; V26-I40 WeakPolarHBondContact CA-O 3.22Å; V26-K41 HydrophobicContact CG2-CB 4.12Å; V26-K41 HydrophobicContact CG2-CD 4.32Å; V26-K41 HydrophobicContact CG2-CG 3.94Å
27	Y	82.5	Confident	78.5	Confident	75 Å²	75	63.4 Å²	63.4	29%	0.294	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.8	178.9	-61.8	-94.3	0	0	0	109.6	V14 N16 L17 G25 A39 I40 M42	V14-Y27 HydrophobicContact CG1-CD1 4.31Å; V14-Y27 HydrophobicContact CG1-CG 4.09Å; N16-Y27 CarbonylContact O-C 3.6Å; L17-Y27 HydrophobicContact CB-CD1 4.01Å; L17-Y27 HydrophobicContact CB-CE1 3.97Å; L17-Y27 HydrophobicContact CD1-CD1 3.81Å; L17-Y27 HydrophobicContact CD1-CD2 4.16Å; L17-Y27 HydrophobicContact CD1-CE1 3.49Å; L17-Y27 VanDerWaalsContact CD1-CE1 3.49Å; L17-Y27 HydrophobicContact CD1-CE2 3.87Å; L17-Y27 HydrophobicContact CD1-CG 4.13Å; L17-Y27 HydrophobicContact CG-CE1 4.29Å; G25-Y27 WeakPolarHBondContact O-CD2 3.4Å; Y27-A39 CarbonylContact O-C 3.56Å; Y27-A39 WeakPolarHBondContact O-CA 3.39Å; Y27-I40 PolarHBondContact N-O 3.24Å; Y27-I40 PolarHBondContact O-N 3.13Å; Y27-M42 HydrophobicContact CD2-CB 4.37Å; Y27-M42 HydrophobicContact CD2-CE 4.14Å; Y27-M42 HydrophobicContact CD2-CG 3.94Å; Y27-M42 HydrophobicContact CD2-SD 3.83Å; Y27-M42 HydrophobicContact CE2-CB 4.18Å; Y27-M42 HydrophobicContact CE2-CG 4.11Å; Y27-M42 HydrophobicContact CE2-SD 3.77Å
28	R	84.6	Confident	78.1	Confident	99 Å²	99	59.6 Å²	59.6	37%	0.374	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.7	165.6	-167.6	175.7	-179.4	177.5	0.7	106.9	G15 N16 L18 E37	G15-R28 CarbonylContact C-O 3.47Å; G15-R28 WeakPolarHBondContact CA-O 3.33Å; G15-R28 PolarHBondContact N-O 2.84Å; N16-R28 WeakPolarHBondContact O-CB 3.48Å; N16-R28 PolarHBondContact O-N 2.79Å; L18-R28 HydrophobicContact CD1-CB 3.86Å; L18-R28 HydrophobicContact CD1-CG 4.42Å; L18-R28 HydrophobicContact CD2-CB 3.87Å; L18-R28 HydrophobicContact CD2-CG 4.45Å; L18-R28 HydrophobicContact CG-CB 3.74Å; R28-E37 IonicContact CZ-OE1 2.99Å; R28-E37 IonicContact NE-OE1 2.65Å; R28-E37 PolarHBondContact NE-OE1 2.86Å; R28-E37 IonicContact NH2-OE1 2.61Å; R28-E37 PolarHBondContact NH2-OE1 2.88Å; R28-E37 IonicContact NH2-OE2 2.97Å; R28-E37 PolarHBondContact NH2-OE2 3.34Å
29	A	82.9	Confident	77.7	Confident	2 Å²	2	57.1 Å²	57.1	2%	0.017	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	164.2	169.8	0	0	0	0	0	109.7	F12 K13 V14 V38 I40	F12-A29 HydrophobicContact CB-CB 4.15Å; K13-A29 CarbonylContact O-C 3.56Å; K13-A29 WeakPolarHBondContact O-CA 3.33Å; V14-A29 HydrophobicContact CB-CB 4.47Å; V14-A29 HydrophobicContact CG2-CB 4.27Å; A29-V38 VanDerWaalsContact C-CG2 3.49Å; A29-V38 HydrophobicContact CB-CG2 3.98Å; A29-V38 PolarHBondContact N-O 3.42Å; A29-V38 WeakPolarHBondContact O-CG2 3.41Å; A29-V38 PolarHBondContact O-N 3.24Å; A29-I40 HydrophobicContact CB-CD1 3.36Å; A29-I40 HydrophobicContact CB-CG1 3.79Å
30	E	83.4	Confident	77.7	Confident	84 Å²	84	56.4 Å²	56.4	39%	0.393	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.4	177.2	-172.2	-178.2	92.6	0	0	108.4	F12 K13 I32 L36	F12-E30 CarbonylContact C-O 3.55Å; F12-E30 WeakPolarHBondContact CA-O 3.45Å; K13-E30 HydrophobicContact CB-CB 4.48Å; K13-E30 PolarHBondContact N-O 3.35Å; K13-E30 PolarHBondContact O-N 2.73Å; E30-I32 PolarHBondContact O-N 2.9Å; E30-L36 CarbonylContact C-O 3.58Å; E30-L36 WeakPolarHBondContact CA-O 3.41Å
31	S	78.3	Confident	77.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.3	174.3	174.9	0	0	0	0	109.6	I5 H33 T34 G35 L36	I5-S31 PolarHBondContact O-OG 2.87Å; S31-H33 VanDerWaalsContact C-N 3.26Å; S31-H33 PolarHBondContact O-N 2.71Å; S31-T34 WeakPolarHBondContact CB-OG1 3.06Å; S31-T34 PolarHBondContact OG-N 2.9Å; S31-T34 PolarHBondContact OG-OG1 2.99Å; S31-G35 WeakPolarHBondContact O-CA 3.3Å; S31-G35 PolarHBondContact O-N 2.79Å; S31-L36 PolarHBondContact N-O 3.15Å
32	I	82.1	Confident	77.7	Confident	108 Å²	108	50.3 Å²	50.3	55%	0.554	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.9	179.3	-58.7	168.4	0	0	0	110.4	E10 D11 K13 E30	E10-I32 WeakPolarHBondContact O-CD1 3.47Å; D11-I32 WeakPolarHBondContact O-CB 3.48Å; D11-I32 WeakPolarHBondContact O-CG1 3.46Å; D11-I32 PolarHBondContact O-N 3.31Å; K13-I32 HydrophobicContact CB-CG1 4.36Å; E30-I32 PolarHBondContact O-N 2.9Å
33	H	78.4	Confident	78	Confident	124 Å²	124	45.3 Å²	45.3	57%	0.574	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-37.3	-178	-63.5	-77	0	0	0	113.2	D11 S31	D11-H33 IonicContact OD1-CD2 3.66Å; D11-H33 IonicContact OD1-CE1 3.71Å; D11-H33 IonicContact OD1-NE2 2.73Å; D11-H33 PolarHBondContact OD1-NE2 3.27Å; S31-H33 VanDerWaalsContact C-N 3.26Å; S31-H33 PolarHBondContact O-N 2.71Å
34	T	74.6	Confident	78.2	Confident	48 Å²	48	44.7 Å²	44.7	29%	0.294	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-13.2	-171.6	60.6	0	0	0	0	113.5	S31 L36	S31-T34 WeakPolarHBondContact CB-OG1 3.06Å; S31-T34 PolarHBondContact OG-N 2.9Å; S31-T34 PolarHBondContact OG-OG1 2.99Å; T34-L36 HydrophobicContact CG2-CD1 4.38Å; T34-L36 PolarHBondContact O-N 3.2Å; T34-L36 WeakPolarHBondContact OG1-CB 3.29Å; T34-L36 WeakPolarHBondContact OG1-CD1 3.44Å; T34-L36 WeakPolarHBondContact OG1-CG 3.46Å; T34-L36 PolarHBondContact OG1-N 2.94Å
35	G	76.2	Confident	78	Confident	45 Å²	45	46.6 Å²	46.6	46%	0.464	24%	0.236	S	C	.	.			trans	67	11.4	-171.6	0	0	0	0	0	113.4	S31	S31-G35 WeakPolarHBondContact O-CA 3.3Å; S31-G35 PolarHBondContact O-N 2.79Å
36	L	75.3	Confident	77.7	Confident	47 Å²	47	51.9 Å²	51.9	25%	0.246	26%	0.256	C	S	.	.			trans	-80.5	134	-175.1	-68.3	171.2	0	0	0	111.3	I5 E30 S31 T34 Y94	I5-L36 HydrophobicContact CG1-CD1 4.4Å; E30-L36 CarbonylContact C-O 3.58Å; E30-L36 WeakPolarHBondContact CA-O 3.41Å; S31-L36 PolarHBondContact N-O 3.15Å; T34-L36 HydrophobicContact CG2-CD1 4.38Å; T34-L36 PolarHBondContact O-N 3.2Å; T34-L36 WeakPolarHBondContact OG1-CB 3.29Å; T34-L36 WeakPolarHBondContact OG1-CD1 3.44Å; T34-L36 WeakPolarHBondContact OG1-CG 3.46Å; T34-L36 PolarHBondContact OG1-N 2.94Å; L36-Y94 HydrophobicContact CB-CE2 4.14Å; L36-Y94 HydrophobicContact CD1-CD2 4.49Å; L36-Y94 HydrophobicContact CD1-CE2 3.73Å; L36-Y94 HydrophobicContact CD2-CE2 3.84Å; L36-Y94 HydrophobicContact CG-CE2 4.09Å
37	E	76	Confident	77.2	Confident	82 Å²	82	51.9 Å²	51.9	38%	0.383	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.3	175.5	-63.1	-146.9	68.7	0	0	111.8	R28	R28-E37 IonicContact CZ-OE1 2.99Å; R28-E37 IonicContact NE-OE1 2.65Å; R28-E37 PolarHBondContact NE-OE1 2.86Å; R28-E37 IonicContact NH2-OE1 2.61Å; R28-E37 PolarHBondContact NH2-OE1 2.88Å; R28-E37 IonicContact NH2-OE2 2.97Å; R28-E37 PolarHBondContact NH2-OE2 3.34Å
38	V	75.4	Confident	76.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.2	-171.1	-69.7	0	0	0	0	110	I5 F12 A29 M92 V93	I5-V38 HydrophobicContact CG2-CG1 4.48Å; F12-V38 HydrophobicContact CD1-CG2 4.16Å; A29-V38 VanDerWaalsContact C-CG2 3.49Å; A29-V38 HydrophobicContact CB-CG2 3.98Å; A29-V38 PolarHBondContact N-O 3.42Å; A29-V38 WeakPolarHBondContact O-CG2 3.41Å; A29-V38 PolarHBondContact O-N 3.24Å; V38-M92 HydrophobicContact CB-CE 3.55Å; V38-M92 HydrophobicContact CB-CG 4Å; V38-M92 HydrophobicContact CB-SD 4.47Å; V38-M92 HydrophobicContact CG1-CE 3.49Å; V38-M92 VanDerWaalsContact CG1-CE 3.49Å; V38-M92 HydrophobicContact CG1-CG 4.14Å; V38-M92 HydrophobicContact CG1-SD 4.15Å; V38-M92 HydrophobicContact CG2-CE 3.43Å; V38-M92 VanDerWaalsContact CG2-CE 3.43Å; V38-V93 CarbonylContact C-O 3.59Å; V38-V93 WeakPolarHBondContact CA-O 3.41Å
39	A	76.3	Confident	76.4	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.5	167.2	0	0	0	0	0	109.9	L18 V26 Y27 L91 M92 V93 Y95	L18-A39 HydrophobicContact CD1-CB 3.84Å; V26-A39 HydrophobicContact CG1-CB 3.82Å; Y27-A39 CarbonylContact O-C 3.56Å; Y27-A39 WeakPolarHBondContact O-CA 3.39Å; A39-L91 VanDerWaalsContact O-O 3.1Å; A39-M92 CarbonylContact O-C 3.48Å; A39-M92 VanDerWaalsContact O-CA 3.25Å; A39-M92 WeakPolarHBondContact O-CA 3.11Å; A39-V93 HydrophobicContact CB-CB 4.32Å; A39-V93 PolarHBondContact N-O 2.76Å; A39-V93 PolarHBondContact O-N 2.75Å; A39-Y95 HydrophobicContact CB-CE2 3.52Å; A39-Y95 WeakPolarHBondContact CB-OH 3.09Å
40	I	77.5	Confident	76.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	108	177.4	-64.1	-177.4	0	0	0	108.2	I9 F12 V14 V26 Y27 A29 M42 I90 L91	I9-I40 HydrophobicContact CD1-CD1 3.75Å; I9-I40 HydrophobicContact CD1-CG2 3.96Å; F12-I40 HydrophobicContact CB-CD1 3.79Å; F12-I40 HydrophobicContact CD2-CD1 4.31Å; F12-I40 HydrophobicContact CG-CD1 4.02Å; V14-I40 HydrophobicContact CG2-CD1 4.25Å; V26-I40 WeakPolarHBondContact CA-O 3.22Å; Y27-I40 PolarHBondContact N-O 3.24Å; Y27-I40 PolarHBondContact O-N 3.13Å; A29-I40 HydrophobicContact CB-CD1 3.36Å; A29-I40 HydrophobicContact CB-CG1 3.79Å; I40-M42 HydrophobicContact CG2-CE 4.05Å; I40-M42 HydrophobicContact CG2-CG 3.94Å; I40-M42 PolarHBondContact O-N 3.05Å; I40-I90 HydrophobicContact CB-CG2 4.47Å; I40-I90 HydrophobicContact CG1-CG2 4.34Å; I40-I90 HydrophobicContact CG2-CB 4.32Å; I40-I90 HydrophobicContact CG2-CG1 4.24Å; I40-I90 HydrophobicContact CG2-CG2 3.62Å; I40-L91 WeakPolarHBondContact CA-O 3.29Å
41	K	75.8	Confident	75.6	Confident	50 Å²	50	58 Å²	58	22%	0.217	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.2	170.8	-172.8	173.5	-177.3	-177.9	0	108.5	A24 G25 V26 I43 E60 L91	A24-K41 HydrophobicContact CB-CG 4Å; G25-K41 CarbonylContact O-C 3.58Å; G25-K41 WeakPolarHBondContact O-CA 3.09Å; V26-K41 HydrophobicContact CG2-CB 4.12Å; V26-K41 HydrophobicContact CG2-CD 4.32Å; V26-K41 HydrophobicContact CG2-CG 3.94Å; K41-I43 HydrophobicContact CG-CG1 4.3Å; K41-E60 IonicContact NZ-OE1 2.88Å; K41-E60 PolarHBondContact NZ-OE1 2.75Å; K41-E60 IonicContact NZ-OE2 3.58Å; K41-L91 HydrophobicContact CB-CB 4.15Å; K41-L91 HydrophobicContact CB-CD1 4.44Å; K41-L91 HydrophobicContact CD-CD1 4.48Å; K41-L91 PolarHBondContact N-O 2.89Å; K41-L91 PolarHBondContact O-N 2.81Å; K41-L91 VanDerWaalsContact O-N 3.16Å
42	M	76.4	Confident	75.4	Confident	45 Å²	45	60.6 Å²	60.6	22%	0.222	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.5	174.6	-62.9	-173.9	-174.3	0	0	110.1	I9 V14 A24 G25 Y27 I40 I88 F89	I9-M42 HydrophobicContact CD1-CE 3.95Å; V14-M42 HydrophobicContact CG1-CE 3.99Å; V14-M42 HydrophobicContact CG2-CE 4.11Å; A24-M42 CarbonylContact C-O 3.54Å; A24-M42 WeakPolarHBondContact CA-O 3.25Å; G25-M42 PolarHBondContact N-O 2.72Å; G25-M42 PolarHBondContact O-N 3.35Å; Y27-M42 HydrophobicContact CD2-CB 4.37Å; Y27-M42 HydrophobicContact CD2-CE 4.14Å; Y27-M42 HydrophobicContact CD2-CG 3.94Å; Y27-M42 HydrophobicContact CD2-SD 3.83Å; Y27-M42 HydrophobicContact CE2-CB 4.18Å; Y27-M42 HydrophobicContact CE2-CG 4.11Å; Y27-M42 HydrophobicContact CE2-SD 3.77Å; I40-M42 HydrophobicContact CG2-CE 4.05Å; I40-M42 HydrophobicContact CG2-CG 3.94Å; I40-M42 PolarHBondContact O-N 3.05Å; M42-I88 HydrophobicContact CB-CG2 3.83Å; M42-I88 HydrophobicContact CG-CG2 3.87Å; M42-I88 HydrophobicContact SD-CG2 4.48Å; M42-F89 WeakPolarHBondContact CA-O 3.36Å
43	I	74.1	Confident	75	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.7	178.1	-47.8	-176.5	0	0	0	109.8	A24 K41 V57 C87 F89 L91	A24-I43 HydrophobicContact CB-CB 4.37Å; A24-I43 HydrophobicContact CB-CG1 3.78Å; K41-I43 HydrophobicContact CG-CG1 4.3Å; I43-V57 HydrophobicContact CD1-CG1 3.82Å; I43-C87 VanDerWaalsContact O-O 3.08Å; I43-F89 HydrophobicContact CB-CB 4.17Å; I43-F89 HydrophobicContact CB-CD2 4.44Å; I43-F89 HydrophobicContact CD1-CB 4.38Å; I43-F89 HydrophobicContact CG1-CB 4.31Å; I43-F89 PolarHBondContact N-O 2.92Å; I43-F89 PolarHBondContact O-N 3.28Å; I43-L91 HydrophobicContact CD1-CD1 3.77Å; I43-L91 HydrophobicContact CG1-CD1 4.41Å
44	D	74.6	Confident	74.7	Confident	61 Å²	61	52.8 Å²	52.8	33%	0.326	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.1	175	-174.1	-65.6	0	0	0	110.3	K46 A47 M48 C86	D44-K46 VanDerWaalsContact C-N 3.3Å; D44-K46 PolarHBondContact O-N 2.88Å; D44-K46 WeakPolarHBondContact OD1-CA 3.34Å; D44-K46 VanDerWaalsContact OD1-CB 3.3Å; D44-K46 WeakPolarHBondContact OD1-CB 2.92Å; D44-K46 PolarHBondContact OD1-N 3.46Å; D44-A47 HydrophobicContact CB-CB 3.94Å; D44-A47 PolarHBondContact O-N 3.38Å; D44-A47 PolarHBondContact OD1-N 3.35Å; D44-M48 WeakPolarHBondContact O-CB 3.36Å; D44-M48 PolarHBondContact O-N 3.02Å; D44-C86 PolarHBondContact OD2-SG 2.8Å
45	K	71.9	Confident	74.9	Confident	57 Å²	57	57.8 Å²	57.8	25%	0.248	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-32	-177.7	-156.3	179.6	-171.8	-171.6	0	112.7	M48 Y49 C87 F89	K45-M48 HydrophobicContact CG-CE 3.66Å; K45-M48 PolarHBondContact O-N 2.73Å; K45-Y49 HydrophobicContact CD-CE2 3.79Å; K45-Y49 HydrophobicContact CG-CD2 3.8Å; K45-Y49 HydrophobicContact CG-CE2 3.51Å; K45-Y49 WeakPolarHBondContact O-CD2 3.49Å; K45-Y49 PolarHBondContact O-N 3.45Å; K45-C87 HydrophobicContact CB-CB 3.76Å; K45-C87 WeakPolarHBondContact CB-O 3.01Å; K45-C87 HydrophobicContact CD-CB 3.53Å; K45-C87 HydrophobicContact CG-CB 4.24Å; K45-C87 PolarHBondContact N-O 2.91Å; K45-F89 HydrophobicContact CB-CE2 4.33Å; K45-F89 HydrophobicContact CD-CE2 3.96Å; K45-F89 HydrophobicContact CD-CZ 4.36Å; K45-F89 HydrophobicContact CG-CE2 3.98Å
46	K	73.1	Confident	74.7	Confident	120 Å²	120	64.1 Å²	64.1	52%	0.522	32%	0.316	S	S	.	.	H	α-helix	trans	-69.1	-45.1	177.8	-69.2	-179.3	-178.3	169.2	0	110.5	D44 M48 Y49 K50 Q84 G85	D44-K46 VanDerWaalsContact C-N 3.3Å; D44-K46 PolarHBondContact O-N 2.88Å; D44-K46 WeakPolarHBondContact OD1-CA 3.34Å; D44-K46 VanDerWaalsContact OD1-CB 3.3Å; D44-K46 WeakPolarHBondContact OD1-CB 2.92Å; D44-K46 PolarHBondContact OD1-N 3.46Å; K46-M48 VanDerWaalsContact C-N 3.31Å; K46-M48 PolarHBondContact O-N 3.29Å; K46-Y49 PolarHBondContact O-N 3.03Å; K46-K50 VanDerWaalsContact O-CB 3.29Å; K46-K50 WeakPolarHBondContact O-CB 3.21Å; K46-K50 PolarHBondContact O-N 3.36Å; K46-Q84 PolarHBondContact NZ-O 3.03Å; K46-G85 VanDerWaalsContact CE-O 3.25Å; K46-G85 WeakPolarHBondContact CE-O 3.37Å
47	A	72.6	Confident	74.5	Confident	36 Å²	36	62.6 Å²	62.6	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-42.2	174.5	0	0	0	0	0	111	D44 K50 A51	D44-A47 HydrophobicContact CB-CB 3.94Å; D44-A47 PolarHBondContact O-N 3.38Å; D44-A47 PolarHBondContact OD1-N 3.35Å; A47-K50 PolarHBondContact O-N 3.12Å; A47-A51 VanDerWaalsContact O-CB 3.24Å; A47-A51 WeakPolarHBondContact O-CB 3.1Å; A47-A51 PolarHBondContact O-N 3.27Å
48	M	74.4	Confident	74.3	Confident	7 Å²	7	64.3 Å²	64.3	3%	0.034	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-47.5	176.3	-178.1	-172.2	75.2	0	0	112.4	D44 K45 K46 A51 G52 M53 V54 V57	D44-M48 WeakPolarHBondContact O-CB 3.36Å; D44-M48 PolarHBondContact O-N 3.02Å; K45-M48 HydrophobicContact CG-CE 3.66Å; K45-M48 PolarHBondContact O-N 2.73Å; K46-M48 VanDerWaalsContact C-N 3.31Å; K46-M48 PolarHBondContact O-N 3.29Å; M48-A51 PolarHBondContact O-N 3.15Å; M48-G52 PolarHBondContact O-N 2.8Å; M48-M53 HydrophobicContact CG-CB 4.19Å; M48-M53 PolarHBondContact O-N 3.26Å; M48-V54 HydrophobicContact CE-CB 4.27Å; M48-V54 HydrophobicContact CE-CG1 4.12Å; M48-V54 HydrophobicContact CE-CG2 3.91Å; M48-V54 HydrophobicContact CG-CG2 4.12Å; M48-V57 HydrophobicContact CG-CG2 4.01Å; M48-V57 HydrophobicContact SD-CB 3.72Å; M48-V57 HydrophobicContact SD-CG1 3.91Å; M48-V57 HydrophobicContact SD-CG2 3.72Å
49	Y	74.3	Confident	74.3	Confident	138 Å²	138	68.6 Å²	68.6	54%	0.541	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-45	176.5	-84.1	-68	0	0	0	111.7	K45 K46 A51 G52 V54	K45-Y49 HydrophobicContact CD-CE2 3.79Å; K45-Y49 HydrophobicContact CG-CD2 3.8Å; K45-Y49 HydrophobicContact CG-CE2 3.51Å; K45-Y49 WeakPolarHBondContact O-CD2 3.49Å; K45-Y49 PolarHBondContact O-N 3.45Å; K46-Y49 PolarHBondContact O-N 3.03Å; Y49-A51 VanDerWaalsContact C-N 3.27Å; Y49-A51 PolarHBondContact O-N 3.24Å; Y49-G52 PolarHBondContact O-N 3.32Å; Y49-G52 VanDerWaalsContact O-N 3.12Å; Y49-V54 HydrophobicContact CD1-CG2 3.48Å; Y49-V54 VanDerWaalsContact CD1-CG2 3.48Å; Y49-V54 HydrophobicContact CE1-CG1 4.49Å; Y49-V54 HydrophobicContact CE1-CG2 3.73Å; Y49-V54 HydrophobicContact CG-CG2 4.08Å
50	K	77.7	Confident	73.9	Confident	197 Å²	197	73 Å²	73	86%	0.857	36%	0.36	S	S	*	.	H	α-helix	trans	-63.3	-34	-179.7	-169.3	175.5	-178.1	-178.7	0	112.5	K46 A47 G52	K46-K50 VanDerWaalsContact O-CB 3.29Å; K46-K50 WeakPolarHBondContact O-CB 3.21Å; K46-K50 PolarHBondContact O-N 3.36Å; A47-K50 PolarHBondContact O-N 3.12Å; K50-G52 VanDerWaalsContact C-N 3.35Å
51	A	72.1	Confident	73.4	Confident	45 Å²	45	74.8 Å²	74.8	37%	0.372	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.6	177.9	0	0	0	0	0	114	F23 A47 M48 Y49 M53	F23-A51 HydrophobicContact CD1-CB 3.79Å; F23-A51 HydrophobicContact CE1-CB 3.29Å; F23-A51 HydrophobicContact CZ-CB 3.76Å; A47-A51 VanDerWaalsContact O-CB 3.24Å; A47-A51 WeakPolarHBondContact O-CB 3.1Å; A47-A51 PolarHBondContact O-N 3.27Å; M48-A51 PolarHBondContact O-N 3.15Å; Y49-A51 VanDerWaalsContact C-N 3.27Å; Y49-A51 PolarHBondContact O-N 3.24Å; A51-M53 HydrophobicContact CB-CB 4.31Å; A51-M53 HydrophobicContact CB-CG 3.68Å; A51-M53 PolarHBondContact O-N 2.92Å
52	G	75.3	Confident	73.1	Confident	56 Å²	56	78.5 Å²	78.5	58%	0.577	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	16.4	-174.2	0	0	0	0	0	113.9	M48 Y49 K50 V54	M48-G52 PolarHBondContact O-N 2.8Å; Y49-G52 PolarHBondContact O-N 3.32Å; Y49-G52 VanDerWaalsContact O-N 3.12Å; K50-G52 VanDerWaalsContact C-N 3.35Å; G52-V54 PolarHBondContact O-N 2.89Å
53	M	72.4	Confident	72.7	Confident	41 Å²	41	80.4 Å²	80.4	20%	0.202	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	0.6	-172.7	-73	-85.6	-76.9	0	0	113.2	F23 M48 A51 Q55 R56 V57	F23-M53 HydrophobicContact CD2-CE 3.18Å; F23-M53 HydrophobicContact CD2-CG 4.03Å; F23-M53 HydrophobicContact CD2-SD 4.25Å; F23-M53 HydrophobicContact CE2-CE 3.31Å; F23-M53 HydrophobicContact CE2-CG 3.87Å; F23-M53 HydrophobicContact CE2-SD 3.92Å; F23-M53 HydrophobicContact CG-CE 4.24Å; F23-M53 HydrophobicContact CG-CG 4.46Å; F23-M53 HydrophobicContact CZ-CE 4.45Å; F23-M53 HydrophobicContact CZ-CG 4.19Å; M48-M53 HydrophobicContact CG-CB 4.19Å; M48-M53 PolarHBondContact O-N 3.26Å; A51-M53 HydrophobicContact CB-CB 4.31Å; A51-M53 HydrophobicContact CB-CG 3.68Å; A51-M53 PolarHBondContact O-N 2.92Å; M53-Q55 VanDerWaalsContact C-N 3.26Å; M53-Q55 PolarHBondContact O-N 2.94Å; M53-R56 PolarHBondContact O-N 3.47Å; M53-R56 HydrophobicContact SD-CB 4.41Å; M53-R56 HydrophobicContact SD-CG 4.28Å; M53-V57 PolarHBondContact O-N 3.16Å
54	V	73.5	Confident	72	Confident	27 Å²	27	82.6 Å²	82.6	16%	0.164	41%	0.407	C	S	.	.	H	α-helix	trans	-51.6	-45.5	-178.8	-175.4	0	0	0	0	111.5	M48 Y49 G52 Q58	M48-V54 HydrophobicContact CE-CB 4.27Å; M48-V54 HydrophobicContact CE-CG1 4.12Å; M48-V54 HydrophobicContact CE-CG2 3.91Å; M48-V54 HydrophobicContact CG-CG2 4.12Å; Y49-V54 HydrophobicContact CD1-CG2 3.48Å; Y49-V54 VanDerWaalsContact CD1-CG2 3.48Å; Y49-V54 HydrophobicContact CE1-CG1 4.49Å; Y49-V54 HydrophobicContact CE1-CG2 3.73Å; Y49-V54 HydrophobicContact CG-CG2 4.08Å; G52-V54 PolarHBondContact O-N 2.89Å; V54-Q58 WeakPolarHBondContact O-CB 3.42Å; V54-Q58 VanDerWaalsContact O-CG 3.31Å; V54-Q58 WeakPolarHBondContact O-CG 3.38Å; V54-Q58 PolarHBondContact O-N 2.86Å
55	Q	76.9	Confident	71.3	Confident	152 Å²	152	83.1 Å²	83.1	71%	0.71	41%	0.414	S	S	*	.	H	α-helix	trans	-67.4	-38.9	179.9	-68	-123.7	-73.4	0	0	112.2	M53 Q58 N59	M53-Q55 VanDerWaalsContact C-N 3.26Å; M53-Q55 PolarHBondContact O-N 2.94Å; Q55-Q58 PolarHBondContact O-N 3.32Å; Q55-N59 WeakPolarHBondContact O-CB 3.18Å; Q55-N59 PolarHBondContact O-N 2.84Å
56	R	73.6	Confident	70.7	Confident	179 Å²	179	87.1 Å²	87.1	68%	0.675	43%	0.434	S	S	*	.	H	α-helix	trans	-66.3	-45.2	178.2	-62.3	-163.5	105.8	176.9	4.5	111.4	M53 N59 E60	M53-R56 PolarHBondContact O-N 3.47Å; M53-R56 HydrophobicContact SD-CB 4.41Å; M53-R56 HydrophobicContact SD-CG 4.28Å; R56-N59 PolarHBondContact O-N 3.2Å; R56-N59 VanDerWaalsContact O-N 3.15Å; R56-E60 PolarHBondContact O-N 3.42Å
57	V	71.1	Confident	69.7	Low	14 Å²	14	85.3 Å²	85.3	9%	0.085	43%	0.43	C	S	.	.	H	α-helix	trans	-63.6	-43.2	177	175.7	0	0	0	0	110.8	I43 M48 M53 N59 E60 V61	I43-V57 HydrophobicContact CD1-CG1 3.82Å; M48-V57 HydrophobicContact CG-CG2 4.01Å; M48-V57 HydrophobicContact SD-CB 3.72Å; M48-V57 HydrophobicContact SD-CG1 3.91Å; M48-V57 HydrophobicContact SD-CG2 3.72Å; M53-V57 PolarHBondContact O-N 3.16Å; V57-N59 VanDerWaalsContact C-N 3.27Å; V57-N59 PolarHBondContact O-N 2.96Å; V57-E60 PolarHBondContact O-N 2.83Å; V57-V61 HydrophobicContact CG1-CG2 4.29Å; V57-V61 WeakPolarHBondContact O-CB 3.24Å; V57-V61 VanDerWaalsContact O-CG2 3.23Å; V57-V61 WeakPolarHBondContact O-CG2 3.23Å; V57-V61 PolarHBondContact O-N 3.15Å
58	Q	71.9	Confident	68.6	Low	119 Å²	119	92.8 Å²	92.8	56%	0.556	46%	0.455	S	S	*	.	H	α-helix	trans	-59.9	-39.3	173.5	-78	-176.8	11.6	0	0	112.1	V54 Q55 K62	V54-Q58 WeakPolarHBondContact O-CB 3.42Å; V54-Q58 VanDerWaalsContact O-CG 3.31Å; V54-Q58 WeakPolarHBondContact O-CG 3.38Å; V54-Q58 PolarHBondContact O-N 2.86Å; Q55-Q58 PolarHBondContact O-N 3.32Å; Q58-K62 WeakPolarHBondContact O-CB 3.35Å; Q58-K62 PolarHBondContact O-N 3.38Å
59	N	73.9	Confident	67.3	Low	91 Å²	91	97.4 Å²	97.4	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-70.2	-41.3	178.7	-146.5	58.8	0	0	0	111.6	Q55 R56 V57 K62 I63	Q55-N59 WeakPolarHBondContact O-CB 3.18Å; Q55-N59 PolarHBondContact O-N 2.84Å; R56-N59 PolarHBondContact O-N 3.2Å; R56-N59 VanDerWaalsContact O-N 3.15Å; V57-N59 VanDerWaalsContact C-N 3.27Å; V57-N59 PolarHBondContact O-N 2.96Å; N59-K62 PolarHBondContact O-N 3.25Å; N59-I63 WeakPolarHBondContact O-CB 3.47Å; N59-I63 WeakPolarHBondContact O-CD1 3.17Å; N59-I63 WeakPolarHBondContact O-CG1 3.34Å; N59-I63 PolarHBondContact O-N 2.85Å
60	E	69.2	Low	65.8	Low	93 Å²	93	96.5 Å²	96.5	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-57	-52.4	171	-102.4	-171.6	119.5	0	0	110.7	K41 R56 V57 K62 I63 H64	K41-E60 IonicContact NZ-OE1 2.88Å; K41-E60 PolarHBondContact NZ-OE1 2.75Å; K41-E60 IonicContact NZ-OE2 3.58Å; R56-E60 PolarHBondContact O-N 3.42Å; V57-E60 PolarHBondContact O-N 2.83Å; E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 PolarHBondContact O-N 3.32Å; E60-I63 PolarHBondContact O-N 2.92Å; E60-H64 VanDerWaalsContact O-CB 3.24Å; E60-H64 WeakPolarHBondContact O-CB 3.36Å; E60-H64 PolarHBondContact O-N 2.81Å
61	V	67.4	Low	64	Low	37 Å²	37	89.7 Å²	89.7	22%	0.224	47%	0.465	C	S	.	.	H	α-helix	trans	-59.9	-41.2	178.9	171.6	0	0	0	0	110.7	V57 H64 C65 L75 L91	V57-V61 HydrophobicContact CG1-CG2 4.29Å; V57-V61 WeakPolarHBondContact O-CB 3.24Å; V57-V61 VanDerWaalsContact O-CG2 3.23Å; V57-V61 WeakPolarHBondContact O-CG2 3.23Å; V57-V61 PolarHBondContact O-N 3.15Å; V61-H64 PolarHBondContact O-N 3.15Å; V61-C65 WeakPolarHBondContact O-CB 3.39Å; V61-C65 PolarHBondContact O-N 2.85Å; V61-L75 HydrophobicContact CG1-CD1 4.11Å; V61-L75 HydrophobicContact CG1-CD2 4.04Å; V61-L91 HydrophobicContact CG2-CD2 4.39Å
62	K	68.3	Low	62.8	Low	129 Å²	129	90.5 Å²	90.5	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-66.2	-44.8	178.6	-170.1	176.7	-176.4	-177.2	0	111.8	Q58 N59 E60 C65 Q66	Q58-K62 WeakPolarHBondContact O-CB 3.35Å; Q58-K62 PolarHBondContact O-N 3.38Å; N59-K62 PolarHBondContact O-N 3.25Å; E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 PolarHBondContact O-N 3.32Å; K62-C65 PolarHBondContact O-N 2.93Å; K62-Q66 WeakPolarHBondContact O-CB 3.19Å; K62-Q66 VanDerWaalsContact O-CG 3.22Å; K62-Q66 WeakPolarHBondContact O-CG 3.44Å; K62-Q66 PolarHBondContact O-N 3.35Å
63	I	69.1	Low	61.6	Low	85 Å²	85	88.8 Å²	88.8	44%	0.436	44%	0.44	S	S	.	.	H	α-helix	trans	-63.5	-44.6	176	-69.1	164	0	0	0	110	N59 E60 Q66 L67	N59-I63 WeakPolarHBondContact O-CB 3.47Å; N59-I63 WeakPolarHBondContact O-CD1 3.17Å; N59-I63 WeakPolarHBondContact O-CG1 3.34Å; N59-I63 PolarHBondContact O-N 2.85Å; E60-I63 PolarHBondContact O-N 2.92Å; I63-Q66 PolarHBondContact O-N 3.49Å; I63-L67 HydrophobicContact CG2-CD1 3.77Å; I63-L67 WeakPolarHBondContact O-CB 3.1Å; I63-L67 PolarHBondContact O-N 3.5Å
64	H	59.5	Low	60.3	Low	51 Å²	51	94 Å²	94	24%	0.236	46%	0.464	C	S	.	.	H	α-helix	trans	-66.3	-39.1	179.9	-144.8	103.8	0	0	0	111.9	E60 V61 L67 I72 L75	E60-H64 VanDerWaalsContact O-CB 3.24Å; E60-H64 WeakPolarHBondContact O-CB 3.36Å; E60-H64 PolarHBondContact O-N 2.81Å; V61-H64 PolarHBondContact O-N 3.15Å; H64-L67 CarbonylContact O-C 3.53Å; H64-L67 PolarHBondContact O-N 3.45Å; H64-I72 WeakPolarHBondContact NE2-CG2 3.24Å; H64-L75 HydrophobicContact CB-CD1 3.98Å
65	C	58.1	Low	59.2	Low	71 Å²	71	94.4 Å²	94.4	48%	0.48	47%	0.465	S	S	.	.	H	α-helix	trans	-70.5	-31	175.5	-170.4	0	0	0	0	112.4	V61 K62 L75	V61-C65 WeakPolarHBondContact O-CB 3.39Å; V61-C65 PolarHBondContact O-N 2.85Å; K62-C65 PolarHBondContact O-N 2.93Å; C65-L75 HydrophobicContact CB-CD1 4.08Å
66	Q	59.7	Low	57.9	Low	141 Å²	141	90.6 Å²	90.6	66%	0.659	45%	0.449	S	S	*	.	H	α-helix	trans	-75.2	-28.8	172.5	-74.9	179.3	0.7	0	0	112.5	K62 I63 K68	K62-Q66 WeakPolarHBondContact O-CB 3.19Å; K62-Q66 VanDerWaalsContact O-CG 3.22Å; K62-Q66 WeakPolarHBondContact O-CG 3.44Å; K62-Q66 PolarHBondContact O-N 3.35Å; I63-Q66 PolarHBondContact O-N 3.49Å; Q66-K68 PolarHBondContact O-N 3.4Å
67	L	53.5	Low	56.7	Low	83 Å²	83	85.9 Å²	85.9	44%	0.435	44%	0.44	S	S	.	.			trans	-75.5	63.4	169.3	-80.2	154.2	0	0	0	110.7	I63 H64 H69 I72	I63-L67 HydrophobicContact CG2-CD1 3.77Å; I63-L67 WeakPolarHBondContact O-CB 3.1Å; I63-L67 PolarHBondContact O-N 3.5Å; H64-L67 CarbonylContact O-C 3.53Å; H64-L67 PolarHBondContact O-N 3.45Å; L67-H69 PolarHBondContact O-N 2.9Å; L67-I72 HydrophobicContact CB-CD1 4.42Å; L67-I72 HydrophobicContact CB-CG2 3.93Å; L67-I72 HydrophobicContact CD2-CD1 4.08Å
68	K	49.2	Very low	55.5	Low	193 Å²	193	86.5 Å²	86.5	84%	0.839	45%	0.445	S	S	*	.			trans	-73.3	83.2	165.3	-84.4	-171.7	173.9	-174.1	0	109.4	Q66	Q66-K68 PolarHBondContact O-N 3.4Å
69	H	45.7	Very low	54.2	Low	104 Å²	104	84.2 Å²	84.2	48%	0.481	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-112.6	144.2	166.4	-165	-89	0	0	0	108	L67 S71 I72	L67-H69 PolarHBondContact O-N 2.9Å; H69-S71 PolarHBondContact CE1-OG 2.87Å; H69-S71 WeakPolarHBondContact ND1-CB 3.22Å; H69-S71 PolarHBondContact ND1-N 3.35Å; H69-S71 PolarHBondContact ND1-OG 3.3Å; H69-S71 VanDerWaalsContact ND1-OG 3.1Å; H69-S71 PolarHBondContact O-N 2.82Å; H69-I72 HydrophobicContact CB-CB 4.17Å; H69-I72 HydrophobicContact CB-CD1 4.1Å; H69-I72 HydrophobicContact CB-CG1 4.14Å; H69-I72 CarbonylContact O-C 3.56Å; H69-I72 PolarHBondContact O-N 3.36Å
70	P	44.1	Very low	52.8	Low	119 Å²	119	82.4 Å²	82.4	77%	0.773	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	2.9	173.5	23	-34.9	0	0	0	115.3
71	S	40.1	Very low	51.5	Low	53 Å²	53	88.4 Å²	88.4	37%	0.371	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-1.1	177.8	-39.2	0	0	0	0	113.2	H69	H69-S71 PolarHBondContact CE1-OG 2.87Å; H69-S71 WeakPolarHBondContact ND1-CB 3.22Å; H69-S71 PolarHBondContact ND1-N 3.35Å; H69-S71 PolarHBondContact ND1-OG 3.3Å; H69-S71 VanDerWaalsContact ND1-OG 3.1Å; H69-S71 PolarHBondContact O-N 2.82Å
72	I	46.1	Very low	50.5	Low	62 Å²	62	89.5 Å²	89.5	32%	0.318	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-134.9	130.8	-176.6	-55.4	171.4	0	0	0	107.5	H64 L67 H69	H64-I72 WeakPolarHBondContact NE2-CG2 3.24Å; L67-I72 HydrophobicContact CB-CD1 4.42Å; L67-I72 HydrophobicContact CB-CG2 3.93Å; L67-I72 HydrophobicContact CD2-CD1 4.08Å; H69-I72 HydrophobicContact CB-CB 4.17Å; H69-I72 HydrophobicContact CB-CD1 4.1Å; H69-I72 HydrophobicContact CB-CG1 4.14Å; H69-I72 CarbonylContact O-C 3.56Å; H69-I72 PolarHBondContact O-N 3.36Å
73	L	49.9	Very low	49.5	Very low	20 Å²	20	89.1 Å²	89.1	11%	0.105	48%	0.475	C	S	.	.			trans	-91.9	159.1	-131.4	-106.4	81	0	0	0	119.8	L75 M92 V93 Y94	L73-L75 PolarHBondContact O-N 3.04Å; L73-L75 VanDerWaalsContact O-N 3.15Å; L73-M92 WeakPolarHBondContact CB-O 3.47Å; L73-M92 HydrophobicContact CD2-CB 3.68Å; L73-M92 HydrophobicContact CD2-CG 3.72Å; L73-M92 WeakPolarHBondContact CD2-O 3.31Å; L73-M92 HydrophobicContact CD2-SD 4.43Å; L73-M92 WeakPolarHBondContact CG-O 3.41Å; L73-V93 VanDerWaalsContact CD1-CA 3.47Å; L73-V93 HydrophobicContact CD1-CB 4.17Å; L73-V93 HydrophobicContact CD1-CG1 3.9Å; L73-V93 VanDerWaalsContact CD2-C 3.47Å; L73-Y94 VanDerWaalsContact CG-N 3.29Å
74	E	45.3	Very low	48.5	Very low	151 Å²	151	92.5 Å²	92.5	71%	0.706	49%	0.489	S	S	*	.			trans	-60.4	109.9	160.1	-115.3	168.9	78.1	0	0	109.8	D76	E74-D76 PolarHBondContact O-N 3.33Å
75	L	51	Low	48	Very low	36 Å²	36	92.2 Å²	92.2	19%	0.188	50%	0.5	C	S	.	.			trans	-81.1	89.6	177.6	-118.2	149.1	0	0	0	108.1	V61 H64 C65 L73 T77 L91	V61-L75 HydrophobicContact CG1-CD1 4.11Å; V61-L75 HydrophobicContact CG1-CD2 4.04Å; H64-L75 HydrophobicContact CB-CD1 3.98Å; C65-L75 HydrophobicContact CB-CD1 4.08Å; L73-L75 PolarHBondContact O-N 3.04Å; L73-L75 VanDerWaalsContact O-N 3.15Å; L75-T77 HydrophobicContact CD2-CG2 3.8Å; L75-T77 PolarHBondContact O-N 3.18Å; L75-T77 VanDerWaalsContact O-N 3.15Å; L75-L91 HydrophobicContact CD1-CD2 4.37Å; L75-L91 HydrophobicContact CD2-CD2 3.91Å; L75-L91 HydrophobicContact CD2-CG 3.91Å; L75-L91 HydrophobicContact CG-CD2 4.22Å
76	D	50.4	Low	47.6	Very low	71 Å²	71	90.3 Å²	90.3	38%	0.38	49%	0.487	S	S	.	.			trans	-82.7	89.2	169.7	-132.6	-64.3	0	0	0	109.4	E74 S78	E74-D76 PolarHBondContact O-N 3.33Å; D76-S78 PolarHBondContact O-N 2.97Å
77	T	47.4	Very low	47.4	Very low	80 Å²	80	84.9 Å²	84.9	49%	0.491	47%	0.465	S	S	.	.			trans	-73.1	53.6	175.4	38.3	0	0	0	0	111.5	L75 C79	L75-T77 HydrophobicContact CD2-CG2 3.8Å; L75-T77 PolarHBondContact O-N 3.18Å; L75-T77 VanDerWaalsContact O-N 3.15Å; T77-C79 PolarHBondContact O-N 3.23Å
78	S	45.5	Very low	47.5	Very low	28 Å²	28	83.5 Å²	83.5	20%	0.196	46%	0.457	C	S	.	.			trans	-71.1	94.8	171.1	75.3	0	0	0	0	108.3	E7 D76 T80	E7-S78 WeakPolarHBondContact O-CB 3.3Å; D76-S78 PolarHBondContact O-N 2.97Å; S78-T80 PolarHBondContact O-N 3.04Å
79	C	44.4	Very low	48.1	Very low	71 Å²	71	76.2 Å²	76.2	48%	0.48	43%	0.425	S	S	.	.			trans	-72.7	91.2	172.4	-73.8	0	0	0	0	109.1	T77 R81	T77-C79 PolarHBondContact O-N 3.23Å; C79-R81 PolarHBondContact O-N 3Å
80	T	45.1	Very low	48.7	Very low	52 Å²	52	71.7 Å²	71.7	32%	0.319	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	102.7	167.8	46.2	0	0	0	0	108.6	S78 S82	S78-T80 PolarHBondContact O-N 3.04Å; T80-S82 VanDerWaalsContact C-N 3.34Å; T80-S82 PolarHBondContact O-N 2.95Å
81	R	41.9	Very low	49.6	Very low	220 Å²	220	66.8 Å²	66.8	83%	0.83	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	89.1	174.4	-177.6	164.6	64	99.4	-2.3	108.9	C79	C79-R81 PolarHBondContact O-N 3Å
82	S	45.5	Very low	50.6	Low	59 Å²	59	65 Å²	65	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.1	164.4	-177.7	0	0	0	0	108.7	T80 Q84 G85	T80-S82 VanDerWaalsContact C-N 3.34Å; T80-S82 PolarHBondContact O-N 2.95Å; S82-Q84 PolarHBondContact O-N 3.47Å; S82-G85 PolarHBondContact O-N 2.94Å; S82-G85 VanDerWaalsContact O-N 3.1Å
83	S	49	Very low	51.5	Low	121 Å²	121	64 Å²	64	85%	0.846	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-3.3	-176.6	48.6	0	0	0	0	114.9
84	Q	47.6	Very low	51.9	Low	156 Å²	156	66.8 Å²	66.8	73%	0.729	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	14	174.9	-60	-165.1	0.7	0	0	114.9	K46 S82 C86	K46-Q84 PolarHBondContact NZ-O 3.03Å; S82-Q84 PolarHBondContact O-N 3.47Å; Q84-C86 PolarHBondContact O-N 3.24Å
85	G	49.2	Very low	52.4	Low	45 Å²	45	63.5 Å²	63.5	46%	0.464	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	17.2	176.2	0	0	0	0	0	114	K46 S82	K46-G85 VanDerWaalsContact CE-O 3.25Å; K46-G85 WeakPolarHBondContact CE-O 3.37Å; S82-G85 PolarHBondContact O-N 2.94Å; S82-G85 VanDerWaalsContact O-N 3.1Å
86	C	48.7	Very low	52.2	Low	32 Å²	32	65.7 Å²	65.7	22%	0.216	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	100.1	171.9	-156.9	0	0	0	0	108	D44 Q84	D44-C86 PolarHBondContact OD2-SG 2.8Å; Q84-C86 PolarHBondContact O-N 3.24Å
87	C	55.3	Low	52.1	Low	27 Å²	27	65.7 Å²	65.7	18%	0.182	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.7	169.4	-68.5	0	0	0	0	107.4	I43 K45	I43-C87 VanDerWaalsContact O-O 3.08Å; K45-C87 HydrophobicContact CB-CB 3.76Å; K45-C87 WeakPolarHBondContact CB-O 3.01Å; K45-C87 HydrophobicContact CD-CB 3.53Å; K45-C87 HydrophobicContact CG-CB 4.24Å; K45-C87 PolarHBondContact N-O 2.91Å
88	I	56.7	Low	51.9	Low	53 Å²	53	67.2 Å²	67.2	27%	0.272	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.4	175	-58	167.4	0	0	0	106.3	M42 I90	M42-I88 HydrophobicContact CB-CG2 3.83Å; M42-I88 HydrophobicContact CG-CG2 3.87Å; M42-I88 HydrophobicContact SD-CG2 4.48Å; I88-I90 HydrophobicContact CG2-CG1 4.2Å
89	F	60.9	Low	51.8	Low	40 Å²	40	71.5 Å²	71.5	18%	0.175	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132	164.1	-68.2	-90.3	0	0	0	107.6	M42 I43 K45	M42-F89 WeakPolarHBondContact CA-O 3.36Å; I43-F89 HydrophobicContact CB-CB 4.17Å; I43-F89 HydrophobicContact CB-CD2 4.44Å; I43-F89 HydrophobicContact CD1-CB 4.38Å; I43-F89 HydrophobicContact CG1-CB 4.31Å; I43-F89 PolarHBondContact N-O 2.92Å; I43-F89 PolarHBondContact O-N 3.28Å; K45-F89 HydrophobicContact CB-CE2 4.33Å; K45-F89 HydrophobicContact CD-CE2 3.96Å; K45-F89 HydrophobicContact CD-CZ 4.36Å; K45-F89 HydrophobicContact CG-CE2 3.98Å
90	I	59.4	Low	51.7	Low	10 Å²	10	75.9 Å²	75.9	5%	0.051	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.1	175.7	-63	163.9	0	0	0	105.2	I9 I40 I88	I9-I90 HydrophobicContact CB-CD1 3.79Å; I9-I90 HydrophobicContact CD1-CD1 3.61Å; I9-I90 HydrophobicContact CD1-CG1 4.1Å; I9-I90 HydrophobicContact CG1-CD1 4.2Å; I40-I90 HydrophobicContact CB-CG2 4.47Å; I40-I90 HydrophobicContact CG1-CG2 4.34Å; I40-I90 HydrophobicContact CG2-CB 4.32Å; I40-I90 HydrophobicContact CG2-CG1 4.24Å; I40-I90 HydrophobicContact CG2-CG2 3.62Å; I88-I90 HydrophobicContact CG2-CG1 4.2Å
91	L	62.8	Low	51.5	Low	15 Å²	15	79.1 Å²	79.1	8%	0.079	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.7	161.9	-65.6	93.3	0	0	0	107.5	A39 I40 K41 I43 V61 L75	A39-L91 VanDerWaalsContact O-O 3.1Å; I40-L91 WeakPolarHBondContact CA-O 3.29Å; K41-L91 HydrophobicContact CB-CB 4.15Å; K41-L91 HydrophobicContact CB-CD1 4.44Å; K41-L91 HydrophobicContact CD-CD1 4.48Å; K41-L91 PolarHBondContact N-O 2.89Å; K41-L91 PolarHBondContact O-N 2.81Å; K41-L91 VanDerWaalsContact O-N 3.16Å; I43-L91 HydrophobicContact CD1-CD1 3.77Å; I43-L91 HydrophobicContact CG1-CD1 4.41Å; V61-L91 HydrophobicContact CG2-CD2 4.39Å; L75-L91 HydrophobicContact CD1-CD2 4.37Å; L75-L91 HydrophobicContact CD2-CD2 3.91Å; L75-L91 HydrophobicContact CD2-CG 3.91Å; L75-L91 HydrophobicContact CG-CD2 4.22Å
92	M	61.4	Low	51.4	Low	15 Å²	15	76.2 Å²	76.2	7%	0.074	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.4	175.8	-159.5	174.7	-139.2	0	0	108.9	I5 F12 V38 A39 L73	I5-M92 HydrophobicContact CB-SD 4.47Å; I5-M92 HydrophobicContact CG2-CE 3.52Å; I5-M92 HydrophobicContact CG2-SD 3.64Å; F12-M92 HydrophobicContact CD1-CE 3.46Å; F12-M92 VanDerWaalsContact CD1-CE 3.46Å; F12-M92 HydrophobicContact CD2-CE 4.41Å; F12-M92 HydrophobicContact CE1-CE 2.95Å; F12-M92 HydrophobicContact CE1-SD 4.31Å; F12-M92 HydrophobicContact CE2-CE 3.97Å; F12-M92 HydrophobicContact CG-CE 4.2Å; F12-M92 HydrophobicContact CZ-CE 3.22Å; F12-M92 HydrophobicContact CZ-SD 4.14Å; V38-M92 HydrophobicContact CB-CE 3.55Å; V38-M92 HydrophobicContact CB-CG 4Å; V38-M92 HydrophobicContact CB-SD 4.47Å; V38-M92 HydrophobicContact CG1-CE 3.49Å; V38-M92 VanDerWaalsContact CG1-CE 3.49Å; V38-M92 HydrophobicContact CG1-CG 4.14Å; V38-M92 HydrophobicContact CG1-SD 4.15Å; V38-M92 HydrophobicContact CG2-CE 3.43Å; V38-M92 VanDerWaalsContact CG2-CE 3.43Å; A39-M92 CarbonylContact O-C 3.48Å; A39-M92 VanDerWaalsContact O-CA 3.25Å; A39-M92 WeakPolarHBondContact O-CA 3.11Å; L73-M92 WeakPolarHBondContact CB-O 3.47Å; L73-M92 HydrophobicContact CD2-CB 3.68Å; L73-M92 HydrophobicContact CD2-CG 3.72Å; L73-M92 WeakPolarHBondContact CD2-O 3.31Å; L73-M92 HydrophobicContact CD2-SD 4.43Å; L73-M92 WeakPolarHBondContact CG-O 3.41Å
93	V	64.2	Low	50.9	Low	42 Å²	42	77.3 Å²	77.3	26%	0.255	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.5	163.1	-178.2	0	0	0	0	111.2	V38 A39 L73 Y95	V38-V93 CarbonylContact C-O 3.59Å; V38-V93 WeakPolarHBondContact CA-O 3.41Å; A39-V93 HydrophobicContact CB-CB 4.32Å; A39-V93 PolarHBondContact N-O 2.76Å; A39-V93 PolarHBondContact O-N 2.75Å; L73-V93 VanDerWaalsContact CD1-CA 3.47Å; L73-V93 HydrophobicContact CD1-CB 4.17Å; L73-V93 HydrophobicContact CD1-CG1 3.9Å; L73-V93 VanDerWaalsContact CD2-C 3.47Å; V93-Y95 HydrophobicContact CB-CE2 4.15Å; V93-Y95 HydrophobicContact CG1-CE1 4.09Å; V93-Y95 HydrophobicContact CG1-CE2 4.02Å; V93-Y95 WeakPolarHBondContact O-CD2 3.29Å; V93-Y95 VanDerWaalsContact O-CE2 3.28Å; V93-Y95 WeakPolarHBondContact O-CE2 3.25Å
94	Y	58.6	Low	50.3	Low	78 Å²	78	77 Å²	77	31%	0.306	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.5	175.5	-179.9	-106.5	0	0	0	109.7	L36 L73 T96	L36-Y94 HydrophobicContact CB-CE2 4.14Å; L36-Y94 HydrophobicContact CD1-CD2 4.49Å; L36-Y94 HydrophobicContact CD1-CE2 3.73Å; L36-Y94 HydrophobicContact CD2-CE2 3.84Å; L36-Y94 HydrophobicContact CG-CE2 4.09Å; L73-Y94 VanDerWaalsContact CG-N 3.29Å; Y94-T96 HydrophobicContact CD1-CG2 4.32Å; Y94-T96 HydrophobicContact CE1-CG2 4.24Å
95	Y	55.9	Low	49.7	Very low	82 Å²	82	82.7 Å²	82.7	32%	0.322	46%	0.459	S	S	.	.			trans	-100.1	96.7	-179.2	-63.6	-87.8	0	0	0	109.4	A39 V93 G97	A39-Y95 HydrophobicContact CB-CE2 3.52Å; A39-Y95 WeakPolarHBondContact CB-OH 3.09Å; V93-Y95 HydrophobicContact CB-CE2 4.15Å; V93-Y95 HydrophobicContact CG1-CE1 4.09Å; V93-Y95 HydrophobicContact CG1-CE2 4.02Å; V93-Y95 WeakPolarHBondContact O-CD2 3.29Å; V93-Y95 VanDerWaalsContact O-CE2 3.28Å; V93-Y95 WeakPolarHBondContact O-CE2 3.25Å; Y95-G97 PolarHBondContact O-N 3.41Å; Y95-G97 VanDerWaalsContact O-N 3.13Å
96	T	46.4	Very low	49.7	Very low	83 Å²	83	84.6 Å²	84.6	51%	0.509	46%	0.459	S	S	.	.			trans	-80.3	90.4	167.1	164.4	0	0	0	0	109.1	Y94	Y94-T96 HydrophobicContact CD1-CG2 4.32Å; Y94-T96 HydrophobicContact CE1-CG2 4.24Å
97	G	48.3	Very low	49.8	Very low	71 Å²	71	87.4 Å²	87.4	73%	0.732	47%	0.472	S	S	*	.	S	Bend	trans	83.7	16.9	146.3	0	0	0	0	0	120.3	Y95	Y95-G97 PolarHBondContact O-N 3.41Å; Y95-G97 VanDerWaalsContact O-N 3.13Å
98	T	42.8	Very low	49.5	Very low	112 Å²	112	90.7 Å²	90.7	69%	0.687	49%	0.488	S	S	*	.			trans	-139.4	129.3	171.8	41	0	0	0	0	113.2	H100	T98-H100 PolarHBondContact O-N 3.1Å
99	S	43	Very low	49.1	Very low	118 Å²	118	92.9 Å²	92.9	83%	0.825	50%	0.501	S	S	*	.			trans	-67.2	24.8	-176.5	-45.5	0	0	0	0	115.5
100	H	42.6	Very low	48.3	Very low	162 Å²	162	96.3 Å²	96.3	75%	0.75	52%	0.521	S	S	*	.			trans	-110.3	104	-178.2	-96	-112.7	0	0	0	110.5	T98 L102	T98-H100 PolarHBondContact O-N 3.1Å; H100-L102 PolarHBondContact O-N 2.84Å; H100-L102 VanDerWaalsContact O-N 3.08Å
101	F	42.1	Very low	47.6	Very low	120 Å²	120	102 Å²	102	53%	0.526	55%	0.552	S	S	.	*			trans	-68.6	99.9	171.8	-68.2	-84.9	0	0	0	109.4	L18 T103	L18-F101 HydrophobicContact CD1-CD1 4.32Å; L18-F101 HydrophobicContact CD1-CE1 4.02Å; L18-F101 HydrophobicContact CD2-CD1 3.99Å; L18-F101 HydrophobicContact CD2-CE1 3.38Å; L18-F101 HydrophobicContact CD2-CZ 4.06Å; L18-F101 HydrophobicContact CG-CE1 4.28Å; F101-T103 VanDerWaalsContact C-N 3.32Å; F101-T103 PolarHBondContact O-N 2.97Å
102	L	38.2	Very low	46.5	Very low	160 Å²	160	108.2 Å²	108.2	84%	0.838	59%	0.586	S	S	*	*			trans	-76.8	89.3	166.3	-78.5	165.7	0	0	0	108.6	H100 S104	H100-L102 PolarHBondContact O-N 2.84Å; H100-L102 VanDerWaalsContact O-N 3.08Å; L102-S104 PolarHBondContact O-N 3.12Å; L102-S104 VanDerWaalsContact O-N 3.13Å
103	T	35.3	Very low	45.3	Very low	81 Å²	81	115.4 Å²	115.4	50%	0.497	63%	0.625	S	S	.	*			trans	-73.1	95	163.1	-21.8	0	0	0	0	106.9	F101 Y105	F101-T103 VanDerWaalsContact C-N 3.32Å; F101-T103 PolarHBondContact O-N 2.97Å; T103-Y105 PolarHBondContact O-N 2.91Å
104	S	37.6	Very low	43.8	Very low	114 Å²	114	121.5 Å²	121.5	80%	0.797	66%	0.656	S	S	*	*			trans	-72.2	112.5	166.5	-163.5	0	0	0	0	107.7	L102	L102-S104 PolarHBondContact O-N 3.12Å; L102-S104 VanDerWaalsContact O-N 3.13Å
105	Y	34.7	Very low	42.4	Very low	277 Å²	277	125.5 Å²	125.5	100%	1.086	69%	0.688	S	S	*	*			trans	-68.6	0	170.3	-76.2	-92.5	0	0	0	111.4	T103	T103-Y105 PolarHBondContact O-N 2.91Å

Retrieved 105 of 105 residues in 66 ms (Link to these results)

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