RALA_HUMAN Loading...

Ras-related protein Ral-A

Multifunctional GTPase involved in a variety of cellular processes including gene expression, cell migration, cell proliferation, oncogenic transformation and membrane trafficking. Accomplishes its multiple functions by interacting with distinct downstream effectors^1,2,3,4,5. Acts as a GTP sensor for GTP-dependent exocytosis of dense core vesicles. The RALA-exocyst complex regulates integrin-dependent membrane raft exocytosis and growth signaling⁶. Key regulator of LPAR1 signaling and competes with GRK2 for binding to LPAR1 thus affecting the signaling properties of the receptor. Required for anchorage-independent proliferation of transformed cells⁷. During mitosis, supports the stabilization and elongation of the intracellular bridge between dividing cells. Cooperates with EXOC2 to recruit other components of the exocyst to the early midbody⁸. During mitosis, also controls mitochondrial fission by recruiting to the mitochondrion RALBP1, which mediates the phosphorylation and activation of DNM1L by the mitotic kinase cyclin B-CDK1⁹.

AlphaFold DB , UniProt , Accession P11233, Species HUMAN (Homo sapiens, Human), Gene RALA, Length 206 aa.

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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	40.9	Very low	49.9	Very low	245 Å²	245	149.5 Å²	149.5	100%	1.207	86%	0.855	S	S	*	*				0	103.9	0	-64.5	-174.6	-173.9	0	0	107.8	A3	M1-A3 PolarHBondContact O-N 3.4Å
2	A	41.4	Very low	53.1	Low	106 Å²	106	140.6 Å²	140.6	88%	0.876	80%	0.802	S	S	*	*			trans	-79.4	113.8	177.2	0	0	0	0	0	108.4	N4	A2-N4 PolarHBondContact O-N 3.25Å
3	A	43.6	Very low	56.3	Low	99 Å²	99	133.1 Å²	133.1	82%	0.818	77%	0.768	S	S	*	*			trans	-62.9	116.9	177	0	0	0	0	0	109.5	M1 K5	M1-A3 PolarHBondContact O-N 3.4Å; A3-K5 PolarHBondContact O-N 3.17Å
4	N	41.9	Very low	59.2	Low	155 Å²	155	127 Å²	127	83%	0.829	73%	0.731	S	S	*	*			trans	-65.3	100.8	176.4	-160.1	15.8	0	0	0	108.1	A2	A2-N4 PolarHBondContact O-N 3.25Å
5	K	42.1	Very low	61.8	Low	191 Å²	191	118.8 Å²	118.8	83%	0.83	68%	0.684	S	S	*	*			trans	-59	129.4	173.5	-102.7	-177.6	177.2	179.5	0	108.2	A3 K7	A3-K5 PolarHBondContact O-N 3.17Å; K5-K7 PolarHBondContact O-N 3.21Å
6	P	44.1	Very low	64.1	Low	121 Å²	121	115.9 Å²	115.9	79%	0.786	66%	0.661	S	S	*	*			trans	-58.9	129.5	-178.7	-4.1	9.1	0	0	0	110.1	G8	P6-G8 PolarHBondContact O-N 3.32Å; P6-G8 VanDerWaalsContact O-N 3.16Å
7	K	48.1	Very low	66.2	Low	205 Å²	205	109.1 Å²	109.1	89%	0.891	62%	0.622	S	S	*	*	S	Bend	trans	-58.2	115.3	174.8	-70.3	-179.6	174.5	177.5	0	109.1	K5	K5-K7 PolarHBondContact O-N 3.21Å
8	G	50.5	Low	67.9	Low	67 Å²	67	103.3 Å²	103.3	69%	0.691	59%	0.588	S	S	*	*			trans	59.8	88.7	165.8	0	0	0	0	0	114.2	P6 N10	P6-G8 PolarHBondContact O-N 3.32Å; P6-G8 VanDerWaalsContact O-N 3.16Å; G8-N10 VanDerWaalsContact C-N 3.26Å; G8-N10 PolarHBondContact O-N 3.2Å
9	Q	52.7	Low	69.4	Low	193 Å²	193	97.8 Å²	97.8	90%	0.902	56%	0.557	S	S	*	*			trans	-54.9	105.2	148.1	-95.4	173.3	-25.1	0	0	105.9	S11	Q9-S11 PolarHBondContact O-N 3.07Å
10	N	61.2	Low	70.7	Confident	158 Å²	158	93 Å²	93	85%	0.845	53%	0.53	S	S	*	.			trans	-60.7	105.6	177.6	-149	22.1	0	0	0	105.3	G8 L12	G8-N10 VanDerWaalsContact C-N 3.26Å; G8-N10 PolarHBondContact O-N 3.2Å; N10-L12 PolarHBondContact O-N 3.47Å; N10-L12 VanDerWaalsContact O-N 3.14Å
11	S	82.5	Confident	71.9	Confident	105 Å²	105	88.6 Å²	88.6	73%	0.734	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-65.1	119.8	-175.3	60.3	0	0	0	0	107.6	Q9	Q9-S11 PolarHBondContact O-N 3.07Å
12	L	88.6	Confident	74.4	Confident	42 Å²	42	78.2 Å²	78.2	22%	0.22	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-52.7	142.5	175.7	-59	175.6	0	0	0	109.7	N10 L14 K54 E61 Q63	N10-L12 PolarHBondContact O-N 3.47Å; N10-L12 VanDerWaalsContact O-N 3.14Å; L12-L14 PolarHBondContact O-N 3.03Å; L12-K54 HydrophobicContact CD1-CD 3.92Å; L12-K54 HydrophobicContact CD1-CG 4.04Å; L12-E61 HydrophobicContact CD1-CG 3.95Å; L12-E61 HydrophobicContact CD2-CB 4.18Å; L12-E61 HydrophobicContact CD2-CG 4.21Å; L12-Q63 HydrophobicContact CB-CG 4.18Å; L12-Q63 HydrophobicContact CD1-CG 4.05Å
13	A	94.2	Very high	76.7	Confident	43 Å²	43	74.3 Å²	74.3	36%	0.355	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-59.1	123.3	175.7	0	0	0	0	0	109.5	V62 Q63	A13-V62 HydrophobicContact CB-CG1 4.22Å; A13-Q63 PolarHBondContact O-N 3.19Å
14	L	97.1	Very high	79.1	Confident	48 Å²	48	70.7 Å²	70.7	25%	0.251	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.2	178.8	175.7	64.8	0	0	0	110.1	L12 K16 Q63 D65 K179	L12-L14 PolarHBondContact O-N 3.03Å; L14-K16 HydrophobicContact CD2-CG 4.35Å; L14-K16 HydrophobicContact CG-CG 4.42Å; L14-Q63 CarbonylContact C-O 3.51Å; L14-Q63 WeakPolarHBondContact CA-O 3.34Å; L14-Q63 HydrophobicContact CD1-CB 3.72Å; L14-D65 HydrophobicContact CD1-CB 3.66Å; L14-D65 HydrophobicContact CG-CB 4.45Å; L14-K179 PolarHBondContact O-NZ 2.98Å
15	H	98.3	Very high	81.6	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.019	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117	175.9	-60.4	66.1	0	0	0	108.9	Q63 I64 D65 E87 M172 I175	H15-Q63 PolarHBondContact N-O 3.19Å; H15-Q63 PolarHBondContact ND1-O 3.42Å; H15-I64 WeakPolarHBondContact O-CA 3.4Å; H15-D65 PolarHBondContact O-N 3.18Å; H15-E87 VanDerWaalsContact CA-OE2 3.31Å; H15-E87 WeakPolarHBondContact CA-OE2 3.32Å; H15-M172 HydrophobicContact CB-CE 4.13Å; H15-M172 HydrophobicContact CB-CG 4.29Å; H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 HydrophobicContact CB-CG2 4.35Å
16	K	98.5	Very high	84.2	Confident	73 Å²	73	55 Å²	55	32%	0.317	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	110.9	-179.4	-63.7	-178.4	176.6	-175	0	110.7	L14 D65 S85 E87 G88	L14-K16 HydrophobicContact CD2-CG 4.35Å; L14-K16 HydrophobicContact CG-CG 4.42Å; K16-D65 CarbonylContact C-O 3.55Å; K16-D65 WeakPolarHBondContact CA-O 3.42Å; K16-D65 HydrophobicContact CG-CB 4.4Å; K16-S85 VanDerWaalsContact CD-O 3.32Å; K16-S85 WeakPolarHBondContact CD-O 3.42Å; K16-E87 HydrophobicContact CB-CB 4.4Å; K16-E87 HydrophobicContact CB-CG 4.1Å; K16-E87 PolarHBondContact N-OE2 3.11Å; K16-E87 WeakPolarHBondContact O-CA 3.2Å; K16-E87 PolarHBondContact O-N 3.14Å; K16-G88 PolarHBondContact O-N 3.17Å; K16-G88 VanDerWaalsContact O-N 3.15Å
17	V	98.7	Very high	86.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	178.3	173.2	0	0	0	0	108.9	M19 I64 D65 I66 L67 G88 L90 F168 L171 I175	V17-M19 HydrophobicContact CG1-SD 4.44Å; V17-I64 HydrophobicContact CB-CD1 4.38Å; V17-I64 HydrophobicContact CG2-CD1 3.88Å; V17-I64 HydrophobicContact CG2-CG1 4.11Å; V17-D65 PolarHBondContact N-O 3.06Å; V17-I66 HydrophobicContact CB-CG1 4.49Å; V17-I66 CarbonylContact O-C 3.49Å; V17-I66 WeakPolarHBondContact O-CA 3.32Å; V17-L67 PolarHBondContact O-N 2.97Å; V17-G88 WeakPolarHBondContact CA-O 2.85Å; V17-L90 HydrophobicContact CG1-CD1 4.28Å; V17-L90 HydrophobicContact CG1-CG 4.07Å; V17-F168 HydrophobicContact CG1-CD1 4.5Å; V17-F168 HydrophobicContact CG1-CE1 4.41Å; V17-L171 HydrophobicContact CB-CD2 4.34Å; V17-L171 HydrophobicContact CG1-CD2 3.66Å; V17-L171 HydrophobicContact CG2-CD2 3.85Å; V17-I175 HydrophobicContact CG2-CD1 3.91Å
18	I	97.4	Very high	88.9	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.2	173	-45.4	-60.9	0	0	0	108.5	V20 L67 T69 F83 G88 F89 L90	I18-V20 HydrophobicContact CG2-CG1 3.93Å; I18-L67 HydrophobicContact CD1-CB 3.58Å; I18-L67 HydrophobicContact CD1-CD2 3.83Å; I18-L67 HydrophobicContact CD1-CG 4.35Å; I18-L67 HydrophobicContact CG2-CD2 4.47Å; I18-T69 HydrophobicContact CG2-CG2 3.8Å; I18-F83 HydrophobicContact CG2-CD1 4.48Å; I18-G88 PolarHBondContact N-O 3.21Å; I18-F89 HydrophobicContact CB-CD1 3.78Å; I18-F89 HydrophobicContact CB-CE1 3.9Å; I18-F89 HydrophobicContact CG1-CD1 4.19Å; I18-F89 HydrophobicContact CG1-CE1 3.84Å; I18-F89 HydrophobicContact CG1-CZ 4.48Å; I18-F89 HydrophobicContact CG2-CD1 4.44Å; I18-F89 HydrophobicContact CG2-CE1 4.44Å; I18-F89 WeakPolarHBondContact O-CA 3.41Å; I18-L90 PolarHBondContact O-N 2.95Å
19	M	97	Very high	91.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.7	169.4	-54.3	-59.7	-69.2	0	0	108.5	V17 K27 L30 I66 L67 T69 L90 V92 F168	V17-M19 HydrophobicContact CG1-SD 4.44Å; M19-K27 HydrophobicContact CB-CB 4.06Å; M19-K27 HydrophobicContact CB-CD 4.12Å; M19-K27 HydrophobicContact CB-CG 4.33Å; M19-K27 HydrophobicContact CE-CB 4.47Å; M19-L30 HydrophobicContact CE-CB 4.22Å; M19-L30 HydrophobicContact CE-CD1 4.35Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 4.03Å; M19-L67 PolarHBondContact N-O 2.81Å; M19-T69 WeakPolarHBondContact O-CG2 3.39Å; M19-T69 PolarHBondContact O-OG1 3.39Å; M19-L90 HydrophobicContact CE-CB 4.11Å; M19-L90 HydrophobicContact CE-CD1 4.05Å; M19-L90 HydrophobicContact SD-CB 3.83Å; M19-L90 HydrophobicContact SD-CD1 3.69Å; M19-L90 HydrophobicContact SD-CG 4.2Å; M19-V92 HydrophobicContact CE-CG2 3.76Å; M19-F168 HydrophobicContact CE-CZ 4.17Å; M19-F168 HydrophobicContact SD-CE1 3.8Å; M19-F168 HydrophobicContact SD-CZ 3.93Å
20	V	95.2	Very high	93.2	Very high	1 Å²	1	30 Å²	30	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.1	174.6	-57.4	0	0	0	0	110.5	I18 F83 F89 L90 C91 V92 F107 I111	I18-V20 HydrophobicContact CG2-CG1 3.93Å; V20-F83 HydrophobicContact CG1-CD1 4.46Å; V20-F83 HydrophobicContact CG1-CE1 3.55Å; V20-F83 HydrophobicContact CG1-CZ 4.04Å; V20-F89 HydrophobicContact CG1-CD1 4.36Å; V20-L90 PolarHBondContact N-O 3.05Å; V20-C91 HydrophobicContact CG2-CB 3.88Å; V20-V92 PolarHBondContact O-N 3.28Å; V20-F107 HydrophobicContact CB-CD1 3.99Å; V20-F107 HydrophobicContact CB-CE1 4.44Å; V20-F107 HydrophobicContact CB-CG 4.42Å; V20-F107 HydrophobicContact CG2-CB 4.26Å; V20-F107 HydrophobicContact CG2-CD1 4.45Å; V20-F107 HydrophobicContact CG2-CG 4.44Å; V20-I111 HydrophobicContact CG1-CD1 4.3Å; V20-I111 HydrophobicContact CG2-CD1 3.91Å
21	G	95.2	Very high	95	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	15%	0.153	C	C	.	.			trans	137.3	163.5	-174.7	0	0	0	0	0	112.3	K27 V92 F107	G21-K27 PolarHBondContact O-NZ 3.26Å; G21-V92 VanDerWaalsContact CA-O 3.29Å; G21-V92 WeakPolarHBondContact CA-O 3.01Å; G21-F107 VanDerWaalsContact C-CE2 3.5Å; G21-F107 VanDerWaalsContact C-CZ 3.5Å; G21-F107 VanDerWaalsContact CA-CE2 3.46Å
22	S	93.3	Very high	95.6	Very high	26 Å²	26	19.3 Å²	19.3	18%	0.182	13%	0.127	C	C	.	.			trans	-56.9	166	-177.8	-56.9	0	0	0	0	113.5	V25 K27	S22-V25 VanDerWaalsContact O-CG2 3.29Å; S22-V25 WeakPolarHBondContact O-CG2 3.4Å; S22-K27 PolarHBondContact O-NZ 3.25Å
23	G	91.2	Very high	96	Very high	24 Å²	24	17.9 Å²	17.9	25%	0.247	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	148	171.3	0	0	0	0	0	111.5	V25	G23-V25 PolarHBondContact O-N 2.96Å; G23-V25 VanDerWaalsContact O-N 3.07Å
24	G	92.2	Very high	96.2	Very high	24 Å²	24	16 Å²	16	25%	0.247	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	-2.2	173.3	0	0	0	0	0	117.4	G26 Y43 K128	G24-G26 PolarHBondContact O-N 3.36Å; G24-Y43 PolarHBondContact N-OH 3.14Å; G24-K128 WeakPolarHBondContact O-CE 3.44Å; G24-K128 PolarHBondContact O-NZ 3.41Å
25	V	95.6	Very high	96.2	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-71.5	-15	179.4	-56	0	0	0	0	113.8	S22 G23 K27 V92 N127	S22-V25 VanDerWaalsContact O-CG2 3.29Å; S22-V25 WeakPolarHBondContact O-CG2 3.4Å; G23-V25 PolarHBondContact O-N 2.96Å; G23-V25 VanDerWaalsContact O-N 3.07Å; V25-K27 HydrophobicContact CG2-CG 3.76Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 3.99Å; V25-V92 HydrophobicContact CG2-CG1 3.86Å; V25-N127 PolarHBondContact O-ND2 2.92Å
26	G	96.3	Very high	96	Very high	17 Å²	17	19.7 Å²	19.7	18%	0.175	12%	0.115	C	C	.	.	S	Bend	trans	99.4	27.2	176.5	0	0	0	0	0	116.1	G24 S28 A29 L30	G24-G26 PolarHBondContact O-N 3.36Å; G26-S28 PolarHBondContact O-N 3.27Å; G26-A29 PolarHBondContact O-N 3.45Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 2.89Å
27	K	95.8	Very high	95.8	Very high	10 Å²	10	21.6 Å²	21.6	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-54.1	-50.8	174.1	-60.8	-172.9	-60.1	-74.6	0	112.6	M19 G21 S22 V25 L30 T31 D68 T69 V92	M19-K27 HydrophobicContact CB-CB 4.06Å; M19-K27 HydrophobicContact CB-CD 4.12Å; M19-K27 HydrophobicContact CB-CG 4.33Å; M19-K27 HydrophobicContact CE-CB 4.47Å; G21-K27 PolarHBondContact O-NZ 3.26Å; S22-K27 PolarHBondContact O-NZ 3.25Å; V25-K27 HydrophobicContact CG2-CG 3.76Å; K27-L30 PolarHBondContact O-N 3.25Å; K27-T31 WeakPolarHBondContact O-CB 3.36Å; K27-T31 PolarHBondContact O-N 2.91Å; K27-T31 PolarHBondContact O-OG1 3.46Å; K27-D68 WeakPolarHBondContact CB-OD1 3.37Å; K27-T69 WeakPolarHBondContact CE-O 3.44Å; K27-V92 HydrophobicContact CG-CB 4.17Å; K27-V92 HydrophobicContact CG-CG2 4.28Å
28	S	95.1	Very high	95.5	Very high	27 Å²	27	26.9 Å²	26.9	19%	0.189	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-41	178.4	-47.3	0	0	0	0	111.9	G26 L30 T31 L32 T46 D68	G26-S28 PolarHBondContact O-N 3.27Å; S28-L30 PolarHBondContact O-N 3.47Å; S28-T31 PolarHBondContact O-N 3.16Å; S28-L32 WeakPolarHBondContact O-CB 3.44Å; S28-L32 WeakPolarHBondContact O-CG 3.34Å; S28-L32 PolarHBondContact O-N 2.97Å; S28-T46 PolarHBondContact OG-OG1 2.85Å; S28-D68 WeakPolarHBondContact CA-OD2 3.49Å; S28-D68 WeakPolarHBondContact CB-OD2 3.29Å; S28-D68 PolarHBondContact OG-OD1 3.27Å; S28-D68 PolarHBondContact OG-OD2 3.01Å
29	A	96.4	Very high	95.2	Very high	23 Å²	23	30.2 Å²	30.2	19%	0.19	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-43.4	176.1	0	0	0	0	0	112.1	G26 Q33 F39 A158	G26-A29 PolarHBondContact O-N 3.45Å; A29-Q33 WeakPolarHBondContact O-CB 3.44Å; A29-Q33 PolarHBondContact O-N 3.44Å; A29-F39 HydrophobicContact CB-CD2 4.24Å; A29-F39 HydrophobicContact CB-CE2 4.09Å; A29-A158 HydrophobicContact CB-CB 3.64Å
30	L	98.4	Very high	94.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-42.5	173.3	-73.2	173	0	0	0	111.9	M19 G26 K27 S28 F34 V92 V125 N127 A158 V164	M19-L30 HydrophobicContact CE-CB 4.22Å; M19-L30 HydrophobicContact CE-CD1 4.35Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 2.89Å; K27-L30 PolarHBondContact O-N 3.25Å; S28-L30 PolarHBondContact O-N 3.47Å; L30-F34 WeakPolarHBondContact O-CB 3.35Å; L30-F34 PolarHBondContact O-N 2.95Å; L30-V92 HydrophobicContact CD1-CG1 3.92Å; L30-V92 HydrophobicContact CD1-CG2 4.14Å; L30-V125 HydrophobicContact CD1-CG1 4.18Å; L30-N127 HydrophobicContact CD1-CB 4.25Å; L30-A158 HydrophobicContact CD2-CB 3.91Å; L30-A158 HydrophobicContact CG-CB 4.17Å; L30-V164 HydrophobicContact CD2-CG2 3.79Å
31	T	97.2	Very high	94	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-54.6	179.4	-58.3	0	0	0	0	110.9	K27 S28 Q33 F34 M35 Y51 I66 D68	K27-T31 WeakPolarHBondContact O-CB 3.36Å; K27-T31 PolarHBondContact O-N 2.91Å; K27-T31 PolarHBondContact O-OG1 3.46Å; S28-T31 PolarHBondContact O-N 3.16Å; T31-Q33 VanDerWaalsContact C-N 3.33Å; T31-Q33 PolarHBondContact O-N 2.9Å; T31-F34 PolarHBondContact O-N 3.39Å; T31-M35 HydrophobicContact CG2-CG 4.22Å; T31-M35 WeakPolarHBondContact O-CB 3.45Å; T31-M35 WeakPolarHBondContact O-CG 3.4Å; T31-M35 PolarHBondContact O-N 2.92Å; T31-Y51 HydrophobicContact CG2-CD2 3.56Å; T31-Y51 HydrophobicContact CG2-CE2 3.98Å; T31-Y51 HydrophobicContact CG2-CG 4.13Å; T31-I66 HydrophobicContact CG2-CB 4.22Å; T31-I66 HydrophobicContact CG2-CD1 4.26Å; T31-I66 HydrophobicContact CG2-CG2 3.8Å; T31-D68 HydrophobicContact CG2-CB 4.42Å
32	L	95.7	Very high	93.4	Very high	37 Å²	37	47.4 Å²	47.4	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-39.3	179.9	-65.5	177	0	0	0	111.8	S28 F34 M35 Y36 E38 Y51	S28-L32 WeakPolarHBondContact O-CB 3.44Å; S28-L32 WeakPolarHBondContact O-CG 3.34Å; S28-L32 PolarHBondContact O-N 2.97Å; L32-F34 PolarHBondContact O-N 2.89Å; L32-M35 PolarHBondContact O-N 2.85Å; L32-Y36 HydrophobicContact CD2-CD2 3.89Å; L32-Y36 HydrophobicContact CD2-CE2 4Å; L32-Y36 PolarHBondContact O-N 3.3Å; L32-E38 CarbonylContact C-O 3.58Å; L32-Y51 HydrophobicContact CD2-CE1 3.83Å
33	Q	97.5	Very high	92.4	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-45.2	176.3	-173.1	66.3	-65.6	0	0	111	A29 T31 D37 E38 A158 R161 V164	A29-Q33 WeakPolarHBondContact O-CB 3.44Å; A29-Q33 PolarHBondContact O-N 3.44Å; T31-Q33 VanDerWaalsContact C-N 3.33Å; T31-Q33 PolarHBondContact O-N 2.9Å; Q33-D37 WeakPolarHBondContact O-CA 3.42Å; Q33-D37 PolarHBondContact O-N 3.46Å; Q33-D37 VanDerWaalsContact OE1-CA 3.31Å; Q33-E38 VanDerWaalsContact CA-O 3.27Å; Q33-E38 WeakPolarHBondContact CA-O 3.48Å; Q33-E38 PolarHBondContact N-O 2.85Å; Q33-E38 VanDerWaalsContact OE1-N 3.08Å; Q33-A158 WeakPolarHBondContact CG-O 3.32Å; Q33-A158 PolarHBondContact NE2-O 2.92Å; Q33-R161 HydrophobicContact CG-CB 4.4Å; Q33-R161 HydrophobicContact CG-CG 4.07Å; Q33-R161 PolarHBondContact O-NH1 2.67Å; Q33-R161 PolarHBondContact O-NH2 2.95Å; Q33-V164 HydrophobicContact CB-CG1 4.25Å; Q33-V164 HydrophobicContact CG-CG1 4.12Å; Q33-V164 HydrophobicContact CG-CG2 4.13Å
34	F	98.3	Very high	91.8	Very high	3 Å²	3	59.6 Å²	59.6	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-40.6	175.6	178.3	-105.4	0	0	0	113.2	L30 T31 L32 K53 V55 I64 I66 V164 D165 F168 F169	L30-F34 WeakPolarHBondContact O-CB 3.35Å; L30-F34 PolarHBondContact O-N 2.95Å; T31-F34 PolarHBondContact O-N 3.39Å; L32-F34 PolarHBondContact O-N 2.89Å; F34-K53 PolarHBondContact O-NZ 3.05Å; F34-V55 HydrophobicContact CZ-CG1 4.12Å; F34-I64 HydrophobicContact CE1-CD1 4.06Å; F34-I64 HydrophobicContact CE1-CG2 3.89Å; F34-I64 HydrophobicContact CZ-CG2 4.47Å; F34-I66 HydrophobicContact CD1-CD1 3.62Å; F34-I66 HydrophobicContact CE1-CD1 4.02Å; F34-V164 HydrophobicContact CB-CG1 3.84Å; F34-D165 WeakPolarHBondContact CD2-OD1 3.31Å; F34-F168 HydrophobicContact CB-CD2 3.55Å; F34-F168 HydrophobicContact CB-CE2 3.41Å; F34-F168 VanDerWaalsContact CB-CE2 3.41Å; F34-F168 HydrophobicContact CB-CG 4.45Å; F34-F168 HydrophobicContact CB-CZ 4.2Å; F34-F168 HydrophobicContact CD1-CB 4.43Å; F34-F168 HydrophobicContact CD1-CD1 4.31Å; F34-F168 AromaticContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CE2 4.21Å; F34-F168 AromaticContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD2-CB 4Å; F34-F168 AromaticContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 AromaticContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CE1-CB 4.19Å; F34-F168 HydrophobicContact CE1-CD1 4.48Å; F34-F168 HydrophobicContact CE1-CD2 4.48Å; F34-F168 HydrophobicContact CE1-CG 4.14Å; F34-F168 HydrophobicContact CE2-CB 3.73Å; F34-F168 HydrophobicContact CE2-CD2 4.18Å; F34-F168 HydrophobicContact CE2-CG 4.16Å; F34-F168 HydrophobicContact CG-CB 4.34Å; F34-F168 AromaticContact CG-CD2 3.36Å; F34-F168 HydrophobicContact CG-CD2 3.36Å; F34-F168 AromaticContact CG-CE2 3.74Å; F34-F168 HydrophobicContact CG-CE2 3.74Å; F34-F168 AromaticContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CZ 4.48Å; F34-F168 HydrophobicContact CZ-CB 3.82Å; F34-F168 HydrophobicContact CZ-CG 4.23Å; F34-F169 HydrophobicContact CE2-CE2 4.09Å
35	M	96.4	Very high	91.3	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.039	32%	0.32	C	S	.	.	H	α-helix	trans	-75.3	-44.2	-174.4	-66.2	-54.4	-85.1	0	0	112.7	T31 L32 Y51 K53 I66	T31-M35 HydrophobicContact CG2-CG 4.22Å; T31-M35 WeakPolarHBondContact O-CB 3.45Å; T31-M35 WeakPolarHBondContact O-CG 3.4Å; T31-M35 PolarHBondContact O-N 2.92Å; L32-M35 PolarHBondContact O-N 2.85Å; M35-Y51 VanDerWaalsContact CE-C 3.5Å; M35-K53 HydrophobicContact CE-CB 3.31Å; M35-K53 HydrophobicContact CE-CD 4.4Å; M35-K53 HydrophobicContact CE-CG 4.5Å; M35-K53 PolarHBondContact O-NZ 3.07Å; M35-K53 HydrophobicContact SD-CB 3.76Å; M35-K53 HydrophobicContact SD-CD 4.01Å; M35-I66 HydrophobicContact CG-CD1 4.14Å; M35-I66 HydrophobicContact SD-CD1 3.72Å
36	Y	95.4	Very high	90.6	Very high	123 Å²	123	64.6 Å²	64.6	48%	0.482	33%	0.328	S	S	.	.	H	α-helix	trans	-126.9	-1.2	-166.3	-54.5	-59.5	0	0	0	114.9	L32 E38 Y51	L32-Y36 HydrophobicContact CD2-CD2 3.89Å; L32-Y36 HydrophobicContact CD2-CE2 4Å; L32-Y36 PolarHBondContact O-N 3.3Å; Y36-E38 PolarHBondContact O-N 3.48Å; Y36-Y51 AromaticContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å
37	D	94.5	Very high	89.7	Confident	112 Å²	112	72.4 Å²	72.4	60%	0.599	36%	0.357	S	S	*	.	S	Bend	trans	58.7	36.8	-173.8	-160.7	37.6	0	0	0	112.3	Q33 R161	Q33-D37 WeakPolarHBondContact O-CA 3.42Å; Q33-D37 PolarHBondContact O-N 3.46Å; Q33-D37 VanDerWaalsContact OE1-CA 3.31Å; D37-R161 IonicContact OD1-CZ 3.82Å; D37-R161 IonicContact OD1-NE 3.11Å; D37-R161 IonicContact OD1-NH1 3.59Å; D37-R161 PolarHBondContact OD1-NH1 3.21Å
38	E	90.7	Very high	89	Confident	111 Å²	111	73.3 Å²	73.3	52%	0.519	37%	0.366	S	S	.	.			trans	-121.1	136.8	-180	-69.1	-178	175	0	0	111.4	L32 Q33 Y36	L32-E38 CarbonylContact C-O 3.58Å; Q33-E38 VanDerWaalsContact CA-O 3.27Å; Q33-E38 WeakPolarHBondContact CA-O 3.48Å; Q33-E38 PolarHBondContact N-O 2.85Å; Q33-E38 VanDerWaalsContact OE1-N 3.08Å; Y36-E38 PolarHBondContact O-N 3.48Å
39	F	90.8	Very high	88.8	Confident	74 Å²	74	75.7 Å²	75.7	33%	0.325	38%	0.377	S	S	.	.			trans	-118.7	113.4	168.1	177.7	-106	0	0	0	109.3	A29 E41 A158 K159	A29-F39 HydrophobicContact CB-CD2 4.24Å; A29-F39 HydrophobicContact CB-CE2 4.09Å; F39-E41 HydrophobicContact CD1-CG 4.06Å; F39-E41 HydrophobicContact CE1-CG 3.59Å; F39-A158 HydrophobicContact CD2-CB 4.09Å; F39-A158 HydrophobicContact CE2-CB 4.12Å; F39-K159 HydrophobicContact CD1-CB 4.34Å; F39-K159 HydrophobicContact CD1-CG 4.08Å; F39-K159 HydrophobicContact CD2-CB 4.41Å; F39-K159 HydrophobicContact CE1-CB 3.93Å; F39-K159 HydrophobicContact CE1-CD 4.16Å; F39-K159 HydrophobicContact CE1-CG 3.7Å; F39-K159 HydrophobicContact CE2-CB 4.04Å; F39-K159 HydrophobicContact CZ-CB 3.79Å; F39-K159 HydrophobicContact CZ-CD 4.45Å; F39-K159 HydrophobicContact CZ-CG 4.06Å
40	V	85.7	Confident	88.7	Confident	79 Å²	79	77.9 Å²	77.9	48%	0.479	39%	0.39	S	S	.	.			trans	-94.2	119.1	175.9	-176.2	0	0	0	0	108.2	D42	V40-D42 HydrophobicContact CG1-CB 4.4Å
41	E	81.8	Confident	88.6	Confident	147 Å²	147	80 Å²	80	69%	0.687	40%	0.399	S	S	*	.			trans	-71.7	-34.2	-179.7	-77.1	-170.5	166.7	0	0	112.6	F39 Y43	F39-E41 HydrophobicContact CD1-CG 4.06Å; F39-E41 HydrophobicContact CE1-CG 3.59Å; E41-Y43 PolarHBondContact O-N 2.93Å
42	D	82.2	Confident	88.6	Confident	138 Å²	138	87 Å²	87	74%	0.738	43%	0.425	S	S	*	.	S	Bend	trans	-71.6	125.6	179.2	-67.7	-34.6	0	0	0	110.7	V40	V40-D42 HydrophobicContact CG1-CB 4.4Å
43	Y	73	Confident	88.6	Confident	141 Å²	141	88.9 Å²	88.9	55%	0.553	43%	0.432	S	S	*	.			trans	-92.2	115.9	179.4	175.6	-106.3	0	0	0	111.2	G24 E41 P45	G24-Y43 PolarHBondContact N-OH 3.14Å; E41-Y43 PolarHBondContact O-N 2.93Å; Y43-P45 HydrophobicContact CE1-CG 3.95Å
44	E	79.1	Confident	88.6	Confident	165 Å²	165	94.2 Å²	94.2	77%	0.771	46%	0.455	S	S	*	.			trans	-110.6	129.8	165.5	-64.5	-166.7	153.1	0	0	110	T46	E44-T46 PolarHBondContact O-N 2.79Å
45	P	82.2	Confident	88.6	Confident	102 Å²	102	94.7 Å²	94.7	66%	0.662	46%	0.458	S	S	*	.			trans	-60.2	120.5	174.2	-25.3	34.4	0	0	0	112.5	Y43	Y43-P45 HydrophobicContact CE1-CG 3.95Å
46	T	80.8	Confident	88.7	Confident	27 Å²	27	98.8 Å²	98.8	17%	0.166	48%	0.483	C	S	.	.			trans	-72	143.1	178	-41.3	0	0	0	0	111.2	S28 E44 A70	S28-T46 PolarHBondContact OG-OG1 2.85Å; E44-T46 PolarHBondContact O-N 2.79Å; T46-A70 WeakPolarHBondContact O-CA 3.45Å; T46-A70 WeakPolarHBondContact O-CB 3.44Å
47	K	77.6	Confident	88.8	Confident	181 Å²	181	93 Å²	93	79%	0.787	46%	0.46	S	S	*	.			trans	-85.5	-73.7	167.5	-71.6	-177.9	179.2	176	0	110.3	A70	K47-A70 VanDerWaalsContact O-CB 3.3Å; K47-A70 WeakPolarHBondContact O-CB 3.38Å; K47-A70 PolarHBondContact O-N 3.07Å; K47-A70 VanDerWaalsContact O-N 3.1Å
48	A	80.6	Confident	88.9	Confident	28 Å²	28	91.9 Å²	91.9	23%	0.231	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	129.7	163.6	0	0	0	0	0	107.2	D68 Y82	A48-D68 CarbonylContact C-O 3.47Å; A48-D68 VanDerWaalsContact CA-O 3.23Å; A48-D68 WeakPolarHBondContact CA-O 3.45Å; A48-Y82 HydrophobicContact CB-CE2 4.34Å
49	D	90.1	Very high	89.1	Confident	78 Å²	78	90.1 Å²	90.1	42%	0.417	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.3	-178.5	-70.8	-68.4	0	0	0	110.3	Y51 D68	D49-Y51 HydrophobicContact CB-CD2 4.41Å; D49-Y51 HydrophobicContact CB-CE2 3.55Å; D49-D68 PolarHBondContact N-O 2.86Å; D49-D68 PolarHBondContact O-N 3.38Å
50	S	93.9	Very high	89.4	Confident	68 Å²	68	90.6 Å²	90.6	48%	0.476	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126	178.3	162.6	0	0	0	0	109.7	D65 I66	S50-D65 PolarHBondContact OG-OD1 3.22Å; S50-I66 CarbonylContact C-O 3.6Å; S50-I66 WeakPolarHBondContact CA-O 3.26Å
51	Y	96.4	Very high	90	Very high	45 Å²	45	91.4 Å²	91.4	18%	0.176	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.7	-179.7	-55.6	-94.9	0	0	0	109.7	T31 L32 M35 Y36 D49 D65 I66 D68	T31-Y51 HydrophobicContact CG2-CD2 3.56Å; T31-Y51 HydrophobicContact CG2-CE2 3.98Å; T31-Y51 HydrophobicContact CG2-CG 4.13Å; L32-Y51 HydrophobicContact CD2-CE1 3.83Å; M35-Y51 VanDerWaalsContact CE-C 3.5Å; Y36-Y51 AromaticContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CD1 3.86Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å; D49-Y51 HydrophobicContact CB-CD2 4.41Å; D49-Y51 HydrophobicContact CB-CE2 3.55Å; Y51-D65 WeakPolarHBondContact O-CA 3.44Å; Y51-I66 PolarHBondContact N-O 2.93Å; Y51-I66 PolarHBondContact O-N 3.34Å; Y51-D68 HydrophobicContact CD2-CB 4.5Å; Y51-D68 HydrophobicContact CE2-CB 4.11Å
52	R	97.5	Very high	90.7	Very high	148 Å²	148	84.5 Å²	84.5	56%	0.558	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.9	179.7	-71.3	-175.1	179.7	168.3	3.9	112.7	I64 D65	R52-I64 VanDerWaalsContact CA-O 3.31Å; R52-I64 WeakPolarHBondContact CA-O 3.35Å; R52-D65 HydrophobicContact CG-CB 3.81Å; R52-D65 IonicContact CZ-OD2 3.21Å; R52-D65 VanDerWaalsContact NE-CG 3.3Å; R52-D65 IonicContact NE-OD1 3.88Å; R52-D65 IonicContact NE-OD2 2.81Å; R52-D65 PolarHBondContact NE-OD2 3.09Å; R52-D65 IonicContact NH2-OD2 2.75Å; R52-D65 PolarHBondContact NH2-OD2 3.4Å
53	K	96	Very high	91.5	Very high	77 Å²	77	80.5 Å²	80.5	34%	0.335	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.1	179.7	177	171.8	179.8	175.7	0	110.2	F34 M35 V55 Q63 I64	F34-K53 PolarHBondContact O-NZ 3.05Å; M35-K53 HydrophobicContact CE-CB 3.31Å; M35-K53 HydrophobicContact CE-CD 4.4Å; M35-K53 HydrophobicContact CE-CG 4.5Å; M35-K53 PolarHBondContact O-NZ 3.07Å; M35-K53 HydrophobicContact SD-CB 3.76Å; M35-K53 HydrophobicContact SD-CD 4.01Å; K53-V55 HydrophobicContact CD-CG1 4.42Å; K53-V55 HydrophobicContact CG-CG1 4.07Å; K53-Q63 WeakPolarHBondContact O-CA 3.41Å; K53-I64 HydrophobicContact CB-CG2 4.44Å; K53-I64 PolarHBondContact N-O 3.01Å; K53-I64 VanDerWaalsContact N-O 3.13Å; K53-I64 PolarHBondContact O-N 2.95Å
54	K	97.8	Very high	92.7	Very high	123 Å²	123	73.8 Å²	73.8	54%	0.535	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133	168.2	-66.8	-179.7	176.3	-168	0	108.8	L12 E61 V62 Q63	L12-K54 HydrophobicContact CD1-CD 3.92Å; L12-K54 HydrophobicContact CD1-CG 4.04Å; K54-E61 WeakPolarHBondContact CD-OE1 3.36Å; K54-V62 WeakPolarHBondContact CA-O 2.91Å; K54-Q63 HydrophobicContact CG-CG 3.91Å
55	V	98	Very high	93.6	Very high	14 Å²	14	66.6 Å²	66.6	9%	0.085	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	162.2	177.9	-60.1	0	0	0	0	109.5	F34 K53 V62 I64 F169 M172	F34-V55 HydrophobicContact CZ-CG1 4.12Å; K53-V55 HydrophobicContact CD-CG1 4.42Å; K53-V55 HydrophobicContact CG-CG1 4.07Å; V55-V62 HydrophobicContact CG2-CG2 3.71Å; V55-V62 PolarHBondContact N-O 3.17Å; V55-V62 PolarHBondContact O-N 2.81Å; V55-V62 VanDerWaalsContact O-O 3.11Å; V55-I64 HydrophobicContact CG1-CG2 4.32Å; V55-F169 HydrophobicContact CB-CE1 4.06Å; V55-F169 HydrophobicContact CB-CZ 4.14Å; V55-F169 HydrophobicContact CG2-CE1 4.01Å; V55-M172 HydrophobicContact CG2-CE 3.69Å; V55-M172 HydrophobicContact CG2-SD 4.08Å
56	V	98.1	Very high	94.4	Very high	94 Å²	94	61.8 Å²	61.8	57%	0.57	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.3	172.2	179.5	0	0	0	0	108.1	E60 F169	V56-E60 CarbonylContact C-O 3.57Å; V56-E60 WeakPolarHBondContact CA-O 3.37Å; V56-F169 WeakPolarHBondContact O-CE1 3.48Å
57	L	98	Very high	95.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.7	175.7	177.3	68.8	0	0	0	109.2	G59 E60 V62 F169 M172 R173 R176	L57-G59 PolarHBondContact O-N 2.65Å; L57-E60 PolarHBondContact N-O 3.12Å; L57-E60 PolarHBondContact O-N 2.72Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; L57-F169 HydrophobicContact CD1-CD1 3.79Å; L57-M172 HydrophobicContact CD1-CB 4.41Å; L57-M172 HydrophobicContact CD2-CB 4.01Å; L57-M172 HydrophobicContact CD2-CE 4.47Å; L57-R173 HydrophobicContact CD1-CG 3.75Å; L57-R176 HydrophobicContact CD2-CB 4.48Å
58	D	96.2	Very high	95.9	Very high	90 Å²	90	53 Å²	53	48%	0.481	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	43.1	178.8	-46.5	-38.9	0	0	0	112.9	E60 R173 R176	D58-E60 VanDerWaalsContact C-N 3.35Å; D58-E60 PolarHBondContact O-N 2.92Å; D58-R173 IonicContact OD1-CZ 3.99Å; D58-R173 IonicContact OD1-NE 3.64Å; D58-R173 PolarHBondContact OD1-NE 3.19Å; D58-R173 IonicContact OD1-NH2 2.67Å; D58-R173 PolarHBondContact OD1-NH2 2.84Å; D58-R173 IonicContact OD2-NE 3.43Å; D58-R173 PolarHBondContact OD2-NE 2.75Å; D58-R176 IonicContact OD2-NH1 3.53Å; D58-R176 PolarHBondContact OD2-NH1 2.95Å
59	G	96.2	Very high	96.3	Very high	73 Å²	73	52 Å²	52	75%	0.753	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-3.2	179.7	0	0	0	0	0	115.7	L57	L57-G59 PolarHBondContact O-N 2.65Å
60	E	96.4	Very high	95.8	Very high	85 Å²	85	49.2 Å²	49.2	40%	0.397	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.3	178.2	-170.6	179.4	171.3	0	0	111.2	V56 L57 D58 V62 R176	V56-E60 CarbonylContact C-O 3.57Å; V56-E60 WeakPolarHBondContact CA-O 3.37Å; L57-E60 PolarHBondContact N-O 3.12Å; L57-E60 PolarHBondContact O-N 2.72Å; D58-E60 VanDerWaalsContact C-N 3.35Å; D58-E60 PolarHBondContact O-N 2.92Å; E60-V62 HydrophobicContact CG-CG1 4.21Å; E60-V62 PolarHBondContact O-N 3.12Å; E60-R176 IonicContact OE2-CZ 3.43Å; E60-R176 IonicContact OE2-NE 3.73Å; E60-R176 IonicContact OE2-NH2 3.89Å; E60-R176 PolarHBondContact OE2-NH2 3.32Å
61	E	97.8	Very high	94.5	Very high	96 Å²	96	47 Å²	47	45%	0.449	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.2	172.3	-166.2	-175.8	-148.5	0	0	109.7	L12 K54	L12-E61 HydrophobicContact CD1-CG 3.95Å; L12-E61 HydrophobicContact CD2-CB 4.18Å; L12-E61 HydrophobicContact CD2-CG 4.21Å; K54-E61 WeakPolarHBondContact CD-OE1 3.36Å
62	V	97.6	Very high	92.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.4	-179.5	-60.9	0	0	0	0	109.9	A13 K54 V55 L57 E60 M172	A13-V62 HydrophobicContact CB-CG1 4.22Å; K54-V62 WeakPolarHBondContact CA-O 2.91Å; V55-V62 HydrophobicContact CG2-CG2 3.71Å; V55-V62 PolarHBondContact N-O 3.17Å; V55-V62 PolarHBondContact O-N 2.81Å; V55-V62 VanDerWaalsContact O-O 3.11Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; E60-V62 HydrophobicContact CG-CG1 4.21Å; E60-V62 PolarHBondContact O-N 3.12Å; V62-M172 HydrophobicContact CG2-CE 3.45Å; V62-M172 VanDerWaalsContact CG2-CE 3.45Å
63	Q	98.2	Very high	91.1	Very high	55 Å²	55	47 Å²	47	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	142	170	-74.1	179.6	58.4	0	0	110.1	L12 A13 L14 H15 K53 K54	L12-Q63 HydrophobicContact CB-CG 4.18Å; L12-Q63 HydrophobicContact CD1-CG 4.05Å; A13-Q63 PolarHBondContact O-N 3.19Å; L14-Q63 CarbonylContact C-O 3.51Å; L14-Q63 WeakPolarHBondContact CA-O 3.34Å; L14-Q63 HydrophobicContact CD1-CB 3.72Å; H15-Q63 PolarHBondContact N-O 3.19Å; H15-Q63 PolarHBondContact ND1-O 3.42Å; K53-Q63 WeakPolarHBondContact O-CA 3.41Å; K54-Q63 HydrophobicContact CG-CG 3.91Å
64	I	98.6	Very high	89.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.2	164.9	-173.8	178.7	0	0	0	108.6	H15 V17 F34 R52 K53 V55 I66 F168 M172	H15-I64 WeakPolarHBondContact O-CA 3.4Å; V17-I64 HydrophobicContact CB-CD1 4.38Å; V17-I64 HydrophobicContact CG2-CD1 3.88Å; V17-I64 HydrophobicContact CG2-CG1 4.11Å; F34-I64 HydrophobicContact CE1-CD1 4.06Å; F34-I64 HydrophobicContact CE1-CG2 3.89Å; F34-I64 HydrophobicContact CZ-CG2 4.47Å; R52-I64 VanDerWaalsContact CA-O 3.31Å; R52-I64 WeakPolarHBondContact CA-O 3.35Å; K53-I64 HydrophobicContact CB-CG2 4.44Å; K53-I64 PolarHBondContact N-O 3.01Å; K53-I64 VanDerWaalsContact N-O 3.13Å; K53-I64 PolarHBondContact O-N 2.95Å; V55-I64 HydrophobicContact CG1-CG2 4.32Å; I64-I66 HydrophobicContact CD1-CD1 3.95Å; I64-I66 HydrophobicContact CD1-CG1 3.64Å; I64-I66 HydrophobicContact CG1-CG1 3.82Å; I64-F168 HydrophobicContact CD1-CB 4.44Å; I64-F168 HydrophobicContact CD1-CD1 3.88Å; I64-M172 HydrophobicContact CB-CE 3.96Å; I64-M172 HydrophobicContact CB-SD 3.93Å; I64-M172 HydrophobicContact CD1-CG 4.1Å; I64-M172 HydrophobicContact CD1-SD 3.75Å; I64-M172 HydrophobicContact CG1-SD 4.14Å
65	D	98.3	Very high	87.8	Confident	14 Å²	14	52.2 Å²	52.2	8%	0.075	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	107.1	171.4	-178.7	-4.6	0	0	0	107.3	L14 H15 K16 V17 S50 Y51 R52	L14-D65 HydrophobicContact CD1-CB 3.66Å; L14-D65 HydrophobicContact CG-CB 4.45Å; H15-D65 PolarHBondContact O-N 3.18Å; K16-D65 CarbonylContact C-O 3.55Å; K16-D65 WeakPolarHBondContact CA-O 3.42Å; K16-D65 HydrophobicContact CG-CB 4.4Å; V17-D65 PolarHBondContact N-O 3.06Å; S50-D65 PolarHBondContact OG-OD1 3.22Å; Y51-D65 WeakPolarHBondContact O-CA 3.44Å; R52-D65 HydrophobicContact CG-CB 3.81Å; R52-D65 IonicContact CZ-OD2 3.21Å; R52-D65 VanDerWaalsContact NE-CG 3.3Å; R52-D65 IonicContact NE-OD1 3.88Å; R52-D65 IonicContact NE-OD2 2.81Å; R52-D65 PolarHBondContact NE-OD2 3.09Å; R52-D65 IonicContact NH2-OD2 2.75Å; R52-D65 PolarHBondContact NH2-OD2 3.4Å
66	I	98.5	Very high	86.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.1	-179.6	-54.6	169.2	0	0	0	107.3	V17 M19 T31 F34 M35 S50 Y51 I64 F168	V17-I66 HydrophobicContact CB-CG1 4.49Å; V17-I66 CarbonylContact O-C 3.49Å; V17-I66 WeakPolarHBondContact O-CA 3.32Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 4.03Å; T31-I66 HydrophobicContact CG2-CB 4.22Å; T31-I66 HydrophobicContact CG2-CD1 4.26Å; T31-I66 HydrophobicContact CG2-CG2 3.8Å; F34-I66 HydrophobicContact CD1-CD1 3.62Å; F34-I66 HydrophobicContact CE1-CD1 4.02Å; M35-I66 HydrophobicContact CG-CD1 4.14Å; M35-I66 HydrophobicContact SD-CD1 3.72Å; S50-I66 CarbonylContact C-O 3.6Å; S50-I66 WeakPolarHBondContact CA-O 3.26Å; Y51-I66 PolarHBondContact N-O 2.93Å; Y51-I66 PolarHBondContact O-N 3.34Å; I64-I66 HydrophobicContact CD1-CD1 3.95Å; I64-I66 HydrophobicContact CD1-CG1 3.64Å; I64-I66 HydrophobicContact CG1-CG1 3.82Å; I66-F168 HydrophobicContact CD1-CD1 3.83Å; I66-F168 HydrophobicContact CD1-CE1 3.4Å; I66-F168 VanDerWaalsContact CD1-CE1 3.4Å; I66-F168 HydrophobicContact CD1-CZ 3.93Å; I66-F168 HydrophobicContact CG1-CD1 4.34Å; I66-F168 HydrophobicContact CG1-CE1 3.97Å; I66-F168 HydrophobicContact CG2-CE1 4.21Å
67	L	96.2	Very high	85.2	Confident	25 Å²	25	52.6 Å²	52.6	13%	0.131	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109.1	165	-172.7	70.5	0	0	0	108.6	V17 I18 M19 T69 Y82	V17-L67 PolarHBondContact O-N 2.97Å; I18-L67 HydrophobicContact CD1-CB 3.58Å; I18-L67 HydrophobicContact CD1-CD2 3.83Å; I18-L67 HydrophobicContact CD1-CG 4.35Å; I18-L67 HydrophobicContact CG2-CD2 4.47Å; M19-L67 PolarHBondContact N-O 2.81Å; L67-T69 HydrophobicContact CD2-CG2 4.19Å; L67-T69 HydrophobicContact CG-CG2 4.18Å; L67-Y82 HydrophobicContact CD2-CD1 3.5Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.5Å; L67-Y82 HydrophobicContact CD2-CD2 4.07Å; L67-Y82 HydrophobicContact CD2-CE1 4.11Å; L67-Y82 HydrophobicContact CD2-CG 3.48Å; L67-Y82 VanDerWaalsContact CD2-CG 3.48Å
68	D	93	Very high	84.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.1	169.6	-174.9	29.7	0	0	0	109.2	K27 S28 T31 A48 D49 Y51	K27-D68 WeakPolarHBondContact CB-OD1 3.37Å; S28-D68 WeakPolarHBondContact CA-OD2 3.49Å; S28-D68 WeakPolarHBondContact CB-OD2 3.29Å; S28-D68 PolarHBondContact OG-OD1 3.27Å; S28-D68 PolarHBondContact OG-OD2 3.01Å; T31-D68 HydrophobicContact CG2-CB 4.42Å; A48-D68 CarbonylContact C-O 3.47Å; A48-D68 VanDerWaalsContact CA-O 3.23Å; A48-D68 WeakPolarHBondContact CA-O 3.45Å; D49-D68 PolarHBondContact N-O 2.86Å; D49-D68 PolarHBondContact O-N 3.38Å; Y51-D68 HydrophobicContact CD2-CB 4.5Å; Y51-D68 HydrophobicContact CE2-CB 4.11Å
69	T	88.7	Confident	83.7	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	158.4	-172.4	78	0	0	0	0	111.5	I18 M19 K27 L67 E73 Y82	I18-T69 HydrophobicContact CG2-CG2 3.8Å; M19-T69 WeakPolarHBondContact O-CG2 3.39Å; M19-T69 PolarHBondContact O-OG1 3.39Å; K27-T69 WeakPolarHBondContact CE-O 3.44Å; L67-T69 HydrophobicContact CD2-CG2 4.19Å; L67-T69 HydrophobicContact CG-CG2 4.18Å; T69-E73 WeakPolarHBondContact CB-OE1 3.5Å; T69-Y82 HydrophobicContact CG2-CD2 4.24Å
70	A	81	Confident	83.4	Confident	18 Å²	18	52.6 Å²	52.6	15%	0.149	28%	0.276	C	S	.	.			trans	-62.4	149.2	166.9	0	0	0	0	0	109.9	T46 K47 Q72 E73	T46-A70 WeakPolarHBondContact O-CA 3.45Å; T46-A70 WeakPolarHBondContact O-CB 3.44Å; K47-A70 VanDerWaalsContact O-CB 3.3Å; K47-A70 WeakPolarHBondContact O-CB 3.38Å; K47-A70 PolarHBondContact O-N 3.07Å; K47-A70 VanDerWaalsContact O-N 3.1Å; A70-Q72 PolarHBondContact O-N 2.88Å; A70-E73 HydrophobicContact CB-CB 4.41Å; A70-E73 HydrophobicContact CB-CG 4Å; A70-E73 PolarHBondContact N-OE1 2.9Å
71	G	65.4	Low	83	Confident	23 Å²	23	53 Å²	53	24%	0.237	28%	0.28	C	S	.	.	S	Bend	trans	-76	-6.6	170.9	0	0	0	0	0	114.6
72	Q	64.1	Low	82.6	Confident	164 Å²	164	51.1 Å²	51.1	77%	0.766	27%	0.269	S	S	*	.			trans	-135	12.4	-163.1	-70.1	-164.8	-19.8	0	0	115.1	A70 D74	A70-Q72 PolarHBondContact O-N 2.88Å; Q72-D74 PolarHBondContact O-N 3.38Å
73	E	59.2	Low	82.5	Confident	27 Å²	27	51.2 Å²	51.2	13%	0.126	27%	0.27	C	S	.	.			trans	-67.2	104.7	-171.5	30.1	-154.7	155.3	0	0	112.8	T69 A70 Y75 R79	T69-E73 WeakPolarHBondContact CB-OE1 3.5Å; A70-E73 HydrophobicContact CB-CB 4.41Å; A70-E73 HydrophobicContact CB-CG 4Å; A70-E73 PolarHBondContact N-OE1 2.9Å; E73-Y75 PolarHBondContact O-N 2.85Å; E73-R79 HydrophobicContact CG-CG 3.86Å; E73-R79 PolarHBondContact O-NE 2.87Å
74	D	57.9	Low	82.3	Confident	149 Å²	149	55.1 Å²	55.1	80%	0.797	28%	0.282	S	S	*	.			trans	-55.7	-14.7	177.4	-69.4	-41.1	0	0	0	113	Q72 A76	Q72-D74 PolarHBondContact O-N 3.38Å; D74-A76 PolarHBondContact O-N 3.49Å
75	Y	65.7	Low	82	Confident	161 Å²	161	57.7 Å²	57.7	63%	0.631	30%	0.3	S	S	*	.			trans	-92	86.1	-178	-58.5	-78.1	0	0	0	111	E73 A77 I78 R79	E73-Y75 PolarHBondContact O-N 2.85Å; Y75-A77 PolarHBondContact O-N 3Å; Y75-A77 VanDerWaalsContact O-N 3.1Å; Y75-I78 HydrophobicContact CD2-CD1 4.27Å; Y75-I78 HydrophobicContact CG-CD1 4.02Å; Y75-I78 PolarHBondContact O-N 3.13Å; Y75-R79 PolarHBondContact O-N 2.67Å
76	A	68.9	Low	82	Confident	47 Å²	47	57 Å²	57	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-48.5	-38.4	174.2	0	0	0	0	0	112.9	D74 I78 R79 D80	D74-A76 PolarHBondContact O-N 3.49Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 2.81Å; A76-R79 PolarHBondContact O-N 2.66Å; A76-D80 PolarHBondContact O-N 2.84Å
77	A	74	Confident	82	Confident	70 Å²	70	60 Å²	60	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-64.4	-33.6	178.3	0	0	0	0	0	114	Y75 N81	Y75-A77 PolarHBondContact O-N 3Å; Y75-A77 VanDerWaalsContact O-N 3.1Å; A77-N81 PolarHBondContact O-N 2.9Å; A77-N81 PolarHBondContact O-ND2 3.29Å
78	I	78.6	Confident	82.1	Confident	65 Å²	65	58.8 Å²	58.8	33%	0.333	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-45.4	176.9	-67.5	178.5	0	0	0	109.4	Y75 A76 D80 N81 Y82	Y75-I78 HydrophobicContact CD2-CD1 4.27Å; Y75-I78 HydrophobicContact CG-CD1 4.02Å; Y75-I78 PolarHBondContact O-N 3.13Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 2.81Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 PolarHBondContact O-N 3.49Å; I78-N81 WeakPolarHBondContact O-CB 3.38Å; I78-N81 PolarHBondContact O-N 3.5Å; I78-N81 VanDerWaalsContact O-N 3.09Å; I78-Y82 HydrophobicContact CG2-CD2 4.23Å; I78-Y82 HydrophobicContact CG2-CE1 4.12Å; I78-Y82 HydrophobicContact CG2-CE2 3.45Å; I78-Y82 VanDerWaalsContact CG2-CE2 3.45Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.39Å; I78-Y82 PolarHBondContact O-N 3.01Å; I78-Y82 VanDerWaalsContact O-N 3.14Å
79	R	82.5	Confident	82.3	Confident	64 Å²	64	58.8 Å²	58.8	24%	0.242	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-43.9	174.8	-71.8	-170	-79	159.7	-3.2	112.2	E73 Y75 A76 N81 Y82 F83	E73-R79 HydrophobicContact CG-CG 3.86Å; E73-R79 PolarHBondContact O-NE 2.87Å; Y75-R79 PolarHBondContact O-N 2.67Å; A76-R79 PolarHBondContact O-N 2.66Å; R79-N81 PolarHBondContact O-N 2.81Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 3.37Å; R79-Y82 VanDerWaalsContact O-N 3.11Å; R79-F83 HydrophobicContact CB-CE2 4.37Å; R79-F83 HydrophobicContact CB-CZ 4.23Å; R79-F83 WeakPolarHBondContact O-CD1 3.31Å; R79-F83 VanDerWaalsContact O-CG 3.26Å; R79-F83 WeakPolarHBondContact O-CG 3.4Å; R79-F83 PolarHBondContact O-N 2.87Å
80	D	89.9	Confident	82.8	Confident	34 Å²	34	58.5 Å²	58.5	18%	0.182	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-34.5	177.3	-75.2	8.7	0	0	0	112	A76 I78 R84 Q110 R113 V114	A76-D80 PolarHBondContact O-N 2.84Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 PolarHBondContact O-N 3.49Å; D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.32Å; D80-R84 PolarHBondContact O-N 3.32Å; D80-Q110 PolarHBondContact OD1-NE2 3.16Å; D80-R113 IonicContact OD1-NH2 2.76Å; D80-R113 IonicContact OD2-NH2 3.74Å; D80-V114 HydrophobicContact CB-CG2 4.02Å; D80-V114 WeakPolarHBondContact O-CG1 3.49Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.41Å
81	N	89.1	Confident	83.6	Confident	93 Å²	93	57.6 Å²	57.6	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-68	-42.3	174.8	-70.5	-23.4	0	0	0	112.2	A77 I78 R79 R84 S85	A77-N81 PolarHBondContact O-N 2.9Å; A77-N81 PolarHBondContact O-ND2 3.29Å; I78-N81 WeakPolarHBondContact O-CB 3.38Å; I78-N81 PolarHBondContact O-N 3.5Å; I78-N81 VanDerWaalsContact O-N 3.09Å; R79-N81 PolarHBondContact O-N 2.81Å; N81-R84 PolarHBondContact O-N 3.38Å; N81-R84 PolarHBondContact OD1-NH1 3.43Å; N81-S85 PolarHBondContact O-N 3.38Å
82	Y	90.4	Very high	85.2	Confident	56 Å²	56	56.5 Å²	56.5	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-49.3	174.4	-59.6	-28.8	0	0	0	111	A48 L67 T69 I78 R79 R84 S85 G86	A48-Y82 HydrophobicContact CB-CE2 4.34Å; L67-Y82 HydrophobicContact CD2-CD1 3.5Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.5Å; L67-Y82 HydrophobicContact CD2-CD2 4.07Å; L67-Y82 HydrophobicContact CD2-CE1 4.11Å; L67-Y82 HydrophobicContact CD2-CG 3.48Å; L67-Y82 VanDerWaalsContact CD2-CG 3.48Å; T69-Y82 HydrophobicContact CG2-CD2 4.24Å; I78-Y82 HydrophobicContact CG2-CD2 4.23Å; I78-Y82 HydrophobicContact CG2-CE1 4.12Å; I78-Y82 HydrophobicContact CG2-CE2 3.45Å; I78-Y82 VanDerWaalsContact CG2-CE2 3.45Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.39Å; I78-Y82 PolarHBondContact O-N 3.01Å; I78-Y82 VanDerWaalsContact O-N 3.14Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 3.37Å; R79-Y82 VanDerWaalsContact O-N 3.11Å; Y82-R84 VanDerWaalsContact C-N 3.35Å; Y82-R84 PolarHBondContact O-N 3.49Å; Y82-S85 PolarHBondContact O-N 2.82Å; Y82-S85 PolarHBondContact O-OG 2.61Å; Y82-G86 PolarHBondContact O-N 3.15Å
83	F	93.7	Very high	86.9	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-39.9	-178.4	-61.9	-6.7	0	0	0	111.8	I18 V20 R79 S85 G86 F89 Q110 I111 V114 K115	I18-F83 HydrophobicContact CG2-CD1 4.48Å; V20-F83 HydrophobicContact CG1-CD1 4.46Å; V20-F83 HydrophobicContact CG1-CE1 3.55Å; V20-F83 HydrophobicContact CG1-CZ 4.04Å; R79-F83 HydrophobicContact CB-CE2 4.37Å; R79-F83 HydrophobicContact CB-CZ 4.23Å; R79-F83 WeakPolarHBondContact O-CD1 3.31Å; R79-F83 VanDerWaalsContact O-CG 3.26Å; R79-F83 WeakPolarHBondContact O-CG 3.4Å; R79-F83 PolarHBondContact O-N 2.87Å; F83-S85 PolarHBondContact O-N 2.78Å; F83-G86 PolarHBondContact O-N 3.42Å; F83-F89 HydrophobicContact CB-CE1 4.13Å; F83-F89 HydrophobicContact CB-CZ 4.22Å; F83-F89 AromaticContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CG-CE1 4.12Å; F83-F89 WeakPolarHBondContact O-CZ 3.31Å; F83-Q110 HydrophobicContact CD2-CG 4.04Å; F83-Q110 HydrophobicContact CE2-CB 4.08Å; F83-Q110 HydrophobicContact CE2-CG 3.69Å; F83-I111 HydrophobicContact CD1-CG1 4.3Å; F83-I111 HydrophobicContact CD2-CG1 3.78Å; F83-I111 HydrophobicContact CE1-CG1 4.38Å; F83-I111 HydrophobicContact CE2-CG1 3.83Å; F83-I111 HydrophobicContact CG-CG1 4.02Å; F83-I111 HydrophobicContact CZ-CG1 4.15Å; F83-V114 HydrophobicContact CB-CB 4.16Å; F83-V114 HydrophobicContact CB-CG1 3.84Å; F83-V114 HydrophobicContact CD2-CG2 4.42Å; F83-K115 WeakPolarHBondContact O-CE 3.38Å; F83-K115 PolarHBondContact O-NZ 2.85Å
84	R	94.6	Very high	88.8	Confident	137 Å²	137	47.4 Å²	47.4	52%	0.517	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-39	174.5	-165.9	175.1	-57.9	102.5	5.9	111.7	D80 N81 Y82 V114 K115	D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.32Å; D80-R84 PolarHBondContact O-N 3.32Å; N81-R84 PolarHBondContact O-N 3.38Å; N81-R84 PolarHBondContact OD1-NH1 3.43Å; Y82-R84 VanDerWaalsContact C-N 3.35Å; Y82-R84 PolarHBondContact O-N 3.49Å; R84-V114 HydrophobicContact CB-CG1 4.1Å; R84-K115 PolarHBondContact O-NZ 2.97Å
85	S	93.1	Very high	90.7	Very high	54 Å²	54	40.3 Å²	40.3	38%	0.378	20%	0.204	S	C	.	.	H	α-helix	trans	-81.7	-24.8	-177.5	79.8	0	0	0	0	115.5	K16 N81 Y82 F83	K16-S85 VanDerWaalsContact CD-O 3.32Å; K16-S85 WeakPolarHBondContact CD-O 3.42Å; N81-S85 PolarHBondContact O-N 3.38Å; Y82-S85 PolarHBondContact O-N 2.82Å; Y82-S85 PolarHBondContact O-OG 2.61Å; F83-S85 PolarHBondContact O-N 2.78Å
86	G	96.8	Very high	92.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	18%	0.179	C	C	.	.			trans	-66.9	150.6	-179.6	0	0	0	0	0	113	Y82 F83 K115	Y82-G86 PolarHBondContact O-N 3.15Å; F83-G86 PolarHBondContact O-N 3.42Å; G86-K115 WeakPolarHBondContact O-CE 3.48Å; G86-K115 PolarHBondContact O-NZ 2.96Å
87	E	98.4	Very high	93.7	Very high	61 Å²	61	34.3 Å²	34.3	29%	0.285	17%	0.174	S	C	.	.	S	Bend	trans	-109	-24.2	175.5	-65	172.8	140	0	0	111.8	H15 K16 P121 I175 K179	H15-E87 VanDerWaalsContact CA-OE2 3.31Å; H15-E87 WeakPolarHBondContact CA-OE2 3.32Å; K16-E87 HydrophobicContact CB-CB 4.4Å; K16-E87 HydrophobicContact CB-CG 4.1Å; K16-E87 PolarHBondContact N-OE2 3.11Å; K16-E87 WeakPolarHBondContact O-CA 3.2Å; K16-E87 PolarHBondContact O-N 3.14Å; E87-P121 WeakPolarHBondContact O-CD 3.49Å; E87-P121 WeakPolarHBondContact O-CG 3.45Å; E87-I175 HydrophobicContact CB-CD1 4.25Å; E87-I175 HydrophobicContact CB-CG1 4.3Å; E87-I175 HydrophobicContact CB-CG2 3.78Å; E87-K179 WeakPolarHBondContact OE1-CE 3.47Å; E87-K179 IonicContact OE1-NZ 2.92Å; E87-K179 PolarHBondContact OE1-NZ 3.08Å; E87-K179 WeakPolarHBondContact OE2-CE 3.35Å; E87-K179 IonicContact OE2-NZ 2.72Å; E87-K179 PolarHBondContact OE2-NZ 3.07Å
88	G	98.7	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.4	167.1	0	0	0	0	0	112.3	K16 V17 I18 P121	K16-G88 PolarHBondContact O-N 3.17Å; K16-G88 VanDerWaalsContact O-N 3.15Å; V17-G88 WeakPolarHBondContact CA-O 2.85Å; I18-G88 PolarHBondContact N-O 3.21Å; G88-P121 CarbonylContact C-O 3.38Å; G88-P121 WeakPolarHBondContact CA-O 3.46Å
89	F	98.6	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.8	-170.8	-61.2	-92.5	0	0	0	111.3	I18 V20 F83 I111 K115 V120 P121 F122 L123	I18-F89 HydrophobicContact CB-CD1 3.78Å; I18-F89 HydrophobicContact CB-CE1 3.9Å; I18-F89 HydrophobicContact CG1-CD1 4.19Å; I18-F89 HydrophobicContact CG1-CE1 3.84Å; I18-F89 HydrophobicContact CG1-CZ 4.48Å; I18-F89 HydrophobicContact CG2-CD1 4.44Å; I18-F89 HydrophobicContact CG2-CE1 4.44Å; I18-F89 WeakPolarHBondContact O-CA 3.41Å; V20-F89 HydrophobicContact CG1-CD1 4.36Å; F83-F89 HydrophobicContact CB-CE1 4.13Å; F83-F89 HydrophobicContact CB-CZ 4.22Å; F83-F89 AromaticContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CG-CE1 4.12Å; F83-F89 WeakPolarHBondContact O-CZ 3.31Å; F89-I111 HydrophobicContact CB-CD1 4.01Å; F89-I111 HydrophobicContact CD1-CD1 3.44Å; F89-I111 VanDerWaalsContact CD1-CD1 3.44Å; F89-I111 HydrophobicContact CD1-CG1 3.83Å; F89-I111 HydrophobicContact CD1-CG2 4.2Å; F89-I111 HydrophobicContact CD2-CG2 3.68Å; F89-I111 HydrophobicContact CE1-CD1 4.02Å; F89-I111 HydrophobicContact CE1-CG1 3.87Å; F89-I111 HydrophobicContact CE1-CG2 4.1Å; F89-I111 HydrophobicContact CE2-CG2 3.58Å; F89-I111 HydrophobicContact CG-CD1 3.72Å; F89-I111 HydrophobicContact CG-CG1 4.3Å; F89-I111 HydrophobicContact CG-CG2 4.01Å; F89-I111 HydrophobicContact CZ-CG1 4.37Å; F89-I111 HydrophobicContact CZ-CG2 3.79Å; F89-K115 HydrophobicContact CE2-CG 4.28Å; F89-K115 HydrophobicContact CZ-CG 4.46Å; F89-V120 HydrophobicContact CD2-CG2 4.06Å; F89-V120 HydrophobicContact CE2-CG2 3.78Å; F89-P121 PolarHBondContact N-O 3.09Å; F89-F122 HydrophobicContact CB-CD2 3.88Å; F89-F122 HydrophobicContact CB-CE2 4.43Å; F89-F122 WeakPolarHBondContact O-CA 3.38Å; F89-L123 PolarHBondContact O-N 3.41Å
90	L	98.8	Very high	96.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.8	164.2	-67.8	-175.9	0	0	0	107.8	V17 I18 M19 V20 V92 L123 V125 V167 F168 L171	V17-L90 HydrophobicContact CG1-CD1 4.28Å; V17-L90 HydrophobicContact CG1-CG 4.07Å; I18-L90 PolarHBondContact O-N 2.95Å; M19-L90 HydrophobicContact CE-CB 4.11Å; M19-L90 HydrophobicContact CE-CD1 4.05Å; M19-L90 HydrophobicContact SD-CB 3.83Å; M19-L90 HydrophobicContact SD-CD1 3.69Å; M19-L90 HydrophobicContact SD-CG 4.2Å; V20-L90 PolarHBondContact N-O 3.05Å; L90-V92 HydrophobicContact CB-CG2 4.41Å; L90-L123 HydrophobicContact CD2-CB 3.88Å; L90-L123 HydrophobicContact CD2-CD2 4.2Å; L90-L123 HydrophobicContact CD2-CG 4.46Å; L90-V125 HydrophobicContact CB-CG2 4.45Å; L90-V125 HydrophobicContact CD2-CG2 4.06Å; L90-V167 HydrophobicContact CD1-CG2 4.22Å; L90-V167 HydrophobicContact CD2-CB 4.25Å; L90-F168 HydrophobicContact CD1-CD1 3.64Å; L90-F168 HydrophobicContact CD1-CE1 3.45Å; L90-F168 VanDerWaalsContact CD1-CE1 3.45Å; L90-F168 HydrophobicContact CD1-CE2 4.39Å; L90-F168 HydrophobicContact CD1-CG 4.2Å; L90-F168 HydrophobicContact CD1-CZ 3.86Å; L90-L171 HydrophobicContact CD2-CB 4.02Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.37Å; L90-L171 HydrophobicContact CG-CD2 3.67Å
91	C	98.4	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	101.5	177.5	-169.8	0	0	0	0	109.5	V20 F122 L123 V125	V20-C91 HydrophobicContact CG2-CB 3.88Å; C91-F122 HydrophobicContact CB-CE1 3.75Å; C91-F122 HydrophobicContact CB-CE2 3.79Å; C91-F122 HydrophobicContact CB-CZ 3.22Å; C91-L123 PolarHBondContact N-O 3.2Å; C91-V125 PolarHBondContact O-N 3.44Å
92	V	98.8	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.9	-170.1	-168.8	0	0	0	0	110.6	M19 V20 G21 V25 K27 L30 L90 V125 N127	M19-V92 HydrophobicContact CE-CG2 3.76Å; V20-V92 PolarHBondContact O-N 3.28Å; G21-V92 VanDerWaalsContact CA-O 3.29Å; G21-V92 WeakPolarHBondContact CA-O 3.01Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 3.99Å; V25-V92 HydrophobicContact CG2-CG1 3.86Å; K27-V92 HydrophobicContact CG-CB 4.17Å; K27-V92 HydrophobicContact CG-CG2 4.28Å; L30-V92 HydrophobicContact CD1-CG1 3.92Å; L30-V92 HydrophobicContact CD1-CG2 4.14Å; L90-V92 HydrophobicContact CB-CG2 4.41Å; V92-V125 WeakPolarHBondContact CA-O 3.26Å; V92-V125 HydrophobicContact CG1-CG1 4.39Å; V92-V125 HydrophobicContact CG2-CB 4.21Å; V92-N127 HydrophobicContact CG1-CB 3.81Å
93	F	98.7	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	165.8	165.3	70.8	-85.3	0	0	0	109.6	I95 S100 F101 T104 L124 V125 G126 N127 V137 A142 Y153	F93-I95 HydrophobicContact CE2-CG2 4.13Å; F93-S100 WeakPolarHBondContact CB-O 3.33Å; F93-F101 HydrophobicContact CB-CB 4.34Å; F93-F101 AromaticContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD2-CB 3.66Å; F93-F101 AromaticContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CG 4.2Å; F93-F101 AromaticContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CE2 4.13Å; F93-F101 HydrophobicContact CE2-CB 4.13Å; F93-F101 AromaticContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CG 4.24Å; F93-F101 HydrophobicContact CG-CB 4.02Å; F93-F101 AromaticContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CG 4.49Å; F93-F101 AromaticContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CE2 4.12Å; F93-T104 HydrophobicContact CB-CG2 3.9Å; F93-T104 HydrophobicContact CD1-CG2 4.12Å; F93-T104 HydrophobicContact CG-CG2 4.36Å; F93-L124 HydrophobicContact CD1-CD1 3.87Å; F93-L124 HydrophobicContact CD1-CG 4.41Å; F93-L124 HydrophobicContact CE1-CD1 3.93Å; F93-L124 HydrophobicContact CE1-CD2 4.44Å; F93-L124 HydrophobicContact CE1-CG 3.98Å; F93-V125 WeakPolarHBondContact CD1-O 3.25Å; F93-V125 PolarHBondContact N-O 3.41Å; F93-G126 VanDerWaalsContact CZ-CA 3.47Å; F93-N127 PolarHBondContact O-N 2.8Å; F93-V137 HydrophobicContact CD2-CG2 4.38Å; F93-V137 HydrophobicContact CE2-CB 4Å; F93-V137 HydrophobicContact CE2-CG1 3.81Å; F93-V137 HydrophobicContact CE2-CG2 4.14Å; F93-V137 HydrophobicContact CZ-CG1 4.29Å; F93-A142 HydrophobicContact CE1-CB 4.49Å; F93-A142 HydrophobicContact CZ-CB 3.85Å; F93-Y153 AromaticContact CE1-CE2 3.8Å; F93-Y153 HydrophobicContact CE1-CE2 3.8Å; F93-Y153 AromaticContact CZ-CE2 3.77Å; F93-Y153 HydrophobicContact CZ-CE2 3.77Å
94	S	98.7	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.5	171	-178.3	0	0	0	0	109.6	T96 E97 S100 K128	S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.98Å; S94-T96 PolarHBondContact OG-OG1 2.98Å; S94-E97 PolarHBondContact O-N 3.11Å; S94-S100 PolarHBondContact N-OG 3.49Å; S94-S100 PolarHBondContact O-OG 2.93Å; S94-K128 WeakPolarHBondContact OG-CD 3.47Å; S94-K128 WeakPolarHBondContact OG-CE 3.15Å
95	I	98.9	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.3	175.7	65.7	155.8	0	0	0	112.6	F93 N127 K128 R135 Q136 V137	F93-I95 HydrophobicContact CE2-CG2 4.13Å; I95-N127 WeakPolarHBondContact CG1-O 3.34Å; I95-N127 PolarHBondContact N-O 2.84Å; I95-K128 WeakPolarHBondContact CG1-O 3.38Å; I95-R135 HydrophobicContact CD1-CB 4.31Å; I95-R135 HydrophobicContact CD1-CG 4.36Å; I95-R135 VanDerWaalsContact CD1-CZ 3.49Å; I95-Q136 PolarHBondContact O-N 2.94Å; I95-V137 PolarHBondContact O-N 2.9Å
96	T	98.8	Very high	98	Very high	17 Å²	17	28.7 Å²	28.7	10%	0.104	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.8	179.4	71.6	0	0	0	0	113.7	S94 K128 L131 K134 Q136	S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.98Å; S94-T96 PolarHBondContact OG-OG1 2.98Å; T96-K128 HydrophobicContact CG2-CB 4.49Å; T96-L131 HydrophobicContact CG2-CB 3.68Å; T96-L131 HydrophobicContact CG2-CD1 4.14Å; T96-K134 WeakPolarHBondContact CA-O 3.28Å; T96-K134 WeakPolarHBondContact CB-O 3.16Å; T96-K134 HydrophobicContact CG2-CB 3.85Å; T96-Q136 WeakPolarHBondContact O-CG 3.28Å; T96-Q136 PolarHBondContact O-NE2 3.45Å; T96-Q136 PolarHBondContact O-OE1 2.77Å
97	E	98.5	Very high	97.9	Very high	64 Å²	64	29.8 Å²	29.8	30%	0.299	16%	0.164	S	C	.	.			trans	-137.5	97.1	-173.3	-66.3	162.6	-136.6	0	0	110.3	S94 E99 S100 F101 K128	S94-E97 PolarHBondContact O-N 3.11Å; E97-E99 VanDerWaalsContact C-N 3.26Å; E97-E99 PolarHBondContact O-N 3.04Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.11Å; E97-S100 PolarHBondContact O-OG 3.4Å; E97-F101 PolarHBondContact O-N 2.95Å; E97-K128 IonicContact OE1-NZ 3.42Å; E97-K128 PolarHBondContact OE1-NZ 2.81Å
98	M	98.4	Very high	97.8	Very high	67 Å²	67	29 Å²	29	33%	0.33	16%	0.158	S	C	.	.	H	α-helix	trans	-57	-37.1	-178.5	-179.3	60.2	87.3	0	0	113.1	S100 F101 A102 Q136 V137 E141	M98-S100 VanDerWaalsContact C-N 3.3Å; M98-S100 PolarHBondContact O-N 3.29Å; M98-F101 WeakPolarHBondContact O-CB 3.3Å; M98-F101 PolarHBondContact O-N 3.1Å; M98-F101 VanDerWaalsContact O-N 3.14Å; M98-F101 HydrophobicContact SD-CD1 3.98Å; M98-A102 PolarHBondContact O-N 2.86Å; M98-Q136 HydrophobicContact CB-CB 4.42Å; M98-Q136 WeakPolarHBondContact CE-O 3.04Å; M98-Q136 VanDerWaalsContact N-OE1 3.1Å; M98-V137 HydrophobicContact CE-CG2 4.46Å; M98-V137 HydrophobicContact SD-CG2 4.02Å; M98-E141 WeakPolarHBondContact CE-OE1 3.44Å
99	E	98	Very high	97.7	Very high	168 Å²	168	35.1 Å²	35.1	79%	0.785	19%	0.187	S	C	*	.	H	α-helix	trans	-61.8	-38.1	177.6	-65.8	177.3	-176.2	0	0	112.3	E97 F101 A102 A103	E97-E99 VanDerWaalsContact C-N 3.26Å; E97-E99 PolarHBondContact O-N 3.04Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.35Å; E99-A102 PolarHBondContact O-N 3.49Å; E99-A103 WeakPolarHBondContact O-CB 3.42Å; E99-A103 PolarHBondContact O-N 3.21Å
100	S	97.9	Very high	97.4	Very high	3 Å²	3	36 Å²	36	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-34.8	176.8	79.2	0	0	0	0	111.8	F93 S94 E97 M98	F93-S100 WeakPolarHBondContact CB-O 3.33Å; S94-S100 PolarHBondContact N-OG 3.49Å; S94-S100 PolarHBondContact O-OG 2.93Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.11Å; E97-S100 PolarHBondContact O-OG 3.4Å; M98-S100 VanDerWaalsContact C-N 3.3Å; M98-S100 PolarHBondContact O-N 3.29Å
101	F	98.8	Very high	97.2	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-68.2	-49.7	172.4	176.8	-116.5	0	0	0	110.3	F93 E97 M98 E99 A103 T104 L124 V137 E141 A142 R145	F93-F101 HydrophobicContact CB-CB 4.34Å; F93-F101 AromaticContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD1-CD2 3.85Å; F93-F101 HydrophobicContact CD2-CB 3.66Å; F93-F101 AromaticContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CD2 3.89Å; F93-F101 HydrophobicContact CD2-CG 4.2Å; F93-F101 AromaticContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CD2 3.71Å; F93-F101 HydrophobicContact CE1-CE2 4.13Å; F93-F101 HydrophobicContact CE2-CB 4.13Å; F93-F101 AromaticContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CD2 3.77Å; F93-F101 HydrophobicContact CE2-CG 4.24Å; F93-F101 HydrophobicContact CG-CB 4.02Å; F93-F101 AromaticContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CD2 3.94Å; F93-F101 HydrophobicContact CG-CG 4.49Å; F93-F101 AromaticContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CD2 3.68Å; F93-F101 HydrophobicContact CZ-CE2 4.12Å; E97-F101 PolarHBondContact O-N 2.95Å; M98-F101 WeakPolarHBondContact O-CB 3.3Å; M98-F101 PolarHBondContact O-N 3.1Å; M98-F101 VanDerWaalsContact O-N 3.14Å; M98-F101 HydrophobicContact SD-CD1 3.98Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.35Å; F101-A103 VanDerWaalsContact C-N 3.26Å; F101-A103 PolarHBondContact O-N 3.03Å; F101-T104 WeakPolarHBondContact O-CB 3.26Å; F101-T104 WeakPolarHBondContact O-CG2 3.46Å; F101-T104 PolarHBondContact O-N 2.82Å; F101-T104 PolarHBondContact O-OG1 3.21Å; F101-L124 HydrophobicContact CE2-CD2 4.27Å; F101-V137 HydrophobicContact CB-CG1 4.25Å; F101-V137 HydrophobicContact CB-CG2 3.66Å; F101-V137 HydrophobicContact CD1-CG1 3.81Å; F101-V137 HydrophobicContact CD1-CG2 4.37Å; F101-V137 HydrophobicContact CD2-CG1 4.08Å; F101-V137 HydrophobicContact CE1-CG1 4.11Å; F101-V137 HydrophobicContact CE2-CG1 4.35Å; F101-V137 HydrophobicContact CG-CG1 3.79Å; F101-V137 HydrophobicContact CG-CG2 4.13Å; F101-V137 HydrophobicContact CZ-CG1 4.36Å; F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 VanDerWaalsContact CE1-OE1 3.23Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.39Å; F101-E141 HydrophobicContact CZ-CG 4.27Å; F101-A142 HydrophobicContact CE2-CB 3.92Å; F101-A142 HydrophobicContact CZ-CB 4.25Å; F101-R145 HydrophobicContact CE2-CB 4.43Å; F101-R145 HydrophobicContact CZ-CB 3.97Å; F101-R145 HydrophobicContact CZ-CG 4.47Å; F101-R145 PolarHBondContact O-NH1 3.27Å
102	A	98.4	Very high	97.2	Very high	51 Å²	51	36.7 Å²	36.7	42%	0.421	19%	0.194	S	C	.	.	H	α-helix	trans	-52.3	-44.4	177.6	0	0	0	0	0	112.4	M98 E99 T104 A105	M98-A102 PolarHBondContact O-N 2.86Å; E99-A102 PolarHBondContact O-N 3.49Å; A102-T104 PolarHBondContact O-N 3.07Å; A102-T104 VanDerWaalsContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 2.86Å
103	A	96.1	Very high	97.1	Very high	21 Å²	21	43.5 Å²	43.5	17%	0.174	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19	179.4	0	0	0	0	0	114.8	E99 F101 A105 D106 F107	E99-A103 WeakPolarHBondContact O-CB 3.42Å; E99-A103 PolarHBondContact O-N 3.21Å; F101-A103 VanDerWaalsContact C-N 3.26Å; F101-A103 PolarHBondContact O-N 3.03Å; A103-A105 PolarHBondContact O-N 3.31Å; A103-D106 PolarHBondContact O-N 3.42Å; A103-F107 HydrophobicContact CB-CE2 4.32Å; A103-F107 WeakPolarHBondContact O-CD2 3.5Å; A103-F107 PolarHBondContact O-N 2.83Å
104	T	97.3	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-28.9	177.8	60.2	0	0	0	0	112.9	F93 F101 A102 F107 R108 L124 R145	F93-T104 HydrophobicContact CB-CG2 3.9Å; F93-T104 HydrophobicContact CD1-CG2 4.12Å; F93-T104 HydrophobicContact CG-CG2 4.36Å; F101-T104 WeakPolarHBondContact O-CB 3.26Å; F101-T104 WeakPolarHBondContact O-CG2 3.46Å; F101-T104 PolarHBondContact O-N 2.82Å; F101-T104 PolarHBondContact O-OG1 3.21Å; A102-T104 PolarHBondContact O-N 3.07Å; A102-T104 VanDerWaalsContact O-N 3.12Å; T104-F107 PolarHBondContact O-N 2.89Å; T104-R108 WeakPolarHBondContact O-CB 3.42Å; T104-R108 PolarHBondContact O-N 3.48Å; T104-L124 HydrophobicContact CG2-CD1 3.92Å; T104-R145 PolarHBondContact OG1-NH1 3.49Å
105	A	97.6	Very high	96.7	Very high	39 Å²	39	47.1 Å²	47.1	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-45.3	177.1	0	0	0	0	0	111.7	A102 A103 F107 R108 E109 W149	A102-A105 PolarHBondContact O-N 2.86Å; A103-A105 PolarHBondContact O-N 3.31Å; A105-F107 PolarHBondContact O-N 2.84Å; A105-R108 PolarHBondContact O-N 2.93Å; A105-E109 PolarHBondContact O-N 3.35Å; A105-W149 HydrophobicContact CB-CH2 4.5Å; A105-W149 HydrophobicContact CB-CZ2 4.07Å
106	D	94.1	Very high	96.6	Very high	108 Å²	108	55.9 Å²	55.9	58%	0.578	28%	0.279	S	S	*	.	H	α-helix	trans	-65.1	-41.4	179.2	-59.2	-20.4	0	0	0	111.3	A103 E109 Q110	A103-D106 PolarHBondContact O-N 3.42Å; D106-E109 PolarHBondContact O-N 2.89Å; D106-Q110 WeakPolarHBondContact O-CB 3.19Å; D106-Q110 PolarHBondContact O-N 2.92Å
107	F	94.2	Very high	96.3	Very high	24 Å²	24	56.7 Å²	56.7	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-45.8	174.1	-75.5	-70	0	0	0	111.4	V20 G21 A103 T104 A105 Q110 I111	V20-F107 HydrophobicContact CB-CD1 3.99Å; V20-F107 HydrophobicContact CB-CE1 4.44Å; V20-F107 HydrophobicContact CB-CG 4.42Å; V20-F107 HydrophobicContact CG2-CB 4.26Å; V20-F107 HydrophobicContact CG2-CD1 4.45Å; V20-F107 HydrophobicContact CG2-CG 4.44Å; G21-F107 VanDerWaalsContact C-CE2 3.5Å; G21-F107 VanDerWaalsContact C-CZ 3.5Å; G21-F107 VanDerWaalsContact CA-CE2 3.46Å; A103-F107 HydrophobicContact CB-CE2 4.32Å; A103-F107 WeakPolarHBondContact O-CD2 3.5Å; A103-F107 PolarHBondContact O-N 2.83Å; T104-F107 PolarHBondContact O-N 2.89Å; A105-F107 PolarHBondContact O-N 2.84Å; F107-Q110 PolarHBondContact O-N 3.15Å; F107-I111 WeakPolarHBondContact O-CB 3.44Å; F107-I111 WeakPolarHBondContact O-CD1 3.37Å; F107-I111 VanDerWaalsContact O-CG1 3.25Å; F107-I111 WeakPolarHBondContact O-CG1 3.4Å; F107-I111 PolarHBondContact O-N 3.14Å
108	R	96.5	Very high	96.1	Very high	44 Å²	44	59.9 Å²	59.9	17%	0.166	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-50.4	177.5	-177.9	176.4	179.8	-80.4	-1.2	111	T104 A105 Q110 I111 L112 F122 W149	T104-R108 WeakPolarHBondContact O-CB 3.42Å; T104-R108 PolarHBondContact O-N 3.48Å; A105-R108 PolarHBondContact O-N 2.93Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.43Å; R108-I111 PolarHBondContact O-N 2.92Å; R108-L112 HydrophobicContact CG-CD1 3.97Å; R108-L112 HydrophobicContact CG-CG 4.21Å; R108-L112 VanDerWaalsContact CZ-CD1 3.49Å; R108-L112 VanDerWaalsContact NH1-CD1 3.29Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.96Å; R108-F122 HydrophobicContact CB-CE2 4.07Å; R108-F122 HydrophobicContact CB-CZ 3.9Å; R108-F122 HydrophobicContact CG-CE2 4.2Å; R108-F122 HydrophobicContact CG-CZ 4.16Å; R108-W149 HydrophobicContact CB-CH2 4.17Å; R108-W149 HydrophobicContact CB-CZ2 4.47Å; R108-W149 HydrophobicContact CB-CZ3 4.34Å; R108-W149 VanDerWaalsContact CD-CE2 3.49Å
109	E	95.4	Very high	95.8	Very high	130 Å²	130	62.1 Å²	62.1	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-57	-45.6	179.7	-173.9	-177.4	174	0	0	111.5	A105 D106 I111 L112 R113	A105-E109 PolarHBondContact O-N 3.35Å; D106-E109 PolarHBondContact O-N 2.89Å; E109-I111 PolarHBondContact O-N 3.1Å; E109-L112 PolarHBondContact O-N 2.96Å; E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 PolarHBondContact O-N 3.35Å
110	Q	93.3	Very high	95.8	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-43.1	178	-169.5	179.8	-2	0	0	112.1	D80 F83 D106 F107 R108 R113 V114	D80-Q110 PolarHBondContact OD1-NE2 3.16Å; F83-Q110 HydrophobicContact CD2-CG 4.04Å; F83-Q110 HydrophobicContact CE2-CB 4.08Å; F83-Q110 HydrophobicContact CE2-CG 3.69Å; D106-Q110 WeakPolarHBondContact O-CB 3.19Å; D106-Q110 PolarHBondContact O-N 2.92Å; F107-Q110 PolarHBondContact O-N 3.15Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.43Å; Q110-R113 PolarHBondContact O-N 2.95Å; Q110-V114 VanDerWaalsContact O-CG2 3.3Å; Q110-V114 WeakPolarHBondContact O-CG2 3.43Å; Q110-V114 PolarHBondContact O-N 3.25Å
111	I	95.5	Very high	95.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-50.8	177.5	-73.4	162.1	0	0	0	110.4	V20 F83 F89 F107 R108 E109 R113 V114 K115 V120 F122	V20-I111 HydrophobicContact CG1-CD1 4.3Å; V20-I111 HydrophobicContact CG2-CD1 3.91Å; F83-I111 HydrophobicContact CD1-CG1 4.3Å; F83-I111 HydrophobicContact CD2-CG1 3.78Å; F83-I111 HydrophobicContact CE1-CG1 4.38Å; F83-I111 HydrophobicContact CE2-CG1 3.83Å; F83-I111 HydrophobicContact CG-CG1 4.02Å; F83-I111 HydrophobicContact CZ-CG1 4.15Å; F89-I111 HydrophobicContact CB-CD1 4.01Å; F89-I111 HydrophobicContact CD1-CD1 3.44Å; F89-I111 VanDerWaalsContact CD1-CD1 3.44Å; F89-I111 HydrophobicContact CD1-CG1 3.83Å; F89-I111 HydrophobicContact CD1-CG2 4.2Å; F89-I111 HydrophobicContact CD2-CG2 3.68Å; F89-I111 HydrophobicContact CE1-CD1 4.02Å; F89-I111 HydrophobicContact CE1-CG1 3.87Å; F89-I111 HydrophobicContact CE1-CG2 4.1Å; F89-I111 HydrophobicContact CE2-CG2 3.58Å; F89-I111 HydrophobicContact CG-CD1 3.72Å; F89-I111 HydrophobicContact CG-CG1 4.3Å; F89-I111 HydrophobicContact CG-CG2 4.01Å; F89-I111 HydrophobicContact CZ-CG1 4.37Å; F89-I111 HydrophobicContact CZ-CG2 3.79Å; F107-I111 WeakPolarHBondContact O-CB 3.44Å; F107-I111 WeakPolarHBondContact O-CD1 3.37Å; F107-I111 VanDerWaalsContact O-CG1 3.25Å; F107-I111 WeakPolarHBondContact O-CG1 3.4Å; F107-I111 PolarHBondContact O-N 3.14Å; R108-I111 PolarHBondContact O-N 2.92Å; E109-I111 PolarHBondContact O-N 3.1Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.92Å; I111-V114 PolarHBondContact O-N 2.98Å; I111-K115 HydrophobicContact CG2-CG 4.16Å; I111-K115 VanDerWaalsContact O-CB 3.26Å; I111-K115 WeakPolarHBondContact O-CB 3.23Å; I111-K115 VanDerWaalsContact O-CG 3.28Å; I111-K115 WeakPolarHBondContact O-CG 3.3Å; I111-K115 PolarHBondContact O-N 3.33Å; I111-V120 HydrophobicContact CG2-CG1 4Å; I111-F122 HydrophobicContact CD1-CD2 4.33Å; I111-F122 HydrophobicContact CD1-CE2 3.9Å
112	L	97.5	Very high	95.8	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-42.1	-178.8	-66.4	-177.3	0	0	0	111.8	R108 E109 V114 K115 E116 D117 E118 V120	R108-L112 HydrophobicContact CG-CD1 3.97Å; R108-L112 HydrophobicContact CG-CG 4.21Å; R108-L112 VanDerWaalsContact CZ-CD1 3.49Å; R108-L112 VanDerWaalsContact NH1-CD1 3.29Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.96Å; E109-L112 PolarHBondContact O-N 2.96Å; L112-V114 PolarHBondContact O-N 3.04Å; L112-K115 PolarHBondContact O-N 3.25Å; L112-E116 WeakPolarHBondContact O-CA 3.36Å; L112-E116 PolarHBondContact O-N 2.93Å; L112-D117 VanDerWaalsContact CD2-O 3.25Å; L112-D117 WeakPolarHBondContact CD2-O 3.45Å; L112-E118 WeakPolarHBondContact CD1-OE2 3.17Å; L112-V120 HydrophobicContact CD2-CG1 3.79Å
113	R	95.6	Very high	95.9	Very high	144 Å²	144	52.8 Å²	52.8	54%	0.543	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-45.6	175.3	-174.4	-170.7	72.3	-146.7	3.7	112.3	D80 E109 Q110 I111 K115	D80-R113 IonicContact OD1-NH2 2.76Å; D80-R113 IonicContact OD2-NH2 3.74Å; E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 PolarHBondContact O-N 3.35Å; Q110-R113 PolarHBondContact O-N 2.95Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.92Å; R113-K115 VanDerWaalsContact C-N 3.34Å
114	V	95.2	Very high	96	Very high	23 Å²	23	51.8 Å²	51.8	14%	0.139	25%	0.251	C	S	.	.	H	α-helix	trans	-72.4	-31.4	-179.1	173.4	0	0	0	0	111.8	D80 F83 R84 Q110 I111 L112	D80-V114 HydrophobicContact CB-CG2 4.02Å; D80-V114 WeakPolarHBondContact O-CG1 3.49Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.41Å; F83-V114 HydrophobicContact CB-CB 4.16Å; F83-V114 HydrophobicContact CB-CG1 3.84Å; F83-V114 HydrophobicContact CD2-CG2 4.42Å; R84-V114 HydrophobicContact CB-CG1 4.1Å; Q110-V114 VanDerWaalsContact O-CG2 3.3Å; Q110-V114 WeakPolarHBondContact O-CG2 3.43Å; Q110-V114 PolarHBondContact O-N 3.25Å; I111-V114 PolarHBondContact O-N 2.98Å; L112-V114 PolarHBondContact O-N 3.04Å
115	K	95.6	Very high	96.1	Very high	53 Å²	53	51.8 Å²	51.8	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-81.7	-26.8	179.7	-74.5	-56.4	-153.6	-173	0	114.1	F83 R84 G86 F89 I111 L112 R113 D117 V120	F83-K115 WeakPolarHBondContact O-CE 3.38Å; F83-K115 PolarHBondContact O-NZ 2.85Å; R84-K115 PolarHBondContact O-NZ 2.97Å; G86-K115 WeakPolarHBondContact O-CE 3.48Å; G86-K115 PolarHBondContact O-NZ 2.96Å; F89-K115 HydrophobicContact CE2-CG 4.28Å; F89-K115 HydrophobicContact CZ-CG 4.46Å; I111-K115 HydrophobicContact CG2-CG 4.16Å; I111-K115 VanDerWaalsContact O-CB 3.26Å; I111-K115 WeakPolarHBondContact O-CB 3.23Å; I111-K115 VanDerWaalsContact O-CG 3.28Å; I111-K115 WeakPolarHBondContact O-CG 3.3Å; I111-K115 PolarHBondContact O-N 3.33Å; L112-K115 PolarHBondContact O-N 3.25Å; R113-K115 VanDerWaalsContact C-N 3.34Å; K115-D117 HydrophobicContact CB-CB 4.24Å; K115-D117 PolarHBondContact O-N 3.42Å; K115-V120 HydrophobicContact CD-CG2 4.47Å; K115-V120 HydrophobicContact CG-CB 4.42Å; K115-V120 HydrophobicContact CG-CG1 4.45Å; K115-V120 HydrophobicContact CG-CG2 4.1Å
116	E	95.8	Very high	96.1	Very high	183 Å²	183	50 Å²	50	86%	0.855	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.8	-170.2	-56.5	177.6	-172.2	0	0	111.3	L112	L112-E116 WeakPolarHBondContact O-CA 3.36Å; L112-E116 PolarHBondContact O-N 2.93Å
117	D	93.8	Very high	96.4	Very high	35 Å²	35	45 Å²	45	19%	0.187	21%	0.209	C	C	.	.			trans	-149	104.8	-174.2	179.2	19.9	0	0	0	111.4	L112 K115 N119 V120 R178	L112-D117 VanDerWaalsContact CD2-O 3.25Å; L112-D117 WeakPolarHBondContact CD2-O 3.45Å; K115-D117 HydrophobicContact CB-CB 4.24Å; K115-D117 PolarHBondContact O-N 3.42Å; D117-N119 PolarHBondContact O-N 3.41Å; D117-N119 PolarHBondContact OD1-N 3.18Å; D117-V120 PolarHBondContact O-N 3.47Å; D117-R178 IonicContact OD1-CZ 2.97Å; D117-R178 IonicContact OD1-NH1 2.67Å; D117-R178 PolarHBondContact OD1-NH1 3.14Å; D117-R178 VanDerWaalsContact OD1-NH1 3.11Å; D117-R178 IonicContact OD1-NH2 3.43Å; D117-R178 PolarHBondContact OD1-NH2 2.7Å; D117-R178 VanDerWaalsContact OD1-NH2 3.11Å; D117-R178 IonicContact OD2-CZ 3.46Å; D117-R178 IonicContact OD2-NH1 2.66Å; D117-R178 PolarHBondContact OD2-NH1 2.99Å; D117-R178 IonicContact OD2-NH2 2.77Å; D117-R178 PolarHBondContact OD2-NH2 3.47Å
118	E	93	Very high	96.6	Very high	130 Å²	130	45.9 Å²	45.9	61%	0.607	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.9	177.3	-68.3	-63.1	146.7	0	0	113.7	L112	L112-E118 WeakPolarHBondContact CD1-OE2 3.17Å
119	N	93	Very high	96.7	Very high	115 Å²	115	45.2 Å²	45.2	62%	0.615	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.9	25.3	-176	-57.7	-66.6	0	0	0	112.3	D117 R178	D117-N119 PolarHBondContact O-N 3.41Å; D117-N119 PolarHBondContact OD1-N 3.18Å; N119-R178 PolarHBondContact O-NH1 3.44Å
120	V	97.4	Very high	96.8	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.073	20%	0.2	C	C	.	.			trans	-62.7	136.1	174	66.1	0	0	0	0	109.8	F89 I111 L112 K115 D117 F122	F89-V120 HydrophobicContact CD2-CG2 4.06Å; F89-V120 HydrophobicContact CE2-CG2 3.78Å; I111-V120 HydrophobicContact CG2-CG1 4Å; L112-V120 HydrophobicContact CD2-CG1 3.79Å; K115-V120 HydrophobicContact CD-CG2 4.47Å; K115-V120 HydrophobicContact CG-CB 4.42Å; K115-V120 HydrophobicContact CG-CG1 4.45Å; K115-V120 HydrophobicContact CG-CG2 4.1Å; D117-V120 PolarHBondContact O-N 3.47Å; V120-F122 WeakPolarHBondContact O-CB 3.25Å; V120-F122 PolarHBondContact O-N 3.19Å; V120-F122 VanDerWaalsContact O-N 3.12Å
121	P	98.7	Very high	97	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.058	21%	0.207	C	C	.	.			trans	-50.8	119.4	176.2	-30.1	36	0	0	0	112.1	E87 G88 F89 L171 E174 I175 R178	E87-P121 WeakPolarHBondContact O-CD 3.49Å; E87-P121 WeakPolarHBondContact O-CG 3.45Å; G88-P121 CarbonylContact C-O 3.38Å; G88-P121 WeakPolarHBondContact CA-O 3.46Å; F89-P121 PolarHBondContact N-O 3.09Å; P121-L171 HydrophobicContact CB-CD1 3.85Å; P121-E174 HydrophobicContact CB-CB 3.84Å; P121-E174 HydrophobicContact CG-CB 4.29Å; P121-I175 HydrophobicContact CB-CG1 3.8Å; P121-I175 HydrophobicContact CG-CG1 4.01Å; P121-R178 HydrophobicContact CG-CB 4.18Å
122	F	98.8	Very high	97.2	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	128	-170.3	-175.2	-77.3	0	0	0	108.6	F89 C91 R108 I111 V120 W149 V151 E174	F89-F122 HydrophobicContact CB-CD2 3.88Å; F89-F122 HydrophobicContact CB-CE2 4.43Å; F89-F122 WeakPolarHBondContact O-CA 3.38Å; C91-F122 HydrophobicContact CB-CE1 3.75Å; C91-F122 HydrophobicContact CB-CE2 3.79Å; C91-F122 HydrophobicContact CB-CZ 3.22Å; R108-F122 HydrophobicContact CB-CE2 4.07Å; R108-F122 HydrophobicContact CB-CZ 3.9Å; R108-F122 HydrophobicContact CG-CE2 4.2Å; R108-F122 HydrophobicContact CG-CZ 4.16Å; I111-F122 HydrophobicContact CD1-CD2 4.33Å; I111-F122 HydrophobicContact CD1-CE2 3.9Å; V120-F122 WeakPolarHBondContact O-CB 3.25Å; V120-F122 PolarHBondContact O-N 3.19Å; V120-F122 VanDerWaalsContact O-N 3.12Å; F122-W149 HydrophobicContact CE1-CE3 4.03Å; F122-W149 AromaticContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CZ-CZ3 4.19Å; F122-V151 HydrophobicContact CB-CG1 4.2Å; F122-V151 HydrophobicContact CD1-CB 4.27Å; F122-V151 HydrophobicContact CD1-CG1 3.94Å; F122-V151 HydrophobicContact CD1-CG2 4.16Å; F122-V151 HydrophobicContact CG-CG1 4.48Å; F122-V151 WeakPolarHBondContact O-CB 3.47Å; F122-E174 PolarHBondContact N-OE2 3.01Å
123	L	98.9	Very high	97.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.1	179.8	-166.4	158.3	0	0	0	109.3	F89 L90 C91 V125 N152 V154 V167 D170 L171	F89-L123 PolarHBondContact O-N 3.41Å; L90-L123 HydrophobicContact CD2-CB 3.88Å; L90-L123 HydrophobicContact CD2-CD2 4.2Å; L90-L123 HydrophobicContact CD2-CG 4.46Å; C91-L123 PolarHBondContact N-O 3.2Å; L123-V125 HydrophobicContact CD2-CG2 3.39Å; L123-N152 HydrophobicContact CD1-CB 4.17Å; L123-N152 HydrophobicContact CG-CB 4Å; L123-V154 HydrophobicContact CD2-CB 4.31Å; L123-V154 HydrophobicContact CD2-CG2 4.21Å; L123-V167 HydrophobicContact CD2-CB 4.3Å; L123-V167 HydrophobicContact CD2-CG1 4Å; L123-D170 HydrophobicContact CD1-CB 3.91Å; L123-L171 HydrophobicContact CB-CD1 4.38Å
124	L	98.9	Very high	97.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.3	177.5	-177.8	63.5	0	0	0	109.6	F93 F101 T104 R145 A146 W149 V151 N152 Y153 V154	F93-L124 HydrophobicContact CD1-CD1 3.87Å; F93-L124 HydrophobicContact CD1-CG 4.41Å; F93-L124 HydrophobicContact CE1-CD1 3.93Å; F93-L124 HydrophobicContact CE1-CD2 4.44Å; F93-L124 HydrophobicContact CE1-CG 3.98Å; F101-L124 HydrophobicContact CE2-CD2 4.27Å; T104-L124 HydrophobicContact CG2-CD1 3.92Å; L124-R145 HydrophobicContact CD2-CG 4.45Å; L124-A146 HydrophobicContact CD2-CB 4.16Å; L124-W149 HydrophobicContact CD1-CZ3 4.22Å; L124-W149 HydrophobicContact CD2-CZ3 4.46Å; L124-V151 HydrophobicContact CB-CG2 4.47Å; L124-N152 PolarHBondContact N-O 2.66Å; L124-Y153 HydrophobicContact CB-CD2 4.29Å; L124-Y153 HydrophobicContact CD2-CD2 4.14Å; L124-Y153 HydrophobicContact CG-CD2 3.99Å; L124-Y153 WeakPolarHBondContact O-CA 3.42Å; L124-Y153 WeakPolarHBondContact O-CD2 3.48Å; L124-V154 PolarHBondContact O-N 2.96Å; L124-V154 VanDerWaalsContact O-N 3.11Å
125	V	99	Very high	97.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.7	-173.1	-177.8	0	0	0	0	110.7	L30 L90 C91 V92 F93 L123 V154 T156 V167	L30-V125 HydrophobicContact CD1-CG1 4.18Å; L90-V125 HydrophobicContact CB-CG2 4.45Å; L90-V125 HydrophobicContact CD2-CG2 4.06Å; C91-V125 PolarHBondContact O-N 3.44Å; V92-V125 WeakPolarHBondContact CA-O 3.26Å; V92-V125 HydrophobicContact CG1-CG1 4.39Å; V92-V125 HydrophobicContact CG2-CB 4.21Å; F93-V125 WeakPolarHBondContact CD1-O 3.25Å; F93-V125 PolarHBondContact N-O 3.41Å; L123-V125 HydrophobicContact CD2-CG2 3.39Å; V125-V154 WeakPolarHBondContact CA-O 3.45Å; V125-T156 HydrophobicContact CG1-CG2 3.75Å; V125-T156 VanDerWaalsContact CG1-OG1 3.26Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.29Å; V125-V167 HydrophobicContact CG1-CG1 4.42Å; V125-V167 HydrophobicContact CG2-CB 4.26Å; V125-V167 HydrophobicContact CG2-CG1 4.02Å
126	G	98.9	Very high	97.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	102.2	169.4	0	0	0	0	0	110.3	F93 V154 E155 T156	F93-G126 VanDerWaalsContact CZ-CA 3.47Å; G126-V154 PolarHBondContact N-O 2.72Å; G126-V154 VanDerWaalsContact N-O 3.08Å; G126-E155 CarbonylContact O-C 3.45Å; G126-E155 WeakPolarHBondContact O-CA 3.19Å; G126-T156 PolarHBondContact O-N 3.34Å
127	N	98.9	Very high	97.8	Very high	4 Å²	4	48 Å²	48	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	170.5	-179.8	-170.6	33.4	0	0	0	112.3	V25 L30 V92 F93 I95 T156 A158	V25-N127 PolarHBondContact O-ND2 2.92Å; L30-N127 HydrophobicContact CD1-CB 4.25Å; V92-N127 HydrophobicContact CG1-CB 3.81Å; F93-N127 PolarHBondContact O-N 2.8Å; I95-N127 WeakPolarHBondContact CG1-O 3.34Å; I95-N127 PolarHBondContact N-O 2.84Å; N127-T156 CarbonylContact C-O 3.54Å; N127-T156 VanDerWaalsContact CA-O 3.28Å; N127-T156 WeakPolarHBondContact CA-O 3.25Å; N127-T156 WeakPolarHBondContact CA-OG1 3.31Å; N127-T156 PolarHBondContact OD1-O 3.28Å; N127-T156 PolarHBondContact OD1-OG1 3.45Å; N127-A158 PolarHBondContact OD1-N 3.44Å
128	K	98.5	Very high	98.1	Very high	43 Å²	43	48.7 Å²	48.7	19%	0.187	24%	0.244	C	C	.	.			trans	67.8	35.1	-177	-45.5	-169.6	-160.5	168.6	0	113.2	G24 S94 I95 T96 E97 D130 L131 T156	G24-K128 WeakPolarHBondContact O-CE 3.44Å; G24-K128 PolarHBondContact O-NZ 3.41Å; S94-K128 WeakPolarHBondContact OG-CD 3.47Å; S94-K128 WeakPolarHBondContact OG-CE 3.15Å; I95-K128 WeakPolarHBondContact CG1-O 3.38Å; T96-K128 HydrophobicContact CG2-CB 4.49Å; E97-K128 IonicContact OE1-NZ 3.42Å; E97-K128 PolarHBondContact OE1-NZ 2.81Å; K128-D130 PolarHBondContact O-N 3.41Å; K128-D130 VanDerWaalsContact O-N 3.14Å; K128-L131 HydrophobicContact CB-CD1 4.14Å; K128-L131 HydrophobicContact CB-CG 4.41Å; K128-L131 HydrophobicContact CD-CD1 4.15Å; K128-L131 WeakPolarHBondContact O-CB 3.36Å; K128-L131 PolarHBondContact O-N 3.26Å; K128-T156 PolarHBondContact N-O 3.47Å
129	S	98.8	Very high	98.3	Very high	29 Å²	29	45 Å²	45	20%	0.203	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.2	176.6	66.1	0	0	0	0	114.6	L131 T156	S129-L131 PolarHBondContact O-N 3.24Å; S129-T156 WeakPolarHBondContact CB-O 3.43Å; S129-T156 PolarHBondContact N-O 3.03Å; S129-T156 VanDerWaalsContact OG-C 3.26Å; S129-T156 PolarHBondContact OG-O 3.25Å; S129-T156 VanDerWaalsContact OG-O 3.07Å
130	D	98.4	Very high	98.6	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.283	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.4	168.6	57.5	-71	0	0	0	113.6	K128 S157 K159 T160	K128-D130 PolarHBondContact O-N 3.41Å; K128-D130 VanDerWaalsContact O-N 3.14Å; D130-S157 WeakPolarHBondContact CB-OG 3.38Å; D130-S157 VanDerWaalsContact CG-OG 3.23Å; D130-S157 VanDerWaalsContact OD1-CB 3.31Å; D130-S157 WeakPolarHBondContact OD1-CB 3.37Å; D130-S157 PolarHBondContact OD1-OG 2.86Å; D130-K159 WeakPolarHBondContact OD2-CD 3.35Å; D130-T160 HydrophobicContact CB-CG2 3.93Å
131	L	98.1	Very high	98.7	Very high	47 Å²	47	49 Å²	49	25%	0.246	25%	0.245	C	C	.	.			trans	-101.3	45.4	179.4	-57.3	-178.6	0	0	0	111.9	T96 K128 S129 D133 K134 R135	T96-L131 HydrophobicContact CG2-CB 3.68Å; T96-L131 HydrophobicContact CG2-CD1 4.14Å; K128-L131 HydrophobicContact CB-CD1 4.14Å; K128-L131 HydrophobicContact CB-CG 4.41Å; K128-L131 HydrophobicContact CD-CD1 4.15Å; K128-L131 WeakPolarHBondContact O-CB 3.36Å; K128-L131 PolarHBondContact O-N 3.26Å; S129-L131 PolarHBondContact O-N 3.24Å; L131-D133 PolarHBondContact O-N 2.88Å; L131-K134 HydrophobicContact CB-CB 4.4Å; L131-K134 WeakPolarHBondContact O-CA 3.42Å; L131-K134 PolarHBondContact O-N 3.41Å; L131-R135 PolarHBondContact O-N 3.34Å
132	E	98.3	Very high	98.7	Very high	102 Å²	102	48.6 Å²	48.6	48%	0.477	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-57	-35.2	-176.5	-172	60.4	-151.2	0	0	112.8	K134 R135	E132-K134 PolarHBondContact O-N 2.99Å; E132-K134 VanDerWaalsContact O-N 3.15Å; E132-R135 VanDerWaalsContact CD-NE 3.25Å; E132-R135 VanDerWaalsContact O-CB 3.29Å; E132-R135 WeakPolarHBondContact O-CB 3.1Å; E132-R135 PolarHBondContact O-N 3.43Å; E132-R135 VanDerWaalsContact O-N 3.11Å; E132-R135 WeakPolarHBondContact OE1-CD 3.48Å; E132-R135 IonicContact OE1-CZ 3.37Å; E132-R135 IonicContact OE1-NE 2.92Å; E132-R135 PolarHBondContact OE1-NE 2.53Å; E132-R135 IonicContact OE1-NH2 2.89Å; E132-R135 IonicContact OE2-CZ 3.67Å; E132-R135 VanDerWaalsContact OE2-CZ 3.29Å; E132-R135 IonicContact OE2-NE 2.8Å; E132-R135 PolarHBondContact OE2-NE 2.95Å; E132-R135 IonicContact OE2-NH2 3.68Å; E132-R135 PolarHBondContact OE2-NH2 2.98Å
133	D	98.4	Very high	98.7	Very high	133 Å²	133	53.2 Å²	53.2	71%	0.711	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-62.1	-19.3	175.7	64.3	-51.3	0	0	0	113.5	L131	L131-D133 PolarHBondContact O-N 2.88Å
134	K	98.6	Very high	98.7	Very high	121 Å²	121	56.3 Å²	56.3	53%	0.526	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-109	8.8	179	-59.9	179.1	-176.4	175.8	0	113	T96 L131 E132 Q136	T96-K134 WeakPolarHBondContact CA-O 3.28Å; T96-K134 WeakPolarHBondContact CB-O 3.16Å; T96-K134 HydrophobicContact CG2-CB 3.85Å; L131-K134 HydrophobicContact CB-CB 4.4Å; L131-K134 WeakPolarHBondContact O-CA 3.42Å; L131-K134 PolarHBondContact O-N 3.41Å; E132-K134 PolarHBondContact O-N 2.99Å; E132-K134 VanDerWaalsContact O-N 3.15Å; K134-Q136 PolarHBondContact O-N 3.29Å
135	R	98.7	Very high	98.6	Very high	51 Å²	51	58.6 Å²	58.6	19%	0.192	29%	0.287	C	S	.	.			trans	-57.4	128.7	-179	180	-178.6	-70.4	-87.5	4.4	110.9	I95 L131 E132 V137 E155	I95-R135 HydrophobicContact CD1-CB 4.31Å; I95-R135 HydrophobicContact CD1-CG 4.36Å; I95-R135 VanDerWaalsContact CD1-CZ 3.49Å; L131-R135 PolarHBondContact O-N 3.34Å; E132-R135 VanDerWaalsContact CD-NE 3.25Å; E132-R135 VanDerWaalsContact O-CB 3.29Å; E132-R135 WeakPolarHBondContact O-CB 3.1Å; E132-R135 PolarHBondContact O-N 3.43Å; E132-R135 VanDerWaalsContact O-N 3.11Å; E132-R135 WeakPolarHBondContact OE1-CD 3.48Å; E132-R135 IonicContact OE1-CZ 3.37Å; E132-R135 IonicContact OE1-NE 2.92Å; E132-R135 PolarHBondContact OE1-NE 2.53Å; E132-R135 IonicContact OE1-NH2 2.89Å; E132-R135 IonicContact OE2-CZ 3.67Å; E132-R135 VanDerWaalsContact OE2-CZ 3.29Å; E132-R135 IonicContact OE2-NE 2.8Å; E132-R135 PolarHBondContact OE2-NE 2.95Å; E132-R135 IonicContact OE2-NH2 3.68Å; E132-R135 PolarHBondContact OE2-NH2 2.98Å; R135-V137 VanDerWaalsContact CD-O 3.28Å; R135-V137 WeakPolarHBondContact CD-O 3.42Å; R135-V137 WeakPolarHBondContact CG-O 3.2Å; R135-V137 PolarHBondContact NH1-O 2.85Å; R135-E155 IonicContact CZ-OE1 3.29Å; R135-E155 IonicContact CZ-OE2 3.5Å; R135-E155 IonicContact NH1-OE1 3.04Å; R135-E155 PolarHBondContact NH1-OE1 3.43Å; R135-E155 IonicContact NH1-OE2 2.75Å; R135-E155 IonicContact NH2-OE1 2.7Å; R135-E155 PolarHBondContact NH2-OE1 3.22Å; R135-E155 IonicContact NH2-OE2 3.39Å; R135-E155 PolarHBondContact NH2-OE2 2.99Å
136	Q	98.8	Very high	98.6	Very high	117 Å²	117	58.7 Å²	58.7	55%	0.547	29%	0.288	S	S	.	.			trans	-112.3	-27.3	171.5	-64.7	-175.2	-3.8	0	0	112	I95 T96 M98 K134	I95-Q136 PolarHBondContact O-N 2.94Å; T96-Q136 WeakPolarHBondContact O-CG 3.28Å; T96-Q136 PolarHBondContact O-NE2 3.45Å; T96-Q136 PolarHBondContact O-OE1 2.77Å; M98-Q136 HydrophobicContact CB-CB 4.42Å; M98-Q136 WeakPolarHBondContact CE-O 3.04Å; M98-Q136 VanDerWaalsContact N-OE1 3.1Å; K134-Q136 PolarHBondContact O-N 3.29Å
137	V	98.8	Very high	98.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-102.6	116.6	179.3	-173.8	0	0	0	0	109	F93 I95 M98 F101 R135 A142	F93-V137 HydrophobicContact CD2-CG2 4.38Å; F93-V137 HydrophobicContact CE2-CB 4Å; F93-V137 HydrophobicContact CE2-CG1 3.81Å; F93-V137 HydrophobicContact CE2-CG2 4.14Å; F93-V137 HydrophobicContact CZ-CG1 4.29Å; I95-V137 PolarHBondContact O-N 2.9Å; M98-V137 HydrophobicContact CE-CG2 4.46Å; M98-V137 HydrophobicContact SD-CG2 4.02Å; F101-V137 HydrophobicContact CB-CG1 4.25Å; F101-V137 HydrophobicContact CB-CG2 3.66Å; F101-V137 HydrophobicContact CD1-CG1 3.81Å; F101-V137 HydrophobicContact CD1-CG2 4.37Å; F101-V137 HydrophobicContact CD2-CG1 4.08Å; F101-V137 HydrophobicContact CE1-CG1 4.11Å; F101-V137 HydrophobicContact CE2-CG1 4.35Å; F101-V137 HydrophobicContact CG-CG1 3.79Å; F101-V137 HydrophobicContact CG-CG2 4.13Å; F101-V137 HydrophobicContact CZ-CG1 4.36Å; R135-V137 VanDerWaalsContact CD-O 3.28Å; R135-V137 WeakPolarHBondContact CD-O 3.42Å; R135-V137 WeakPolarHBondContact CG-O 3.2Å; R135-V137 PolarHBondContact NH1-O 2.85Å; V137-A142 HydrophobicContact CG1-CB 4.28Å
138	S	98.6	Very high	98.6	Very high	51 Å²	51	72.6 Å²	72.6	36%	0.357	35%	0.353	S	S	.	.			trans	-69.7	150.7	178.2	75.5	0	0	0	0	111.6	E140 E141 A142	S138-E140 PolarHBondContact O-N 2.75Å; S138-E141 PolarHBondContact O-N 3.21Å; S138-E141 VanDerWaalsContact OG-CB 3.25Å; S138-E141 WeakPolarHBondContact OG-CB 3.38Å; S138-E141 PolarHBondContact OG-N 2.92Å; S138-E141 VanDerWaalsContact OG-N 3.07Å; S138-A142 PolarHBondContact O-N 2.94Å
139	V	98.7	Very high	98.6	Very high	52 Å²	52	72.4 Å²	72.4	32%	0.315	35%	0.351	S	S	.	.	H	α-helix	trans	-57.3	-39.2	174.7	179.5	0	0	0	0	110.8	K143 Y153 E155	V139-K143 HydrophobicContact CG1-CD 3.93Å; V139-K143 HydrophobicContact CG1-CG 4.35Å; V139-K143 WeakPolarHBondContact O-CB 3.36Å; V139-K143 VanDerWaalsContact O-CG 3.25Å; V139-K143 WeakPolarHBondContact O-CG 3.39Å; V139-K143 PolarHBondContact O-N 3.12Å; V139-Y153 HydrophobicContact CG1-CE1 4.47Å; V139-E155 WeakPolarHBondContact CG2-OE1 3.31Å
140	E	98.6	Very high	98.5	Very high	138 Å²	138	77.7 Å²	77.7	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-65.7	-44.8	-179.6	-174	177.3	174.2	0	0	111.7	S138 A142 K143 N144	S138-E140 PolarHBondContact O-N 2.75Å; E140-A142 PolarHBondContact O-N 2.96Å; E140-K143 PolarHBondContact O-N 2.76Å; E140-N144 WeakPolarHBondContact O-CB 3.02Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.96Å
141	E	98.5	Very high	98.5	Very high	73 Å²	73	76.6 Å²	76.6	34%	0.341	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-43.9	178.9	-169.7	-178.8	144.8	0	0	112.1	M98 F101 S138 N144 R145	M98-E141 WeakPolarHBondContact CE-OE1 3.44Å; F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 VanDerWaalsContact CE1-OE1 3.23Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.39Å; F101-E141 HydrophobicContact CZ-CG 4.27Å; S138-E141 PolarHBondContact O-N 3.21Å; S138-E141 VanDerWaalsContact OG-CB 3.25Å; S138-E141 WeakPolarHBondContact OG-CB 3.38Å; S138-E141 PolarHBondContact OG-N 2.92Å; S138-E141 VanDerWaalsContact OG-N 3.07Å; E141-N144 PolarHBondContact O-N 3Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 VanDerWaalsContact O-N 3.15Å
142	A	98.8	Very high	98.5	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-68.5	-39	177.2	0	0	0	0	0	112.8	F93 F101 V137 S138 E140 R145 A146 Y153	F93-A142 HydrophobicContact CE1-CB 4.49Å; F93-A142 HydrophobicContact CZ-CB 3.85Å; F101-A142 HydrophobicContact CE2-CB 3.92Å; F101-A142 HydrophobicContact CZ-CB 4.25Å; V137-A142 HydrophobicContact CG1-CB 4.28Å; S138-A142 PolarHBondContact O-N 2.94Å; E140-A142 PolarHBondContact O-N 2.96Å; A142-R145 PolarHBondContact O-N 3.38Å; A142-A146 PolarHBondContact O-N 3.49Å; A142-A146 VanDerWaalsContact O-N 3.08Å; A142-Y153 HydrophobicContact CB-CD1 4.31Å; A142-Y153 HydrophobicContact CB-CD2 4.17Å; A142-Y153 HydrophobicContact CB-CE1 3.73Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.49Å; A142-Y153 WeakPolarHBondContact CB-OH 3.5Å
143	K	98.8	Very high	98.6	Very high	104 Å²	104	75.3 Å²	75.3	45%	0.452	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-47.3	173	-78.9	178.5	179	177.5	0	112	V139 E140 R145 A146 E147 Y153	V139-K143 HydrophobicContact CG1-CD 3.93Å; V139-K143 HydrophobicContact CG1-CG 4.35Å; V139-K143 WeakPolarHBondContact O-CB 3.36Å; V139-K143 VanDerWaalsContact O-CG 3.25Å; V139-K143 WeakPolarHBondContact O-CG 3.39Å; V139-K143 PolarHBondContact O-N 3.12Å; E140-K143 PolarHBondContact O-N 2.76Å; K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 PolarHBondContact O-N 3.43Å; K143-A146 PolarHBondContact O-N 2.99Å; K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 3.36Å; K143-Y153 HydrophobicContact CG-CD1 3.64Å; K143-Y153 HydrophobicContact CG-CE1 4.2Å
144	N	98.8	Very high	98.6	Very high	64 Å²	64	69.5 Å²	69.5	34%	0.342	34%	0.335	S	S	.	.	H	α-helix	trans	-57.7	-40.6	178.9	-72.7	-17.1	0	0	0	111.3	E140 E141 Q148	E140-N144 WeakPolarHBondContact O-CB 3.02Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.96Å; E141-N144 PolarHBondContact O-N 3Å; N144-Q148 WeakPolarHBondContact O-CB 3.32Å; N144-Q148 WeakPolarHBondContact O-CG 3.34Å; N144-Q148 PolarHBondContact O-N 2.89Å
145	R	98.7	Very high	98.6	Very high	48 Å²	48	65.3 Å²	65.3	18%	0.181	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-44.9	174.6	-177.9	173.2	-67.5	173.1	5.5	112.4	F101 T104 L124 E141 A142 K143 E147 Q148 W149	F101-R145 HydrophobicContact CE2-CB 4.43Å; F101-R145 HydrophobicContact CZ-CB 3.97Å; F101-R145 HydrophobicContact CZ-CG 4.47Å; F101-R145 PolarHBondContact O-NH1 3.27Å; T104-R145 PolarHBondContact OG1-NH1 3.49Å; L124-R145 HydrophobicContact CD2-CG 4.45Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 VanDerWaalsContact O-N 3.15Å; A142-R145 PolarHBondContact O-N 3.38Å; K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 PolarHBondContact O-N 3.43Å; R145-E147 VanDerWaalsContact C-N 3.33Å; R145-E147 PolarHBondContact O-N 3.46Å; R145-Q148 PolarHBondContact O-N 2.84Å; R145-W149 HydrophobicContact CG-CD2 3.82Å; R145-W149 HydrophobicContact CG-CE3 4.02Å; R145-W149 HydrophobicContact CG-CH2 3.94Å; R145-W149 HydrophobicContact CG-CZ2 3.69Å; R145-W149 HydrophobicContact CG-CZ3 4.09Å; R145-W149 WeakPolarHBondContact O-CB 3.27Å; R145-W149 VanDerWaalsContact O-CG 3.3Å; R145-W149 PolarHBondContact O-N 3.23Å
146	A	98.8	Very high	98.6	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-39.4	178.7	0	0	0	0	0	112.2	L124 A142 K143 W149 N150 V151	L124-A146 HydrophobicContact CD2-CB 4.16Å; A142-A146 PolarHBondContact O-N 3.49Å; A142-A146 VanDerWaalsContact O-N 3.08Å; K143-A146 PolarHBondContact O-N 2.99Å; A146-W149 CarbonylContact O-C 3.53Å; A146-W149 PolarHBondContact O-N 3.46Å; A146-N150 PolarHBondContact O-N 3.02Å; A146-V151 HydrophobicContact CB-CG2 4.06Å; A146-V151 WeakPolarHBondContact CB-O 3.09Å; A146-V151 PolarHBondContact O-N 3.46Å
147	E	98.6	Very high	98.6	Very high	139 Å²	139	57.3 Å²	57.3	65%	0.65	28%	0.283	S	S	*	.	H	α-helix	trans	-62.6	-45.6	173	-72.6	176.5	-169.3	0	0	111.9	K143 R145 W149 N150	K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 3.36Å; R145-E147 VanDerWaalsContact C-N 3.33Å; R145-E147 PolarHBondContact O-N 3.46Å; E147-W149 PolarHBondContact O-N 2.99Å; E147-N150 PolarHBondContact O-N 3.43Å
148	Q	98.3	Very high	98.6	Very high	156 Å²	156	57.4 Å²	57.4	73%	0.729	28%	0.284	S	S	*	.	H	α-helix	trans	-59.3	-35.1	174.8	-74	167.1	29.4	0	0	112.5	N144 R145 N150	N144-Q148 WeakPolarHBondContact O-CB 3.32Å; N144-Q148 WeakPolarHBondContact O-CG 3.34Å; N144-Q148 PolarHBondContact O-N 2.89Å; R145-Q148 PolarHBondContact O-N 2.84Å; Q148-N150 VanDerWaalsContact C-N 3.33Å
149	W	98.2	Very high	98.5	Very high	39 Å²	39	60 Å²	60	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-85.5	-6.5	177.6	-67.6	-6.3	0	0	0	113.7	A105 R108 F122 L124 R145 A146 E147 V151	A105-W149 HydrophobicContact CB-CH2 4.5Å; A105-W149 HydrophobicContact CB-CZ2 4.07Å; R108-W149 HydrophobicContact CB-CH2 4.17Å; R108-W149 HydrophobicContact CB-CZ2 4.47Å; R108-W149 HydrophobicContact CB-CZ3 4.34Å; R108-W149 VanDerWaalsContact CD-CE2 3.49Å; F122-W149 HydrophobicContact CE1-CE3 4.03Å; F122-W149 AromaticContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CE1-CZ3 3.97Å; F122-W149 HydrophobicContact CZ-CZ3 4.19Å; L124-W149 HydrophobicContact CD1-CZ3 4.22Å; L124-W149 HydrophobicContact CD2-CZ3 4.46Å; R145-W149 HydrophobicContact CG-CD2 3.82Å; R145-W149 HydrophobicContact CG-CE3 4.02Å; R145-W149 HydrophobicContact CG-CH2 3.94Å; R145-W149 HydrophobicContact CG-CZ2 3.69Å; R145-W149 HydrophobicContact CG-CZ3 4.09Å; R145-W149 WeakPolarHBondContact O-CB 3.27Å; R145-W149 VanDerWaalsContact O-CG 3.3Å; R145-W149 PolarHBondContact O-N 3.23Å; A146-W149 CarbonylContact O-C 3.53Å; A146-W149 PolarHBondContact O-N 3.46Å; E147-W149 PolarHBondContact O-N 2.99Å; W149-V151 VanDerWaalsContact C-N 3.31Å; W149-V151 HydrophobicContact CB-CG1 4.28Å; W149-V151 HydrophobicContact CB-CG2 3.86Å; W149-V151 HydrophobicContact CE3-CG2 4.29Å; W149-V151 PolarHBondContact O-N 2.77Å
150	N	97.7	Very high	98.5	Very high	141 Å²	141	61.7 Å²	61.7	75%	0.754	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	46.4	-172.3	-170.4	50.1	0	0	0	112.7	A146 E147 Q148	A146-N150 PolarHBondContact O-N 3.02Å; E147-N150 PolarHBondContact O-N 3.43Å; Q148-N150 VanDerWaalsContact C-N 3.33Å
151	V	98.6	Very high	98.5	Very high	30 Å²	30	58.3 Å²	58.3	18%	0.182	28%	0.28	C	S	.	.			trans	-127.2	163.5	178.6	-59.9	0	0	0	0	111.3	F122 L124 A146 W149	F122-V151 HydrophobicContact CB-CG1 4.2Å; F122-V151 HydrophobicContact CD1-CB 4.27Å; F122-V151 HydrophobicContact CD1-CG1 3.94Å; F122-V151 HydrophobicContact CD1-CG2 4.16Å; F122-V151 HydrophobicContact CG-CG1 4.48Å; F122-V151 WeakPolarHBondContact O-CB 3.47Å; L124-V151 HydrophobicContact CB-CG2 4.47Å; A146-V151 HydrophobicContact CB-CG2 4.06Å; A146-V151 WeakPolarHBondContact CB-O 3.09Å; A146-V151 PolarHBondContact O-N 3.46Å; W149-V151 VanDerWaalsContact C-N 3.31Å; W149-V151 HydrophobicContact CB-CG1 4.28Å; W149-V151 HydrophobicContact CB-CG2 3.86Å; W149-V151 HydrophobicContact CE3-CG2 4.29Å; W149-V151 PolarHBondContact O-N 2.77Å
152	N	98.2	Very high	98.5	Very high	84 Å²	84	56.5 Å²	56.5	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.5	174.4	-74.1	-49.5	0	0	0	111.8	L123 L124 E174	L123-N152 HydrophobicContact CD1-CB 4.17Å; L123-N152 HydrophobicContact CG-CB 4Å; L124-N152 PolarHBondContact N-O 2.66Å; N152-E174 PolarHBondContact ND2-OE1 3.27Å
153	Y	98.8	Very high	98.5	Very high	38 Å²	38	60.1 Å²	60.1	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.4	168.9	174.5	-120.1	0	0	0	111.1	F93 L124 V139 A142 K143 E155	F93-Y153 AromaticContact CE1-CE2 3.8Å; F93-Y153 HydrophobicContact CE1-CE2 3.8Å; F93-Y153 AromaticContact CZ-CE2 3.77Å; F93-Y153 HydrophobicContact CZ-CE2 3.77Å; L124-Y153 HydrophobicContact CB-CD2 4.29Å; L124-Y153 HydrophobicContact CD2-CD2 4.14Å; L124-Y153 HydrophobicContact CG-CD2 3.99Å; L124-Y153 WeakPolarHBondContact O-CA 3.42Å; L124-Y153 WeakPolarHBondContact O-CD2 3.48Å; V139-Y153 HydrophobicContact CG1-CE1 4.47Å; A142-Y153 HydrophobicContact CB-CD1 4.31Å; A142-Y153 HydrophobicContact CB-CD2 4.17Å; A142-Y153 HydrophobicContact CB-CE1 3.73Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.49Å; A142-Y153 WeakPolarHBondContact CB-OH 3.5Å; K143-Y153 HydrophobicContact CG-CD1 3.64Å; K143-Y153 HydrophobicContact CG-CE1 4.2Å; Y153-E155 HydrophobicContact CE1-CG 3.82Å; Y153-E155 HydrophobicContact CE2-CG 4.28Å; Y153-E155 VanDerWaalsContact CZ-CG 3.45Å; Y153-E155 VanDerWaalsContact OH-CD 3.29Å; Y153-E155 WeakPolarHBondContact OH-CG 3.45Å; Y153-E155 PolarHBondContact OH-OE1 2.97Å
154	V	98.9	Very high	98.5	Very high	10 Å²	10	55.2 Å²	55.2	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.5	175.3	-177.2	0	0	0	0	109.9	L123 L124 V125 G126 T156 N163 K166 V167	L123-V154 HydrophobicContact CD2-CB 4.31Å; L123-V154 HydrophobicContact CD2-CG2 4.21Å; L124-V154 PolarHBondContact O-N 2.96Å; L124-V154 VanDerWaalsContact O-N 3.11Å; V125-V154 WeakPolarHBondContact CA-O 3.45Å; G126-V154 PolarHBondContact N-O 2.72Å; G126-V154 VanDerWaalsContact N-O 3.08Å; V154-T156 HydrophobicContact CG1-CG2 4.35Å; V154-N163 HydrophobicContact CG1-CB 3.7Å; V154-K166 HydrophobicContact CG1-CD 4.22Å; V154-V167 HydrophobicContact CB-CG1 3.62Å; V154-V167 HydrophobicContact CG1-CG1 3.61Å; V154-V167 HydrophobicContact CG2-CG1 4.2Å
155	E	98.9	Very high	98.5	Very high	34 Å²	34	55 Å²	55	16%	0.159	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.4	168.6	-70.2	-169.7	173.8	0	0	111.3	G126 R135 V139 Y153 N163	G126-E155 CarbonylContact O-C 3.45Å; G126-E155 WeakPolarHBondContact O-CA 3.19Å; R135-E155 IonicContact CZ-OE1 3.29Å; R135-E155 IonicContact CZ-OE2 3.5Å; R135-E155 IonicContact NH1-OE1 3.04Å; R135-E155 PolarHBondContact NH1-OE1 3.43Å; R135-E155 IonicContact NH1-OE2 2.75Å; R135-E155 IonicContact NH2-OE1 2.7Å; R135-E155 PolarHBondContact NH2-OE1 3.22Å; R135-E155 IonicContact NH2-OE2 3.39Å; R135-E155 PolarHBondContact NH2-OE2 2.99Å; V139-E155 WeakPolarHBondContact CG2-OE1 3.31Å; Y153-E155 HydrophobicContact CE1-CG 3.82Å; Y153-E155 HydrophobicContact CE2-CG 4.28Å; Y153-E155 VanDerWaalsContact CZ-CG 3.45Å; Y153-E155 VanDerWaalsContact OH-CD 3.29Å; Y153-E155 WeakPolarHBondContact OH-CG 3.45Å; Y153-E155 PolarHBondContact OH-OE1 2.97Å; E155-N163 VanDerWaalsContact O-CB 3.28Å; E155-N163 WeakPolarHBondContact O-CB 3.49Å; E155-N163 PolarHBondContact O-ND2 2.91Å
156	T	98.9	Very high	98.5	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.			trans	-130.8	157.4	-177.2	57.7	0	0	0	0	111.2	V125 G126 N127 K128 S129 V154 A162 N163 V167	V125-T156 HydrophobicContact CG1-CG2 3.75Å; V125-T156 VanDerWaalsContact CG1-OG1 3.26Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.29Å; G126-T156 PolarHBondContact O-N 3.34Å; N127-T156 CarbonylContact C-O 3.54Å; N127-T156 VanDerWaalsContact CA-O 3.28Å; N127-T156 WeakPolarHBondContact CA-O 3.25Å; N127-T156 WeakPolarHBondContact CA-OG1 3.31Å; N127-T156 PolarHBondContact OD1-O 3.28Å; N127-T156 PolarHBondContact OD1-OG1 3.45Å; K128-T156 PolarHBondContact N-O 3.47Å; S129-T156 WeakPolarHBondContact CB-O 3.43Å; S129-T156 PolarHBondContact N-O 3.03Å; S129-T156 VanDerWaalsContact OG-C 3.26Å; S129-T156 PolarHBondContact OG-O 3.25Å; S129-T156 VanDerWaalsContact OG-O 3.07Å; V154-T156 HydrophobicContact CG1-CG2 4.35Å; T156-A162 VanDerWaalsContact CA-O 3.25Å; T156-A162 WeakPolarHBondContact CA-O 3.35Å; T156-N163 HydrophobicContact CG2-CB 3.93Å; T156-V167 HydrophobicContact CG2-CB 4.46Å; T156-V167 HydrophobicContact CG2-CG1 3.52Å; T156-V167 HydrophobicContact CG2-CG2 4.05Å
157	S	98.7	Very high	98.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.			trans	-131.2	113	161.4	169.9	0	0	0	0	108.1	D130 K159 T160 R161 A162	D130-S157 WeakPolarHBondContact CB-OG 3.38Å; D130-S157 VanDerWaalsContact CG-OG 3.23Å; D130-S157 VanDerWaalsContact OD1-CB 3.31Å; D130-S157 WeakPolarHBondContact OD1-CB 3.37Å; D130-S157 PolarHBondContact OD1-OG 2.86Å; S157-K159 PolarHBondContact O-N 3.47Å; S157-K159 PolarHBondContact OG-N 3.4Å; S157-T160 WeakPolarHBondContact CB-OG1 3.37Å; S157-T160 PolarHBondContact OG-N 2.91Å; S157-T160 PolarHBondContact OG-OG1 3.18Å; S157-R161 CarbonylContact O-C 3.54Å; S157-R161 VanDerWaalsContact O-CA 3.31Å; S157-R161 WeakPolarHBondContact O-CA 3.39Å; S157-R161 PolarHBondContact O-N 3.49Å; S157-A162 PolarHBondContact N-O 2.84Å; S157-A162 PolarHBondContact O-N 3.13Å
158	A	98.4	Very high	98.5	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.1	168.9	0	0	0	0	0	111.3	A29 L30 Q33 F39 N127	A29-A158 HydrophobicContact CB-CB 3.64Å; L30-A158 HydrophobicContact CD2-CB 3.91Å; L30-A158 HydrophobicContact CG-CB 4.17Å; Q33-A158 WeakPolarHBondContact CG-O 3.32Å; Q33-A158 PolarHBondContact NE2-O 2.92Å; F39-A158 HydrophobicContact CD2-CB 4.09Å; F39-A158 HydrophobicContact CE2-CB 4.12Å; N127-A158 PolarHBondContact OD1-N 3.44Å
159	K	97.6	Very high	98.5	Very high	104 Å²	104	44.9 Å²	44.9	45%	0.452	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-45.1	-178.5	-174	173.3	-171.9	171	0	113	F39 D130 S157	F39-K159 HydrophobicContact CD1-CB 4.34Å; F39-K159 HydrophobicContact CD1-CG 4.08Å; F39-K159 HydrophobicContact CD2-CB 4.41Å; F39-K159 HydrophobicContact CE1-CB 3.93Å; F39-K159 HydrophobicContact CE1-CD 4.16Å; F39-K159 HydrophobicContact CE1-CG 3.7Å; F39-K159 HydrophobicContact CE2-CB 4.04Å; F39-K159 HydrophobicContact CZ-CB 3.79Å; F39-K159 HydrophobicContact CZ-CD 4.45Å; F39-K159 HydrophobicContact CZ-CG 4.06Å; D130-K159 WeakPolarHBondContact OD2-CD 3.35Å; S157-K159 PolarHBondContact O-N 3.47Å; S157-K159 PolarHBondContact OG-N 3.4Å
160	T	98	Very high	98.6	Very high	89 Å²	89	44.7 Å²	44.7	55%	0.546	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	3	-176.8	66.3	0	0	0	0	113.5	D130 S157 A162	D130-T160 HydrophobicContact CB-CG2 3.93Å; S157-T160 WeakPolarHBondContact CB-OG1 3.37Å; S157-T160 PolarHBondContact OG-N 2.91Å; S157-T160 PolarHBondContact OG-OG1 3.18Å; T160-A162 PolarHBondContact O-N 3.32Å; T160-A162 VanDerWaalsContact O-N 3.16Å; T160-A162 WeakPolarHBondContact OG1-CB 3.29Å
161	R	97.9	Very high	98.6	Very high	66 Å²	66	38 Å²	38	25%	0.249	19%	0.193	C	C	.	.			trans	62.1	8.4	-171.2	-157.3	-177.2	-179	78.3	13.5	114.2	Q33 D37 S157 N163 V164 D165	Q33-R161 HydrophobicContact CG-CB 4.4Å; Q33-R161 HydrophobicContact CG-CG 4.07Å; Q33-R161 PolarHBondContact O-NH1 2.67Å; Q33-R161 PolarHBondContact O-NH2 2.95Å; D37-R161 IonicContact OD1-CZ 3.82Å; D37-R161 IonicContact OD1-NE 3.11Å; D37-R161 IonicContact OD1-NH1 3.59Å; D37-R161 PolarHBondContact OD1-NH1 3.21Å; S157-R161 CarbonylContact O-C 3.54Å; S157-R161 VanDerWaalsContact O-CA 3.31Å; S157-R161 WeakPolarHBondContact O-CA 3.39Å; S157-R161 PolarHBondContact O-N 3.49Å; R161-N163 PolarHBondContact O-N 3.11Å; R161-N163 VanDerWaalsContact O-N 3.12Å; R161-V164 HydrophobicContact CG-CB 4.17Å; R161-V164 HydrophobicContact CG-CG2 4.34Å; R161-V164 PolarHBondContact O-N 3.48Å; R161-D165 IonicContact CZ-OD1 3.06Å; R161-D165 IonicContact CZ-OD2 3.5Å; R161-D165 IonicContact NE-OD1 3.88Å; R161-D165 IonicContact NE-OD2 3.11Å; R161-D165 PolarHBondContact NE-OD2 2.97Å; R161-D165 IonicContact NH2-OD1 2.98Å; R161-D165 PolarHBondContact NH2-OD1 2.86Å; R161-D165 IonicContact NH2-OD2 2.77Å; R161-D165 PolarHBondContact NH2-OD2 2.81Å
162	A	98.8	Very high	98.6	Very high	35 Å²	35	36.5 Å²	36.5	29%	0.289	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	121.8	179.9	0	0	0	0	0	110.9	T156 S157 T160 V164	T156-A162 VanDerWaalsContact CA-O 3.25Å; T156-A162 WeakPolarHBondContact CA-O 3.35Å; S157-A162 PolarHBondContact N-O 2.84Å; S157-A162 PolarHBondContact O-N 3.13Å; T160-A162 PolarHBondContact O-N 3.32Å; T160-A162 VanDerWaalsContact O-N 3.16Å; T160-A162 WeakPolarHBondContact OG1-CB 3.29Å; A162-V164 PolarHBondContact O-N 2.92Å
163	N	98.8	Very high	98.6	Very high	77 Å²	77	37.1 Å²	37.1	41%	0.412	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	13.3	179.3	-61.2	-42	0	0	0	116.4	V154 E155 T156 R161 K166 V167	V154-N163 HydrophobicContact CG1-CB 3.7Å; E155-N163 VanDerWaalsContact O-CB 3.28Å; E155-N163 WeakPolarHBondContact O-CB 3.49Å; E155-N163 PolarHBondContact O-ND2 2.91Å; T156-N163 HydrophobicContact CG2-CB 3.93Å; R161-N163 PolarHBondContact O-N 3.11Å; R161-N163 VanDerWaalsContact O-N 3.12Å; N163-K166 HydrophobicContact CB-CB 4.22Å; N163-K166 HydrophobicContact CB-CD 4.47Å; N163-K166 WeakPolarHBondContact O-CB 3.21Å; N163-K166 PolarHBondContact O-N 3.02Å; N163-V167 PolarHBondContact O-N 2.95Å; N163-V167 VanDerWaalsContact O-N 3.13Å
164	V	98.8	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-53.8	179.6	173.8	0	0	0	0	110.6	L30 Q33 F34 R161 A162 K166 V167 F168	L30-V164 HydrophobicContact CD2-CG2 3.79Å; Q33-V164 HydrophobicContact CB-CG1 4.25Å; Q33-V164 HydrophobicContact CG-CG1 4.12Å; Q33-V164 HydrophobicContact CG-CG2 4.13Å; F34-V164 HydrophobicContact CB-CG1 3.84Å; R161-V164 HydrophobicContact CG-CB 4.17Å; R161-V164 HydrophobicContact CG-CG2 4.34Å; R161-V164 PolarHBondContact O-N 3.48Å; A162-V164 PolarHBondContact O-N 2.92Å; V164-K166 VanDerWaalsContact C-N 3.26Å; V164-K166 PolarHBondContact O-N 3.19Å; V164-V167 WeakPolarHBondContact O-CG2 3.5Å; V164-V167 PolarHBondContact O-N 3.02Å; V164-F168 HydrophobicContact CG1-CD2 4.48Å; V164-F168 HydrophobicContact CG1-CE2 4.33Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.48Å
165	D	98.6	Very high	98.6	Very high	60 Å²	60	37.2 Å²	37.2	32%	0.321	18%	0.181	S	C	.	.	H	α-helix	trans	-62.4	-38.6	178.2	-62.9	-34.4	0	0	0	111.2	F34 R161 V167 F168 F169	F34-D165 WeakPolarHBondContact CD2-OD1 3.31Å; R161-D165 IonicContact CZ-OD1 3.06Å; R161-D165 IonicContact CZ-OD2 3.5Å; R161-D165 IonicContact NE-OD1 3.88Å; R161-D165 IonicContact NE-OD2 3.11Å; R161-D165 PolarHBondContact NE-OD2 2.97Å; R161-D165 IonicContact NH2-OD1 2.98Å; R161-D165 PolarHBondContact NH2-OD1 2.86Å; R161-D165 IonicContact NH2-OD2 2.77Å; R161-D165 PolarHBondContact NH2-OD2 2.81Å; D165-V167 PolarHBondContact O-N 3.25Å; D165-F168 PolarHBondContact O-N 3.17Å; D165-F169 HydrophobicContact CB-CD2 4.08Å; D165-F169 HydrophobicContact CB-CE2 4.17Å; D165-F169 WeakPolarHBondContact O-CD2 3.46Å; D165-F169 PolarHBondContact O-N 3.12Å
166	K	98.8	Very high	98.6	Very high	89 Å²	89	38.2 Å²	38.2	39%	0.387	18%	0.184	S	C	.	.	H	α-helix	trans	-56.2	-49.7	-178.3	-175.5	-178	-175.1	-58.6	0	111.8	V154 N163 V164 F168 F169 D170	V154-K166 HydrophobicContact CG1-CD 4.22Å; N163-K166 HydrophobicContact CB-CB 4.22Å; N163-K166 HydrophobicContact CB-CD 4.47Å; N163-K166 WeakPolarHBondContact O-CB 3.21Å; N163-K166 PolarHBondContact O-N 3.02Å; V164-K166 VanDerWaalsContact C-N 3.26Å; V164-K166 PolarHBondContact O-N 3.19Å; K166-F168 PolarHBondContact O-N 3.31Å; K166-F169 PolarHBondContact O-N 3.16Å; K166-D170 VanDerWaalsContact CG-OD2 3.31Å; K166-D170 WeakPolarHBondContact CG-OD2 3.25Å; K166-D170 IonicContact NZ-OD2 2.87Å; K166-D170 PolarHBondContact NZ-OD2 3.27Å; K166-D170 VanDerWaalsContact O-CB 3.25Å; K166-D170 WeakPolarHBondContact O-CB 3.28Å; K166-D170 PolarHBondContact O-N 3.3Å
167	V	98.9	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-38.8	-176.7	-65.9	0	0	0	0	112.8	L90 L123 V125 V154 T156 N163 V164 D165 L171	L90-V167 HydrophobicContact CD1-CG2 4.22Å; L90-V167 HydrophobicContact CD2-CB 4.25Å; L123-V167 HydrophobicContact CD2-CB 4.3Å; L123-V167 HydrophobicContact CD2-CG1 4Å; V125-V167 HydrophobicContact CG1-CG1 4.42Å; V125-V167 HydrophobicContact CG2-CB 4.26Å; V125-V167 HydrophobicContact CG2-CG1 4.02Å; V154-V167 HydrophobicContact CB-CG1 3.62Å; V154-V167 HydrophobicContact CG1-CG1 3.61Å; V154-V167 HydrophobicContact CG2-CG1 4.2Å; T156-V167 HydrophobicContact CG2-CB 4.46Å; T156-V167 HydrophobicContact CG2-CG1 3.52Å; T156-V167 HydrophobicContact CG2-CG2 4.05Å; N163-V167 PolarHBondContact O-N 2.95Å; N163-V167 VanDerWaalsContact O-N 3.13Å; V164-V167 WeakPolarHBondContact O-CG2 3.5Å; V164-V167 PolarHBondContact O-N 3.02Å; D165-V167 PolarHBondContact O-N 3.25Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 2.98Å
168	F	98.9	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69	-47.7	176.7	-73.5	-73.6	0	0	0	111.4	V17 M19 F34 I64 I66 L90 V164 D165 K166 M172	V17-F168 HydrophobicContact CG1-CD1 4.5Å; V17-F168 HydrophobicContact CG1-CE1 4.41Å; M19-F168 HydrophobicContact CE-CZ 4.17Å; M19-F168 HydrophobicContact SD-CE1 3.8Å; M19-F168 HydrophobicContact SD-CZ 3.93Å; F34-F168 HydrophobicContact CB-CD2 3.55Å; F34-F168 HydrophobicContact CB-CE2 3.41Å; F34-F168 VanDerWaalsContact CB-CE2 3.41Å; F34-F168 HydrophobicContact CB-CG 4.45Å; F34-F168 HydrophobicContact CB-CZ 4.2Å; F34-F168 HydrophobicContact CD1-CB 4.43Å; F34-F168 HydrophobicContact CD1-CD1 4.31Å; F34-F168 AromaticContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CD2 3.89Å; F34-F168 HydrophobicContact CD1-CE2 4.21Å; F34-F168 AromaticContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD1-CG 3.95Å; F34-F168 HydrophobicContact CD2-CB 4Å; F34-F168 AromaticContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CD2 3.54Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 AromaticContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CE1-CB 4.19Å; F34-F168 HydrophobicContact CE1-CD1 4.48Å; F34-F168 HydrophobicContact CE1-CD2 4.48Å; F34-F168 HydrophobicContact CE1-CG 4.14Å; F34-F168 HydrophobicContact CE2-CB 3.73Å; F34-F168 HydrophobicContact CE2-CD2 4.18Å; F34-F168 HydrophobicContact CE2-CG 4.16Å; F34-F168 HydrophobicContact CG-CB 4.34Å; F34-F168 AromaticContact CG-CD2 3.36Å; F34-F168 HydrophobicContact CG-CD2 3.36Å; F34-F168 AromaticContact CG-CE2 3.74Å; F34-F168 HydrophobicContact CG-CE2 3.74Å; F34-F168 AromaticContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CG 3.85Å; F34-F168 HydrophobicContact CG-CZ 4.48Å; F34-F168 HydrophobicContact CZ-CB 3.82Å; F34-F168 HydrophobicContact CZ-CG 4.23Å; I64-F168 HydrophobicContact CD1-CB 4.44Å; I64-F168 HydrophobicContact CD1-CD1 3.88Å; I66-F168 HydrophobicContact CD1-CD1 3.83Å; I66-F168 HydrophobicContact CD1-CE1 3.4Å; I66-F168 VanDerWaalsContact CD1-CE1 3.4Å; I66-F168 HydrophobicContact CD1-CZ 3.93Å; I66-F168 HydrophobicContact CG1-CD1 4.34Å; I66-F168 HydrophobicContact CG1-CE1 3.97Å; I66-F168 HydrophobicContact CG2-CE1 4.21Å; L90-F168 HydrophobicContact CD1-CD1 3.64Å; L90-F168 HydrophobicContact CD1-CE1 3.45Å; L90-F168 VanDerWaalsContact CD1-CE1 3.45Å; L90-F168 HydrophobicContact CD1-CE2 4.39Å; L90-F168 HydrophobicContact CD1-CG 4.2Å; L90-F168 HydrophobicContact CD1-CZ 3.86Å; V164-F168 HydrophobicContact CG1-CD2 4.48Å; V164-F168 HydrophobicContact CG1-CE2 4.33Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.48Å; D165-F168 PolarHBondContact O-N 3.17Å; K166-F168 PolarHBondContact O-N 3.31Å; F168-M172 WeakPolarHBondContact O-CB 3.17Å; F168-M172 WeakPolarHBondContact O-CG 3.2Å; F168-M172 PolarHBondContact O-N 3.18Å
169	F	98.8	Very high	98.1	Very high	45 Å²	45	46.2 Å²	46.2	20%	0.197	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-39.6	179.7	-77.4	-67.1	0	0	0	112.8	F34 V55 V56 L57 D165 K166 M172 R173	F34-F169 HydrophobicContact CE2-CE2 4.09Å; V55-F169 HydrophobicContact CB-CE1 4.06Å; V55-F169 HydrophobicContact CB-CZ 4.14Å; V55-F169 HydrophobicContact CG2-CE1 4.01Å; V56-F169 WeakPolarHBondContact O-CE1 3.48Å; L57-F169 HydrophobicContact CD1-CD1 3.79Å; D165-F169 HydrophobicContact CB-CD2 4.08Å; D165-F169 HydrophobicContact CB-CE2 4.17Å; D165-F169 WeakPolarHBondContact O-CD2 3.46Å; D165-F169 PolarHBondContact O-N 3.12Å; K166-F169 PolarHBondContact O-N 3.16Å; F169-M172 PolarHBondContact O-N 2.81Å; F169-R173 WeakPolarHBondContact O-CG 3.45Å; F169-R173 PolarHBondContact O-N 2.97Å
170	D	98.8	Very high	97.9	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-46.7	177.9	-72.5	-9.3	0	0	0	111.2	L123 K166 M172 R173 E174	L123-D170 HydrophobicContact CD1-CB 3.91Å; K166-D170 VanDerWaalsContact CG-OD2 3.31Å; K166-D170 WeakPolarHBondContact CG-OD2 3.25Å; K166-D170 IonicContact NZ-OD2 2.87Å; K166-D170 PolarHBondContact NZ-OD2 3.27Å; K166-D170 VanDerWaalsContact O-CB 3.25Å; K166-D170 WeakPolarHBondContact O-CB 3.28Å; K166-D170 PolarHBondContact O-N 3.3Å; D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 3.12Å; D170-R173 WeakPolarHBondContact O-CB 3.48Å; D170-R173 PolarHBondContact O-N 3.01Å; D170-R173 VanDerWaalsContact O-N 3.15Å; D170-R173 IonicContact OD1-NH1 3.66Å; D170-R173 PolarHBondContact OD1-NH1 3.35Å; D170-E174 PolarHBondContact O-N 3.45Å; D170-E174 VanDerWaalsContact O-N 3.14Å
171	L	98.9	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-39.7	174.9	-177	68.3	0	0	0	111.8	V17 L90 P121 L123 V167 R173 E174 I175	V17-L171 HydrophobicContact CB-CD2 4.34Å; V17-L171 HydrophobicContact CG1-CD2 3.66Å; V17-L171 HydrophobicContact CG2-CD2 3.85Å; L90-L171 HydrophobicContact CD2-CB 4.02Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.37Å; L90-L171 HydrophobicContact CG-CD2 3.67Å; P121-L171 HydrophobicContact CB-CD1 3.85Å; L123-L171 HydrophobicContact CB-CD1 4.38Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 2.98Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 2.78Å; L171-E174 WeakPolarHBondContact O-CB 3.26Å; L171-E174 PolarHBondContact O-N 3.18Å; L171-E174 VanDerWaalsContact O-N 3.16Å; L171-I175 HydrophobicContact CG-CD1 4.18Å; L171-I175 WeakPolarHBondContact O-CG1 3.18Å; L171-I175 PolarHBondContact O-N 3.06Å
172	M	98.8	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-34.8	175.5	-73.4	178.4	75.3	0	0	112.4	H15 V55 L57 V62 I64 F168 F169 D170 I175 R176	H15-M172 HydrophobicContact CB-CE 4.13Å; H15-M172 HydrophobicContact CB-CG 4.29Å; V55-M172 HydrophobicContact CG2-CE 3.69Å; V55-M172 HydrophobicContact CG2-SD 4.08Å; L57-M172 HydrophobicContact CD1-CB 4.41Å; L57-M172 HydrophobicContact CD2-CB 4.01Å; L57-M172 HydrophobicContact CD2-CE 4.47Å; V62-M172 HydrophobicContact CG2-CE 3.45Å; V62-M172 VanDerWaalsContact CG2-CE 3.45Å; I64-M172 HydrophobicContact CB-CE 3.96Å; I64-M172 HydrophobicContact CB-SD 3.93Å; I64-M172 HydrophobicContact CD1-CG 4.1Å; I64-M172 HydrophobicContact CD1-SD 3.75Å; I64-M172 HydrophobicContact CG1-SD 4.14Å; F168-M172 WeakPolarHBondContact O-CB 3.17Å; F168-M172 WeakPolarHBondContact O-CG 3.2Å; F168-M172 PolarHBondContact O-N 3.18Å; F169-M172 PolarHBondContact O-N 2.81Å; D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 3.12Å; M172-I175 PolarHBondContact O-N 3.07Å; M172-R176 WeakPolarHBondContact O-CB 3.42Å; M172-R176 PolarHBondContact O-N 2.78Å
173	R	98.7	Very high	96.5	Very high	97 Å²	97	47.7 Å²	47.7	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-42	173.2	-69.5	-179	-174.3	104.1	4.2	111.8	L57 D58 F169 D170 L171 R176 A177	L57-R173 HydrophobicContact CD1-CG 3.75Å; D58-R173 IonicContact OD1-CZ 3.99Å; D58-R173 IonicContact OD1-NE 3.64Å; D58-R173 PolarHBondContact OD1-NE 3.19Å; D58-R173 IonicContact OD1-NH2 2.67Å; D58-R173 PolarHBondContact OD1-NH2 2.84Å; D58-R173 IonicContact OD2-NE 3.43Å; D58-R173 PolarHBondContact OD2-NE 2.75Å; F169-R173 WeakPolarHBondContact O-CG 3.45Å; F169-R173 PolarHBondContact O-N 2.97Å; D170-R173 WeakPolarHBondContact O-CB 3.48Å; D170-R173 PolarHBondContact O-N 3.01Å; D170-R173 VanDerWaalsContact O-N 3.15Å; D170-R173 IonicContact OD1-NH1 3.66Å; D170-R173 PolarHBondContact OD1-NH1 3.35Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 2.78Å; R173-R176 PolarHBondContact O-N 3.29Å; R173-A177 WeakPolarHBondContact O-CB 3.42Å; R173-A177 PolarHBondContact O-N 2.91Å
174	E	98.5	Very high	95.8	Very high	47 Å²	47	51.3 Å²	51.3	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-45.4	175.3	-67.7	178.6	-167.9	0	0	111.4	P121 F122 N152 D170 L171 R176 A177 R178	P121-E174 HydrophobicContact CB-CB 3.84Å; P121-E174 HydrophobicContact CG-CB 4.29Å; F122-E174 PolarHBondContact N-OE2 3.01Å; N152-E174 PolarHBondContact ND2-OE1 3.27Å; D170-E174 PolarHBondContact O-N 3.45Å; D170-E174 VanDerWaalsContact O-N 3.14Å; L171-E174 WeakPolarHBondContact O-CB 3.26Å; L171-E174 PolarHBondContact O-N 3.18Å; L171-E174 VanDerWaalsContact O-N 3.16Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.07Å; E174-A177 PolarHBondContact O-N 3.08Å; E174-R178 PolarHBondContact O-N 3.35Å
175	I	98.6	Very high	95	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-45.5	174.4	-64.9	168.1	0	0	0	110.9	H15 V17 E87 P121 L171 M172 R178 K179	H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 HydrophobicContact CB-CG2 4.35Å; V17-I175 HydrophobicContact CG2-CD1 3.91Å; E87-I175 HydrophobicContact CB-CD1 4.25Å; E87-I175 HydrophobicContact CB-CG1 4.3Å; E87-I175 HydrophobicContact CB-CG2 3.78Å; P121-I175 HydrophobicContact CB-CG1 3.8Å; P121-I175 HydrophobicContact CG-CG1 4.01Å; L171-I175 HydrophobicContact CG-CD1 4.18Å; L171-I175 WeakPolarHBondContact O-CG1 3.18Å; L171-I175 PolarHBondContact O-N 3.06Å; M172-I175 PolarHBondContact O-N 3.07Å; I175-R178 PolarHBondContact O-N 3.31Å; I175-K179 HydrophobicContact CG2-CD 4.17Å; I175-K179 WeakPolarHBondContact O-CG 3.19Å; I175-K179 PolarHBondContact O-N 2.83Å
176	R	97.7	Very high	94	Very high	55 Å²	55	59.9 Å²	59.9	21%	0.208	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-46	178.8	-176.8	178.5	-174.9	-162.8	4.7	111.2	L57 D58 E60 M172 R173 E174 R178 K179 M180	L57-R176 HydrophobicContact CD2-CB 4.48Å; D58-R176 IonicContact OD2-NH1 3.53Å; D58-R176 PolarHBondContact OD2-NH1 2.95Å; E60-R176 IonicContact OE2-CZ 3.43Å; E60-R176 IonicContact OE2-NE 3.73Å; E60-R176 IonicContact OE2-NH2 3.89Å; E60-R176 PolarHBondContact OE2-NH2 3.32Å; M172-R176 WeakPolarHBondContact O-CB 3.42Å; M172-R176 PolarHBondContact O-N 2.78Å; R173-R176 PolarHBondContact O-N 3.29Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.07Å; R176-R178 PolarHBondContact O-N 2.83Å; R176-K179 PolarHBondContact O-N 2.79Å; R176-M180 HydrophobicContact CG-CE 3.74Å; R176-M180 WeakPolarHBondContact O-CG 3.45Å; R176-M180 PolarHBondContact O-N 3.44Å; R176-M180 VanDerWaalsContact O-N 3.12Å
177	A	96.9	Very high	92.9	Very high	47 Å²	47	60 Å²	60	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-58.6	-47.3	176.9	0	0	0	0	0	111.1	R173 E174 K179 M180 E181	R173-A177 WeakPolarHBondContact O-CB 3.42Å; R173-A177 PolarHBondContact O-N 2.91Å; E174-A177 PolarHBondContact O-N 3.08Å; A177-K179 PolarHBondContact O-N 3.35Å; A177-M180 WeakPolarHBondContact O-CB 3.22Å; A177-M180 PolarHBondContact O-N 2.85Å; A177-M180 VanDerWaalsContact O-N 3.12Å; A177-E181 PolarHBondContact O-N 3.29Å
178	R	95.5	Very high	91.8	Very high	64 Å²	64	61.5 Å²	61.5	24%	0.242	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-43.6	179	-173.9	56.1	-179.3	-109.5	1.7	112.9	D117 N119 P121 E174 I175 R176 M180 E181 D182	D117-R178 IonicContact OD1-CZ 2.97Å; D117-R178 IonicContact OD1-NH1 2.67Å; D117-R178 PolarHBondContact OD1-NH1 3.14Å; D117-R178 VanDerWaalsContact OD1-NH1 3.11Å; D117-R178 IonicContact OD1-NH2 3.43Å; D117-R178 PolarHBondContact OD1-NH2 2.7Å; D117-R178 VanDerWaalsContact OD1-NH2 3.11Å; D117-R178 IonicContact OD2-CZ 3.46Å; D117-R178 IonicContact OD2-NH1 2.66Å; D117-R178 PolarHBondContact OD2-NH1 2.99Å; D117-R178 IonicContact OD2-NH2 2.77Å; D117-R178 PolarHBondContact OD2-NH2 3.47Å; N119-R178 PolarHBondContact O-NH1 3.44Å; P121-R178 HydrophobicContact CG-CB 4.18Å; E174-R178 PolarHBondContact O-N 3.35Å; I175-R178 PolarHBondContact O-N 3.31Å; R176-R178 PolarHBondContact O-N 2.83Å; R178-M180 VanDerWaalsContact C-N 3.27Å; R178-M180 PolarHBondContact O-N 3.48Å; R178-E181 PolarHBondContact O-N 3Å; R178-D182 IonicContact NE-OD1 3.69Å; R178-D182 PolarHBondContact O-N 3.24Å
179	K	94.6	Very high	90.5	Very high	59 Å²	59	67.4 Å²	67.4	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-35.6	175.2	-74.5	176.3	-180	175.1	0	113	L14 E87 I175 R176 A177 S183	L14-K179 PolarHBondContact O-NZ 2.98Å; E87-K179 WeakPolarHBondContact OE1-CE 3.47Å; E87-K179 IonicContact OE1-NZ 2.92Å; E87-K179 PolarHBondContact OE1-NZ 3.08Å; E87-K179 WeakPolarHBondContact OE2-CE 3.35Å; E87-K179 IonicContact OE2-NZ 2.72Å; E87-K179 PolarHBondContact OE2-NZ 3.07Å; I175-K179 HydrophobicContact CG2-CD 4.17Å; I175-K179 WeakPolarHBondContact O-CG 3.19Å; I175-K179 PolarHBondContact O-N 2.83Å; R176-K179 PolarHBondContact O-N 2.79Å; A177-K179 PolarHBondContact O-N 3.35Å; K179-S183 WeakPolarHBondContact O-CB 3.31Å; K179-S183 PolarHBondContact O-N 2.9Å; K179-S183 VanDerWaalsContact O-N 3.17Å; K179-S183 PolarHBondContact O-OG 2.67Å
180	M	92.4	Very high	89.1	Confident	91 Å²	91	72.1 Å²	72.1	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-69	-39.8	176.6	-70.3	180	-179.4	0	0	111.7	R176 A177 R178 S183 K184	R176-M180 HydrophobicContact CG-CE 3.74Å; R176-M180 WeakPolarHBondContact O-CG 3.45Å; R176-M180 PolarHBondContact O-N 3.44Å; R176-M180 VanDerWaalsContact O-N 3.12Å; A177-M180 WeakPolarHBondContact O-CB 3.22Å; A177-M180 PolarHBondContact O-N 2.85Å; A177-M180 VanDerWaalsContact O-N 3.12Å; R178-M180 VanDerWaalsContact C-N 3.27Å; R178-M180 PolarHBondContact O-N 3.48Å; M180-S183 PolarHBondContact O-N 3.39Å; M180-K184 WeakPolarHBondContact O-CG 3.5Å; M180-K184 PolarHBondContact O-N 2.61Å
181	E	91	Very high	87.7	Confident	110 Å²	110	78 Å²	78	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-50.1	175.5	-70.7	174.6	176.8	0	0	111.7	A177 R178 S183 K184 E185	A177-E181 PolarHBondContact O-N 3.29Å; R178-E181 PolarHBondContact O-N 3Å; E181-S183 PolarHBondContact O-N 2.95Å; E181-K184 WeakPolarHBondContact O-CB 3.48Å; E181-K184 PolarHBondContact O-N 3.3Å; E181-E185 PolarHBondContact O-N 2.98Å
182	D	88	Confident	86.5	Confident	59 Å²	59	87.5 Å²	87.5	32%	0.316	41%	0.409	S	S	.	.	H	α-helix	trans	-56.4	-37.8	176.9	-75.2	-6.1	0	0	0	112.2	R178 K186	R178-D182 IonicContact NE-OD1 3.69Å; R178-D182 PolarHBondContact O-N 3.24Å; D182-K186 WeakPolarHBondContact O-CB 3.39Å; D182-K186 VanDerWaalsContact O-CG 3.26Å; D182-K186 WeakPolarHBondContact O-CG 3.48Å; D182-K186 PolarHBondContact O-N 3.31Å; D182-K186 VanDerWaalsContact O-N 3.07Å
183	S	87	Confident	85.1	Confident	65 Å²	65	95.2 Å²	95.2	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-70	-40	178.5	-62.9	0	0	0	0	112.2	K179 M180 E181 N187	K179-S183 WeakPolarHBondContact O-CB 3.31Å; K179-S183 PolarHBondContact O-N 2.9Å; K179-S183 VanDerWaalsContact O-N 3.17Å; K179-S183 PolarHBondContact O-OG 2.67Å; M180-S183 PolarHBondContact O-N 3.39Å; E181-S183 PolarHBondContact O-N 2.95Å; S183-N187 WeakPolarHBondContact O-CB 3.2Å; S183-N187 PolarHBondContact O-N 2.59Å; S183-N187 VanDerWaalsContact O-N 3.09Å
184	K	84.4	Confident	83.8	Confident	154 Å²	154	93.9 Å²	93.9	67%	0.67	45%	0.448	S	S	*	.	H	α-helix	trans	-65.1	-43.4	175.1	-73.6	173.9	-174.7	173.2	0	111.2	M180 E181 N187 G188	M180-K184 WeakPolarHBondContact O-CG 3.5Å; M180-K184 PolarHBondContact O-N 2.61Å; E181-K184 WeakPolarHBondContact O-CB 3.48Å; E181-K184 PolarHBondContact O-N 3.3Å; K184-N187 PolarHBondContact O-N 3.14Å; K184-G188 PolarHBondContact O-N 2.83Å
185	E	80.5	Confident	82.9	Confident	107 Å²	107	96.6 Å²	96.6	50%	0.5	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-46.8	177	-75.9	-157.5	-176.9	0	0	112.9	E181 N187 G188 K189	E181-E185 PolarHBondContact O-N 2.98Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 2.96Å; E185-G188 PolarHBondContact O-N 2.93Å; E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 WeakPolarHBondContact O-CG 3.4Å; E185-K189 PolarHBondContact O-N 3.36Å; E185-K189 IonicContact OE2-NZ 2.98Å; E185-K189 PolarHBondContact OE2-NZ 3.2Å
186	K	78.8	Confident	81.9	Confident	132 Å²	132	98.3 Å²	98.3	57%	0.574	48%	0.478	S	S	*	.	H	α-helix	trans	-60.4	-41	177.9	-74.9	171	-173.2	169.4	0	110.9	D182 K190	D182-K186 WeakPolarHBondContact O-CB 3.39Å; D182-K186 VanDerWaalsContact O-CG 3.26Å; D182-K186 WeakPolarHBondContact O-CG 3.48Å; D182-K186 PolarHBondContact O-N 3.31Å; D182-K186 VanDerWaalsContact O-N 3.07Å; K186-K190 WeakPolarHBondContact O-CB 3.25Å; K186-K190 WeakPolarHBondContact O-CG 3.25Å; K186-K190 PolarHBondContact O-N 3.06Å
187	N	76.1	Confident	81	Confident	92 Å²	92	101.7 Å²	101.7	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-68.9	-38	176.1	-77.5	-14.1	0	0	0	112.7	S183 K184 E185 K190 K191	S183-N187 WeakPolarHBondContact O-CB 3.2Å; S183-N187 PolarHBondContact O-N 2.59Å; S183-N187 VanDerWaalsContact O-N 3.09Å; K184-N187 PolarHBondContact O-N 3.14Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 2.96Å; N187-K190 PolarHBondContact O-N 2.76Å; N187-K191 WeakPolarHBondContact O-CB 3.49Å; N187-K191 WeakPolarHBondContact O-CG 3.48Å; N187-K191 PolarHBondContact O-N 2.87Å
188	G	74.2	Confident	80	Confident	31 Å²	31	107.4 Å²	107.4	32%	0.32	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-46.7	173	0	0	0	0	0	112.5	K184 E185 K190 K191 R192	K184-G188 PolarHBondContact O-N 2.83Å; E185-G188 PolarHBondContact O-N 2.93Å; G188-K190 PolarHBondContact O-N 2.82Å; G188-K191 PolarHBondContact O-N 2.75Å; G188-R192 WeakPolarHBondContact O-CG 3.23Å; G188-R192 PolarHBondContact O-N 3.25Å
189	K	73.6	Confident	79.1	Confident	125 Å²	125	108.9 Å²	108.9	54%	0.543	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-41.7	175.3	-73.3	168.4	-179	155.9	0	111.3	E185 R192 K193	E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 WeakPolarHBondContact O-CG 3.4Å; E185-K189 PolarHBondContact O-N 3.36Å; E185-K189 IonicContact OE2-NZ 2.98Å; E185-K189 PolarHBondContact OE2-NZ 3.2Å; K189-R192 PolarHBondContact O-N 3.03Å; K189-K193 WeakPolarHBondContact O-CG 3.5Å; K189-K193 PolarHBondContact O-N 3.06Å
190	K	69.3	Low	78.2	Confident	143 Å²	143	114.4 Å²	114.4	62%	0.622	54%	0.537	S	S	*	.	H	α-helix	trans	-62.1	-47.3	173.6	-78.2	-180	-177.2	177.9	0	112.2	K186 N187 G188 R192 K193 S194	K186-K190 WeakPolarHBondContact O-CB 3.25Å; K186-K190 WeakPolarHBondContact O-CG 3.25Å; K186-K190 PolarHBondContact O-N 3.06Å; N187-K190 PolarHBondContact O-N 2.76Å; G188-K190 PolarHBondContact O-N 2.82Å; K190-R192 PolarHBondContact O-N 2.97Å; K190-K193 PolarHBondContact O-N 2.68Å; K190-S194 PolarHBondContact O-N 3.39Å; K190-S194 PolarHBondContact O-OG 3.32Å
191	K	67.6	Low	77.5	Confident	157 Å²	157	114.9 Å²	114.9	68%	0.683	54%	0.538	S	S	*	.	H	α-helix	trans	-60.3	-41.5	176.7	-78	-176.4	178.7	-177.5	0	112.3	N187 G188 S194 L195	N187-K191 WeakPolarHBondContact O-CB 3.49Å; N187-K191 WeakPolarHBondContact O-CG 3.48Å; N187-K191 PolarHBondContact O-N 2.87Å; G188-K191 PolarHBondContact O-N 2.75Å; K191-S194 WeakPolarHBondContact CA-OG 3.45Å; K191-S194 PolarHBondContact O-N 3.03Å; K191-S194 PolarHBondContact O-OG 2.97Å; K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 PolarHBondContact O-N 3.45Å
192	R	73.7	Confident	76.7	Confident	200 Å²	200	118.7 Å²	118.7	76%	0.755	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-42.9	175.2	-73.3	176.7	70.4	164.9	1.1	112	G188 K189 K190 L195 A196	G188-R192 WeakPolarHBondContact O-CG 3.23Å; G188-R192 PolarHBondContact O-N 3.25Å; K189-R192 PolarHBondContact O-N 3.03Å; K190-R192 PolarHBondContact O-N 2.97Å; R192-L195 PolarHBondContact O-N 3.21Å; R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 3.15Å
193	K	70.8	Confident	75.5	Confident	162 Å²	162	120.1 Å²	120.1	70%	0.704	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-42.9	175.1	-76.4	-176.1	178.1	-176.3	0	112.1	K189 K190 A196 K197	K189-K193 WeakPolarHBondContact O-CG 3.5Å; K189-K193 PolarHBondContact O-N 3.06Å; K190-K193 PolarHBondContact O-N 2.68Å; K193-A196 PolarHBondContact O-N 3.5Å; K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.07Å
194	S	71.9	Confident	74.1	Confident	70 Å²	70	122.1 Å²	122.1	49%	0.49	57%	0.574	S	S	.	*	H	α-helix	trans	-66.2	-39	176.4	59.7	0	0	0	0	112.3	K190 K191 K197 R198	K190-S194 PolarHBondContact O-N 3.39Å; K190-S194 PolarHBondContact O-OG 3.32Å; K191-S194 WeakPolarHBondContact CA-OG 3.45Å; K191-S194 PolarHBondContact O-N 3.03Å; K191-S194 PolarHBondContact O-OG 2.97Å; S194-K197 PolarHBondContact O-N 3.32Å; S194-R198 WeakPolarHBondContact O-CB 3.49Å; S194-R198 PolarHBondContact O-N 3.41Å
195	L	79.2	Confident	72.8	Confident	103 Å²	103	121.6 Å²	121.6	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-65.2	-46.6	175.5	-177.3	63.1	0	0	0	111.3	K191 R192 K197 R198 I199	K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 PolarHBondContact O-N 3.45Å; R192-L195 PolarHBondContact O-N 3.21Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; L195-R198 PolarHBondContact O-N 3.44Å; L195-R198 VanDerWaalsContact O-N 3.17Å; L195-I199 HydrophobicContact CD1-CD1 4.26Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.99Å; L195-I199 WeakPolarHBondContact O-CG1 3.28Å; L195-I199 PolarHBondContact O-N 2.7Å
196	A	76.6	Confident	71.3	Confident	39 Å²	39	126.9 Å²	126.9	32%	0.322	61%	0.607	S	S	.	*	H	α-helix	trans	-64	-30.9	177	0	0	0	0	0	113	R192 K193 R200	R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 3.15Å; K193-A196 PolarHBondContact O-N 3.5Å; A196-R200 PolarHBondContact O-N 3.3Å; A196-R200 PolarHBondContact O-NE 3.04Å
197	K	78.9	Confident	70.9	Confident	126 Å²	126	126.6 Å²	126.6	55%	0.548	61%	0.609	S	S	.	*	H	α-helix	trans	-67.4	-48.3	171	-177.7	174.7	172.7	176.4	0	110.8	K193 S194 L195 I199 R200 E201	K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.07Å; S194-K197 PolarHBondContact O-N 3.32Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3.31Å; K197-R200 PolarHBondContact O-N 3.24Å; K197-E201 WeakPolarHBondContact CE-OE1 3.5Å; K197-E201 WeakPolarHBondContact CG-OE1 3.29Å; K197-E201 IonicContact NZ-OE1 3.94Å; K197-E201 WeakPolarHBondContact O-CG 3.13Å; K197-E201 PolarHBondContact O-N 2.93Å
198	R	76.8	Confident	70.6	Confident	167 Å²	167	128.4 Å²	128.4	63%	0.63	62%	0.615	S	S	*	*	H	α-helix	trans	-64.4	-34	-179.8	-157.7	177.7	-171.1	-171.9	2.2	113.5	S194 L195 R202	S194-R198 WeakPolarHBondContact O-CB 3.49Å; S194-R198 PolarHBondContact O-N 3.41Å; L195-R198 PolarHBondContact O-N 3.44Å; L195-R198 VanDerWaalsContact O-N 3.17Å; R198-R202 PolarHBondContact O-N 3.32Å
199	I	77.1	Confident	70.4	Confident	95 Å²	95	133.8 Å²	133.8	49%	0.487	63%	0.632	S	S	.	*	H	α-helix	trans	-68.6	-45.5	173.8	-68.3	169	0	0	0	110.5	L195 K197 E201 R202 C203	L195-I199 HydrophobicContact CD1-CD1 4.26Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.99Å; L195-I199 WeakPolarHBondContact O-CG1 3.28Å; L195-I199 PolarHBondContact O-N 2.7Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3.31Å; I199-E201 PolarHBondContact O-N 3.11Å; I199-R202 PolarHBondContact O-N 3Å; I199-R202 VanDerWaalsContact O-N 3.17Å; I199-C203 PolarHBondContact O-N 3.33Å; I199-C203 VanDerWaalsContact O-N 3.07Å
200	R	74.3	Confident	70.2	Confident	174 Å²	174	134.4 Å²	134.4	66%	0.657	64%	0.637	S	S	*	*	H	α-helix	trans	-60.8	-43.2	176.1	-88.2	-178.2	-80.2	-155.3	-2.8	112.7	A196 K197 R202 C203 C204	A196-R200 PolarHBondContact O-N 3.3Å; A196-R200 PolarHBondContact O-NE 3.04Å; K197-R200 PolarHBondContact O-N 3.24Å; R200-R202 PolarHBondContact O-N 2.8Å; R200-C203 PolarHBondContact O-N 3.17Å; R200-C204 PolarHBondContact O-N 3.15Å
201	E	77.8	Confident	70.3	Confident	102 Å²	102	133.8 Å²	133.8	48%	0.477	64%	0.638	S	S	.	*	H	α-helix	trans	-63.9	-27.6	176.9	-72.5	168.9	175.5	0	0	112.8	K197 I199 I205	K197-E201 WeakPolarHBondContact CE-OE1 3.5Å; K197-E201 WeakPolarHBondContact CG-OE1 3.29Å; K197-E201 IonicContact NZ-OE1 3.94Å; K197-E201 WeakPolarHBondContact O-CG 3.13Å; K197-E201 PolarHBondContact O-N 2.93Å; I199-E201 PolarHBondContact O-N 3.11Å; E201-I205 WeakPolarHBondContact O-CD1 3.48Å; E201-I205 WeakPolarHBondContact O-CG1 3.37Å
202	R	75.5	Confident	70.5	Confident	189 Å²	189	132.3 Å²	132.3	71%	0.713	64%	0.635	S	S	*	*	H	α-helix	trans	-79.4	-32.7	173.4	-80.7	-175	169.4	-155.1	-3.7	113.6	R198 I199 R200	R198-R202 PolarHBondContact O-N 3.32Å; I199-R202 PolarHBondContact O-N 3Å; I199-R202 VanDerWaalsContact O-N 3.17Å; R200-R202 PolarHBondContact O-N 2.8Å
203	C	61.5	Low	70.2	Confident	90 Å²	90	127.4 Å²	127.4	61%	0.608	63%	0.626	S	S	*	*	H	α-helix	trans	-78.8	-19.7	-179.6	-74.6	0	0	0	0	114	I199 R200 I205	I199-C203 PolarHBondContact O-N 3.33Å; I199-C203 VanDerWaalsContact O-N 3.07Å; R200-C203 PolarHBondContact O-N 3.17Å; C203-I205 VanDerWaalsContact C-N 3.32Å
204	C	58.8	Low	70.2	Confident	106 Å²	106	124.8 Å²	124.8	72%	0.716	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	5.7	176.9	-66.8	0	0	0	0	114.4	R200	R200-C204 PolarHBondContact O-N 3.15Å
205	I	55.2	Low	70	Confident	143 Å²	143	129.3 Å²	129.3	73%	0.733	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	18.3	177.6	-52.8	171.3	0	0	0	110.9	E201 C203	E201-I205 WeakPolarHBondContact O-CD1 3.48Å; E201-I205 WeakPolarHBondContact O-CG1 3.37Å; C203-I205 VanDerWaalsContact C-N 3.32Å
206	L	49	Very low	69.2	Low	218 Å²	218	131.7 Å²	131.7	100%	1.141	64%	0.639	S	S	*	*			trans	-121.1	0	170.8	-72.1	168.4	0	0	0	109

Retrieved 206 of 206 residues in 209.3 ms (Link to these results)

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