A0A3B3U4B8_9TELE Loading...

Chloride intracellular channel protein

In the soluble state, catalyzes glutaredoxin-like thiol disulfide exchange reactions with reduced glutathione as electron donor. Reduced in a glutathione-dependent way and secreted into the extracellular matrix where it activates TGM2 and promotes blood vessel growth during tissue remodeling as occurs in tumorigenesis. Can reduce specific cysteines in TGM2 and regulate cofactor binding. Can insert into membranes and form outwardly rectifying chloride ion channels. May participate in cellular growth control. In the soluble state, catalyzes glutaredoxin-like thiol disulfide exchange reactions with reduced glutathione as electron donor. Reduces selenite and dehydroascorbate and may act as an antioxidant during oxidative stress response. Can insert into membranes and form voltage-dependent multi-ion conductive channels. Membrane insertion seems to be redox-regulated and may occur only under oxidizing conditions. Involved in regulation of the cell cycle.

AlphaFold DB , UniProt , Accession A0A3B3U4B8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 242 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	38.9	Very low	74.6	Confident	248 Å²	248	91.4 Å²	91.4	100%	1.222	52%	0.515	S	S	*	.				0	105.2	0	-78	168.4	163.9	0	0	105.8	D3	M1-D3 PolarHBondContact O-N 3.19Å
2	S	47.2	Very low	76.3	Confident	114 Å²	114	84.6 Å²	84.6	80%	0.797	48%	0.475	S	S	*	.			trans	-66.9	122.1	173.2	48.1	0	0	0	0	108	A4	S2-A4 PolarHBondContact O-N 3.12Å
3	D	56	Low	77.8	Confident	111 Å²	111	78.2 Å²	78.2	59%	0.594	44%	0.439	S	S	*	.			trans	-57.2	121.3	171.2	-104.8	-31	0	0	0	107.9	M1 N5 E6	M1-D3 PolarHBondContact O-N 3.19Å; D3-N5 PolarHBondContact O-N 3.33Å; D3-E6 HydrophobicContact CB-CG 4.08Å; D3-E6 PolarHBondContact O-N 2.97Å
4	A	59.3	Low	78.8	Confident	110 Å²	110	79 Å²	79	91%	0.909	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-1.6	-177.1	0	0	0	0	0	114.1	S2	S2-A4 PolarHBondContact O-N 3.12Å
5	N	68.3	Low	79.7	Confident	161 Å²	161	74.3 Å²	74.3	86%	0.861	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	2.7	-178.7	-124.4	15.7	0	0	0	113.4	D3	D3-N5 PolarHBondContact O-N 3.33Å
6	E	78	Confident	80.5	Confident	71 Å²	71	70.1 Å²	70.1	33%	0.332	39%	0.391	S	S	.	.	S	Bend	trans	-77.7	130.8	174.1	-80.7	-177.7	-172.5	0	0	111.1	D3 K8 K93	D3-E6 HydrophobicContact CB-CG 4.08Å; D3-E6 PolarHBondContact O-N 2.97Å; E6-K8 PolarHBondContact O-N 3.29Å; E6-K93 WeakPolarHBondContact OE1-CE 3.21Å; E6-K93 IonicContact OE1-NZ 2.88Å; E6-K93 PolarHBondContact OE1-NZ 2.96Å
7	P	88.4	Confident	81	Confident	50 Å²	50	69.2 Å²	69.2	33%	0.325	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-63.6	132.5	177.2	24.1	-30.9	0	0	0	110.1	I9 Y70	P7-I9 WeakPolarHBondContact O-CG1 3.41Å; P7-I9 PolarHBondContact O-N 3.18Å; P7-Y70 HydrophobicContact CB-CD1 4.08Å; P7-Y70 HydrophobicContact CB-CE1 3.75Å; P7-Y70 HydrophobicContact CG-CD1 4.13Å; P7-Y70 HydrophobicContact CG-CE1 3.33Å; P7-Y70 HydrophobicContact CG-CE2 3.86Å; P7-Y70 WeakPolarHBondContact CG-OH 3.17Å
8	K	93.8	Very high	81.5	Confident	108 Å²	108	70.2 Å²	70.2	47%	0.47	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-59	128.6	174.3	-170.2	-172.8	-176	-154.2	0	109.5	E6 E10 D43 G71	E6-K8 PolarHBondContact O-N 3.29Å; K8-E10 IonicContact NZ-OE2 2.73Å; K8-E10 PolarHBondContact NZ-OE2 3.4Å; K8-D43 WeakPolarHBondContact CE-OD2 3.32Å; K8-D43 IonicContact NZ-OD2 2.98Å; K8-D43 PolarHBondContact NZ-OD2 2.89Å; K8-G71 PolarHBondContact O-N 3.43Å
9	I	97.1	Very high	81.8	Confident	7 Å²	7	67.2 Å²	67.2	4%	0.036	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.8	175.3	-52	-174.3	0	0	0	108.1	P7 L35 V40 F42 D43 L68 Q69 Y70 L89	P7-I9 WeakPolarHBondContact O-CG1 3.41Å; P7-I9 PolarHBondContact O-N 3.18Å; I9-L35 HydrophobicContact CG2-CD1 4.23Å; I9-L35 HydrophobicContact CG2-CD2 4.04Å; I9-V40 HydrophobicContact CD1-CB 4.41Å; I9-V40 HydrophobicContact CD1-CG1 3.99Å; I9-V40 HydrophobicContact CD1-CG2 3.57Å; I9-F42 HydrophobicContact CB-CB 3.81Å; I9-F42 HydrophobicContact CG2-CB 3.79Å; I9-F42 VanDerWaalsContact O-CA 3.26Å; I9-F42 WeakPolarHBondContact O-CA 3.46Å; I9-F42 WeakPolarHBondContact O-CB 3.34Å; I9-D43 PolarHBondContact O-N 3.17Å; I9-L68 HydrophobicContact CG2-CD1 3.73Å; I9-Q69 WeakPolarHBondContact CA-O 3.17Å; I9-Y70 HydrophobicContact CD1-CD2 3.97Å; I9-Y70 HydrophobicContact CD1-CE2 3.73Å; I9-Y70 HydrophobicContact CG1-CD2 3.75Å; I9-Y70 HydrophobicContact CG1-CE2 3.87Å; I9-L89 HydrophobicContact CD1-CD1 4.14Å; I9-L89 HydrophobicContact CD1-CD2 4.49Å
10	E	96.7	Very high	82	Confident	25 Å²	25	70.5 Å²	70.5	12%	0.117	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.7	176.6	-172.8	167.7	168.9	0	0	109.8	K8 F12 D43 T45 Q69	K8-E10 IonicContact NZ-OE2 2.73Å; K8-E10 PolarHBondContact NZ-OE2 3.4Å; E10-F12 HydrophobicContact CB-CE2 4.04Å; E10-F12 HydrophobicContact CG-CD2 4.33Å; E10-F12 HydrophobicContact CG-CE2 3.66Å; E10-F12 HydrophobicContact CG-CZ 3.79Å; E10-F12 WeakPolarHBondContact OE1-CZ 3.47Å; E10-D43 WeakPolarHBondContact CA-O 3.36Å; E10-D43 HydrophobicContact CB-CB 4.35Å; E10-D43 HydrophobicContact CG-CB 3.95Å; E10-T45 WeakPolarHBondContact OE1-CB 3.16Å; E10-T45 PolarHBondContact OE1-OG1 3.26Å; E10-Q69 HydrophobicContact CB-CB 4.39Å; E10-Q69 PolarHBondContact N-O 3.34Å; E10-Q69 PolarHBondContact O-N 3.34Å
11	L	97.1	Very high	82.5	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.2	178.7	179.7	68.1	0	0	0	109.6	V13 L31 F32 L35 F42 D43 V44 T45 L68	L11-V13 HydrophobicContact CD2-CG1 3.72Å; L11-V13 HydrophobicContact CG-CG1 3.75Å; L11-L31 HydrophobicContact CD1-CB 3.9Å; L11-L31 HydrophobicContact CD1-CD1 4.15Å; L11-L31 HydrophobicContact CD2-CB 4.2Å; L11-F32 HydrophobicContact CD2-CB 3.84Å; L11-F32 HydrophobicContact CD2-CG 4.33Å; L11-L35 HydrophobicContact CB-CD1 3.93Å; L11-L35 HydrophobicContact CD2-CD1 4.21Å; L11-L35 HydrophobicContact CG-CD1 4.45Å; L11-F42 HydrophobicContact CB-CD2 4.44Å; L11-D43 PolarHBondContact N-O 3.44Å; L11-V44 WeakPolarHBondContact O-CA 3.31Å; L11-T45 PolarHBondContact O-N 3.42Å; L11-L68 HydrophobicContact CB-CD1 4.23Å; L11-L68 HydrophobicContact CD1-CD1 4.18Å
12	F	95.2	Very high	85	Confident	10 Å²	10	59.4 Å²	59.4	4%	0.044	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.8	176	-66	-96.9	0	0	0	109.6	E10 T45 V47 L56 L59 P66 F67 Q69	E10-F12 HydrophobicContact CB-CE2 4.04Å; E10-F12 HydrophobicContact CG-CD2 4.33Å; E10-F12 HydrophobicContact CG-CE2 3.66Å; E10-F12 HydrophobicContact CG-CZ 3.79Å; E10-F12 WeakPolarHBondContact OE1-CZ 3.47Å; F12-T45 CarbonylContact C-O 3.17Å; F12-T45 VanDerWaalsContact CA-O 3.31Å; F12-T45 WeakPolarHBondContact CA-O 3.36Å; F12-T45 HydrophobicContact CD1-CG2 3.77Å; F12-T45 HydrophobicContact CE1-CG2 3.72Å; F12-V47 HydrophobicContact CB-CG2 4.04Å; F12-V47 HydrophobicContact CD1-CG2 3.91Å; F12-V47 HydrophobicContact CG-CG2 4.48Å; F12-L56 HydrophobicContact CD1-CD2 4.21Å; F12-L56 HydrophobicContact CE1-CD2 4.3Å; F12-L59 HydrophobicContact CE1-CD2 4.09Å; F12-L59 HydrophobicContact CE2-CD2 3.77Å; F12-L59 HydrophobicContact CZ-CD2 3.45Å; F12-L59 VanDerWaalsContact CZ-CD2 3.45Å; F12-P66 VanDerWaalsContact O-CA 3.26Å; F12-P66 WeakPolarHBondContact O-CA 3.38Å; F12-F67 HydrophobicContact CB-CD1 3.98Å; F12-F67 HydrophobicContact CB-CD2 3.87Å; F12-F67 HydrophobicContact CB-CE1 3.56Å; F12-F67 HydrophobicContact CB-CE2 3.46Å; F12-F67 VanDerWaalsContact CB-CE2 3.46Å; F12-F67 HydrophobicContact CB-CG 4.11Å; F12-F67 HydrophobicContact CB-CZ 3.25Å; F12-F67 AromaticContact CD1-CE2 3.88Å; F12-F67 HydrophobicContact CD1-CE2 3.88Å; F12-F67 AromaticContact CD1-CZ 3.68Å; F12-F67 HydrophobicContact CD1-CZ 3.68Å; F12-F67 AromaticContact CD2-CD2 3.69Å; F12-F67 HydrophobicContact CD2-CD2 3.69Å; F12-F67 AromaticContact CD2-CE2 3.2Å; F12-F67 HydrophobicContact CD2-CE2 3.2Å; F12-F67 AromaticContact CD2-CZ 3.84Å; F12-F67 HydrophobicContact CD2-CZ 3.84Å; F12-F67 HydrophobicContact CE1-CE2 4.44Å; F12-F67 HydrophobicContact CE1-CZ 4.48Å; F12-F67 AromaticContact CE2-CE2 3.86Å; F12-F67 HydrophobicContact CE2-CE2 3.86Å; F12-F67 AromaticContact CG-CD2 3.95Å; F12-F67 HydrophobicContact CG-CD2 3.95Å; F12-F67 HydrophobicContact CG-CE1 4.14Å; F12-F67 AromaticContact CG-CE2 3.21Å; F12-F67 HydrophobicContact CG-CE2 3.21Å; F12-F67 AromaticContact CG-CZ 3.3Å; F12-F67 HydrophobicContact CG-CZ 3.3Å; F12-F67 HydrophobicContact CZ-CE2 4.43Å; F12-F67 PolarHBondContact N-O 2.75Å; F12-F67 PolarHBondContact O-N 3.4Å; F12-Q69 HydrophobicContact CE2-CB 3.92Å
13	V	95.1	Very high	87.2	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	159	-176.6	-58.7	0	0	0	0	111.1	L11 A15 V44 T45 T46 V47	L11-V13 HydrophobicContact CD2-CG1 3.72Å; L11-V13 HydrophobicContact CG-CG1 3.75Å; V13-A15 PolarHBondContact O-N 2.62Å; V13-V44 HydrophobicContact CG1-CG1 4.13Å; V13-V44 HydrophobicContact CG2-CG1 3.73Å; V13-T45 PolarHBondContact N-O 2.88Å; V13-T46 HydrophobicContact CG2-CG2 3.76Å; V13-T46 CarbonylContact O-C 3.56Å; V13-T46 WeakPolarHBondContact O-CA 3.49Å; V13-V47 PolarHBondContact O-N 3.3Å
14	K	92.1	Very high	89	Confident	90 Å²	90	49.8 Å²	49.8	39%	0.391	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.7	176.2	-177.1	174.1	178	179.1	0	110.2	G23 C25 P65	K14-G23 WeakPolarHBondContact O-CA 3.38Å; K14-G23 PolarHBondContact O-N 2.85Å; K14-C25 HydrophobicContact CB-CB 4.06Å; K14-C25 HydrophobicContact CD-CB 4.37Å; K14-P65 HydrophobicContact CB-CB 4.33Å
15	A	93	Very high	90.7	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-73.5	152.9	171.8	0	0	0	0	0	111.9	V13 C21 V47 D48	V13-A15 PolarHBondContact O-N 2.62Å; A15-C21 CarbonylContact C-O 3.57Å; A15-C21 WeakPolarHBondContact CA-O 3.48Å; A15-V47 VanDerWaalsContact CB-C 3.42Å; A15-V47 VanDerWaalsContact CB-O 3.31Å; A15-V47 WeakPolarHBondContact CB-O 3.21Å; A15-V47 PolarHBondContact N-O 2.86Å; A15-D48 HydrophobicContact CB-CB 4.35Å
16	G	92	Very high	92	Very high	7 Å²	7	38.3 Å²	38.3	7%	0.072	21%	0.209	C	C	.	.			trans	-74	-171.9	172.5	0	0	0	0	0	113.2	D18 G19 C21 E229	G16-D18 VanDerWaalsContact C-N 3.25Å; G16-D18 PolarHBondContact O-N 2.85Å; G16-G19 PolarHBondContact O-N 3.05Å; G16-C21 PolarHBondContact N-O 2.95Å; G16-E229 WeakPolarHBondContact CA-OE2 3.45Å
17	S	89.7	Confident	92.9	Very high	54 Å²	54	39.1 Å²	39.1	38%	0.378	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.5	-175.1	70	0	0	0	0	113.5	G19 R50 E229	S17-G19 VanDerWaalsContact C-N 3.25Å; S17-G19 PolarHBondContact O-N 3.07Å; S17-R50 VanDerWaalsContact O-CZ 3.31Å; S17-R50 PolarHBondContact O-NH1 3.31Å; S17-R50 PolarHBondContact O-NH2 2.94Å; S17-E229 VanDerWaalsContact CB-OE1 3.27Å; S17-E229 WeakPolarHBondContact CB-OE1 3.3Å; S17-E229 VanDerWaalsContact N-CD 3.26Å; S17-E229 PolarHBondContact N-OE1 3.12Å; S17-E229 VanDerWaalsContact N-OE1 3.15Å; S17-E229 PolarHBondContact N-OE2 3.46Å; S17-E229 PolarHBondContact OG-OE1 2.92Å
18	D	89.2	Confident	93.3	Very high	88 Å²	88	36.8 Å²	36.8	47%	0.471	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.2	173.9	67.5	-6.3	0	0	0	113.6	G16 L20 C21	G16-D18 VanDerWaalsContact C-N 3.25Å; G16-D18 PolarHBondContact O-N 2.85Å; D18-L20 PolarHBondContact O-N 2.88Å; D18-L20 PolarHBondContact OD1-N 3.04Å; D18-C21 PolarHBondContact OD1-N 2.82Å; D18-C21 PolarHBondContact OD1-SG 3.39Å; D18-C21 PolarHBondContact OD2-N 3.32Å
19	G	87	Confident	93.5	Very high	12 Å²	12	32 Å²	32	12%	0.124	18%	0.176	C	C	.	.	S	Bend	trans	74.5	9.8	-175.9	0	0	0	0	0	114.3	G16 S17	G16-G19 PolarHBondContact O-N 3.05Å; S17-G19 VanDerWaalsContact C-N 3.25Å; S17-G19 PolarHBondContact O-N 3.07Å
20	L	87	Confident	93.6	Very high	133 Å²	133	32.4 Å²	32.4	70%	0.696	18%	0.177	S	C	*	.	S	Bend	trans	-125.6	-49.4	-176.3	-64.1	176.7	0	0	0	112.3	D18 T46	D18-L20 PolarHBondContact O-N 2.88Å; D18-L20 PolarHBondContact OD1-N 3.04Å; L20-T46 WeakPolarHBondContact O-CB 3.25Å; L20-T46 WeakPolarHBondContact O-CG2 2.95Å; L20-T46 PolarHBondContact O-OG1 3.21Å
21	C	90.9	Very high	93.7	Very high	41 Å²	41	31.2 Å²	31.2	28%	0.277	17%	0.171	S	C	.	.	S	Bend	trans	-72.5	170.5	-177.8	72.3	0	0	0	0	112.4	A15 G16 D18 G23	A15-C21 CarbonylContact C-O 3.57Å; A15-C21 WeakPolarHBondContact CA-O 3.48Å; G16-C21 PolarHBondContact N-O 2.95Å; D18-C21 PolarHBondContact OD1-N 2.82Å; D18-C21 PolarHBondContact OD1-SG 3.39Å; D18-C21 PolarHBondContact OD2-N 3.32Å; C21-G23 PolarHBondContact O-N 2.9Å
22	I	92.6	Very high	93.8	Very high	45 Å²	45	32.3 Å²	32.3	23%	0.231	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-69.2	121.7	174.3	-60.8	173	0	0	0	109	F32 T46 P225	I22-F32 HydrophobicContact CD1-CD1 4.33Å; I22-F32 HydrophobicContact CD1-CE1 3.78Å; I22-T46 HydrophobicContact CG1-CG2 4.45Å; I22-P225 HydrophobicContact CG2-CB 4.38Å; I22-P225 WeakPolarHBondContact O-CB 3.39Å
23	G	93	Very high	93.9	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-86	166.2	178.3	0	0	0	0	0	113.3	K14 C21 C25	K14-G23 WeakPolarHBondContact O-CA 3.38Å; K14-G23 PolarHBondContact O-N 2.85Å; C21-G23 PolarHBondContact O-N 2.9Å; G23-C25 PolarHBondContact O-N 3.07Å
24	N	93.7	Very high	94.1	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.107	17%	0.174	C	C	.	.	S	Bend	trans	-65.2	103.9	174.5	174.3	52.8	0	0	0	111.9	I187 I230 A233 Y234	N24-I187 VanDerWaalsContact OD1-CD1 3.24Å; N24-I187 WeakPolarHBondContact OD1-CD1 3.48Å; N24-I187 WeakPolarHBondContact OD1-CG1 3.13Å; N24-I230 HydrophobicContact CB-CG1 4.48Å; N24-A233 HydrophobicContact CB-CB 3.7Å; N24-A233 VanDerWaalsContact ND2-CB 3.29Å; N24-A233 WeakPolarHBondContact ND2-CB 3.43Å; N24-Y234 WeakPolarHBondContact ND2-CE2 3.47Å
25	C	95.1	Very high	94.4	Very high	17 Å²	17	27.6 Å²	27.6	12%	0.115	16%	0.155	C	C	.	.			trans	-154.8	106.7	169.8	-175.5	0	0	0	0	110.6	K14 G23 F27 S28 Q29	K14-C25 HydrophobicContact CB-CB 4.06Å; K14-C25 HydrophobicContact CD-CB 4.37Å; G23-C25 PolarHBondContact O-N 3.07Å; C25-F27 PolarHBondContact O-N 3.21Å; C25-S28 WeakPolarHBondContact CB-OG 3.34Å; C25-S28 PolarHBondContact O-N 2.65Å; C25-S28 VanDerWaalsContact O-N 3.12Å; C25-S28 PolarHBondContact SG-N 3.48Å; C25-S28 PolarHBondContact SG-OG 2.87Å; C25-Q29 PolarHBondContact O-N 2.92Å; C25-Q29 VanDerWaalsContact O-N 3.1Å
26	P	96.3	Very high	94.6	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-25.3	-178.3	24.4	-31.7	0	0	0	112.6	R30 F112 P183 K184 I187	P26-R30 WeakPolarHBondContact O-CB 3.49Å; P26-R30 PolarHBondContact O-N 3.24Å; P26-F112 HydrophobicContact CG-CZ 4.24Å; P26-P183 HydrophobicContact CB-CB 3.75Å; P26-K184 HydrophobicContact CB-CG 4.02Å; P26-I187 HydrophobicContact CB-CD1 3.74Å; P26-I187 HydrophobicContact CG-CD1 3.77Å
27	F	96.7	Very high	94.9	Very high	88 Å²	88	32.2 Å²	32.2	39%	0.386	17%	0.17	S	C	.	.	H	α-helix	trans	-73.3	-37.7	176.4	-53.6	-66.7	0	0	0	112.5	C25 L31 P66 T78	C25-F27 PolarHBondContact O-N 3.21Å; F27-L31 PolarHBondContact O-N 3.35Å; F27-P66 HydrophobicContact CB-CG 3.9Å; F27-T78 HydrophobicContact CB-CG2 3.95Å; F27-T78 HydrophobicContact CD1-CG2 4.31Å
28	S	97	Very high	95.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-67.8	-45.5	175.7	-61.1	0	0	0	0	110.6	C25 R30 L31 F32	C25-S28 WeakPolarHBondContact CB-OG 3.34Å; C25-S28 PolarHBondContact O-N 2.65Å; C25-S28 VanDerWaalsContact O-N 3.12Å; C25-S28 PolarHBondContact SG-N 3.48Å; C25-S28 PolarHBondContact SG-OG 2.87Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 2.78Å; S28-L31 PolarHBondContact O-N 3.06Å; S28-F32 PolarHBondContact O-N 2.55Å
29	Q	98.1	Very high	95.7	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-43	175.4	-172.7	177.4	6.9	0	0	111.5	C25 L31 F32 M33 P183 F220 T223 C224	C25-Q29 PolarHBondContact O-N 2.92Å; C25-Q29 VanDerWaalsContact O-N 3.1Å; Q29-L31 PolarHBondContact O-N 3.07Å; Q29-F32 WeakPolarHBondContact O-CB 3.48Å; Q29-F32 PolarHBondContact O-N 2.93Å; Q29-M33 HydrophobicContact CG-CG 4.37Å; Q29-M33 HydrophobicContact CG-SD 4.29Å; Q29-M33 VanDerWaalsContact O-CG 3.3Å; Q29-M33 WeakPolarHBondContact O-CG 3.35Å; Q29-M33 PolarHBondContact O-N 2.86Å; Q29-P183 HydrophobicContact CB-CB 4.05Å; Q29-P183 HydrophobicContact CB-CG 3.98Å; Q29-P183 HydrophobicContact CG-CB 4.18Å; Q29-P183 HydrophobicContact CG-CG 3.83Å; Q29-F220 PolarHBondContact NE2-O 2.94Å; Q29-T223 WeakPolarHBondContact CG-O 3.5Å; Q29-T223 PolarHBondContact NE2-OG1 3.49Å; Q29-C224 PolarHBondContact NE2-SG 3.34Å
30	R	98.4	Very high	96.1	Very high	16 Å²	16	28.6 Å²	28.6	6%	0.06	16%	0.159	C	C	.	.	H	α-helix	trans	-50.7	-55.1	175	174.9	-179.2	-176.3	-172.3	-1.6	111.9	P26 S28 F32 M33 V34 N79 E82 C179 N180	P26-R30 WeakPolarHBondContact O-CB 3.49Å; P26-R30 PolarHBondContact O-N 3.24Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 2.78Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 2.95Å; R30-M33 WeakPolarHBondContact O-CB 3.39Å; R30-M33 PolarHBondContact O-N 2.93Å; R30-V34 WeakPolarHBondContact O-CG2 3.3Å; R30-V34 PolarHBondContact O-N 2.77Å; R30-N79 PolarHBondContact NH1-OD1 2.91Å; R30-E82 IonicContact CZ-OE1 3.35Å; R30-E82 IonicContact CZ-OE2 2.87Å; R30-E82 IonicContact NE-OE2 3.54Å; R30-E82 PolarHBondContact NE-OE2 2.78Å; R30-E82 IonicContact NH2-OE1 3.65Å; R30-E82 PolarHBondContact NH2-OE1 2.85Å; R30-E82 IonicContact NH2-OE2 2.55Å; R30-E82 PolarHBondContact NH2-OE2 2.95Å; R30-C179 WeakPolarHBondContact CA-O 3.26Å; R30-C179 VanDerWaalsContact CB-O 3.27Å; R30-C179 WeakPolarHBondContact CB-O 3.49Å; R30-C179 HydrophobicContact CG-CB 4.19Å; R30-C179 WeakPolarHBondContact CG-O 3.11Å; R30-N180 PolarHBondContact NH1-OD1 2.92Å
31	L	98.5	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.4	-33.4	-177.9	-66.5	178.1	0	0	0	112.9	L11 F27 S28 Q29 V34 L35 P66 T78 I81 E82 I85	L11-L31 HydrophobicContact CD1-CB 3.9Å; L11-L31 HydrophobicContact CD1-CD1 4.15Å; L11-L31 HydrophobicContact CD2-CB 4.2Å; F27-L31 PolarHBondContact O-N 3.35Å; S28-L31 PolarHBondContact O-N 3.06Å; Q29-L31 PolarHBondContact O-N 3.07Å; L31-V34 PolarHBondContact O-N 3.44Å; L31-L35 PolarHBondContact O-N 2.85Å; L31-P66 HydrophobicContact CD1-CB 3.92Å; L31-P66 HydrophobicContact CD1-CG 3.94Å; L31-T78 HydrophobicContact CD1-CG2 4.07Å; L31-T78 HydrophobicContact CD2-CG2 4.15Å; L31-T78 HydrophobicContact CG-CG2 3.91Å; L31-I81 HydrophobicContact CD1-CB 4.08Å; L31-I81 HydrophobicContact CD1-CD1 3.85Å; L31-I81 HydrophobicContact CD1-CG2 3.79Å; L31-I81 HydrophobicContact CD2-CB 4.14Å; L31-I81 HydrophobicContact CD2-CG2 3.8Å; L31-I81 HydrophobicContact CG-CG2 4.4Å; L31-E82 HydrophobicContact CD2-CB 4.17Å; L31-I85 HydrophobicContact CD2-CD1 4.42Å
32	F	98.4	Very high	96.8	Very high	23 Å²	23	28 Å²	28	10%	0.101	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-49.3	173.6	-161.4	164.5	0	0	0	110.1	L11 I22 S28 Q29 R30 V34 L35 W36 F42 V44 T223	L11-F32 HydrophobicContact CD2-CB 3.84Å; L11-F32 HydrophobicContact CD2-CG 4.33Å; I22-F32 HydrophobicContact CD1-CD1 4.33Å; I22-F32 HydrophobicContact CD1-CE1 3.78Å; S28-F32 PolarHBondContact O-N 2.55Å; Q29-F32 WeakPolarHBondContact O-CB 3.48Å; Q29-F32 PolarHBondContact O-N 2.93Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 2.95Å; F32-V34 VanDerWaalsContact C-N 3.32Å; F32-V34 PolarHBondContact O-N 3.12Å; F32-L35 PolarHBondContact O-N 2.88Å; F32-W36 HydrophobicContact CD2-CE3 4.09Å; F32-W36 AromaticContact CE2-CE3 3.56Å; F32-W36 HydrophobicContact CE2-CE3 3.56Å; F32-W36 AromaticContact CE2-CZ3 3.87Å; F32-W36 HydrophobicContact CE2-CZ3 3.87Å; F32-W36 HydrophobicContact CZ-CE3 4.29Å; F32-W36 HydrophobicContact CZ-CZ3 4.15Å; F32-W36 WeakPolarHBondContact O-CB 3.45Å; F32-W36 PolarHBondContact O-N 2.87Å; F32-F42 AromaticContact CD2-CE2 3.63Å; F32-F42 HydrophobicContact CD2-CE2 3.63Å; F32-F42 AromaticContact CD2-CZ 3.54Å; F32-F42 HydrophobicContact CD2-CZ 3.54Å; F32-F42 AromaticContact CE2-CE2 3.65Å; F32-F42 HydrophobicContact CE2-CE2 3.65Å; F32-F42 AromaticContact CE2-CZ 3.51Å; F32-F42 HydrophobicContact CE2-CZ 3.51Å; F32-V44 HydrophobicContact CD1-CG2 4.41Å; F32-V44 HydrophobicContact CD2-CG2 4.29Å; F32-V44 HydrophobicContact CE1-CG1 4.2Å; F32-V44 HydrophobicContact CE1-CG2 3.99Å; F32-V44 HydrophobicContact CE2-CG2 3.87Å; F32-V44 HydrophobicContact CZ-CG2 3.71Å; F32-T223 HydrophobicContact CB-CG2 4.09Å; F32-T223 HydrophobicContact CD1-CG2 3.84Å; F32-T223 HydrophobicContact CD2-CG2 3.7Å; F32-T223 HydrophobicContact CE1-CG2 4.15Å; F32-T223 HydrophobicContact CE2-CG2 4.02Å; F32-T223 HydrophobicContact CG-CG2 3.6Å; F32-T223 HydrophobicContact CZ-CG2 4.23Å
33	M	98.6	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-44	175.3	-66	178.3	70	0	0	112.1	Q29 R30 W36 L37 C179 L182 P183 E219 F220 T223	Q29-M33 HydrophobicContact CG-CG 4.37Å; Q29-M33 HydrophobicContact CG-SD 4.29Å; Q29-M33 VanDerWaalsContact O-CG 3.3Å; Q29-M33 WeakPolarHBondContact O-CG 3.35Å; Q29-M33 PolarHBondContact O-N 2.86Å; R30-M33 WeakPolarHBondContact O-CB 3.39Å; R30-M33 PolarHBondContact O-N 2.93Å; M33-W36 PolarHBondContact O-N 2.89Å; M33-L37 WeakPolarHBondContact O-CB 3.25Å; M33-L37 WeakPolarHBondContact O-CG 3.48Å; M33-L37 PolarHBondContact O-N 3.37Å; M33-C179 HydrophobicContact CB-CB 4.14Å; M33-L182 HydrophobicContact CE-CD1 3.99Å; M33-P183 HydrophobicContact SD-CG 3.96Å; M33-E219 WeakPolarHBondContact CG-O 3.3Å; M33-F220 HydrophobicContact CE-CB 3.88Å; M33-F220 HydrophobicContact CE-CD2 3.84Å; M33-F220 HydrophobicContact CE-CG 4.29Å; M33-F220 HydrophobicContact SD-CD2 3.82Å; M33-T223 HydrophobicContact CG-CG2 4.45Å; M33-T223 WeakPolarHBondContact CG-OG1 3.31Å
34	V	98.6	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-50.3	179	176.2	0	0	0	0	111.2	R30 L31 F32 W36 L37 K38 E82 I85 L97 L176 C179	R30-V34 WeakPolarHBondContact O-CG2 3.3Å; R30-V34 PolarHBondContact O-N 2.77Å; L31-V34 PolarHBondContact O-N 3.44Å; F32-V34 VanDerWaalsContact C-N 3.32Å; F32-V34 PolarHBondContact O-N 3.12Å; V34-W36 VanDerWaalsContact C-N 3.31Å; V34-W36 PolarHBondContact O-N 3.45Å; V34-L37 PolarHBondContact O-N 2.96Å; V34-K38 VanDerWaalsContact O-CG 3.3Å; V34-K38 WeakPolarHBondContact O-CG 3.31Å; V34-K38 PolarHBondContact O-N 2.78Å; V34-E82 HydrophobicContact CG2-CG 4.37Å; V34-I85 HydrophobicContact CG1-CB 4.34Å; V34-I85 HydrophobicContact CG1-CD1 4.38Å; V34-I85 HydrophobicContact CG1-CG2 3.7Å; V34-L97 HydrophobicContact CG1-CD1 4.21Å; V34-L176 HydrophobicContact CB-CD2 4.42Å; V34-L176 HydrophobicContact CG1-CD2 3.86Å; V34-L176 HydrophobicContact CG2-CD2 3.63Å; V34-C179 HydrophobicContact CG2-CB 3.88Å
35	L	98.4	Very high	97.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-38.3	179.3	-72	171.7	0	0	0	112.1	I9 L11 L31 F32 K38 G39 V40 F42 L68 I85 L89	I9-L35 HydrophobicContact CG2-CD1 4.23Å; I9-L35 HydrophobicContact CG2-CD2 4.04Å; L11-L35 HydrophobicContact CB-CD1 3.93Å; L11-L35 HydrophobicContact CD2-CD1 4.21Å; L11-L35 HydrophobicContact CG-CD1 4.45Å; L31-L35 PolarHBondContact O-N 2.85Å; F32-L35 PolarHBondContact O-N 2.88Å; L35-K38 WeakPolarHBondContact O-CB 3.42Å; L35-K38 PolarHBondContact O-N 3.3Å; L35-G39 PolarHBondContact O-N 2.88Å; L35-V40 HydrophobicContact CD2-CG1 3.97Å; L35-F42 HydrophobicContact CB-CD1 3.79Å; L35-F42 HydrophobicContact CB-CD2 4.17Å; L35-F42 HydrophobicContact CB-CE1 3.6Å; L35-F42 HydrophobicContact CB-CE2 3.97Å; L35-F42 HydrophobicContact CB-CG 4.08Å; L35-F42 HydrophobicContact CB-CZ 3.69Å; L35-F42 HydrophobicContact CD1-CB 4.45Å; L35-F42 HydrophobicContact CD1-CD2 3.72Å; L35-F42 HydrophobicContact CD1-CE2 4.03Å; L35-F42 HydrophobicContact CD1-CG 4Å; L35-L68 HydrophobicContact CD1-CD1 3.9Å; L35-I85 HydrophobicContact CD2-CD1 3.81Å; L35-I85 HydrophobicContact CD2-CG1 4.15Å; L35-I85 HydrophobicContact CD2-CG2 4.27Å; L35-I85 HydrophobicContact CG-CD1 4.03Å; L35-L89 HydrophobicContact CD2-CD1 4.38Å
36	W	98.3	Very high	97	Very high	89 Å²	89	34.8 Å²	34.8	34%	0.337	20%	0.196	S	C	.	.	H	α-helix	trans	-62.1	-49.3	175.7	-160.2	-48.8	0	0	0	111.4	F32 M33 V34 K38 G39 E219 A222 T223	F32-W36 HydrophobicContact CD2-CE3 4.09Å; F32-W36 AromaticContact CE2-CE3 3.56Å; F32-W36 HydrophobicContact CE2-CE3 3.56Å; F32-W36 AromaticContact CE2-CZ3 3.87Å; F32-W36 HydrophobicContact CE2-CZ3 3.87Å; F32-W36 HydrophobicContact CZ-CE3 4.29Å; F32-W36 HydrophobicContact CZ-CZ3 4.15Å; F32-W36 WeakPolarHBondContact O-CB 3.45Å; F32-W36 PolarHBondContact O-N 2.87Å; M33-W36 PolarHBondContact O-N 2.89Å; V34-W36 VanDerWaalsContact C-N 3.31Å; V34-W36 PolarHBondContact O-N 3.45Å; W36-K38 PolarHBondContact O-N 3.34Å; W36-G39 PolarHBondContact O-N 3.39Å; W36-E219 HydrophobicContact CG-CB 4.31Å; W36-E219 HydrophobicContact CG-CG 3.98Å; W36-A222 HydrophobicContact CH2-CB 3.76Å; W36-A222 HydrophobicContact CZ3-CB 3.99Å; W36-T223 HydrophobicContact CE3-CG2 3.83Å; W36-T223 HydrophobicContact CZ3-CG2 4.12Å
37	L	98.3	Very high	96.8	Very high	24 Å²	24	34.4 Å²	34.4	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-27	178.6	-73.1	170.4	0	0	0	112.9	M33 V34 G39 P95 L97 L174 C179 E219	M33-L37 WeakPolarHBondContact O-CB 3.25Å; M33-L37 WeakPolarHBondContact O-CG 3.48Å; M33-L37 PolarHBondContact O-N 3.37Å; V34-L37 PolarHBondContact O-N 2.96Å; L37-G39 PolarHBondContact O-N 3.33Å; L37-P95 VanDerWaalsContact O-CG 3.32Å; L37-P95 WeakPolarHBondContact O-CG 3.26Å; L37-L97 HydrophobicContact CB-CD1 3.62Å; L37-L97 HydrophobicContact CB-CD2 3.97Å; L37-L97 HydrophobicContact CB-CG 4.48Å; L37-L174 HydrophobicContact CD1-CB 3.72Å; L37-L174 HydrophobicContact CD1-CD1 4.39Å; L37-L174 HydrophobicContact CD2-CB 4.02Å; L37-L174 HydrophobicContact CD2-CD1 4.07Å; L37-C179 WeakPolarHBondContact CD1-SG 3.21Å; L37-E219 HydrophobicContact CD2-CB 4.22Å; L37-E219 HydrophobicContact CD2-CG 3.79Å; L37-E219 HydrophobicContact CG-CB 4.36Å; L37-E219 HydrophobicContact CG-CG 4.26Å
38	K	97.7	Very high	96.3	Very high	3 Å²	3	31 Å²	31	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-21.5	170.7	-72.3	-66.8	-177.3	-179.9	0	112.6	V34 L35 W36 V40 I85 E86 L89 Y94 P95 L97	V34-K38 VanDerWaalsContact O-CG 3.3Å; V34-K38 WeakPolarHBondContact O-CG 3.31Å; V34-K38 PolarHBondContact O-N 2.78Å; L35-K38 WeakPolarHBondContact O-CB 3.42Å; L35-K38 PolarHBondContact O-N 3.3Å; W36-K38 PolarHBondContact O-N 3.34Å; K38-V40 HydrophobicContact CB-CG1 4.39Å; K38-V40 PolarHBondContact O-N 3.28Å; K38-I85 HydrophobicContact CD-CG2 4.5Å; K38-I85 HydrophobicContact CG-CG2 3.91Å; K38-E86 VanDerWaalsContact CE-OE2 3.26Å; K38-E86 WeakPolarHBondContact CE-OE2 3.35Å; K38-E86 IonicContact NZ-OE2 3.52Å; K38-E86 PolarHBondContact NZ-OE2 2.96Å; K38-L89 HydrophobicContact CB-CD1 4.19Å; K38-L89 HydrophobicContact CD-CB 3.93Å; K38-L89 WeakPolarHBondContact CD-O 3.38Å; K38-L89 WeakPolarHBondContact CE-O 3.47Å; K38-L89 HydrophobicContact CG-CB 4.31Å; K38-L89 HydrophobicContact CG-CD1 4.21Å; K38-L89 PolarHBondContact NZ-O 3.37Å; K38-Y94 WeakPolarHBondContact O-CD1 3.46Å; K38-P95 PolarHBondContact NZ-O 3.39Å; K38-P95 WeakPolarHBondContact O-CD 3.43Å; K38-L97 HydrophobicContact CD-CD1 3.96Å; K38-L97 HydrophobicContact CD-CG 4.27Å; K38-L97 HydrophobicContact CG-CD1 3.97Å
39	G	96.3	Very high	95.5	Very high	61 Å²	61	34 Å²	34	63%	0.629	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	22.5	-177.7	0	0	0	0	0	113.3	L35 W36 L37	L35-G39 PolarHBondContact O-N 2.88Å; W36-G39 PolarHBondContact O-N 3.39Å; L37-G39 PolarHBondContact O-N 3.33Å
40	V	95.9	Very high	94.7	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.085	22%	0.222	C	C	.	.			trans	-84.8	154	176	71.5	0	0	0	0	110.2	I9 L35 K38 F42 L89 Y94	I9-V40 HydrophobicContact CD1-CB 4.41Å; I9-V40 HydrophobicContact CD1-CG1 3.99Å; I9-V40 HydrophobicContact CD1-CG2 3.57Å; L35-V40 HydrophobicContact CD2-CG1 3.97Å; K38-V40 HydrophobicContact CB-CG1 4.39Å; K38-V40 PolarHBondContact O-N 3.28Å; V40-F42 HydrophobicContact CG1-CD1 4.16Å; V40-F42 WeakPolarHBondContact O-CD1 3.43Å; V40-L89 HydrophobicContact CB-CD1 4.05Å; V40-L89 HydrophobicContact CG1-CD1 3.8Å; V40-L89 HydrophobicContact CG2-CD1 4.28Å; V40-Y94 HydrophobicContact CB-CE1 3.98Å; V40-Y94 HydrophobicContact CG2-CE1 4.07Å
41	V	95.8	Very high	93.5	Very high	124 Å²	124	48.2 Å²	48.2	75%	0.752	25%	0.252	S	S	*	.			trans	-81.2	126.3	170.2	-178.9	0	0	0	0	108.6
42	F	97.3	Very high	91.9	Very high	37 Å²	37	55.5 Å²	55.5	16%	0.162	28%	0.283	C	S	.	.			trans	-148.3	154.9	177.4	66.3	-77.3	0	0	0	110.7	I9 L11 F32 L35 V40 V44	I9-F42 HydrophobicContact CB-CB 3.81Å; I9-F42 HydrophobicContact CG2-CB 3.79Å; I9-F42 VanDerWaalsContact O-CA 3.26Å; I9-F42 WeakPolarHBondContact O-CA 3.46Å; I9-F42 WeakPolarHBondContact O-CB 3.34Å; L11-F42 HydrophobicContact CB-CD2 4.44Å; F32-F42 AromaticContact CD2-CE2 3.63Å; F32-F42 HydrophobicContact CD2-CE2 3.63Å; F32-F42 AromaticContact CD2-CZ 3.54Å; F32-F42 HydrophobicContact CD2-CZ 3.54Å; F32-F42 AromaticContact CE2-CE2 3.65Å; F32-F42 HydrophobicContact CE2-CE2 3.65Å; F32-F42 AromaticContact CE2-CZ 3.51Å; F32-F42 HydrophobicContact CE2-CZ 3.51Å; L35-F42 HydrophobicContact CB-CD1 3.79Å; L35-F42 HydrophobicContact CB-CD2 4.17Å; L35-F42 HydrophobicContact CB-CE1 3.6Å; L35-F42 HydrophobicContact CB-CE2 3.97Å; L35-F42 HydrophobicContact CB-CG 4.08Å; L35-F42 HydrophobicContact CB-CZ 3.69Å; L35-F42 HydrophobicContact CD1-CB 4.45Å; L35-F42 HydrophobicContact CD1-CD2 3.72Å; L35-F42 HydrophobicContact CD1-CE2 4.03Å; L35-F42 HydrophobicContact CD1-CG 4Å; V40-F42 HydrophobicContact CG1-CD1 4.16Å; V40-F42 WeakPolarHBondContact O-CD1 3.43Å; F42-V44 HydrophobicContact CD2-CG2 3.78Å; F42-V44 HydrophobicContact CE2-CG2 3.41Å; F42-V44 VanDerWaalsContact CE2-CG2 3.41Å
43	D	97.1	Very high	90.3	Very high	82 Å²	82	56.9 Å²	56.9	44%	0.439	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	152	171.3	-67.4	-39.9	0	0	0	110.4	K8 I9 E10 L11	K8-D43 WeakPolarHBondContact CE-OD2 3.32Å; K8-D43 IonicContact NZ-OD2 2.98Å; K8-D43 PolarHBondContact NZ-OD2 2.89Å; I9-D43 PolarHBondContact O-N 3.17Å; E10-D43 WeakPolarHBondContact CA-O 3.36Å; E10-D43 HydrophobicContact CB-CB 4.35Å; E10-D43 HydrophobicContact CG-CB 3.95Å; L11-D43 PolarHBondContact N-O 3.44Å
44	V	95.8	Very high	88.8	Confident	51 Å²	51	63 Å²	63	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.2	172	-179.3	0	0	0	0	109.3	L11 V13 F32 F42	L11-V44 WeakPolarHBondContact O-CA 3.31Å; V13-V44 HydrophobicContact CG1-CG1 4.13Å; V13-V44 HydrophobicContact CG2-CG1 3.73Å; F32-V44 HydrophobicContact CD1-CG2 4.41Å; F32-V44 HydrophobicContact CD2-CG2 4.29Å; F32-V44 HydrophobicContact CE1-CG1 4.2Å; F32-V44 HydrophobicContact CE1-CG2 3.99Å; F32-V44 HydrophobicContact CE2-CG2 3.87Å; F32-V44 HydrophobicContact CZ-CG2 3.71Å; F42-V44 HydrophobicContact CD2-CG2 3.78Å; F42-V44 HydrophobicContact CE2-CG2 3.41Å; F42-V44 VanDerWaalsContact CE2-CG2 3.41Å
45	T	93.9	Very high	87.2	Confident	51 Å²	51	69 Å²	69	31%	0.313	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.3	178.2	-67.3	0	0	0	0	109.7	E10 L11 F12 V13	E10-T45 WeakPolarHBondContact OE1-CB 3.16Å; E10-T45 PolarHBondContact OE1-OG1 3.26Å; L11-T45 PolarHBondContact O-N 3.42Å; F12-T45 CarbonylContact C-O 3.17Å; F12-T45 VanDerWaalsContact CA-O 3.31Å; F12-T45 WeakPolarHBondContact CA-O 3.36Å; F12-T45 HydrophobicContact CD1-CG2 3.77Å; F12-T45 HydrophobicContact CE1-CG2 3.72Å; V13-T45 PolarHBondContact N-O 2.88Å
46	T	92.8	Very high	85.8	Confident	44 Å²	44	70.1 Å²	70.1	27%	0.27	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.2	175.8	54.8	0	0	0	0	110.2	V13 L20 I22	V13-T46 HydrophobicContact CG2-CG2 3.76Å; V13-T46 CarbonylContact O-C 3.56Å; V13-T46 WeakPolarHBondContact O-CA 3.49Å; L20-T46 WeakPolarHBondContact O-CB 3.25Å; L20-T46 WeakPolarHBondContact O-CG2 2.95Å; L20-T46 PolarHBondContact O-OG1 3.21Å; I22-T46 HydrophobicContact CG1-CG2 4.45Å
47	V	90.1	Very high	84.6	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.2	-175.3	172.3	0	0	0	0	110.2	F12 V13 A15 M49 L56 P65	F12-V47 HydrophobicContact CB-CG2 4.04Å; F12-V47 HydrophobicContact CD1-CG2 3.91Å; F12-V47 HydrophobicContact CG-CG2 4.48Å; V13-V47 PolarHBondContact O-N 3.3Å; A15-V47 VanDerWaalsContact CB-C 3.42Å; A15-V47 VanDerWaalsContact CB-O 3.31Å; A15-V47 WeakPolarHBondContact CB-O 3.21Å; A15-V47 PolarHBondContact N-O 2.86Å; V47-M49 HydrophobicContact CG1-SD 3.73Å; V47-M49 PolarHBondContact O-N 3.49Å; V47-L56 HydrophobicContact CB-CD1 4.25Å; V47-L56 HydrophobicContact CG1-CD1 3.31Å; V47-L56 HydrophobicContact CG2-CD1 3.97Å; V47-L56 HydrophobicContact CG2-CD2 4.3Å; V47-P65 HydrophobicContact CB-CG 3.77Å; V47-P65 HydrophobicContact CG1-CG 3.78Å; V47-P65 HydrophobicContact CG2-CG 4.29Å
48	D	87.6	Confident	83.4	Confident	17 Å²	17	75.2 Å²	75.2	9%	0.091	40%	0.398	C	S	.	.			trans	-78.2	101.2	169.3	-170.3	-12.7	0	0	0	110.5	A15 R50 K51	A15-D48 HydrophobicContact CB-CB 4.35Å; D48-R50 PolarHBondContact O-N 3.5Å; D48-R50 VanDerWaalsContact OD1-CB 3.25Å; D48-R50 WeakPolarHBondContact OD1-CB 3.4Å; D48-R50 WeakPolarHBondContact OD1-CG 3.26Å; D48-R50 IonicContact OD1-CZ 3.26Å; D48-R50 PolarHBondContact OD1-N 3.1Å; D48-R50 IonicContact OD1-NE 2.65Å; D48-R50 PolarHBondContact OD1-NE 3.43Å; D48-R50 IonicContact OD1-NH2 2.75Å; D48-R50 IonicContact OD2-CZ 3.52Å; D48-R50 IonicContact OD2-NE 3.7Å; D48-R50 PolarHBondContact OD2-NE 2.76Å; D48-R50 IonicContact OD2-NH2 3.11Å; D48-R50 PolarHBondContact OD2-NH2 2.92Å; D48-K51 HydrophobicContact CB-CB 4.44Å; D48-K51 PolarHBondContact O-N 2.76Å
49	M	80.1	Confident	82.5	Confident	64 Å²	64	77.2 Å²	77.2	32%	0.315	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.5	179.5	-62.7	-57.7	-60.5	0	0	114.1	V47 P65	V47-M49 HydrophobicContact CG1-SD 3.73Å; V47-M49 PolarHBondContact O-N 3.49Å; M49-P65 WeakPolarHBondContact SD-CD 3.3Å; M49-P65 HydrophobicContact SD-CG 3.6Å; M49-P65 VanDerWaalsContact SD-CG 3.6Å
50	R	80.9	Confident	81.5	Confident	163 Å²	163	74.8 Å²	74.8	62%	0.615	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-27.3	177.5	-58.3	167.5	-67.1	-168.3	1.2	112.1	S17 D48	S17-R50 VanDerWaalsContact O-CZ 3.31Å; S17-R50 PolarHBondContact O-NH1 3.31Å; S17-R50 PolarHBondContact O-NH2 2.94Å; D48-R50 PolarHBondContact O-N 3.5Å; D48-R50 VanDerWaalsContact OD1-CB 3.25Å; D48-R50 WeakPolarHBondContact OD1-CB 3.4Å; D48-R50 WeakPolarHBondContact OD1-CG 3.26Å; D48-R50 IonicContact OD1-CZ 3.26Å; D48-R50 PolarHBondContact OD1-N 3.1Å; D48-R50 IonicContact OD1-NE 2.65Å; D48-R50 PolarHBondContact OD1-NE 3.43Å; D48-R50 IonicContact OD1-NH2 2.75Å; D48-R50 IonicContact OD2-CZ 3.52Å; D48-R50 IonicContact OD2-NE 3.7Å; D48-R50 PolarHBondContact OD2-NE 2.76Å; D48-R50 IonicContact OD2-NH2 3.11Å; D48-R50 PolarHBondContact OD2-NH2 2.92Å
51	K	73	Confident	80.6	Confident	159 Å²	159	79 Å²	79	69%	0.691	41%	0.41	S	S	*	.	S	Bend	trans	-103	-0.1	-170.5	-68.9	-176.7	-179.8	173.9	0	114.4	D48 P53	D48-K51 HydrophobicContact CB-CB 4.44Å; D48-K51 PolarHBondContact O-N 2.76Å; K51-P53 VanDerWaalsContact O-N 3.09Å
52	K	64.8	Low	79.6	Confident	153 Å²	153	76.3 Å²	76.3	67%	0.665	41%	0.408	S	S	*	.			trans	20.4	71	-178.2	-73.2	-168.2	-179.9	-177.2	0	112.9	D54	K52-D54 PolarHBondContact O-N 3.15Å
53	P	65.1	Low	78.8	Confident	52 Å²	52	75.8 Å²	75.8	34%	0.338	41%	0.41	S	S	.	.			trans	-53.2	134.5	-179.6	-8.6	5.7	0	0	0	110.6	K51 I55 L56	K51-P53 VanDerWaalsContact O-N 3.09Å; P53-I55 PolarHBondContact O-N 3.1Å; P53-I55 VanDerWaalsContact O-N 3.12Å; P53-L56 HydrophobicContact CB-CG 4.33Å; P53-L56 HydrophobicContact CG-CD1 3.73Å; P53-L56 HydrophobicContact CG-CG 4.03Å; P53-L56 WeakPolarHBondContact O-CB 3.44Å; P53-L56 PolarHBondContact O-N 2.57Å
54	D	67.3	Low	78.1	Confident	129 Å²	129	78 Å²	78	69%	0.69	42%	0.417	S	S	*	.	H	α-helix	trans	-54.9	-34.6	-178.8	-64.5	-45.1	0	0	0	112.1	K52 L56 N57 D58	K52-D54 PolarHBondContact O-N 3.15Å; D54-L56 PolarHBondContact O-N 2.79Å; D54-N57 WeakPolarHBondContact O-CB 3.19Å; D54-N57 PolarHBondContact O-N 2.86Å; D54-D58 PolarHBondContact O-N 3Å
55	I	64.2	Low	77.8	Confident	127 Å²	127	76.5 Å²	76.5	65%	0.651	41%	0.409	S	S	*	.	H	α-helix	trans	-54.5	-35.1	174.5	-65.4	167.1	0	0	0	112.4	P53 L59	P53-I55 PolarHBondContact O-N 3.1Å; P53-I55 VanDerWaalsContact O-N 3.12Å; I55-L59 WeakPolarHBondContact O-CB 3.29Å; I55-L59 PolarHBondContact O-N 2.9Å
56	L	70.1	Confident	77.8	Confident	24 Å²	24	74.6 Å²	74.6	13%	0.126	40%	0.397	C	S	.	.	H	α-helix	trans	-74.6	-28.7	178.4	-66.7	-177.8	0	0	0	112.8	F12 V47 P53 D54 D58 A60 F67	F12-L56 HydrophobicContact CD1-CD2 4.21Å; F12-L56 HydrophobicContact CE1-CD2 4.3Å; V47-L56 HydrophobicContact CB-CD1 4.25Å; V47-L56 HydrophobicContact CG1-CD1 3.31Å; V47-L56 HydrophobicContact CG2-CD1 3.97Å; V47-L56 HydrophobicContact CG2-CD2 4.3Å; P53-L56 HydrophobicContact CB-CG 4.33Å; P53-L56 HydrophobicContact CG-CD1 3.73Å; P53-L56 HydrophobicContact CG-CG 4.03Å; P53-L56 WeakPolarHBondContact O-CB 3.44Å; P53-L56 PolarHBondContact O-N 2.57Å; D54-L56 PolarHBondContact O-N 2.79Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-A60 CarbonylContact O-C 3.21Å; L56-A60 WeakPolarHBondContact O-CA 3.15Å; L56-A60 PolarHBondContact O-N 3.28Å; L56-F67 HydrophobicContact CD2-CZ 3.71Å
57	N	71.8	Confident	77.9	Confident	74 Å²	74	72.6 Å²	72.6	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-69.5	-35.5	175.9	-67.3	-39.6	0	0	0	111	D54 P61	D54-N57 WeakPolarHBondContact O-CB 3.19Å; D54-N57 PolarHBondContact O-N 2.86Å; N57-P61 WeakPolarHBondContact O-CA 3.48Å; N57-P61 WeakPolarHBondContact O-CB 3.46Å; N57-P61 WeakPolarHBondContact O-CD 3.29Å; N57-P61 WeakPolarHBondContact O-CG 3.49Å
58	D	74.9	Confident	78.2	Confident	145 Å²	145	72.4 Å²	72.4	78%	0.775	38%	0.384	S	S	*	.	H	α-helix	trans	-77.9	-40.5	177.1	-66.7	-22.8	0	0	0	111.7	D54 L56	D54-D58 PolarHBondContact O-N 3Å; L56-D58 VanDerWaalsContact C-N 3.32Å
59	L	78.1	Confident	78.5	Confident	46 Å²	46	73.3 Å²	73.3	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-73.6	-48.6	-177.8	-176.3	66	0	0	0	112.4	F12 I55 F67 V74	F12-L59 HydrophobicContact CE1-CD2 4.09Å; F12-L59 HydrophobicContact CE2-CD2 3.77Å; F12-L59 HydrophobicContact CZ-CD2 3.45Å; F12-L59 VanDerWaalsContact CZ-CD2 3.45Å; I55-L59 WeakPolarHBondContact O-CB 3.29Å; I55-L59 PolarHBondContact O-N 2.9Å; L59-F67 HydrophobicContact CD2-CE2 4.24Å; L59-V74 HydrophobicContact CD1-CG2 3.9Å; L59-V74 HydrophobicContact CG-CG2 3.97Å; L59-V74 WeakPolarHBondContact O-CG2 3.48Å
60	A	75.3	Confident	79.3	Confident	10 Å²	10	72.4 Å²	72.4	8%	0.083	38%	0.381	C	S	.	.	S	Bend	trans	-147.4	69.1	-171.8	0	0	0	0	0	111.2	L56 G62 A63 F67 V74	L56-A60 CarbonylContact O-C 3.21Å; L56-A60 WeakPolarHBondContact O-CA 3.15Å; L56-A60 PolarHBondContact O-N 3.28Å; A60-G62 PolarHBondContact O-N 3.05Å; A60-A63 HydrophobicContact CB-CB 3.6Å; A60-A63 WeakPolarHBondContact O-CB 3.27Å; A60-A63 PolarHBondContact O-N 3.2Å; A60-F67 HydrophobicContact CB-CD2 4.24Å; A60-F67 HydrophobicContact CB-CE2 4.06Å; A60-F67 HydrophobicContact CB-CZ 4.42Å; A60-V74 HydrophobicContact CB-CG1 3.85Å; A60-V74 HydrophobicContact CB-CG2 4.48Å
61	P	76.4	Confident	79.8	Confident	103 Å²	103	65.9 Å²	65.9	67%	0.669	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	116.3	-173.1	3.1	-9.2	0	0	0	112.2	N57 A63	N57-P61 WeakPolarHBondContact O-CA 3.48Å; N57-P61 WeakPolarHBondContact O-CB 3.46Å; N57-P61 WeakPolarHBondContact O-CD 3.29Å; N57-P61 WeakPolarHBondContact O-CG 3.49Å; P61-A63 VanDerWaalsContact C-N 3.27Å; P61-A63 PolarHBondContact O-N 3.44Å
62	G	75.4	Confident	80.6	Confident	67 Å²	67	63.9 Å²	63.9	69%	0.691	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-2.6	179.3	0	0	0	0	0	115.7	A60	A60-G62 PolarHBondContact O-N 3.05Å
63	A	79.3	Confident	81.9	Confident	26 Å²	26	61.5 Å²	61.5	22%	0.215	36%	0.362	C	S	.	.			trans	-64.6	141	175.8	0	0	0	0	0	111.1	A60 P61 F67 T76	A60-A63 HydrophobicContact CB-CB 3.6Å; A60-A63 WeakPolarHBondContact O-CB 3.27Å; A60-A63 PolarHBondContact O-N 3.2Å; P61-A63 VanDerWaalsContact C-N 3.27Å; P61-A63 PolarHBondContact O-N 3.44Å; A63-F67 HydrophobicContact CB-CD1 4.18Å; A63-F67 HydrophobicContact CB-CG 4.43Å; A63-T76 HydrophobicContact CB-CG2 3.93Å
64	Q	83.4	Confident	83.2	Confident	127 Å²	127	61.2 Å²	61.2	59%	0.593	36%	0.359	S	S	*	.			trans	-105.1	137.1	175.1	-62.7	-69.9	-52.9	0	0	108.5
65	P	88.8	Confident	84.5	Confident	21 Å²	21	57.6 Å²	57.6	14%	0.136	34%	0.337	C	S	.	.	S	Bend	trans	-58.1	142.6	172.2	-23.8	33	0	0	0	112.1	K14 V47 M49 F67	K14-P65 HydrophobicContact CB-CB 4.33Å; V47-P65 HydrophobicContact CB-CG 3.77Å; V47-P65 HydrophobicContact CG1-CG 3.78Å; V47-P65 HydrophobicContact CG2-CG 4.29Å; M49-P65 WeakPolarHBondContact SD-CD 3.3Å; M49-P65 HydrophobicContact SD-CG 3.6Å; M49-P65 VanDerWaalsContact SD-CG 3.6Å; P65-F67 HydrophobicContact CG-CE1 4.25Å
66	P	94.4	Very high	85.9	Confident	10 Å²	10	55.2 Å²	55.2	7%	0.065	33%	0.328	C	S	.	.	S	Bend	cis	-83.5	147.3	1.2	34.5	-35.2	0	0	0	113.8	F12 F27 L31	F12-P66 VanDerWaalsContact O-CA 3.26Å; F12-P66 WeakPolarHBondContact O-CA 3.38Å; F27-P66 HydrophobicContact CB-CG 3.9Å; L31-P66 HydrophobicContact CD1-CB 3.92Å; L31-P66 HydrophobicContact CD1-CG 3.94Å
67	F	95.1	Very high	87	Confident	3 Å²	3	57.9 Å²	57.9	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.4	165.7	60.9	-89.1	0	0	0	109.8	F12 L56 L59 A60 A63 P65 V74 K75 T76	F12-F67 HydrophobicContact CB-CD1 3.98Å; F12-F67 HydrophobicContact CB-CD2 3.87Å; F12-F67 HydrophobicContact CB-CE1 3.56Å; F12-F67 HydrophobicContact CB-CE2 3.46Å; F12-F67 VanDerWaalsContact CB-CE2 3.46Å; F12-F67 HydrophobicContact CB-CG 4.11Å; F12-F67 HydrophobicContact CB-CZ 3.25Å; F12-F67 AromaticContact CD1-CE2 3.88Å; F12-F67 HydrophobicContact CD1-CE2 3.88Å; F12-F67 AromaticContact CD1-CZ 3.68Å; F12-F67 HydrophobicContact CD1-CZ 3.68Å; F12-F67 AromaticContact CD2-CD2 3.69Å; F12-F67 HydrophobicContact CD2-CD2 3.69Å; F12-F67 AromaticContact CD2-CE2 3.2Å; F12-F67 HydrophobicContact CD2-CE2 3.2Å; F12-F67 AromaticContact CD2-CZ 3.84Å; F12-F67 HydrophobicContact CD2-CZ 3.84Å; F12-F67 HydrophobicContact CE1-CE2 4.44Å; F12-F67 HydrophobicContact CE1-CZ 4.48Å; F12-F67 AromaticContact CE2-CE2 3.86Å; F12-F67 HydrophobicContact CE2-CE2 3.86Å; F12-F67 AromaticContact CG-CD2 3.95Å; F12-F67 HydrophobicContact CG-CD2 3.95Å; F12-F67 HydrophobicContact CG-CE1 4.14Å; F12-F67 AromaticContact CG-CE2 3.21Å; F12-F67 HydrophobicContact CG-CE2 3.21Å; F12-F67 AromaticContact CG-CZ 3.3Å; F12-F67 HydrophobicContact CG-CZ 3.3Å; F12-F67 HydrophobicContact CZ-CE2 4.43Å; F12-F67 PolarHBondContact N-O 2.75Å; F12-F67 PolarHBondContact O-N 3.4Å; L56-F67 HydrophobicContact CD2-CZ 3.71Å; L59-F67 HydrophobicContact CD2-CE2 4.24Å; A60-F67 HydrophobicContact CB-CD2 4.24Å; A60-F67 HydrophobicContact CB-CE2 4.06Å; A60-F67 HydrophobicContact CB-CZ 4.42Å; A63-F67 HydrophobicContact CB-CD1 4.18Å; A63-F67 HydrophobicContact CB-CG 4.43Å; P65-F67 HydrophobicContact CG-CE1 4.25Å; F67-V74 HydrophobicContact CD2-CG1 3.99Å; F67-K75 WeakPolarHBondContact CA-O 3.46Å; F67-K75 WeakPolarHBondContact CB-O 3.27Å; F67-T76 HydrophobicContact CB-CG2 4.26Å
68	L	96.2	Very high	88.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.8	-175.6	-176	76.6	0	0	0	109.5	I9 L11 L35 V74 K75 I81 F84 I85	I9-L68 HydrophobicContact CG2-CD1 3.73Å; L11-L68 HydrophobicContact CB-CD1 4.23Å; L11-L68 HydrophobicContact CD1-CD1 4.18Å; L35-L68 HydrophobicContact CD1-CD1 3.9Å; L68-V74 CarbonylContact O-C 3.51Å; L68-V74 WeakPolarHBondContact O-CA 3.13Å; L68-K75 HydrophobicContact CB-CB 4.38Å; L68-K75 PolarHBondContact N-O 3.44Å; L68-K75 PolarHBondContact O-N 3.02Å; L68-I81 HydrophobicContact CB-CD1 4.41Å; L68-I81 HydrophobicContact CB-CG1 4.38Å; L68-I81 HydrophobicContact CB-CG2 3.75Å; L68-I81 HydrophobicContact CD2-CG2 3.85Å; L68-I81 HydrophobicContact CG-CG2 4.37Å; L68-F84 HydrophobicContact CD2-CD1 4.26Å; L68-F84 HydrophobicContact CD2-CE1 4.37Å; L68-I85 HydrophobicContact CD2-CD1 4.13Å; L68-I85 HydrophobicContact CD2-CG1 3.98Å
69	Q	94.8	Very high	89.2	Confident	36 Å²	36	52.1 Å²	52.1	17%	0.168	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.8	163.2	-178.3	177.9	-12.1	0	0	109.1	I9 E10 F12 G71 E73	I9-Q69 WeakPolarHBondContact CA-O 3.17Å; E10-Q69 HydrophobicContact CB-CB 4.39Å; E10-Q69 PolarHBondContact N-O 3.34Å; E10-Q69 PolarHBondContact O-N 3.34Å; F12-Q69 HydrophobicContact CE2-CB 3.92Å; Q69-G71 WeakPolarHBondContact CG-O 3.45Å; Q69-G71 PolarHBondContact NE2-O 2.97Å; Q69-E73 WeakPolarHBondContact CA-O 3.19Å
70	Y	95	Very high	90.1	Very high	45 Å²	45	56.4 Å²	56.4	18%	0.176	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	103.6	176.2	-171.6	-89.3	0	0	0	109	P7 I9 S72 E73 F84 T88 L89	P7-Y70 HydrophobicContact CB-CD1 4.08Å; P7-Y70 HydrophobicContact CB-CE1 3.75Å; P7-Y70 HydrophobicContact CG-CD1 4.13Å; P7-Y70 HydrophobicContact CG-CE1 3.33Å; P7-Y70 HydrophobicContact CG-CE2 3.86Å; P7-Y70 WeakPolarHBondContact CG-OH 3.17Å; I9-Y70 HydrophobicContact CD1-CD2 3.97Å; I9-Y70 HydrophobicContact CD1-CE2 3.73Å; I9-Y70 HydrophobicContact CG1-CD2 3.75Å; I9-Y70 HydrophobicContact CG1-CE2 3.87Å; Y70-S72 PolarHBondContact O-N 3.31Å; Y70-E73 PolarHBondContact N-O 3.36Å; Y70-E73 PolarHBondContact O-N 3.04Å; Y70-E73 VanDerWaalsContact O-N 3.07Å; Y70-F84 HydrophobicContact CD1-CE1 4.1Å; Y70-F84 AromaticContact CD1-CZ 3.67Å; Y70-F84 HydrophobicContact CD1-CZ 3.67Å; Y70-F84 AromaticContact CD2-CE1 3.8Å; Y70-F84 HydrophobicContact CD2-CE1 3.8Å; Y70-F84 HydrophobicContact CD2-CZ 4.17Å; Y70-F84 HydrophobicContact CE1-CZ 4.02Å; Y70-F84 HydrophobicContact CE2-CE1 4.34Å; Y70-F84 HydrophobicContact CE2-CZ 4.5Å; Y70-F84 AromaticContact CG-CE1 3.66Å; Y70-F84 HydrophobicContact CG-CE1 3.66Å; Y70-F84 AromaticContact CG-CZ 3.74Å; Y70-F84 HydrophobicContact CG-CZ 3.74Å; Y70-T88 HydrophobicContact CE1-CG2 4.3Å; Y70-T88 HydrophobicContact CE2-CG2 4.37Å; Y70-T88 WeakPolarHBondContact OH-CG2 3.46Å; Y70-L89 HydrophobicContact CE2-CD2 4.42Å
71	G	92	Very high	91.1	Very high	26 Å²	26	56 Å²	56	27%	0.268	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-116.4	-167.2	0	0	0	0	0	110.9	K8 Q69	K8-G71 PolarHBondContact O-N 3.43Å; Q69-G71 WeakPolarHBondContact CG-O 3.45Å; Q69-G71 PolarHBondContact NE2-O 2.97Å
72	S	89.5	Confident	92.2	Very high	116 Å²	116	52 Å²	52	81%	0.811	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.9	176	54.5	0	0	0	0	113.9	Y70	Y70-S72 PolarHBondContact O-N 3.31Å
73	E	91.9	Very high	93.2	Very high	104 Å²	104	55 Å²	55	49%	0.486	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.8	-176.2	-65.3	-171.4	179.3	0	0	111.7	Q69 Y70 K75	Q69-E73 WeakPolarHBondContact CA-O 3.19Å; Y70-E73 PolarHBondContact N-O 3.36Å; Y70-E73 PolarHBondContact O-N 3.04Å; Y70-E73 VanDerWaalsContact O-N 3.07Å; E73-K75 VanDerWaalsContact OE2-CE 3.3Å; E73-K75 WeakPolarHBondContact OE2-CE 3.47Å; E73-K75 IonicContact OE2-NZ 3.55Å; E73-K75 PolarHBondContact OE2-NZ 3.35Å
74	V	93.4	Very high	94.1	Very high	46 Å²	46	55.7 Å²	55.7	28%	0.279	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.2	169.9	177.8	0	0	0	0	110	L59 A60 F67 L68 T76	L59-V74 HydrophobicContact CD1-CG2 3.9Å; L59-V74 HydrophobicContact CG-CG2 3.97Å; L59-V74 WeakPolarHBondContact O-CG2 3.48Å; A60-V74 HydrophobicContact CB-CG1 3.85Å; A60-V74 HydrophobicContact CB-CG2 4.48Å; F67-V74 HydrophobicContact CD2-CG1 3.99Å; L68-V74 CarbonylContact O-C 3.51Å; L68-V74 WeakPolarHBondContact O-CA 3.13Å; V74-T76 HydrophobicContact CG1-CG2 4.31Å
75	K	94.6	Very high	94.8	Very high	53 Å²	53	49.7 Å²	49.7	23%	0.23	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.8	174	-53.2	-66.6	178.6	-176.1	0	108.8	F67 L68 E73 I81 F84	F67-K75 WeakPolarHBondContact CA-O 3.46Å; F67-K75 WeakPolarHBondContact CB-O 3.27Å; L68-K75 HydrophobicContact CB-CB 4.38Å; L68-K75 PolarHBondContact N-O 3.44Å; L68-K75 PolarHBondContact O-N 3.02Å; E73-K75 VanDerWaalsContact OE2-CE 3.3Å; E73-K75 WeakPolarHBondContact OE2-CE 3.47Å; E73-K75 IonicContact OE2-NZ 3.55Å; E73-K75 PolarHBondContact OE2-NZ 3.35Å; K75-I81 HydrophobicContact CB-CG1 3.79Å; K75-I81 WeakPolarHBondContact O-CD1 3.3Å; K75-F84 HydrophobicContact CG-CD1 4.17Å; K75-F84 HydrophobicContact CG-CE1 4.36Å; K75-F84 HydrophobicContact CG-CG 4.46Å
76	T	93.1	Very high	95.3	Very high	76 Å²	76	50.1 Å²	50.1	47%	0.466	26%	0.264	S	S	.	.			trans	-116.6	169.1	175.1	61.4	0	0	0	0	109.9	A63 F67 V74	A63-T76 HydrophobicContact CB-CG2 3.93Å; F67-T76 HydrophobicContact CB-CG2 4.26Å; V74-T76 HydrophobicContact CG1-CG2 4.31Å
77	D	94.3	Very high	95.4	Very high	80 Å²	80	53.4 Å²	53.4	43%	0.428	29%	0.288	S	S	.	.	S	Bend	trans	71.2	115	-172.1	-174.4	-65.5	0	0	0	112.6	N79 K80 I81	D77-N79 VanDerWaalsContact C-N 3.29Å; D77-N79 PolarHBondContact O-N 2.92Å; D77-N79 PolarHBondContact OD1-N 3.31Å; D77-K80 HydrophobicContact CB-CB 4.16Å; D77-K80 HydrophobicContact CB-CD 4.11Å; D77-K80 HydrophobicContact CB-CG 4.12Å; D77-K80 PolarHBondContact O-N 2.9Å; D77-K80 PolarHBondContact OD1-N 3.39Å; D77-K80 VanDerWaalsContact OD1-N 3.08Å; D77-I81 WeakPolarHBondContact O-CD1 3.45Å; D77-I81 WeakPolarHBondContact O-CG1 3.32Å; D77-I81 PolarHBondContact O-N 3.34Å
78	T	95.7	Very high	95.4	Very high	18 Å²	18	55.8 Å²	55.8	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-39.4	-174.6	-49.7	0	0	0	0	113.4	F27 L31 E82	F27-T78 HydrophobicContact CB-CG2 3.95Å; F27-T78 HydrophobicContact CD1-CG2 4.31Å; L31-T78 HydrophobicContact CD1-CG2 4.07Å; L31-T78 HydrophobicContact CD2-CG2 4.15Å; L31-T78 HydrophobicContact CG-CG2 3.91Å; T78-E82 PolarHBondContact O-N 3.29Å
79	N	95.8	Very high	95.4	Very high	81 Å²	81	55.9 Å²	55.9	43%	0.433	30%	0.303	S	S	.	.	H	α-helix	trans	-73.3	-43.2	-178	-63.8	-39.7	0	0	0	110.3	R30 D77 I81 E82 E83	R30-N79 PolarHBondContact NH1-OD1 2.91Å; D77-N79 VanDerWaalsContact C-N 3.29Å; D77-N79 PolarHBondContact O-N 2.92Å; D77-N79 PolarHBondContact OD1-N 3.31Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 3.28Å; N79-E82 PolarHBondContact O-N 2.66Å; N79-E83 WeakPolarHBondContact O-CG 3.45Å; N79-E83 PolarHBondContact O-N 3.06Å
80	K	97.1	Very high	95.3	Very high	136 Å²	136	56.8 Å²	56.8	59%	0.591	31%	0.313	S	S	*	.	H	α-helix	trans	-63.6	-37.1	176.1	-65	-175.1	-178.6	178.5	0	112.5	D77 F84	D77-K80 HydrophobicContact CB-CB 4.16Å; D77-K80 HydrophobicContact CB-CD 4.11Å; D77-K80 HydrophobicContact CB-CG 4.12Å; D77-K80 PolarHBondContact O-N 2.9Å; D77-K80 PolarHBondContact OD1-N 3.39Å; D77-K80 VanDerWaalsContact OD1-N 3.08Å; K80-F84 VanDerWaalsContact O-CB 3.27Å; K80-F84 WeakPolarHBondContact O-CB 3.34Å; K80-F84 PolarHBondContact O-N 2.98Å
81	I	98	Very high	95.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-45.5	174.8	-65.7	161.6	0	0	0	110.2	L31 L68 K75 D77 N79 F84 I85	L31-I81 HydrophobicContact CD1-CB 4.08Å; L31-I81 HydrophobicContact CD1-CD1 3.85Å; L31-I81 HydrophobicContact CD1-CG2 3.79Å; L31-I81 HydrophobicContact CD2-CB 4.14Å; L31-I81 HydrophobicContact CD2-CG2 3.8Å; L31-I81 HydrophobicContact CG-CG2 4.4Å; L68-I81 HydrophobicContact CB-CD1 4.41Å; L68-I81 HydrophobicContact CB-CG1 4.38Å; L68-I81 HydrophobicContact CB-CG2 3.75Å; L68-I81 HydrophobicContact CD2-CG2 3.85Å; L68-I81 HydrophobicContact CG-CG2 4.37Å; K75-I81 HydrophobicContact CB-CG1 3.79Å; K75-I81 WeakPolarHBondContact O-CD1 3.3Å; D77-I81 WeakPolarHBondContact O-CD1 3.45Å; D77-I81 WeakPolarHBondContact O-CG1 3.32Å; D77-I81 PolarHBondContact O-N 3.34Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 3.28Å; I81-F84 WeakPolarHBondContact O-CB 3.43Å; I81-F84 PolarHBondContact O-N 3.5Å; I81-I85 HydrophobicContact CG2-CD1 3.75Å; I81-I85 HydrophobicContact CG2-CG1 4.34Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.36Å; I81-I85 PolarHBondContact O-N 2.93Å
82	E	98.3	Very high	95.4	Very high	20 Å²	20	63.9 Å²	63.9	9%	0.093	36%	0.36	C	S	.	.	H	α-helix	trans	-61.4	-46.9	177.2	-177	-179.1	93	0	0	112	R30 L31 V34 T78 N79 F84 I85 E86 L176	R30-E82 IonicContact CZ-OE1 3.35Å; R30-E82 IonicContact CZ-OE2 2.87Å; R30-E82 IonicContact NE-OE2 3.54Å; R30-E82 PolarHBondContact NE-OE2 2.78Å; R30-E82 IonicContact NH2-OE1 3.65Å; R30-E82 PolarHBondContact NH2-OE1 2.85Å; R30-E82 IonicContact NH2-OE2 2.55Å; R30-E82 PolarHBondContact NH2-OE2 2.95Å; L31-E82 HydrophobicContact CD2-CB 4.17Å; V34-E82 HydrophobicContact CG2-CG 4.37Å; T78-E82 PolarHBondContact O-N 3.29Å; N79-E82 PolarHBondContact O-N 2.66Å; E82-F84 VanDerWaalsContact C-N 3.29Å; E82-F84 PolarHBondContact O-N 2.72Å; E82-I85 PolarHBondContact O-N 3.22Å; E82-E86 WeakPolarHBondContact O-CB 3.33Å; E82-E86 PolarHBondContact O-N 2.75Å; E82-L176 HydrophobicContact CG-CD1 4.05Å; E82-L176 HydrophobicContact CG-CD2 3.84Å; E82-L176 HydrophobicContact CG-CG 4.42Å
83	E	97.6	Very high	95.6	Very high	131 Å²	131	64 Å²	64	61%	0.612	35%	0.346	S	S	*	.	H	α-helix	trans	-58.5	-41.4	175.7	-72.2	169.8	-169.7	0	0	111.7	N79 S87	N79-E83 WeakPolarHBondContact O-CG 3.45Å; N79-E83 PolarHBondContact O-N 3.06Å; E83-S87 WeakPolarHBondContact O-CB 3.26Å; E83-S87 PolarHBondContact O-N 3.39Å; E83-S87 PolarHBondContact O-OG 2.88Å
84	F	98	Very high	95.9	Very high	39 Å²	39	60.6 Å²	60.6	17%	0.171	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-46.4	175.3	172.6	-100.3	0	0	0	111.9	L68 Y70 K75 K80 I81 E82 S87 T88	L68-F84 HydrophobicContact CD2-CD1 4.26Å; L68-F84 HydrophobicContact CD2-CE1 4.37Å; Y70-F84 HydrophobicContact CD1-CE1 4.1Å; Y70-F84 AromaticContact CD1-CZ 3.67Å; Y70-F84 HydrophobicContact CD1-CZ 3.67Å; Y70-F84 AromaticContact CD2-CE1 3.8Å; Y70-F84 HydrophobicContact CD2-CE1 3.8Å; Y70-F84 HydrophobicContact CD2-CZ 4.17Å; Y70-F84 HydrophobicContact CE1-CZ 4.02Å; Y70-F84 HydrophobicContact CE2-CE1 4.34Å; Y70-F84 HydrophobicContact CE2-CZ 4.5Å; Y70-F84 AromaticContact CG-CE1 3.66Å; Y70-F84 HydrophobicContact CG-CE1 3.66Å; Y70-F84 AromaticContact CG-CZ 3.74Å; Y70-F84 HydrophobicContact CG-CZ 3.74Å; K75-F84 HydrophobicContact CG-CD1 4.17Å; K75-F84 HydrophobicContact CG-CE1 4.36Å; K75-F84 HydrophobicContact CG-CG 4.46Å; K80-F84 VanDerWaalsContact O-CB 3.27Å; K80-F84 WeakPolarHBondContact O-CB 3.34Å; K80-F84 PolarHBondContact O-N 2.98Å; I81-F84 WeakPolarHBondContact O-CB 3.43Å; I81-F84 PolarHBondContact O-N 3.5Å; E82-F84 VanDerWaalsContact C-N 3.29Å; E82-F84 PolarHBondContact O-N 2.72Å; F84-S87 PolarHBondContact O-N 3.22Å; F84-S87 PolarHBondContact O-OG 3.23Å; F84-S87 VanDerWaalsContact O-OG 3.1Å; F84-T88 WeakPolarHBondContact CD2-OG1 3.32Å; F84-T88 VanDerWaalsContact CE2-OG1 3.29Å; F84-T88 WeakPolarHBondContact CE2-OG1 3.4Å; F84-T88 HydrophobicContact CZ-CG2 4.28Å; F84-T88 WeakPolarHBondContact O-CB 3.35Å; F84-T88 PolarHBondContact O-N 3.02Å; F84-T88 PolarHBondContact O-OG1 3.08Å
85	I	97.9	Very high	96.1	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-45.5	177.5	-68.6	163.8	0	0	0	110.6	L31 V34 L35 K38 L68 I81 E82 S87 L89	L31-I85 HydrophobicContact CD2-CD1 4.42Å; V34-I85 HydrophobicContact CG1-CB 4.34Å; V34-I85 HydrophobicContact CG1-CD1 4.38Å; V34-I85 HydrophobicContact CG1-CG2 3.7Å; L35-I85 HydrophobicContact CD2-CD1 3.81Å; L35-I85 HydrophobicContact CD2-CG1 4.15Å; L35-I85 HydrophobicContact CD2-CG2 4.27Å; L35-I85 HydrophobicContact CG-CD1 4.03Å; K38-I85 HydrophobicContact CD-CG2 4.5Å; K38-I85 HydrophobicContact CG-CG2 3.91Å; L68-I85 HydrophobicContact CD2-CD1 4.13Å; L68-I85 HydrophobicContact CD2-CG1 3.98Å; I81-I85 HydrophobicContact CG2-CD1 3.75Å; I81-I85 HydrophobicContact CG2-CG1 4.34Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.36Å; I81-I85 PolarHBondContact O-N 2.93Å; E82-I85 PolarHBondContact O-N 3.22Å; I85-S87 PolarHBondContact O-N 2.93Å; I85-L89 HydrophobicContact CG2-CD1 4Å; I85-L89 HydrophobicContact CG2-CG 4.38Å; I85-L89 WeakPolarHBondContact O-CA 3.28Å; I85-L89 VanDerWaalsContact O-CB 3.3Å; I85-L89 WeakPolarHBondContact O-CB 3.5Å; I85-L89 PolarHBondContact O-N 3.35Å
86	E	97.8	Very high	96.2	Very high	29 Å²	29	67.3 Å²	67.3	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-65.3	-39.8	-178.1	-178.4	65	-177.4	0	0	112.4	K38 E82 R96 L97 A98 L176	K38-E86 VanDerWaalsContact CE-OE2 3.26Å; K38-E86 WeakPolarHBondContact CE-OE2 3.35Å; K38-E86 IonicContact NZ-OE2 3.52Å; K38-E86 PolarHBondContact NZ-OE2 2.96Å; E82-E86 WeakPolarHBondContact O-CB 3.33Å; E82-E86 PolarHBondContact O-N 2.75Å; E86-R96 WeakPolarHBondContact OE1-CG 3.3Å; E86-L97 PolarHBondContact OE1-N 3.39Å; E86-L97 PolarHBondContact OE2-N 3.46Å; E86-A98 HydrophobicContact CG-CB 4.39Å; E86-A98 WeakPolarHBondContact OE1-CB 3.39Å; E86-A98 PolarHBondContact OE1-N 3.09Å; E86-L176 HydrophobicContact CB-CD1 4.16Å; E86-L176 HydrophobicContact CG-CD1 4.05Å
87	S	97.1	Very high	96.4	Very high	80 Å²	80	64.3 Å²	64.3	56%	0.559	34%	0.336	S	S	*	.	H	α-helix	trans	-75.8	-36	179	55.3	0	0	0	0	113.4	E83 F84 I85 C90	E83-S87 WeakPolarHBondContact O-CB 3.26Å; E83-S87 PolarHBondContact O-N 3.39Å; E83-S87 PolarHBondContact O-OG 2.88Å; F84-S87 PolarHBondContact O-N 3.22Å; F84-S87 PolarHBondContact O-OG 3.23Å; F84-S87 VanDerWaalsContact O-OG 3.1Å; I85-S87 PolarHBondContact O-N 2.93Å; S87-C90 PolarHBondContact O-SG 3.43Å
88	T	96.1	Very high	96.6	Very high	52 Å²	52	61.9 Å²	61.9	32%	0.319	33%	0.328	S	S	.	.	H	α-helix	trans	-84.7	-44.1	-176.2	-53.3	0	0	0	0	111.9	Y70 F84 C90	Y70-T88 HydrophobicContact CE1-CG2 4.3Å; Y70-T88 HydrophobicContact CE2-CG2 4.37Å; Y70-T88 WeakPolarHBondContact OH-CG2 3.46Å; F84-T88 WeakPolarHBondContact CD2-OG1 3.32Å; F84-T88 VanDerWaalsContact CE2-OG1 3.29Å; F84-T88 WeakPolarHBondContact CE2-OG1 3.4Å; F84-T88 HydrophobicContact CZ-CG2 4.28Å; F84-T88 WeakPolarHBondContact O-CB 3.35Å; F84-T88 PolarHBondContact O-N 3.02Å; F84-T88 PolarHBondContact O-OG1 3.08Å; T88-C90 PolarHBondContact O-N 2.94Å
89	L	95.4	Very high	96.6	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	33%	0.327	C	S	.	.	S	Bend	trans	-94.8	73.5	178.5	-52.9	-173.1	0	0	0	109.1	I9 L35 K38 V40 Y70 I85 Y94	I9-L89 HydrophobicContact CD1-CD1 4.14Å; I9-L89 HydrophobicContact CD1-CD2 4.49Å; L35-L89 HydrophobicContact CD2-CD1 4.38Å; K38-L89 HydrophobicContact CB-CD1 4.19Å; K38-L89 HydrophobicContact CD-CB 3.93Å; K38-L89 WeakPolarHBondContact CD-O 3.38Å; K38-L89 WeakPolarHBondContact CE-O 3.47Å; K38-L89 HydrophobicContact CG-CB 4.31Å; K38-L89 HydrophobicContact CG-CD1 4.21Å; K38-L89 PolarHBondContact NZ-O 3.37Å; V40-L89 HydrophobicContact CB-CD1 4.05Å; V40-L89 HydrophobicContact CG1-CD1 3.8Å; V40-L89 HydrophobicContact CG2-CD1 4.28Å; Y70-L89 HydrophobicContact CE2-CD2 4.42Å; I85-L89 HydrophobicContact CG2-CD1 4Å; I85-L89 HydrophobicContact CG2-CG 4.38Å; I85-L89 WeakPolarHBondContact O-CA 3.28Å; I85-L89 VanDerWaalsContact O-CB 3.3Å; I85-L89 WeakPolarHBondContact O-CB 3.5Å; I85-L89 PolarHBondContact O-N 3.35Å; L89-Y94 HydrophobicContact CB-CD2 3.7Å; L89-Y94 HydrophobicContact CB-CE2 4.26Å; L89-Y94 HydrophobicContact CB-CG 3.92Å; L89-Y94 HydrophobicContact CD2-CD2 4Å; L89-Y94 HydrophobicContact CD2-CE2 3.66Å; L89-Y94 HydrophobicContact CG-CD2 4.41Å; L89-Y94 WeakPolarHBondContact O-CB 3.37Å
90	C	92.6	Very high	96.7	Very high	55 Å²	55	65 Å²	65	37%	0.372	33%	0.334	S	S	.	.			trans	-116	170.9	-173.6	63.3	0	0	0	0	113.4	S87 T88 K93 Y94	S87-C90 PolarHBondContact O-SG 3.43Å; T88-C90 PolarHBondContact O-N 2.94Å; C90-K93 PolarHBondContact O-N 2.9Å; C90-Y94 CarbonylContact C-O 3.59Å; C90-Y94 PolarHBondContact O-N 3.07Å; C90-Y94 VanDerWaalsContact O-N 3.17Å
91	P	94.4	Very high	96.6	Very high	78 Å²	78	59.5 Å²	59.5	51%	0.506	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	150.8	176.4	-26.8	35.9	0	0	0	112.7	Y94 R96	P91-Y94 VanDerWaalsContact CA-O 3.28Å; P91-Y94 WeakPolarHBondContact CA-O 3.28Å; P91-Y94 WeakPolarHBondContact CD-O 3.38Å; P91-Y94 WeakPolarHBondContact CG-O 3.44Å; P91-R96 HydrophobicContact CG-CB 4.19Å
92	P	94.5	Very high	96.5	Very high	141 Å²	141	64.5 Å²	64.5	92%	0.916	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.1	-9	9.4	33.7	-36.5	0	0	0	114.7
93	K	94.9	Very high	96.4	Very high	119 Å²	119	69.4 Å²	69.4	52%	0.517	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-38.3	-172.1	-172.5	169.5	-177	164.9	0	113.2	E6 C90	E6-K93 WeakPolarHBondContact OE1-CE 3.21Å; E6-K93 IonicContact OE1-NZ 2.88Å; E6-K93 PolarHBondContact OE1-NZ 2.96Å; C90-K93 PolarHBondContact O-N 2.9Å
94	Y	96.8	Very high	96.4	Very high	33 Å²	33	63.2 Å²	63.2	13%	0.129	34%	0.338	C	S	.	.	S	Bend	trans	-126.1	149.6	-176.9	-57	-70.5	0	0	0	110.6	K38 V40 L89 C90 P91	K38-Y94 WeakPolarHBondContact O-CD1 3.46Å; V40-Y94 HydrophobicContact CB-CE1 3.98Å; V40-Y94 HydrophobicContact CG2-CE1 4.07Å; L89-Y94 HydrophobicContact CB-CD2 3.7Å; L89-Y94 HydrophobicContact CB-CE2 4.26Å; L89-Y94 HydrophobicContact CB-CG 3.92Å; L89-Y94 HydrophobicContact CD2-CD2 4Å; L89-Y94 HydrophobicContact CD2-CE2 3.66Å; L89-Y94 HydrophobicContact CG-CD2 4.41Å; L89-Y94 WeakPolarHBondContact O-CB 3.37Å; C90-Y94 CarbonylContact C-O 3.59Å; C90-Y94 PolarHBondContact O-N 3.07Å; C90-Y94 VanDerWaalsContact O-N 3.17Å; P91-Y94 VanDerWaalsContact CA-O 3.28Å; P91-Y94 WeakPolarHBondContact CA-O 3.28Å; P91-Y94 WeakPolarHBondContact CD-O 3.38Å; P91-Y94 WeakPolarHBondContact CG-O 3.44Å
95	P	97.4	Very high	96.3	Very high	62 Å²	62	65 Å²	65	40%	0.403	35%	0.349	S	S	.	.			trans	-68.3	148.4	-179.3	28.7	-34.6	0	0	0	111.4	L37 K38 L97	L37-P95 VanDerWaalsContact O-CG 3.32Å; L37-P95 WeakPolarHBondContact O-CG 3.26Å; K38-P95 PolarHBondContact NZ-O 3.39Å; K38-P95 WeakPolarHBondContact O-CD 3.43Å; P95-L97 HydrophobicContact CB-CD2 4.43Å; P95-L97 HydrophobicContact CG-CD2 4.26Å
96	R	97.4	Very high	96.2	Very high	178 Å²	178	69.1 Å²	69.1	67%	0.672	37%	0.374	S	S	*	.			trans	-76.6	128.8	165.7	-174.5	-178.1	175.1	160.9	-2	108.6	E86 P91 A98	E86-R96 WeakPolarHBondContact OE1-CG 3.3Å; P91-R96 HydrophobicContact CG-CB 4.19Å; R96-A98 HydrophobicContact CG-CB 4.46Å
97	L	98.2	Very high	96.2	Very high	12 Å²	12	68.4 Å²	68.4	6%	0.063	37%	0.374	C	S	.	.			trans	-110.7	-12.4	-178.6	-59.9	-178.7	0	0	0	112.8	V34 L37 K38 E86 P95 A99 T175 L176	V34-L97 HydrophobicContact CG1-CD1 4.21Å; L37-L97 HydrophobicContact CB-CD1 3.62Å; L37-L97 HydrophobicContact CB-CD2 3.97Å; L37-L97 HydrophobicContact CB-CG 4.48Å; K38-L97 HydrophobicContact CD-CD1 3.96Å; K38-L97 HydrophobicContact CD-CG 4.27Å; K38-L97 HydrophobicContact CG-CD1 3.97Å; E86-L97 PolarHBondContact OE1-N 3.39Å; E86-L97 PolarHBondContact OE2-N 3.46Å; P95-L97 HydrophobicContact CB-CD2 4.43Å; P95-L97 HydrophobicContact CG-CD2 4.26Å; L97-A99 PolarHBondContact O-N 2.92Å; L97-T175 CarbonylContact O-C 3.6Å; L97-T175 VanDerWaalsContact O-CA 3.27Å; L97-T175 WeakPolarHBondContact O-CA 3.42Å; L97-T175 VanDerWaalsContact O-CB 3.23Å; L97-T175 WeakPolarHBondContact O-CB 3.49Å; L97-L176 HydrophobicContact CB-CD2 3.76Å; L97-L176 HydrophobicContact CB-CG 3.84Å; L97-L176 HydrophobicContact CD1-CD2 4.28Å; L97-L176 PolarHBondContact O-N 2.71Å
98	A	97.7	Very high	96.2	Very high	30 Å²	30	65.1 Å²	65.1	25%	0.248	35%	0.352	C	S	.	.	S	Bend	trans	-58.1	130.6	176.3	0	0	0	0	0	111.1	E86 R96 L176	E86-A98 HydrophobicContact CG-CB 4.39Å; E86-A98 WeakPolarHBondContact OE1-CB 3.39Å; E86-A98 PolarHBondContact OE1-N 3.09Å; R96-A98 HydrophobicContact CG-CB 4.46Å; A98-L176 HydrophobicContact CB-CD1 4.31Å
99	A	96.8	Very high	96.1	Very high	12 Å²	12	67.2 Å²	67.2	10%	0.099	36%	0.364	C	S	.	.			trans	-59.5	142	174.8	0	0	0	0	0	110.8	L97 D170 A177	L97-A99 PolarHBondContact O-N 2.92Å; A99-D170 HydrophobicContact CB-CB 4Å; A99-A177 HydrophobicContact CB-CB 4.47Å
100	R	96.1	Very high	96.1	Very high	151 Å²	151	69.4 Å²	69.4	57%	0.57	38%	0.376	S	S	*	.	S	Bend	trans	-81.5	-36.1	179.9	-58.5	174.7	-61.3	149.8	15	110.9	D151 D170	R100-D151 IonicContact CZ-OD2 2.66Å; R100-D151 IonicContact NE-OD2 3.66Å; R100-D151 IonicContact NH1-OD2 3.56Å; R100-D151 PolarHBondContact NH1-OD2 2.96Å; R100-D151 IonicContact NH2-OD2 2.89Å; R100-D151 PolarHBondContact NH2-OD2 3.15Å; R100-D170 WeakPolarHBondContact CB-OD2 3.34Å; R100-D170 PolarHBondContact N-OD1 3.5Å; R100-D170 PolarHBondContact N-OD2 2.71Å; R100-D170 IonicContact NE-OD2 2.66Å; R100-D170 PolarHBondContact NE-OD2 3.36Å; R100-D170 PolarHBondContact NH2-O 3.39Å
101	N	95.9	Very high	96.4	Very high	22 Å²	22	66.9 Å²	66.9	12%	0.118	36%	0.359	C	S	.	.	S	Bend	trans	-92.5	122.4	177.3	-55.2	-82.5	0	0	0	109.7	E103 S104 P150 D170	N101-E103 PolarHBondContact O-N 3.22Å; N101-S104 VanDerWaalsContact O-CB 3.25Å; N101-S104 WeakPolarHBondContact O-CB 3.39Å; N101-S104 PolarHBondContact O-N 3.04Å; N101-S104 VanDerWaalsContact O-N 3.09Å; N101-S104 PolarHBondContact O-OG 3.29Å; N101-P150 WeakPolarHBondContact OD1-CD 3.48Å; N101-D170 WeakPolarHBondContact CB-OD1 3.49Å; N101-D170 PolarHBondContact N-OD1 3.24Å; N101-D170 PolarHBondContact ND2-OD1 3.42Å
102	P	94.9	Very high	96.6	Very high	105 Å²	105	64.9 Å²	64.9	68%	0.682	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-58.4	-32.4	-179.7	-27.7	35.9	0	0	0	114	S104 N105	P102-S104 VanDerWaalsContact C-N 3.26Å; P102-S104 PolarHBondContact O-N 3.48Å; P102-N105 WeakPolarHBondContact O-CB 3.35Å; P102-N105 PolarHBondContact O-N 3.15Å
103	E	96.3	Very high	96.7	Very high	123 Å²	123	61.4 Å²	61.4	58%	0.575	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-64.5	-29.3	178.9	-165.4	175.6	-170.6	0	0	112.6	N101 N105 T106 A107 Y144	N101-E103 PolarHBondContact O-N 3.22Å; E103-N105 PolarHBondContact O-N 3.02Å; E103-T106 PolarHBondContact O-N 3.34Å; E103-T106 PolarHBondContact O-OG1 3.31Å; E103-A107 PolarHBondContact O-N 3.37Å; E103-Y144 HydrophobicContact CB-CE2 3.9Å; E103-Y144 HydrophobicContact CG-CD2 3.9Å; E103-Y144 HydrophobicContact CG-CE2 3.53Å
104	S	97.7	Very high	96.9	Very high	1 Å²	1	60 Å²	60	1%	0.007	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-56.7	-35.9	174.7	-54.8	0	0	0	0	111.7	N101 P102 T106 Y144 D170 A177	N101-S104 VanDerWaalsContact O-CB 3.25Å; N101-S104 WeakPolarHBondContact O-CB 3.39Å; N101-S104 PolarHBondContact O-N 3.04Å; N101-S104 VanDerWaalsContact O-N 3.09Å; N101-S104 PolarHBondContact O-OG 3.29Å; P102-S104 VanDerWaalsContact C-N 3.26Å; P102-S104 PolarHBondContact O-N 3.48Å; S104-T106 VanDerWaalsContact C-N 3.29Å; S104-T106 PolarHBondContact O-N 2.79Å; S104-Y144 VanDerWaalsContact CA-OH 3.29Å; S104-Y144 WeakPolarHBondContact CA-OH 3.47Å; S104-Y144 PolarHBondContact N-OH 3.21Å; S104-Y144 PolarHBondContact OG-OH 3.15Å; S104-D170 PolarHBondContact OG-OD1 2.9Å; S104-A177 WeakPolarHBondContact O-CB 3.01Å
105	N	96.8	Very high	96.9	Very high	77 Å²	77	58.4 Å²	58.4	41%	0.412	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-74.1	-19.4	-178.6	-61	-54.3	0	0	0	113.3	P102 E103	P102-N105 WeakPolarHBondContact O-CB 3.35Å; P102-N105 PolarHBondContact O-N 3.15Å; E103-N105 PolarHBondContact O-N 3.02Å
106	T	96.6	Very high	96.9	Very high	87 Å²	87	56.6 Å²	56.6	53%	0.534	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-15	-177.1	61.9	0	0	0	0	112.9	E103 S104 G108 V109	E103-T106 PolarHBondContact O-N 3.34Å; E103-T106 PolarHBondContact O-OG1 3.31Å; S104-T106 VanDerWaalsContact C-N 3.29Å; S104-T106 PolarHBondContact O-N 2.79Å; T106-G108 PolarHBondContact O-N 3.26Å; T106-V109 VanDerWaalsContact O-CB 3.32Å; T106-V109 WeakPolarHBondContact O-CB 3.43Å; T106-V109 VanDerWaalsContact O-CG1 3.25Å; T106-V109 WeakPolarHBondContact O-CG1 3.41Å; T106-V109 PolarHBondContact O-N 2.93Å; T106-V109 VanDerWaalsContact O-N 3.12Å
107	A	97.5	Very high	96.8	Very high	15 Å²	15	50.5 Å²	50.5	12%	0.124	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	121.7	173.3	0	0	0	0	0	111.2	E103 V109 L141 Y144 L169	E103-A107 PolarHBondContact O-N 3.37Å; A107-V109 VanDerWaalsContact C-N 3.27Å; A107-V109 PolarHBondContact O-N 3.44Å; A107-L141 HydrophobicContact CB-CD1 4.26Å; A107-Y144 HydrophobicContact CB-CD1 3.47Å; A107-Y144 VanDerWaalsContact CB-CD1 3.47Å; A107-Y144 HydrophobicContact CB-CD2 4.45Å; A107-Y144 HydrophobicContact CB-CE1 3.66Å; A107-Y144 HydrophobicContact CB-CG 3.9Å; A107-L169 HydrophobicContact CB-CD2 4.01Å
108	G	96.7	Very high	96.8	Very high	10 Å²	10	50 Å²	50	10%	0.103	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	9.6	179.2	0	0	0	0	0	116	T106 D110 I111	T106-G108 PolarHBondContact O-N 3.26Å; G108-D110 PolarHBondContact O-N 3.11Å; G108-D110 VanDerWaalsContact O-N 3.17Å; G108-I111 WeakPolarHBondContact O-CB 3.38Å; G108-I111 WeakPolarHBondContact O-CG1 3.29Å; G108-I111 PolarHBondContact O-N 3.19Å; G108-I111 VanDerWaalsContact O-N 3.13Å
109	V	94.6	Very high	96.7	Very high	96 Å²	96	48.6 Å²	48.6	58%	0.582	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32	-176.3	71	0	0	0	0	113.6	T106 A107	T106-V109 VanDerWaalsContact O-CB 3.32Å; T106-V109 WeakPolarHBondContact O-CB 3.43Å; T106-V109 VanDerWaalsContact O-CG1 3.25Å; T106-V109 WeakPolarHBondContact O-CG1 3.41Å; T106-V109 PolarHBondContact O-N 2.93Å; T106-V109 VanDerWaalsContact O-N 3.12Å; A107-V109 VanDerWaalsContact C-N 3.27Å; A107-V109 PolarHBondContact O-N 3.44Å
110	D	95.6	Very high	96.6	Very high	50 Å²	50	53.1 Å²	53.1	27%	0.267	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-15.3	-178.2	70	-26.6	0	0	0	113.7	G108 F112 S113 K114	G108-D110 PolarHBondContact O-N 3.11Å; G108-D110 VanDerWaalsContact O-N 3.17Å; D110-F112 VanDerWaalsContact C-N 3.34Å; D110-F112 PolarHBondContact O-N 2.73Å; D110-S113 PolarHBondContact O-N 3.18Å; D110-S113 VanDerWaalsContact O-N 3.08Å; D110-S113 PolarHBondContact O-OG 3.12Å; D110-K114 WeakPolarHBondContact O-CG 3.36Å; D110-K114 PolarHBondContact O-N 3Å
111	I	98.2	Very high	96.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-52.4	-49.6	-175.8	-69.3	171.3	0	0	0	111.6	G108 S113 K114 F115 L134 A137 L138 L141 L185 L188	G108-I111 WeakPolarHBondContact O-CB 3.38Å; G108-I111 WeakPolarHBondContact O-CG1 3.29Å; G108-I111 PolarHBondContact O-N 3.19Å; G108-I111 VanDerWaalsContact O-N 3.13Å; I111-S113 VanDerWaalsContact C-N 3.29Å; I111-S113 PolarHBondContact O-N 3.34Å; I111-K114 PolarHBondContact O-N 2.98Å; I111-F115 WeakPolarHBondContact O-CB 3.24Å; I111-F115 PolarHBondContact O-N 2.92Å; I111-L134 HydrophobicContact CG2-CD1 4.12Å; I111-A137 HydrophobicContact CG1-CB 3.75Å; I111-L138 HydrophobicContact CD1-CD2 4.23Å; I111-L138 HydrophobicContact CG2-CD2 4.33Å; I111-L141 HydrophobicContact CD1-CB 3.88Å; I111-L141 HydrophobicContact CD1-CD2 3.6Å; I111-L141 HydrophobicContact CD1-CG 4.34Å; I111-L185 HydrophobicContact CD1-CD2 4.19Å; I111-L185 HydrophobicContact CG2-CD2 4Å; I111-L188 HydrophobicContact CG2-CD1 3.47Å; I111-L188 VanDerWaalsContact CG2-CD1 3.47Å
112	F	97.3	Very high	96.4	Very high	37 Å²	37	48 Å²	48	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-31.5	-175.2	-163.8	-110.1	0	0	0	112.7	P26 D110 F115 S116 K184 I187 Y234	P26-F112 HydrophobicContact CG-CZ 4.24Å; D110-F112 VanDerWaalsContact C-N 3.34Å; D110-F112 PolarHBondContact O-N 2.73Å; F112-F115 AromaticContact CD2-CD1 3.88Å; F112-F115 HydrophobicContact CD2-CD1 3.88Å; F112-F115 HydrophobicContact CD2-CE1 4.41Å; F112-F115 AromaticContact CE2-CD1 3.91Å; F112-F115 HydrophobicContact CE2-CD1 3.91Å; F112-F115 AromaticContact CE2-CE1 3.98Å; F112-F115 HydrophobicContact CE2-CE1 3.98Å; F112-S116 VanDerWaalsContact O-CB 3.27Å; F112-S116 WeakPolarHBondContact O-CB 3.45Å; F112-S116 PolarHBondContact O-N 3.25Å; F112-S116 PolarHBondContact O-OG 3.37Å; F112-K184 HydrophobicContact CB-CB 4.09Å; F112-K184 HydrophobicContact CB-CD 3.89Å; F112-K184 HydrophobicContact CB-CG 4.16Å; F112-K184 HydrophobicContact CD1-CD 4.46Å; F112-K184 HydrophobicContact CD1-CG 4.33Å; F112-K184 HydrophobicContact CD2-CB 3.51Å; F112-K184 HydrophobicContact CD2-CD 4.44Å; F112-K184 HydrophobicContact CD2-CG 3.77Å; F112-K184 HydrophobicContact CE2-CB 4.11Å; F112-K184 HydrophobicContact CE2-CG 4.19Å; F112-K184 HydrophobicContact CG-CB 3.94Å; F112-K184 HydrophobicContact CG-CD 4.03Å; F112-K184 HydrophobicContact CG-CG 3.84Å; F112-I187 HydrophobicContact CE2-CB 4.31Å; F112-I187 HydrophobicContact CE2-CD1 4.43Å; F112-I187 HydrophobicContact CE2-CG2 4.11Å; F112-Y234 WeakPolarHBondContact CZ-OH 3.47Å
113	S	97.6	Very high	96.4	Very high	68 Å²	68	46.1 Å²	46.1	48%	0.476	26%	0.26	S	S	.	.	H	α-helix	trans	-70	-41.1	174	76.4	0	0	0	0	111.9	D110 I111 S116 A117	D110-S113 PolarHBondContact O-N 3.18Å; D110-S113 VanDerWaalsContact O-N 3.08Å; D110-S113 PolarHBondContact O-OG 3.12Å; I111-S113 VanDerWaalsContact C-N 3.29Å; I111-S113 PolarHBondContact O-N 3.34Å; S113-S116 PolarHBondContact O-N 2.88Å; S113-A117 PolarHBondContact O-N 2.85Å
114	K	98.1	Very high	96.2	Very high	88 Å²	88	43.2 Å²	43.2	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-46.1	175.6	-61	-59.3	-178.9	-176.7	0	111.1	D110 I111 S116 A117 Y118 L134 A137	D110-K114 WeakPolarHBondContact O-CG 3.36Å; D110-K114 PolarHBondContact O-N 3Å; I111-K114 PolarHBondContact O-N 2.98Å; K114-S116 VanDerWaalsContact C-N 3.34Å; K114-S116 PolarHBondContact O-N 2.7Å; K114-A117 PolarHBondContact O-N 3.27Å; K114-Y118 WeakPolarHBondContact O-CB 3.49Å; K114-Y118 PolarHBondContact O-N 2.67Å; K114-L134 HydrophobicContact CB-CB 4.31Å; K114-L134 HydrophobicContact CB-CD1 4.26Å; K114-A137 HydrophobicContact CG-CB 4.22Å
115	F	97.8	Very high	96	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.8	-47	172.1	161.1	-109.8	0	0	0	111.5	I111 F112 A117 Y118 I119 L134 I187 L188 V191 S192 Y234	I111-F115 WeakPolarHBondContact O-CB 3.24Å; I111-F115 PolarHBondContact O-N 2.92Å; F112-F115 AromaticContact CD2-CD1 3.88Å; F112-F115 HydrophobicContact CD2-CD1 3.88Å; F112-F115 HydrophobicContact CD2-CE1 4.41Å; F112-F115 AromaticContact CE2-CD1 3.91Å; F112-F115 HydrophobicContact CE2-CD1 3.91Å; F112-F115 AromaticContact CE2-CE1 3.98Å; F112-F115 HydrophobicContact CE2-CE1 3.98Å; F115-A117 VanDerWaalsContact C-N 3.31Å; F115-A117 PolarHBondContact O-N 3.35Å; F115-Y118 PolarHBondContact O-N 2.95Å; F115-I119 HydrophobicContact CD2-CB 4.33Å; F115-I119 HydrophobicContact CE1-CG2 4.45Å; F115-I119 HydrophobicContact CE2-CB 3.88Å; F115-I119 HydrophobicContact CE2-CG1 4.15Å; F115-I119 HydrophobicContact CE2-CG2 4.11Å; F115-I119 HydrophobicContact CZ-CB 4.28Å; F115-I119 HydrophobicContact CZ-CG1 4.42Å; F115-I119 HydrophobicContact CZ-CG2 4.06Å; F115-I119 WeakPolarHBondContact O-CB 3.48Å; F115-I119 WeakPolarHBondContact O-CG2 3.49Å; F115-I119 PolarHBondContact O-N 2.95Å; F115-L134 HydrophobicContact CB-CD1 4.16Å; F115-L134 HydrophobicContact CB-CD2 4.49Å; F115-I187 HydrophobicContact CE1-CG2 3.98Å; F115-I187 HydrophobicContact CZ-CG2 4.27Å; F115-L188 HydrophobicContact CB-CD1 3.92Å; F115-L188 HydrophobicContact CB-CG 4.18Å; F115-L188 HydrophobicContact CD1-CB 4.4Å; F115-L188 HydrophobicContact CD2-CB 4.16Å; F115-L188 HydrophobicContact CD2-CD1 4.49Å; F115-L188 HydrophobicContact CD2-CG 3.83Å; F115-L188 HydrophobicContact CE2-CB 4.47Å; F115-L188 HydrophobicContact CE2-CG 4.46Å; F115-L188 HydrophobicContact CG-CB 4.12Å; F115-L188 HydrophobicContact CG-CD1 4.26Å; F115-L188 HydrophobicContact CG-CG 4Å; F115-V191 HydrophobicContact CE2-CB 4.14Å; F115-V191 HydrophobicContact CE2-CG1 4.12Å; F115-V191 HydrophobicContact CZ-CB 3.77Å; F115-V191 HydrophobicContact CZ-CG1 3.8Å; F115-V191 HydrophobicContact CZ-CG2 4.33Å; F115-S192 WeakPolarHBondContact CE2-OG 3.45Å; F115-Y234 AromaticContact CE1-CE1 3.86Å; F115-Y234 HydrophobicContact CE1-CE1 3.86Å; F115-Y234 HydrophobicContact CZ-CD1 4.46Å; F115-Y234 AromaticContact CZ-CE1 3.91Å; F115-Y234 HydrophobicContact CZ-CE1 3.91Å
116	S	96.5	Very high	95.9	Very high	25 Å²	25	51.8 Å²	51.8	18%	0.175	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-40.5	178.8	-68.5	0	0	0	0	112.5	F112 S113 K114 K120	F112-S116 VanDerWaalsContact O-CB 3.27Å; F112-S116 WeakPolarHBondContact O-CB 3.45Å; F112-S116 PolarHBondContact O-N 3.25Å; F112-S116 PolarHBondContact O-OG 3.37Å; S113-S116 PolarHBondContact O-N 2.88Å; K114-S116 VanDerWaalsContact C-N 3.34Å; K114-S116 PolarHBondContact O-N 2.7Å; S116-K120 VanDerWaalsContact O-CB 3.3Å; S116-K120 WeakPolarHBondContact O-CB 3.35Å; S116-K120 WeakPolarHBondContact O-CD 3.27Å; S116-K120 WeakPolarHBondContact O-CG 3.36Å; S116-K120 PolarHBondContact O-N 3.19Å
117	A	96.7	Very high	95.8	Very high	49 Å²	49	48.4 Å²	48.4	41%	0.405	27%	0.269	S	S	.	.	H	α-helix	trans	-67.6	-44.3	175.2	0	0	0	0	0	111.7	S113 K114 F115 N121 L130	S113-A117 PolarHBondContact O-N 2.85Å; K114-A117 PolarHBondContact O-N 3.27Å; F115-A117 VanDerWaalsContact C-N 3.31Å; F115-A117 PolarHBondContact O-N 3.35Å; A117-N121 PolarHBondContact O-N 2.96Å; A117-L130 HydrophobicContact CB-CD2 3.98Å
118	Y	96.9	Very high	95.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-50.3	178.5	174.6	-115.8	0	0	0	112.6	K114 F115 K120 N121 N127 L130 E131 L134 R196 F198	K114-Y118 WeakPolarHBondContact O-CB 3.49Å; K114-Y118 PolarHBondContact O-N 2.67Å; F115-Y118 PolarHBondContact O-N 2.95Å; Y118-K120 PolarHBondContact O-N 3.49Å; Y118-N121 VanDerWaalsContact O-CB 3.3Å; Y118-N121 WeakPolarHBondContact O-CB 3.39Å; Y118-N121 PolarHBondContact O-N 3.2Å; Y118-N127 WeakPolarHBondContact CE2-OD1 3.35Å; Y118-L130 HydrophobicContact CD2-CB 3.95Å; Y118-E131 HydrophobicContact CD2-CB 4.08Å; Y118-E131 HydrophobicContact CE2-CB 3.58Å; Y118-E131 HydrophobicContact CE2-CG 3.95Å; Y118-E131 PolarHBondContact OH-OE2 3.18Å; Y118-L134 HydrophobicContact CD1-CD2 4.06Å; Y118-R196 HydrophobicContact CE1-CB 4.01Å; Y118-R196 HydrophobicContact CE1-CG 3.75Å; Y118-F198 HydrophobicContact CE1-CB 4.37Å; Y118-F198 HydrophobicContact CE1-CG 4.47Å
119	I	96.3	Very high	95.8	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-72.4	-30.2	-174.2	-161.5	62.2	0	0	0	113.1	F115 N121 V191 R196 Y234 A238	F115-I119 HydrophobicContact CD2-CB 4.33Å; F115-I119 HydrophobicContact CE1-CG2 4.45Å; F115-I119 HydrophobicContact CE2-CB 3.88Å; F115-I119 HydrophobicContact CE2-CG1 4.15Å; F115-I119 HydrophobicContact CE2-CG2 4.11Å; F115-I119 HydrophobicContact CZ-CB 4.28Å; F115-I119 HydrophobicContact CZ-CG1 4.42Å; F115-I119 HydrophobicContact CZ-CG2 4.06Å; F115-I119 WeakPolarHBondContact O-CB 3.48Å; F115-I119 WeakPolarHBondContact O-CG2 3.49Å; F115-I119 PolarHBondContact O-N 2.95Å; I119-N121 VanDerWaalsContact C-N 3.33Å; I119-V191 HydrophobicContact CD1-CG1 3.86Å; I119-V191 HydrophobicContact CG1-CG1 3.67Å; I119-R196 HydrophobicContact CD1-CG 3.83Å; I119-R196 PolarHBondContact O-NH2 2.89Å; I119-R196 VanDerWaalsContact O-NH2 3.14Å; I119-Y234 HydrophobicContact CG2-CD1 4.41Å; I119-Y234 HydrophobicContact CG2-CE1 4.3Å; I119-A238 HydrophobicContact CD1-CB 4.3Å; I119-A238 HydrophobicContact CG1-CB 4.01Å
120	K	95.1	Very high	95.9	Very high	108 Å²	108	54.3 Å²	54.3	47%	0.47	29%	0.293	S	S	.	.	H	α-helix	trans	-83.7	-9.5	178.3	-66.2	177.5	-177.5	177.1	0	113.2	S116 Y118 V237	S116-K120 VanDerWaalsContact O-CB 3.3Å; S116-K120 WeakPolarHBondContact O-CB 3.35Å; S116-K120 WeakPolarHBondContact O-CD 3.27Å; S116-K120 WeakPolarHBondContact O-CG 3.36Å; S116-K120 PolarHBondContact O-N 3.19Å; Y118-K120 PolarHBondContact O-N 3.49Å; K120-V237 WeakPolarHBondContact CA-O 3.38Å; K120-V237 HydrophobicContact CG-CB 4.31Å
121	N	94.3	Very high	96	Very high	20 Å²	20	55 Å²	55	11%	0.107	30%	0.295	C	S	.	.			trans	-65.4	133.7	179.5	177.3	45	0	0	0	111.2	A117 Y118 I119 N123 L130 R196	A117-N121 PolarHBondContact O-N 2.96Å; Y118-N121 VanDerWaalsContact O-CB 3.3Å; Y118-N121 WeakPolarHBondContact O-CB 3.39Å; Y118-N121 PolarHBondContact O-N 3.2Å; I119-N121 VanDerWaalsContact C-N 3.33Å; N121-N123 PolarHBondContact ND2-O 3.39Å; N121-N123 PolarHBondContact OD1-N 3.03Å; N121-N123 PolarHBondContact OD1-O 3.23Å; N121-L130 HydrophobicContact CB-CD1 3.5Å; N121-L130 VanDerWaalsContact CB-CD1 3.5Å; N121-R196 PolarHBondContact O-NH2 3.3Å
122	S	93.3	Very high	96	Very high	46 Å²	46	61.3 Å²	61.3	32%	0.322	32%	0.322	S	S	.	.			trans	-116.2	-2.4	171	59.5	0	0	0	0	113.4	P124 K242	S122-P124 WeakPolarHBondContact O-CD 3.23Å; S122-K242 PolarHBondContact O-N 3.33Å
123	N	93.9	Very high	96	Very high	65 Å²	65	60.5 Å²	60.5	35%	0.348	32%	0.324	S	S	.	.			trans	-94.8	113.5	179.7	-179	-9.8	0	0	0	110.2	N121 Q125 M126 N127	N121-N123 PolarHBondContact ND2-O 3.39Å; N121-N123 PolarHBondContact OD1-N 3.03Å; N121-N123 PolarHBondContact OD1-O 3.23Å; N123-Q125 VanDerWaalsContact C-N 3.26Å; N123-Q125 PolarHBondContact O-N 2.86Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.46Å; N123-Q125 PolarHBondContact OD1-N 3.13Å; N123-M126 HydrophobicContact CB-CB 4.38Å; N123-M126 HydrophobicContact CB-CG 4.22Å; N123-M126 PolarHBondContact O-N 3.44Å; N123-M126 VanDerWaalsContact O-N 3.15Å; N123-N127 PolarHBondContact O-N 2.73Å
124	P	92.9	Very high	96	Very high	61 Å²	61	57.3 Å²	57.3	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-36.4	179.7	-23.9	32.9	0	0	0	113.6	S122 M126 N127 L241 K242	S122-P124 WeakPolarHBondContact O-CD 3.23Å; P124-M126 PolarHBondContact O-N 3.23Å; P124-N127 VanDerWaalsContact O-CB 3.3Å; P124-N127 WeakPolarHBondContact O-CB 3.27Å; P124-N127 PolarHBondContact O-N 2.82Å; P124-N127 VanDerWaalsContact O-N 3.08Å; P124-L241 HydrophobicContact CG-CB 4.34Å; P124-K242 WeakPolarHBondContact CD-O 3.29Å; P124-K242 WeakPolarHBondContact CG-O 3.18Å
125	Q	94.1	Very high	96	Very high	173 Å²	173	55.2 Å²	55.2	81%	0.808	29%	0.294	S	S	*	.	H	α-helix	trans	-64.9	-25.4	-177.6	-60	174.6	-2.8	0	0	112.7	N123	N123-Q125 VanDerWaalsContact C-N 3.26Å; N123-Q125 PolarHBondContact O-N 2.86Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.46Å; N123-Q125 PolarHBondContact OD1-N 3.13Å
126	M	94.7	Very high	96.1	Very high	86 Å²	86	62.3 Å²	62.3	42%	0.424	33%	0.325	S	S	.	.	H	α-helix	trans	-90.9	-13.5	178.7	-65	-62.3	-68.7	0	0	112.8	N123 P124 D128 N129 L130	N123-M126 HydrophobicContact CB-CB 4.38Å; N123-M126 HydrophobicContact CB-CG 4.22Å; N123-M126 PolarHBondContact O-N 3.44Å; N123-M126 VanDerWaalsContact O-N 3.15Å; P124-M126 PolarHBondContact O-N 3.23Å; M126-D128 PolarHBondContact O-N 2.94Å; M126-N129 PolarHBondContact O-N 3.25Å; M126-L130 HydrophobicContact CB-CD1 4.23Å; M126-L130 WeakPolarHBondContact O-CG 3.28Å; M126-L130 PolarHBondContact O-N 2.82Å
127	N	94.3	Very high	96.2	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.08	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-51.7	-168.9	-170.4	76.5	0	0	0	111.7	Y118 N123 P124 N129 L130 E131 L241	Y118-N127 WeakPolarHBondContact CE2-OD1 3.35Å; N123-N127 PolarHBondContact O-N 2.73Å; P124-N127 VanDerWaalsContact O-CB 3.3Å; P124-N127 WeakPolarHBondContact O-CB 3.27Å; P124-N127 PolarHBondContact O-N 2.82Å; P124-N127 VanDerWaalsContact O-N 3.08Å; N127-N129 VanDerWaalsContact C-N 3.27Å; N127-N129 PolarHBondContact O-N 3.08Å; N127-L130 PolarHBondContact O-N 3.09Å; N127-L130 VanDerWaalsContact O-N 3.13Å; N127-E131 WeakPolarHBondContact O-CB 3.17Å; N127-E131 PolarHBondContact O-N 3.19Å; N127-L241 HydrophobicContact CB-CD1 4.2Å; N127-L241 HydrophobicContact CB-CD2 4.21Å
128	D	95.6	Very high	96.2	Very high	104 Å²	104	58.9 Å²	58.9	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-59.9	-38.3	-178.2	-66	0.9	0	0	0	112.4	M126 K132	M126-D128 PolarHBondContact O-N 2.94Å; D128-K132 VanDerWaalsContact O-CB 3.29Å; D128-K132 WeakPolarHBondContact O-CB 3.4Å; D128-K132 WeakPolarHBondContact O-CG 3.37Å; D128-K132 PolarHBondContact O-N 3.27Å
129	N	97.3	Very high	96.3	Very high	103 Å²	103	62.4 Å²	62.4	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-69.6	-40.5	178.8	-175.4	44.6	0	0	0	111.7	M126 N127 G133	M126-N129 PolarHBondContact O-N 3.25Å; N127-N129 VanDerWaalsContact C-N 3.27Å; N127-N129 PolarHBondContact O-N 3.08Å; N129-G133 PolarHBondContact O-N 3.07Å
130	L	97.6	Very high	96.4	Very high	39 Å²	39	69 Å²	69	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-68.2	-41.3	177.2	-69.3	170.9	0	0	0	111.6	A117 Y118 N121 M126 N127 G133 L134	A117-L130 HydrophobicContact CB-CD2 3.98Å; Y118-L130 HydrophobicContact CD2-CB 3.95Å; N121-L130 HydrophobicContact CB-CD1 3.5Å; N121-L130 VanDerWaalsContact CB-CD1 3.5Å; M126-L130 HydrophobicContact CB-CD1 4.23Å; M126-L130 WeakPolarHBondContact O-CG 3.28Å; M126-L130 PolarHBondContact O-N 2.82Å; N127-L130 PolarHBondContact O-N 3.09Å; N127-L130 VanDerWaalsContact O-N 3.13Å; L130-G133 PolarHBondContact O-N 3.19Å; L130-L134 PolarHBondContact O-N 2.89Å
131	E	97.1	Very high	96.6	Very high	65 Å²	65	63.8 Å²	63.8	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-47.4	174.8	-165.3	170.3	127.5	0	0	111.2	Y118 N127 G133 L134 M135 F198	Y118-E131 HydrophobicContact CD2-CB 4.08Å; Y118-E131 HydrophobicContact CE2-CB 3.58Å; Y118-E131 HydrophobicContact CE2-CG 3.95Å; Y118-E131 PolarHBondContact OH-OE2 3.18Å; N127-E131 WeakPolarHBondContact O-CB 3.17Å; N127-E131 PolarHBondContact O-N 3.19Å; E131-G133 VanDerWaalsContact C-N 3.25Å; E131-G133 PolarHBondContact O-N 2.78Å; E131-L134 PolarHBondContact O-N 3.17Å; E131-L134 VanDerWaalsContact O-N 3.13Å; E131-M135 WeakPolarHBondContact O-CB 3.48Å; E131-M135 WeakPolarHBondContact O-CG 3.2Å; E131-M135 PolarHBondContact O-N 3.05Å; E131-F198 HydrophobicContact CG-CD2 4.07Å; E131-F198 HydrophobicContact CG-CE2 4.1Å
132	K	97.7	Very high	96.8	Very high	133 Å²	133	63.3 Å²	63.3	58%	0.578	32%	0.318	S	S	*	.	H	α-helix	trans	-58.6	-38.2	172.9	-76.1	172.3	-173.8	175.3	0	112.1	D128 M135 K136	D128-K132 VanDerWaalsContact O-CB 3.29Å; D128-K132 WeakPolarHBondContact O-CB 3.4Å; D128-K132 WeakPolarHBondContact O-CG 3.37Å; D128-K132 PolarHBondContact O-N 3.27Å; K132-M135 PolarHBondContact O-N 2.79Å; K132-K136 WeakPolarHBondContact O-CB 3.45Å; K132-K136 VanDerWaalsContact O-CG 3.3Å; K132-K136 WeakPolarHBondContact O-CG 3.39Å; K132-K136 PolarHBondContact O-N 3.11Å
133	G	98.1	Very high	97	Very high	21 Å²	21	65.2 Å²	65.2	22%	0.216	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-43.1	175.4	0	0	0	0	0	112.6	N129 L130 E131 A137	N129-G133 PolarHBondContact O-N 3.07Å; L130-G133 PolarHBondContact O-N 3.19Å; E131-G133 VanDerWaalsContact C-N 3.25Å; E131-G133 PolarHBondContact O-N 2.78Å; G133-A137 PolarHBondContact O-N 3.39Å
134	L	98.3	Very high	97.2	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-45.8	174.8	173.7	59.1	0	0	0	111.5	I111 K114 F115 Y118 L130 E131 K136 A137 L138 L188 F198	I111-L134 HydrophobicContact CG2-CD1 4.12Å; K114-L134 HydrophobicContact CB-CB 4.31Å; K114-L134 HydrophobicContact CB-CD1 4.26Å; F115-L134 HydrophobicContact CB-CD1 4.16Å; F115-L134 HydrophobicContact CB-CD2 4.49Å; Y118-L134 HydrophobicContact CD1-CD2 4.06Å; L130-L134 PolarHBondContact O-N 2.89Å; E131-L134 PolarHBondContact O-N 3.17Å; E131-L134 VanDerWaalsContact O-N 3.13Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.27Å; L134-A137 WeakPolarHBondContact O-CB 3.42Å; L134-A137 PolarHBondContact O-N 3.1Å; L134-A137 VanDerWaalsContact O-N 3.07Å; L134-L138 HydrophobicContact CD1-CD1 4.29Å; L134-L138 HydrophobicContact CD1-CG 4.3Å; L134-L138 HydrophobicContact CG-CD1 4.15Å; L134-L138 PolarHBondContact O-N 2.75Å; L134-L188 HydrophobicContact CD1-CD1 3.78Å; L134-L188 HydrophobicContact CD2-CD1 4.44Å; L134-F198 HydrophobicContact CD2-CE1 4.08Å; L134-F198 HydrophobicContact CD2-CZ 4.23Å
135	M	98.3	Very high	97.5	Very high	45 Å²	45	60 Å²	60	22%	0.222	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-42.2	176.6	-80	-54.2	-49.5	0	0	112.5	E131 K132 A137 L138 Q139 F198 P201 L204	E131-M135 WeakPolarHBondContact O-CB 3.48Å; E131-M135 WeakPolarHBondContact O-CG 3.2Å; E131-M135 PolarHBondContact O-N 3.05Å; K132-M135 PolarHBondContact O-N 2.79Å; M135-A137 VanDerWaalsContact C-N 3.32Å; M135-A137 PolarHBondContact O-N 3.47Å; M135-L138 PolarHBondContact O-N 2.75Å; M135-L138 HydrophobicContact SD-CD1 4.28Å; M135-Q139 WeakPolarHBondContact O-CB 3.23Å; M135-Q139 PolarHBondContact O-N 3.48Å; M135-F198 HydrophobicContact CG-CE2 4.12Å; M135-F198 HydrophobicContact CG-CZ 4.39Å; M135-F198 HydrophobicContact SD-CE2 3.63Å; M135-F198 HydrophobicContact SD-CZ 3.53Å; M135-F198 VanDerWaalsContact SD-CZ 3.53Å; M135-P201 HydrophobicContact CE-CG 3.52Å; M135-P201 HydrophobicContact SD-CG 3.83Å; M135-L204 HydrophobicContact CE-CD1 4.16Å
136	K	98.3	Very high	97.6	Very high	149 Å²	149	52.4 Å²	52.4	65%	0.648	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-38.3	174.5	-78.1	175.9	178	-177.7	0	112.5	K132 L134 K140	K132-K136 WeakPolarHBondContact O-CB 3.45Å; K132-K136 VanDerWaalsContact O-CG 3.3Å; K132-K136 WeakPolarHBondContact O-CG 3.39Å; K132-K136 PolarHBondContact O-N 3.11Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.27Å; K136-K140 WeakPolarHBondContact O-CG 3.41Å; K136-K140 PolarHBondContact O-N 3.5Å
137	A	98.6	Very high	97.7	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-41.5	177.2	0	0	0	0	0	111.6	I111 K114 G133 L134 M135 K140 L141	I111-A137 HydrophobicContact CG1-CB 3.75Å; K114-A137 HydrophobicContact CG-CB 4.22Å; G133-A137 PolarHBondContact O-N 3.39Å; L134-A137 WeakPolarHBondContact O-CB 3.42Å; L134-A137 PolarHBondContact O-N 3.1Å; L134-A137 VanDerWaalsContact O-N 3.07Å; M135-A137 VanDerWaalsContact C-N 3.32Å; M135-A137 PolarHBondContact O-N 3.47Å; A137-K140 PolarHBondContact O-N 3.4Å; A137-L141 PolarHBondContact O-N 2.73Å; A137-L141 VanDerWaalsContact O-N 3.17Å
138	L	98.6	Very high	97.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-42	173.1	-71.8	167.7	0	0	0	111.9	I111 L134 M135 K140 L141 D142 L185 F198 I200 L204	I111-L138 HydrophobicContact CD1-CD2 4.23Å; I111-L138 HydrophobicContact CG2-CD2 4.33Å; L134-L138 HydrophobicContact CD1-CD1 4.29Å; L134-L138 HydrophobicContact CD1-CG 4.3Å; L134-L138 HydrophobicContact CG-CD1 4.15Å; L134-L138 PolarHBondContact O-N 2.75Å; M135-L138 PolarHBondContact O-N 2.75Å; M135-L138 HydrophobicContact SD-CD1 4.28Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3Å; L138-L141 PolarHBondContact O-N 3.29Å; L138-D142 PolarHBondContact O-N 3.45Å; L138-L185 HydrophobicContact CD2-CD2 4.3Å; L138-F198 HydrophobicContact CD1-CE1 4.31Å; L138-F198 HydrophobicContact CD1-CZ 4.06Å; L138-I200 HydrophobicContact CD1-CG1 4.39Å; L138-L204 HydrophobicContact CB-CD1 3.74Å
139	Q	98.6	Very high	97.6	Very high	76 Å²	76	47.5 Å²	47.5	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-38.5	176.2	-172.6	66.3	63.7	0	0	112.2	M135 L141 D142 N143	M135-Q139 WeakPolarHBondContact O-CB 3.23Å; M135-Q139 PolarHBondContact O-N 3.48Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-D142 PolarHBondContact O-N 2.94Å; Q139-N143 PolarHBondContact NE2-OD1 2.94Å; Q139-N143 WeakPolarHBondContact O-CB 3.18Å; Q139-N143 PolarHBondContact O-N 3.32Å; Q139-N143 PolarHBondContact O-OD1 3.49Å
140	K	98.5	Very high	97.2	Very high	137 Å²	137	46.7 Å²	46.7	60%	0.596	24%	0.242	S	C	*	.	H	α-helix	trans	-62.1	-42.6	174.8	-75.9	177	178.1	-173	0	111.9	K136 A137 L138 Y144	K136-K140 WeakPolarHBondContact O-CG 3.41Å; K136-K140 PolarHBondContact O-N 3.5Å; A137-K140 PolarHBondContact O-N 3.4Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3Å; K140-Y144 WeakPolarHBondContact O-CB 3.37Å; K140-Y144 PolarHBondContact O-N 3.37Å
141	L	98.7	Very high	96.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-42.6	174.7	175.3	65.2	0	0	0	111.4	A107 I111 A137 L138 Q139 Y144 L145 L169 L181 L185 V207	A107-L141 HydrophobicContact CB-CD1 4.26Å; I111-L141 HydrophobicContact CD1-CB 3.88Å; I111-L141 HydrophobicContact CD1-CD2 3.6Å; I111-L141 HydrophobicContact CD1-CG 4.34Å; A137-L141 PolarHBondContact O-N 2.73Å; A137-L141 VanDerWaalsContact O-N 3.17Å; L138-L141 PolarHBondContact O-N 3.29Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; L141-Y144 PolarHBondContact O-N 3.31Å; L141-L145 HydrophobicContact CD1-CD1 4.03Å; L141-L145 HydrophobicContact CD1-CG 4.2Å; L141-L145 HydrophobicContact CG-CD1 3.9Å; L141-L145 HydrophobicContact CG-CG 4.5Å; L141-L145 WeakPolarHBondContact O-CG 3.19Å; L141-L145 PolarHBondContact O-N 2.93Å; L141-L169 HydrophobicContact CD1-CD2 3.85Å; L141-L181 HydrophobicContact CD1-CD2 3.88Å; L141-L181 HydrophobicContact CD2-CD2 3.96Å; L141-L185 HydrophobicContact CD2-CD1 3.99Å; L141-L185 HydrophobicContact CD2-CD2 4.37Å; L141-V207 HydrophobicContact CD2-CG2 4.23Å; L141-V207 HydrophobicContact CG-CG2 4.18Å
142	D	98.6	Very high	96	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-46.9	177	-168.5	79.1	0	0	0	112	L138 Q139 Y144 L145 G146 L204 T205 N206 V207	L138-D142 PolarHBondContact O-N 3.45Å; Q139-D142 PolarHBondContact O-N 2.94Å; D142-Y144 VanDerWaalsContact C-N 3.34Å; D142-Y144 PolarHBondContact O-N 2.88Å; D142-L145 PolarHBondContact O-N 3.49Å; D142-G146 PolarHBondContact O-N 3.37Å; D142-L204 HydrophobicContact CB-CB 4.31Å; D142-L204 HydrophobicContact CB-CD2 3.95Å; D142-L204 VanDerWaalsContact OD1-CA 3.26Å; D142-L204 WeakPolarHBondContact OD1-CA 3.33Å; D142-T205 PolarHBondContact OD1-N 2.94Å; D142-N206 WeakPolarHBondContact O-CB 3.38Å; D142-N206 PolarHBondContact O-ND2 2.77Å; D142-N206 WeakPolarHBondContact OD1-CA 3.41Å; D142-N206 VanDerWaalsContact OD1-CB 3.32Å; D142-N206 WeakPolarHBondContact OD1-CB 3.31Å; D142-N206 PolarHBondContact OD1-N 3Å; D142-N206 PolarHBondContact OD2-ND2 3.43Å; D142-N206 VanDerWaalsContact OD2-ND2 3.11Å; D142-V207 HydrophobicContact CB-CG2 3.69Å; D142-V207 PolarHBondContact OD1-N 2.71Å
143	N	98.1	Very high	95.3	Very high	87 Å²	87	47.1 Å²	47.1	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-46.5	176.1	-66.5	-2.3	0	0	0	110.9	Q139 L145 G146 S147	Q139-N143 PolarHBondContact NE2-OD1 2.94Å; Q139-N143 WeakPolarHBondContact O-CB 3.18Å; Q139-N143 PolarHBondContact O-N 3.32Å; Q139-N143 PolarHBondContact O-OD1 3.49Å; N143-L145 PolarHBondContact O-N 3.22Å; N143-G146 CarbonylContact O-C 3.51Å; N143-G146 PolarHBondContact O-N 2.9Å; N143-G146 VanDerWaalsContact O-N 3.12Å; N143-S147 PolarHBondContact O-N 3.15Å; N143-S147 PolarHBondContact O-OG 3.42Å; N143-S147 VanDerWaalsContact O-OG 3.07Å
144	Y	98.2	Very high	94.3	Very high	17 Å²	17	51 Å²	51	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-46.4	177.9	175.4	-99.4	0	0	0	112.3	E103 S104 A107 K140 L141 D142 G146 S147 L149 R166 L169	E103-Y144 HydrophobicContact CB-CE2 3.9Å; E103-Y144 HydrophobicContact CG-CD2 3.9Å; E103-Y144 HydrophobicContact CG-CE2 3.53Å; S104-Y144 VanDerWaalsContact CA-OH 3.29Å; S104-Y144 WeakPolarHBondContact CA-OH 3.47Å; S104-Y144 PolarHBondContact N-OH 3.21Å; S104-Y144 PolarHBondContact OG-OH 3.15Å; A107-Y144 HydrophobicContact CB-CD1 3.47Å; A107-Y144 VanDerWaalsContact CB-CD1 3.47Å; A107-Y144 HydrophobicContact CB-CD2 4.45Å; A107-Y144 HydrophobicContact CB-CE1 3.66Å; A107-Y144 HydrophobicContact CB-CG 3.9Å; K140-Y144 WeakPolarHBondContact O-CB 3.37Å; K140-Y144 PolarHBondContact O-N 3.37Å; L141-Y144 PolarHBondContact O-N 3.31Å; D142-Y144 VanDerWaalsContact C-N 3.34Å; D142-Y144 PolarHBondContact O-N 2.88Å; Y144-G146 PolarHBondContact O-N 2.93Å; Y144-S147 PolarHBondContact O-N 3.46Å; Y144-L149 HydrophobicContact CE2-CD2 4.49Å; Y144-R166 VanDerWaalsContact CE1-NH2 3.34Å; Y144-R166 PolarHBondContact O-NH2 3.36Å; Y144-L169 HydrophobicContact CD1-CD2 4.13Å; Y144-L169 HydrophobicContact CE1-CD2 3.94Å; Y144-L169 PolarHBondContact OH-O 3.25Å
145	L	98.3	Very high	92.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-26.4	176.8	-72.6	165.4	0	0	0	112.6	L141 D142 N143 R166 L169 N206 V207 R209 Y210	L141-L145 HydrophobicContact CD1-CD1 4.03Å; L141-L145 HydrophobicContact CD1-CG 4.2Å; L141-L145 HydrophobicContact CG-CD1 3.9Å; L141-L145 HydrophobicContact CG-CG 4.5Å; L141-L145 WeakPolarHBondContact O-CG 3.19Å; L141-L145 PolarHBondContact O-N 2.93Å; D142-L145 PolarHBondContact O-N 3.49Å; N143-L145 PolarHBondContact O-N 3.22Å; L145-R166 PolarHBondContact O-NH1 3.32Å; L145-L169 HydrophobicContact CD2-CD2 4.09Å; L145-N206 HydrophobicContact CB-CB 3.64Å; L145-V207 HydrophobicContact CD1-CG2 4.2Å; L145-R209 PolarHBondContact O-NH2 3.09Å; L145-Y210 HydrophobicContact CD1-CD1 4.14Å; L145-Y210 HydrophobicContact CD1-CG 4.06Å; L145-Y210 HydrophobicContact CD2-CD2 4.38Å; L145-Y210 HydrophobicContact CD2-CG 4.25Å
146	G	96.9	Very high	91.6	Very high	12 Å²	12	65.1 Å²	65.1	12%	0.124	34%	0.337	C	S	.	.	H	α-helix	trans	-83	-23.5	175.7	0	0	0	0	0	114.2	D142 N143 Y144 S163 S164	D142-G146 PolarHBondContact O-N 3.37Å; N143-G146 CarbonylContact O-C 3.51Å; N143-G146 PolarHBondContact O-N 2.9Å; N143-G146 VanDerWaalsContact O-N 3.12Å; Y144-G146 PolarHBondContact O-N 2.93Å; G146-S163 CarbonylContact O-C 3.58Å; G146-S163 WeakPolarHBondContact O-CA 3.37Å; G146-S164 PolarHBondContact O-N 3.31Å
147	S	95.6	Very high	90.4	Very high	64 Å²	64	60.2 Å²	60.2	45%	0.448	32%	0.324	S	S	.	.	S	Bend	trans	-79.9	128.6	178.8	-65.3	0	0	0	0	111.4	N143 Y144 R166	N143-S147 PolarHBondContact O-N 3.15Å; N143-S147 PolarHBondContact O-OG 3.42Å; N143-S147 VanDerWaalsContact O-OG 3.07Å; Y144-S147 PolarHBondContact O-N 3.46Å; S147-R166 PolarHBondContact O-NH1 2.89Å
148	P	94.1	Very high	88.7	Confident	31 Å²	31	65.4 Å²	65.4	20%	0.201	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-56	137	173.5	-19.8	27.9	0	0	0	112.6	E152 I153 A161	P148-E152 HydrophobicContact CB-CB 4.19Å; P148-I153 HydrophobicContact CB-CG1 4.11Å; P148-A161 HydrophobicContact CB-CB 4.33Å; P148-A161 HydrophobicContact CG-CB 4.03Å; P148-A161 VanDerWaalsContact CG-O 3.22Å; P148-A161 WeakPolarHBondContact CG-O 3.31Å
149	L	93.6	Very high	87.1	Confident	8 Å²	8	73.6 Å²	73.6	4%	0.042	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-74.5	159.8	168.1	-63.9	177.1	0	0	0	110.6	Y144 D151 E152 D170	Y144-L149 HydrophobicContact CE2-CD2 4.49Å; L149-D151 PolarHBondContact O-N 3.41Å; L149-D151 VanDerWaalsContact O-N 3.1Å; L149-E152 HydrophobicContact CB-CG 4.36Å; L149-E152 PolarHBondContact N-OE2 3.14Å; L149-E152 WeakPolarHBondContact O-CB 3.45Å; L149-E152 PolarHBondContact O-N 2.71Å; L149-D170 VanDerWaalsContact CD1-C 3.4Å; L149-D170 WeakPolarHBondContact CD1-O 3.49Å
150	P	89.8	Confident	85.5	Confident	86 Å²	86	78.1 Å²	78.1	56%	0.558	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-51.3	-36.5	177.7	-29	35.9	0	0	0	114.4	N101 E152 I153	N101-P150 WeakPolarHBondContact OD1-CD 3.48Å; P150-E152 VanDerWaalsContact C-N 3.28Å; P150-E152 PolarHBondContact O-N 2.9Å; P150-I153 PolarHBondContact O-N 3.34Å
151	D	84.9	Confident	84	Confident	101 Å²	101	73.9 Å²	73.9	54%	0.54	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-76.5	-12.7	179.7	-59	-22.3	0	0	0	114.1	R100 L149	R100-D151 IonicContact CZ-OD2 2.66Å; R100-D151 IonicContact NE-OD2 3.66Å; R100-D151 IonicContact NH1-OD2 3.56Å; R100-D151 PolarHBondContact NH1-OD2 2.96Å; R100-D151 IonicContact NH2-OD2 2.89Å; R100-D151 PolarHBondContact NH2-OD2 3.15Å; L149-D151 PolarHBondContact O-N 3.41Å; L149-D151 VanDerWaalsContact O-N 3.1Å
152	E	84.5	Confident	83.1	Confident	53 Å²	53	80.1 Å²	80.1	25%	0.248	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-89.8	-9.9	174.8	-63.1	179.4	100	0	0	111.8	P148 L149 P150 D154 S164 R166	P148-E152 HydrophobicContact CB-CB 4.19Å; L149-E152 HydrophobicContact CB-CG 4.36Å; L149-E152 PolarHBondContact N-OE2 3.14Å; L149-E152 WeakPolarHBondContact O-CB 3.45Å; L149-E152 PolarHBondContact O-N 2.71Å; P150-E152 VanDerWaalsContact C-N 3.28Å; P150-E152 PolarHBondContact O-N 2.9Å; E152-D154 PolarHBondContact O-N 3.05Å; E152-S164 VanDerWaalsContact CD-OG 3.23Å; E152-S164 PolarHBondContact OE1-OG 2.97Å; E152-S164 PolarHBondContact OE2-OG 2.67Å; E152-R166 IonicContact OE2-NH1 3.75Å
153	I	83.6	Confident	82.6	Confident	91 Å²	91	83.7 Å²	83.7	47%	0.467	48%	0.481	S	S	.	.			trans	-91.9	105.4	-178.4	-58.1	171	0	0	0	108.4	P148 P150	P148-I153 HydrophobicContact CB-CG1 4.11Å; P150-I153 PolarHBondContact O-N 3.34Å
154	D	76.6	Confident	82.4	Confident	102 Å²	102	79.8 Å²	79.8	55%	0.545	46%	0.46	S	S	.	.			trans	-84.5	114.1	169.7	-176	-3.5	0	0	0	109.3	E152 D156 A157	E152-D154 PolarHBondContact O-N 3.05Å; D154-D156 PolarHBondContact O-N 2.74Å; D154-D156 PolarHBondContact OD1-N 3Å; D154-A157 HydrophobicContact CB-CB 3.79Å; D154-A157 PolarHBondContact O-N 3.1Å
155	Q	69.4	Low	82.2	Confident	186 Å²	186	83.3 Å²	83.3	87%	0.869	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.2	-179.4	-67.9	-179.6	9.6	0	0	112.8
156	D	69.3	Low	82.1	Confident	156 Å²	156	83.4 Å²	83.4	83%	0.834	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.7	-179.9	-64.5	-42.3	0	0	0	112.3	D154	D154-D156 PolarHBondContact O-N 2.74Å; D154-D156 PolarHBondContact OD1-N 3Å
157	A	73.9	Confident	82.1	Confident	46 Å²	46	84 Å²	84	38%	0.38	49%	0.49	S	S	.	.			trans	-70.5	138.4	177.6	0	0	0	0	0	111.7	D154 E159	D154-A157 HydrophobicContact CB-CB 3.79Å; D154-A157 PolarHBondContact O-N 3.1Å; A157-E159 PolarHBondContact O-N 3.31Å
158	A	62.6	Low	82.3	Confident	112 Å²	112	81.3 Å²	81.3	93%	0.926	47%	0.47	S	S	*	.	S	Bend	trans	-65.7	-19.8	178.1	0	0	0	0	0	113.4
159	E	65.8	Low	82.5	Confident	171 Å²	171	79.9 Å²	79.9	80%	0.799	46%	0.461	S	S	*	.	S	Bend	trans	-129.5	126.3	176.2	-66.8	-177.9	-178.9	0	0	109.3	A157 A161	A157-E159 PolarHBondContact O-N 3.31Å; E159-A161 PolarHBondContact O-N 3.25Å
160	E	65	Low	82.7	Confident	172 Å²	172	79.8 Å²	79.8	80%	0.804	46%	0.46	S	S	*	.			trans	-60.6	132.8	172.3	-72.2	-179.6	177.2	0	0	109.5	T162	E160-T162 PolarHBondContact O-N 3.44Å
161	A	65.6	Low	83	Confident	48 Å²	48	76.1 Å²	76.1	40%	0.397	44%	0.438	S	S	.	.			trans	-59.4	107.3	171.1	0	0	0	0	0	108.6	P148 E159	P148-A161 HydrophobicContact CB-CB 4.33Å; P148-A161 HydrophobicContact CG-CB 4.03Å; P148-A161 VanDerWaalsContact CG-O 3.22Å; P148-A161 WeakPolarHBondContact CG-O 3.31Å; E159-A161 PolarHBondContact O-N 3.25Å
162	T	80.1	Confident	83.6	Confident	131 Å²	131	76.9 Å²	76.9	80%	0.804	44%	0.439	S	S	*	.			trans	-88.1	-13.1	-179.2	52.8	0	0	0	0	112.7	E160	E160-T162 PolarHBondContact O-N 3.44Å
163	S	88.3	Confident	84.2	Confident	84 Å²	84	80.2 Å²	80.2	59%	0.587	45%	0.454	S	S	*	.	S	Bend	trans	-150.9	146.8	179.7	58.6	0	0	0	0	111.5	G146	G146-S163 CarbonylContact O-C 3.58Å; G146-S163 WeakPolarHBondContact O-CA 3.37Å
164	S	94.3	Very high	85	Confident	4 Å²	4	76.1 Å²	76.1	3%	0.028	43%	0.433	C	S	.	.			trans	-88.5	141.1	175.2	-177.1	0	0	0	0	111.3	G146 E152 R166 R209	G146-S164 PolarHBondContact O-N 3.31Å; E152-S164 VanDerWaalsContact CD-OG 3.23Å; E152-S164 PolarHBondContact OE1-OG 2.97Å; E152-S164 PolarHBondContact OE2-OG 2.67Å; S164-R166 VanDerWaalsContact OG-CG 3.25Å; S164-R166 WeakPolarHBondContact OG-CG 3.21Å; S164-R166 PolarHBondContact OG-N 2.84Å; S164-R166 PolarHBondContact OG-NH1 3.18Å; S164-R209 PolarHBondContact O-NH1 3.46Å; S164-R209 PolarHBondContact O-NH2 2.97Å
165	S	93.4	Very high	86	Confident	92 Å²	92	71.9 Å²	71.9	64%	0.643	41%	0.411	S	S	*	.			trans	-105.2	3.3	172	61.5	0	0	0	0	112.7
166	R	96.7	Very high	87.4	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	37%	0.373	C	S	.	.			trans	-60.7	141.9	-173.5	76.8	-174.9	-178.6	-83	6.4	112.2	Y144 L145 S147 E152 S164 F168 L169 R209	Y144-R166 VanDerWaalsContact CE1-NH2 3.34Å; Y144-R166 PolarHBondContact O-NH2 3.36Å; L145-R166 PolarHBondContact O-NH1 3.32Å; S147-R166 PolarHBondContact O-NH1 2.89Å; E152-R166 IonicContact OE2-NH1 3.75Å; S164-R166 VanDerWaalsContact OG-CG 3.25Å; S164-R166 WeakPolarHBondContact OG-CG 3.21Å; S164-R166 PolarHBondContact OG-N 2.84Å; S164-R166 PolarHBondContact OG-NH1 3.18Å; R166-F168 VanDerWaalsContact CD-O 3.26Å; R166-F168 WeakPolarHBondContact CD-O 3.48Å; R166-F168 VanDerWaalsContact CG-O 3.27Å; R166-F168 WeakPolarHBondContact CG-O 3.43Å; R166-F168 PolarHBondContact NE-O 2.84Å; R166-L169 PolarHBondContact NE-O 3.19Å; R166-L169 PolarHBondContact NH2-O 3.33Å; R166-R209 PolarHBondContact O-NE 3.28Å; R166-R209 PolarHBondContact O-NH2 3.46Å
167	P	98	Very high	88.8	Confident	25 Å²	25	56.5 Å²	56.5	16%	0.162	34%	0.335	C	S	.	.	S	Bend	trans	-79.7	-25.3	-179.4	30	-35.1	0	0	0	113.5	G171 Y210 A213	P167-G171 WeakPolarHBondContact CD-O 3.48Å; P167-Y210 WeakPolarHBondContact O-CD2 3.37Å; P167-A213 HydrophobicContact CB-CB 3.77Å
168	F	98.6	Very high	90	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.031	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-131.6	172.1	-174.1	-52.5	-63.1	0	0	0	112.6	R166 D170 G171 Q172 Q173 L174 Y210 A213 R217	R166-F168 VanDerWaalsContact CD-O 3.26Å; R166-F168 WeakPolarHBondContact CD-O 3.48Å; R166-F168 VanDerWaalsContact CG-O 3.27Å; R166-F168 WeakPolarHBondContact CG-O 3.43Å; R166-F168 PolarHBondContact NE-O 2.84Å; F168-D170 VanDerWaalsContact C-N 3.33Å; F168-D170 PolarHBondContact O-N 3.03Å; F168-G171 PolarHBondContact N-O 3.35Å; F168-G171 VanDerWaalsContact N-O 3.1Å; F168-G171 PolarHBondContact O-N 3.27Å; F168-Q172 WeakPolarHBondContact CD2-O 3.35Å; F168-Q172 WeakPolarHBondContact CE2-O 3.38Å; F168-Q173 VanDerWaalsContact CD2-C 3.47Å; F168-L174 HydrophobicContact CD1-CD2 3.47Å; F168-L174 VanDerWaalsContact CD1-CD2 3.47Å; F168-L174 HydrophobicContact CD1-CG 4.16Å; F168-L174 HydrophobicContact CD2-CD2 4.48Å; F168-L174 HydrophobicContact CD2-CG 4.39Å; F168-L174 HydrophobicContact CE1-CD2 3.62Å; F168-L174 HydrophobicContact CE1-CG 4.04Å; F168-L174 HydrophobicContact CE2-CG 4.28Å; F168-L174 HydrophobicContact CG-CD2 3.96Å; F168-L174 HydrophobicContact CG-CG 4.34Å; F168-L174 HydrophobicContact CZ-CD2 4.2Å; F168-L174 HydrophobicContact CZ-CG 4.1Å; F168-Y210 HydrophobicContact CB-CE2 4.33Å; F168-Y210 HydrophobicContact CD1-CD2 4.19Å; F168-Y210 AromaticContact CD1-CE2 3.99Å; F168-Y210 HydrophobicContact CD1-CE2 3.99Å; F168-A213 HydrophobicContact CE1-CB 3.9Å; F168-A213 HydrophobicContact CZ-CB 4.18Å; F168-R217 HydrophobicContact CE1-CG 4.38Å; F168-R217 HydrophobicContact CZ-CG 3.84Å
169	L	98.4	Very high	91.7	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-45.9	-169.8	-74.1	169.3	0	0	0	113.3	A107 L141 Y144 L145 R166 A177 D178 L181 Y210	A107-L169 HydrophobicContact CB-CD2 4.01Å; L141-L169 HydrophobicContact CD1-CD2 3.85Å; Y144-L169 HydrophobicContact CD1-CD2 4.13Å; Y144-L169 HydrophobicContact CE1-CD2 3.94Å; Y144-L169 PolarHBondContact OH-O 3.25Å; L145-L169 HydrophobicContact CD2-CD2 4.09Å; R166-L169 PolarHBondContact NE-O 3.19Å; R166-L169 PolarHBondContact NH2-O 3.33Å; L169-A177 HydrophobicContact CD1-CB 3.75Å; L169-D178 WeakPolarHBondContact CB-OD1 3.4Å; L169-D178 WeakPolarHBondContact CD1-OD1 3.32Å; L169-D178 VanDerWaalsContact CG-OD1 3.24Å; L169-D178 WeakPolarHBondContact CG-OD1 3.37Å; L169-D178 PolarHBondContact N-OD1 3.13Å; L169-L181 HydrophobicContact CD1-CB 4.32Å; L169-L181 HydrophobicContact CD1-CD2 3.95Å; L169-L181 HydrophobicContact CD2-CD2 4.16Å; L169-Y210 HydrophobicContact CG-CE2 4.3Å
170	D	98	Very high	93.2	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.032	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	7.6	-172.4	-159	66.3	0	0	0	114.4	A99 R100 N101 S104 L149 F168 T175	A99-D170 HydrophobicContact CB-CB 4Å; R100-D170 WeakPolarHBondContact CB-OD2 3.34Å; R100-D170 PolarHBondContact N-OD1 3.5Å; R100-D170 PolarHBondContact N-OD2 2.71Å; R100-D170 IonicContact NE-OD2 2.66Å; R100-D170 PolarHBondContact NE-OD2 3.36Å; R100-D170 PolarHBondContact NH2-O 3.39Å; N101-D170 WeakPolarHBondContact CB-OD1 3.49Å; N101-D170 PolarHBondContact N-OD1 3.24Å; N101-D170 PolarHBondContact ND2-OD1 3.42Å; S104-D170 PolarHBondContact OG-OD1 2.9Å; L149-D170 VanDerWaalsContact CD1-C 3.4Å; L149-D170 WeakPolarHBondContact CD1-O 3.49Å; F168-D170 VanDerWaalsContact C-N 3.33Å; F168-D170 PolarHBondContact O-N 3.03Å; D170-T175 HydrophobicContact CB-CG2 3.75Å
171	G	97	Very high	94.8	Very high	10 Å²	10	34.4 Å²	34.4	10%	0.103	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	142.2	-138.8	178.2	0	0	0	0	0	114	P167 F168	P167-G171 WeakPolarHBondContact CD-O 3.48Å; F168-G171 PolarHBondContact N-O 3.35Å; F168-G171 VanDerWaalsContact N-O 3.1Å; F168-G171 PolarHBondContact O-N 3.27Å
172	Q	97	Very high	96.4	Very high	117 Å²	117	32.1 Å²	32.1	55%	0.547	19%	0.187	S	C	.	.	S	Bend	trans	-84.9	-14.1	-171.7	-59.5	-60.1	-28.8	0	0	114.3	F168	F168-Q172 WeakPolarHBondContact CD2-O 3.35Å; F168-Q172 WeakPolarHBondContact CE2-O 3.38Å
173	Q	97.6	Very high	97.3	Very high	123 Å²	123	25.9 Å²	25.9	58%	0.575	15%	0.149	S	C	*	.	S	Bend	trans	-121.5	153.2	-178	-62.5	-61.3	-21.4	0	0	111	F168	F168-Q173 VanDerWaalsContact CD2-C 3.47Å
174	L	98.6	Very high	97.8	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.026	13%	0.127	C	C	.	.			trans	-66	139.4	172.9	-72.5	168	0	0	0	110.5	L37 F168 D178 L182 R217 E219	L37-L174 HydrophobicContact CD1-CB 3.72Å; L37-L174 HydrophobicContact CD1-CD1 4.39Å; L37-L174 HydrophobicContact CD2-CB 4.02Å; L37-L174 HydrophobicContact CD2-CD1 4.07Å; F168-L174 HydrophobicContact CD1-CD2 3.47Å; F168-L174 VanDerWaalsContact CD1-CD2 3.47Å; F168-L174 HydrophobicContact CD1-CG 4.16Å; F168-L174 HydrophobicContact CD2-CD2 4.48Å; F168-L174 HydrophobicContact CD2-CG 4.39Å; F168-L174 HydrophobicContact CE1-CD2 3.62Å; F168-L174 HydrophobicContact CE1-CG 4.04Å; F168-L174 HydrophobicContact CE2-CG 4.28Å; F168-L174 HydrophobicContact CG-CD2 3.96Å; F168-L174 HydrophobicContact CG-CG 4.34Å; F168-L174 HydrophobicContact CZ-CD2 4.2Å; F168-L174 HydrophobicContact CZ-CG 4.1Å; L174-D178 HydrophobicContact CD2-CB 3.57Å; L174-L182 HydrophobicContact CD2-CD1 3.79Å; L174-R217 HydrophobicContact CD1-CB 4.2Å; L174-R217 HydrophobicContact CD1-CG 4.2Å; L174-E219 HydrophobicContact CD1-CB 4.43Å
175	T	98.6	Very high	98	Very high	13 Å²	13	23.1 Å²	23.1	8%	0.08	13%	0.126	C	C	.	.			trans	-122.5	176.6	178	64.4	0	0	0	0	111.5	L97 D170 A177 D178 C179	L97-T175 CarbonylContact O-C 3.6Å; L97-T175 VanDerWaalsContact O-CA 3.27Å; L97-T175 WeakPolarHBondContact O-CA 3.42Å; L97-T175 VanDerWaalsContact O-CB 3.23Å; L97-T175 WeakPolarHBondContact O-CB 3.49Å; D170-T175 HydrophobicContact CB-CG2 3.75Å; T175-A177 PolarHBondContact O-N 3.01Å; T175-A177 PolarHBondContact OG1-N 3.04Å; T175-D178 PolarHBondContact N-OD2 3.17Å; T175-D178 WeakPolarHBondContact O-CB 3.37Å; T175-D178 PolarHBondContact O-N 2.68Å; T175-D178 VanDerWaalsContact O-N 3.11Å; T175-D178 PolarHBondContact OG1-OD2 3.3Å; T175-C179 PolarHBondContact O-N 3.12Å; T175-C179 VanDerWaalsContact O-N 3.1Å; T175-C179 PolarHBondContact O-SG 3.23Å
176	L	98.6	Very high	98.2	Very high	14 Å²	14	19.3 Å²	19.3	7%	0.073	10%	0.098	C	C	.	.	H	α-helix	trans	-57	-33.4	171.6	-62.3	-178.7	0	0	0	112.3	V34 E82 E86 L97 A98 D178 C179 N180	V34-L176 HydrophobicContact CB-CD2 4.42Å; V34-L176 HydrophobicContact CG1-CD2 3.86Å; V34-L176 HydrophobicContact CG2-CD2 3.63Å; E82-L176 HydrophobicContact CG-CD1 4.05Å; E82-L176 HydrophobicContact CG-CD2 3.84Å; E82-L176 HydrophobicContact CG-CG 4.42Å; E86-L176 HydrophobicContact CB-CD1 4.16Å; E86-L176 HydrophobicContact CG-CD1 4.05Å; L97-L176 HydrophobicContact CB-CD2 3.76Å; L97-L176 HydrophobicContact CB-CG 3.84Å; L97-L176 HydrophobicContact CD1-CD2 4.28Å; L97-L176 PolarHBondContact O-N 2.71Å; A98-L176 HydrophobicContact CB-CD1 4.31Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.08Å; L176-C179 PolarHBondContact O-N 2.89Å; L176-N180 WeakPolarHBondContact O-CB 3.38Å; L176-N180 PolarHBondContact O-N 3.42Å; L176-N180 VanDerWaalsContact O-N 3.07Å
177	A	98.4	Very high	98.3	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.033	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-41.7	176.4	0	0	0	0	0	111.5	A99 S104 L169 T175 N180 L181	A99-A177 HydrophobicContact CB-CB 4.47Å; S104-A177 WeakPolarHBondContact O-CB 3.01Å; L169-A177 HydrophobicContact CD1-CB 3.75Å; T175-A177 PolarHBondContact O-N 3.01Å; T175-A177 PolarHBondContact OG1-N 3.04Å; A177-N180 PolarHBondContact O-N 3.04Å; A177-L181 PolarHBondContact O-N 3.19Å
178	D	98.8	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-44.2	177.6	-57.1	-71.8	0	0	0	111.4	L169 L174 T175 L176 N180 L181 L182 Y210	L169-D178 WeakPolarHBondContact CB-OD1 3.4Å; L169-D178 WeakPolarHBondContact CD1-OD1 3.32Å; L169-D178 VanDerWaalsContact CG-OD1 3.24Å; L169-D178 WeakPolarHBondContact CG-OD1 3.37Å; L169-D178 PolarHBondContact N-OD1 3.13Å; L174-D178 HydrophobicContact CD2-CB 3.57Å; T175-D178 PolarHBondContact N-OD2 3.17Å; T175-D178 WeakPolarHBondContact O-CB 3.37Å; T175-D178 PolarHBondContact O-N 2.68Å; T175-D178 VanDerWaalsContact O-N 3.11Å; T175-D178 PolarHBondContact OG1-OD2 3.3Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.08Å; D178-N180 PolarHBondContact O-N 3.2Å; D178-L181 PolarHBondContact O-N 3.37Å; D178-L181 VanDerWaalsContact O-N 3.17Å; D178-L182 HydrophobicContact CB-CD1 3.97Å; D178-L182 VanDerWaalsContact O-CB 3.31Å; D178-L182 WeakPolarHBondContact O-CB 3.47Å; D178-L182 WeakPolarHBondContact O-CG 3.48Å; D178-L182 PolarHBondContact O-N 3.27Å; D178-Y210 WeakPolarHBondContact CA-OH 3.44Å; D178-Y210 WeakPolarHBondContact OD1-CE2 3.45Å; D178-Y210 PolarHBondContact OD1-OH 3.4Å
179	C	98.6	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.5	-31.7	175.5	-60.9	0	0	0	0	112.1	R30 M33 V34 L37 T175 L176 P183	R30-C179 WeakPolarHBondContact CA-O 3.26Å; R30-C179 VanDerWaalsContact CB-O 3.27Å; R30-C179 WeakPolarHBondContact CB-O 3.49Å; R30-C179 HydrophobicContact CG-CB 4.19Å; R30-C179 WeakPolarHBondContact CG-O 3.11Å; M33-C179 HydrophobicContact CB-CB 4.14Å; V34-C179 HydrophobicContact CG2-CB 3.88Å; L37-C179 WeakPolarHBondContact CD1-SG 3.21Å; T175-C179 PolarHBondContact O-N 3.12Å; T175-C179 VanDerWaalsContact O-N 3.1Å; T175-C179 PolarHBondContact O-SG 3.23Å; L176-C179 PolarHBondContact O-N 2.89Å; C179-P183 WeakPolarHBondContact O-CD 3.32Å; C179-P183 WeakPolarHBondContact O-CG 3.16Å
180	N	98.3	Very high	98.2	Very high	29 Å²	29	22 Å²	22	16%	0.155	11%	0.108	C	C	.	.	H	α-helix	trans	-79.5	-38.1	177.9	-177.5	32.2	0	0	0	113.4	R30 L176 A177 D178 K184	R30-N180 PolarHBondContact NH1-OD1 2.92Å; L176-N180 WeakPolarHBondContact O-CB 3.38Å; L176-N180 PolarHBondContact O-N 3.42Å; L176-N180 VanDerWaalsContact O-N 3.07Å; A177-N180 PolarHBondContact O-N 3.04Å; D178-N180 PolarHBondContact O-N 3.2Å; N180-K184 WeakPolarHBondContact O-CD 3.43Å; N180-K184 WeakPolarHBondContact O-CE 3.43Å; N180-K184 PolarHBondContact OD1-NZ 2.63Å
181	L	98.6	Very high	98.2	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-89.2	-42.9	-172.4	-176.7	60.9	0	0	0	113.1	L141 L169 A177 D178 K184 L185 Y210	L141-L181 HydrophobicContact CD1-CD2 3.88Å; L141-L181 HydrophobicContact CD2-CD2 3.96Å; L169-L181 HydrophobicContact CD1-CB 4.32Å; L169-L181 HydrophobicContact CD1-CD2 3.95Å; L169-L181 HydrophobicContact CD2-CD2 4.16Å; A177-L181 PolarHBondContact O-N 3.19Å; D178-L181 PolarHBondContact O-N 3.37Å; D178-L181 VanDerWaalsContact O-N 3.17Å; L181-K184 WeakPolarHBondContact O-CB 3.41Å; L181-K184 PolarHBondContact O-N 3.18Å; L181-K184 VanDerWaalsContact O-N 3.08Å; L181-L185 HydrophobicContact CD1-CD1 4.27Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CD2-CD1 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.75Å; L181-L185 HydrophobicContact CG-CG 4Å; L181-L185 PolarHBondContact O-N 2.91Å; L181-Y210 HydrophobicContact CD2-CE1 4.17Å
182	L	98.8	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-46.2	-173	-73.4	169.6	0	0	0	113.8	M33 L174 D178 K184 L185 H186 Y210 A214 F220	M33-L182 HydrophobicContact CE-CD1 3.99Å; L174-L182 HydrophobicContact CD2-CD1 3.79Å; D178-L182 HydrophobicContact CB-CD1 3.97Å; D178-L182 VanDerWaalsContact O-CB 3.31Å; D178-L182 WeakPolarHBondContact O-CB 3.47Å; D178-L182 WeakPolarHBondContact O-CG 3.48Å; D178-L182 PolarHBondContact O-N 3.27Å; L182-K184 PolarHBondContact O-N 3.47Å; L182-L185 PolarHBondContact O-N 3.09Å; L182-H186 PolarHBondContact O-N 2.82Å; L182-Y210 HydrophobicContact CD2-CD1 4.14Å; L182-Y210 HydrophobicContact CD2-CE1 3.46Å; L182-Y210 VanDerWaalsContact CD2-CE1 3.46Å; L182-Y210 HydrophobicContact CD2-CE2 4.02Å; L182-Y210 VanDerWaalsContact CD2-CZ 3.42Å; L182-Y210 HydrophobicContact CG-CE1 4.14Å; L182-Y210 HydrophobicContact CG-CE2 4.41Å; L182-Y210 WeakPolarHBondContact CG-OH 3.45Å; L182-A214 HydrophobicContact CD1-CB 3.7Å; L182-A214 HydrophobicContact CD2-CB 3.41Å; L182-A214 VanDerWaalsContact CD2-CB 3.41Å; L182-A214 HydrophobicContact CG-CB 4.19Å; L182-F220 HydrophobicContact CB-CD2 3.83Å; L182-F220 HydrophobicContact CB-CE2 3.48Å; L182-F220 VanDerWaalsContact CB-CE2 3.48Å; L182-F220 HydrophobicContact CB-CZ 3.94Å; L182-F220 HydrophobicContact CD1-CD2 4.37Å; L182-F220 HydrophobicContact CD1-CG 4.48Å
183	P	98.5	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.4	-37.9	175.9	-28.3	37.9	0	0	0	113	P26 Q29 M33 C179 I187	P26-P183 HydrophobicContact CB-CB 3.75Å; Q29-P183 HydrophobicContact CB-CB 4.05Å; Q29-P183 HydrophobicContact CB-CG 3.98Å; Q29-P183 HydrophobicContact CG-CB 4.18Å; Q29-P183 HydrophobicContact CG-CG 3.83Å; M33-P183 HydrophobicContact SD-CG 3.96Å; C179-P183 WeakPolarHBondContact O-CD 3.32Å; C179-P183 WeakPolarHBondContact O-CG 3.16Å; P183-I187 VanDerWaalsContact O-CG1 3.31Å; P183-I187 WeakPolarHBondContact O-CG1 3.3Å; P183-I187 PolarHBondContact O-N 3.2Å
184	K	98.4	Very high	98.2	Very high	31 Å²	31	20.8 Å²	20.8	14%	0.135	10%	0.1	C	C	.	.	H	α-helix	trans	-70.6	-40.5	179.6	-68	169.5	-176.5	161.2	0	111.7	P26 F112 N180 L181 L182 L188	P26-K184 HydrophobicContact CB-CG 4.02Å; F112-K184 HydrophobicContact CB-CB 4.09Å; F112-K184 HydrophobicContact CB-CD 3.89Å; F112-K184 HydrophobicContact CB-CG 4.16Å; F112-K184 HydrophobicContact CD1-CD 4.46Å; F112-K184 HydrophobicContact CD1-CG 4.33Å; F112-K184 HydrophobicContact CD2-CB 3.51Å; F112-K184 HydrophobicContact CD2-CD 4.44Å; F112-K184 HydrophobicContact CD2-CG 3.77Å; F112-K184 HydrophobicContact CE2-CB 4.11Å; F112-K184 HydrophobicContact CE2-CG 4.19Å; F112-K184 HydrophobicContact CG-CB 3.94Å; F112-K184 HydrophobicContact CG-CD 4.03Å; F112-K184 HydrophobicContact CG-CG 3.84Å; N180-K184 WeakPolarHBondContact O-CD 3.43Å; N180-K184 WeakPolarHBondContact O-CE 3.43Å; N180-K184 PolarHBondContact OD1-NZ 2.63Å; L181-K184 WeakPolarHBondContact O-CB 3.41Å; L181-K184 PolarHBondContact O-N 3.18Å; L181-K184 VanDerWaalsContact O-N 3.08Å; L182-K184 PolarHBondContact O-N 3.47Å; K184-L188 WeakPolarHBondContact O-CB 3.39Å; K184-L188 PolarHBondContact O-N 2.66Å
185	L	98.4	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67	-38.1	176.1	-72.7	177.3	0	0	0	112.1	I111 L138 L141 L181 L182 L188 K189 Y210 L211	I111-L185 HydrophobicContact CD1-CD2 4.19Å; I111-L185 HydrophobicContact CG2-CD2 4Å; L138-L185 HydrophobicContact CD2-CD2 4.3Å; L141-L185 HydrophobicContact CD2-CD1 3.99Å; L141-L185 HydrophobicContact CD2-CD2 4.37Å; L181-L185 HydrophobicContact CD1-CD1 4.27Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CD2-CD1 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.75Å; L181-L185 HydrophobicContact CG-CG 4Å; L181-L185 PolarHBondContact O-N 2.91Å; L182-L185 PolarHBondContact O-N 3.09Å; L185-L188 WeakPolarHBondContact O-CB 3.27Å; L185-L188 PolarHBondContact O-N 3.16Å; L185-K189 PolarHBondContact O-N 3.22Å; L185-Y210 HydrophobicContact CD1-CD1 4.12Å; L185-Y210 HydrophobicContact CD1-CE1 3.78Å; L185-L211 HydrophobicContact CB-CD2 4.15Å; L185-L211 HydrophobicContact CD1-CD2 4.29Å
186	H	98.4	Very high	97.9	Very high	11 Å²	11	24.8 Å²	24.8	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-49.5	175.6	-177.8	54.6	0	0	0	111.8	L182 L188 K189 V190 Y215 F220 D227 I230	L182-H186 PolarHBondContact O-N 2.82Å; H186-L188 VanDerWaalsContact C-N 3.31Å; H186-L188 PolarHBondContact O-N 3.24Å; H186-K189 PolarHBondContact O-N 3.17Å; H186-K189 VanDerWaalsContact O-N 3.15Å; H186-V190 WeakPolarHBondContact O-CG2 3.49Å; H186-V190 PolarHBondContact O-N 3.15Å; H186-Y215 AromaticContact ND1-CE1 3.63Å; H186-Y215 AromaticContact ND1-CZ 3.64Å; H186-Y215 PolarHBondContact ND1-OH 2.77Å; H186-F220 HydrophobicContact CB-CE2 4.5Å; H186-F220 HydrophobicContact CB-CZ 3.92Å; H186-D227 IonicContact CE1-OD1 3.88Å; H186-D227 IonicContact NE2-OD1 2.87Å; H186-I230 WeakPolarHBondContact NE2-CD1 3.44Å
187	I	98.3	Very high	97.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-46.8	175.4	-68	167.7	0	0	0	110.7	N24 P26 F112 F115 P183 K189 V190 V191 I230 Y234	N24-I187 VanDerWaalsContact OD1-CD1 3.24Å; N24-I187 WeakPolarHBondContact OD1-CD1 3.48Å; N24-I187 WeakPolarHBondContact OD1-CG1 3.13Å; P26-I187 HydrophobicContact CB-CD1 3.74Å; P26-I187 HydrophobicContact CG-CD1 3.77Å; F112-I187 HydrophobicContact CE2-CB 4.31Å; F112-I187 HydrophobicContact CE2-CD1 4.43Å; F112-I187 HydrophobicContact CE2-CG2 4.11Å; F115-I187 HydrophobicContact CE1-CG2 3.98Å; F115-I187 HydrophobicContact CZ-CG2 4.27Å; P183-I187 VanDerWaalsContact O-CG1 3.31Å; P183-I187 WeakPolarHBondContact O-CG1 3.3Å; P183-I187 PolarHBondContact O-N 3.2Å; I187-K189 VanDerWaalsContact C-N 3.34Å; I187-K189 PolarHBondContact O-N 3.03Å; I187-V190 PolarHBondContact O-N 3.18Å; I187-V191 HydrophobicContact CG2-CG2 3.96Å; I187-V191 VanDerWaalsContact O-CB 3.26Å; I187-V191 WeakPolarHBondContact O-CB 3.24Å; I187-V191 WeakPolarHBondContact O-CG2 3.38Å; I187-V191 PolarHBondContact O-N 3.42Å; I187-I230 HydrophobicContact CB-CG2 4.41Å; I187-I230 HydrophobicContact CG1-CG2 4.21Å; I187-I230 HydrophobicContact CG2-CG2 4.15Å; I187-Y234 HydrophobicContact CG2-CD2 4.34Å; I187-Y234 HydrophobicContact CG2-CE2 3.42Å; I187-Y234 VanDerWaalsContact CG2-CE2 3.42Å; I187-Y234 WeakPolarHBondContact CG2-OH 3.34Å
188	L	98	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.9	-50.4	176.7	178.9	167	0	0	0	111.1	I111 F115 L134 K184 L185 H186 S192 F198 I200	I111-L188 HydrophobicContact CG2-CD1 3.47Å; I111-L188 VanDerWaalsContact CG2-CD1 3.47Å; F115-L188 HydrophobicContact CB-CD1 3.92Å; F115-L188 HydrophobicContact CB-CG 4.18Å; F115-L188 HydrophobicContact CD1-CB 4.4Å; F115-L188 HydrophobicContact CD2-CB 4.16Å; F115-L188 HydrophobicContact CD2-CD1 4.49Å; F115-L188 HydrophobicContact CD2-CG 3.83Å; F115-L188 HydrophobicContact CE2-CB 4.47Å; F115-L188 HydrophobicContact CE2-CG 4.46Å; F115-L188 HydrophobicContact CG-CB 4.12Å; F115-L188 HydrophobicContact CG-CD1 4.26Å; F115-L188 HydrophobicContact CG-CG 4Å; L134-L188 HydrophobicContact CD1-CD1 3.78Å; L134-L188 HydrophobicContact CD2-CD1 4.44Å; K184-L188 WeakPolarHBondContact O-CB 3.39Å; K184-L188 PolarHBondContact O-N 2.66Å; L185-L188 WeakPolarHBondContact O-CB 3.27Å; L185-L188 PolarHBondContact O-N 3.16Å; H186-L188 VanDerWaalsContact C-N 3.31Å; H186-L188 PolarHBondContact O-N 3.24Å; L188-S192 WeakPolarHBondContact O-CB 3.37Å; L188-S192 PolarHBondContact O-N 3.48Å; L188-S192 PolarHBondContact O-OG 3.3Å; L188-F198 HydrophobicContact CD2-CE1 4.4Å; L188-I200 HydrophobicContact CD2-CD1 4.34Å; L188-I200 HydrophobicContact CD2-CG1 4.21Å
189	K	97.9	Very high	97.5	Very high	75 Å²	75	35.1 Å²	35.1	33%	0.326	17%	0.171	S	C	.	.	H	α-helix	trans	-58.6	-51.2	-178.7	-179.2	-170.1	171.9	-166.1	0	111.4	L185 H186 I187 L193	L185-K189 PolarHBondContact O-N 3.22Å; H186-K189 PolarHBondContact O-N 3.17Å; H186-K189 VanDerWaalsContact O-N 3.15Å; I187-K189 VanDerWaalsContact C-N 3.34Å; I187-K189 PolarHBondContact O-N 3.03Å; K189-L193 WeakPolarHBondContact O-CB 3.32Å; K189-L193 PolarHBondContact O-N 3.13Å
190	V	98	Very high	97.5	Very high	14 Å²	14	35.3 Å²	35.3	9%	0.085	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-48.9	-176.4	173	0	0	0	0	111.3	H186 I187 K194 D227 I230 L231	H186-V190 WeakPolarHBondContact O-CG2 3.49Å; H186-V190 PolarHBondContact O-N 3.15Å; I187-V190 PolarHBondContact O-N 3.18Å; V190-K194 PolarHBondContact O-N 3.36Å; V190-D227 HydrophobicContact CG1-CB 4.11Å; V190-I230 HydrophobicContact CB-CD1 4.42Å; V190-I230 HydrophobicContact CB-CG2 4.35Å; V190-I230 HydrophobicContact CG1-CB 4.19Å; V190-I230 HydrophobicContact CG1-CD1 4.42Å; V190-I230 HydrophobicContact CG1-CG2 4.13Å; V190-I230 HydrophobicContact CG2-CD1 4.24Å; V190-L231 HydrophobicContact CG1-CD2 3.74Å; V190-L231 HydrophobicContact CG1-CG 3.94Å
191	V	98	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-72.2	-43.3	-174.5	177.9	0	0	0	0	111.4	F115 I119 I187 L193 K194 Y195 I230 Y234	F115-V191 HydrophobicContact CE2-CB 4.14Å; F115-V191 HydrophobicContact CE2-CG1 4.12Å; F115-V191 HydrophobicContact CZ-CB 3.77Å; F115-V191 HydrophobicContact CZ-CG1 3.8Å; F115-V191 HydrophobicContact CZ-CG2 4.33Å; I119-V191 HydrophobicContact CD1-CG1 3.86Å; I119-V191 HydrophobicContact CG1-CG1 3.67Å; I187-V191 HydrophobicContact CG2-CG2 3.96Å; I187-V191 VanDerWaalsContact O-CB 3.26Å; I187-V191 WeakPolarHBondContact O-CB 3.24Å; I187-V191 WeakPolarHBondContact O-CG2 3.38Å; I187-V191 PolarHBondContact O-N 3.42Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 3.03Å; V191-K194 PolarHBondContact O-N 3.23Å; V191-Y195 HydrophobicContact CG1-CD2 3.68Å; V191-Y195 HydrophobicContact CG1-CE2 4.2Å; V191-Y195 WeakPolarHBondContact O-CD2 3.29Å; V191-Y195 PolarHBondContact O-N 3.39Å; V191-I230 HydrophobicContact CG2-CG2 3.56Å; V191-Y234 HydrophobicContact CB-CG 4.44Å; V191-Y234 HydrophobicContact CG1-CD1 3.76Å; V191-Y234 HydrophobicContact CG1-CE1 4.46Å; V191-Y234 HydrophobicContact CG1-CG 3.8Å; V191-Y234 HydrophobicContact CG2-CD1 4.22Å; V191-Y234 HydrophobicContact CG2-CD2 3.61Å; V191-Y234 HydrophobicContact CG2-CE2 4.06Å; V191-Y234 HydrophobicContact CG2-CG 3.69Å
192	S	96.5	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67	-36.3	-176.9	-51.9	0	0	0	0	111.8	F115 L188 R196 N197 F198	F115-S192 WeakPolarHBondContact CE2-OG 3.45Å; L188-S192 WeakPolarHBondContact O-CB 3.37Å; L188-S192 PolarHBondContact O-N 3.48Å; L188-S192 PolarHBondContact O-OG 3.3Å; S192-R196 CarbonylContact O-C 3.3Å; S192-R196 WeakPolarHBondContact O-CA 3.39Å; S192-R196 WeakPolarHBondContact O-CB 3.26Å; S192-R196 PolarHBondContact O-N 2.87Å; S192-N197 PolarHBondContact O-N 3.18Å; S192-N197 VanDerWaalsContact O-N 3.15Å; S192-F198 CarbonylContact C-O 3.58Å; S192-F198 VanDerWaalsContact C-O 3.3Å; S192-F198 PolarHBondContact O-N 2.96Å; S192-F198 VanDerWaalsContact O-N 3.13Å
193	L	97	Very high	97.4	Very high	91 Å²	91	46.6 Å²	46.6	48%	0.476	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-50.8	173.4	177.1	61	0	0	0	110.7	K189 V191 N197 F198 T199	K189-L193 WeakPolarHBondContact O-CB 3.32Å; K189-L193 PolarHBondContact O-N 3.13Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 3.03Å; L193-N197 WeakPolarHBondContact O-CA 3.25Å; L193-N197 PolarHBondContact O-N 2.88Å; L193-N197 VanDerWaalsContact O-N 3.16Å; L193-F198 WeakPolarHBondContact CA-O 3.43Å; L193-F198 PolarHBondContact N-O 2.95Å; L193-T199 HydrophobicContact CD1-CG2 3.79Å
194	K	96.8	Very high	97.4	Very high	140 Å²	140	46.6 Å²	46.6	61%	0.609	24%	0.237	S	C	*	.	H	α-helix	trans	-66.5	-43.3	-175.5	-179.3	62.9	174.6	-177.4	0	113.9	V190 V191 L231	V190-K194 PolarHBondContact O-N 3.36Å; V191-K194 PolarHBondContact O-N 3.23Å; K194-L231 HydrophobicContact CB-CD1 4.29Å; K194-L231 HydrophobicContact CB-CD2 3.44Å; K194-L231 VanDerWaalsContact CB-CD2 3.44Å; K194-L231 HydrophobicContact CB-CG 4.5Å; K194-L231 HydrophobicContact CD-CD1 4.29Å; K194-L231 HydrophobicContact CG-CD1 4.02Å; K194-L231 HydrophobicContact CG-CD2 3.71Å; K194-L231 HydrophobicContact CG-CG 4.42Å
195	Y	95.9	Very high	97.4	Very high	63 Å²	63	49.2 Å²	49.2	25%	0.247	26%	0.256	C	S	.	.	H	α-helix	trans	-105.4	-11.2	-166.6	-68.5	-74.8	0	0	0	114.6	V191 L231 S235 A238	V191-Y195 HydrophobicContact CG1-CD2 3.68Å; V191-Y195 HydrophobicContact CG1-CE2 4.2Å; V191-Y195 WeakPolarHBondContact O-CD2 3.29Å; V191-Y195 PolarHBondContact O-N 3.39Å; Y195-L231 HydrophobicContact CD2-CD2 4.42Å; Y195-L231 HydrophobicContact CE2-CD2 3.89Å; Y195-L231 PolarHBondContact OH-O 3.29Å; Y195-S235 WeakPolarHBondContact OH-CA 3.43Å; Y195-S235 WeakPolarHBondContact OH-CB 3.44Å; Y195-S235 PolarHBondContact OH-N 2.96Å; Y195-A238 HydrophobicContact CD1-CB 3.6Å; Y195-A238 HydrophobicContact CD2-CB 3.77Å; Y195-A238 HydrophobicContact CE1-CB 3.98Å; Y195-A238 HydrophobicContact CE2-CB 4.11Å; Y195-A238 HydrophobicContact CG-CB 3.49Å; Y195-A238 VanDerWaalsContact CG-CB 3.49Å
196	R	94.9	Very high	97.4	Very high	40 Å²	40	50.4 Å²	50.4	15%	0.151	26%	0.262	C	S	.	.	H	α-helix	trans	-133.9	-4.4	179.6	-67	-67.2	-176.6	-91.8	2.5	113.9	Y118 I119 N121 S192 F198 K239	Y118-R196 HydrophobicContact CE1-CB 4.01Å; Y118-R196 HydrophobicContact CE1-CG 3.75Å; I119-R196 HydrophobicContact CD1-CG 3.83Å; I119-R196 PolarHBondContact O-NH2 2.89Å; I119-R196 VanDerWaalsContact O-NH2 3.14Å; N121-R196 PolarHBondContact O-NH2 3.3Å; S192-R196 CarbonylContact O-C 3.3Å; S192-R196 WeakPolarHBondContact O-CA 3.39Å; S192-R196 WeakPolarHBondContact O-CB 3.26Å; S192-R196 PolarHBondContact O-N 2.87Å; R196-F198 HydrophobicContact CB-CB 4.13Å; R196-F198 PolarHBondContact O-N 2.96Å; R196-F198 VanDerWaalsContact O-N 3.17Å; R196-K239 VanDerWaalsContact CZ-O 3.22Å; R196-K239 PolarHBondContact NH1-O 3.43Å; R196-K239 PolarHBondContact NH2-O 3.23Å
197	N	95.1	Very high	97.4	Very high	137 Å²	137	49.9 Å²	49.9	73%	0.733	26%	0.26	S	S	*	.			trans	53.2	29.2	-170.2	-163.2	52.1	0	0	0	112.4	S192 L193	S192-N197 PolarHBondContact O-N 3.18Å; S192-N197 VanDerWaalsContact O-N 3.15Å; L193-N197 WeakPolarHBondContact O-CA 3.25Å; L193-N197 PolarHBondContact O-N 2.88Å; L193-N197 VanDerWaalsContact O-N 3.16Å
198	F	96.6	Very high	97.4	Very high	14 Å²	14	51.7 Å²	51.7	6%	0.061	27%	0.267	C	S	.	.			trans	-94.8	128.9	178	171.6	-84.9	0	0	0	109	Y118 E131 L134 M135 L138 L188 S192 L193 R196	Y118-F198 HydrophobicContact CE1-CB 4.37Å; Y118-F198 HydrophobicContact CE1-CG 4.47Å; E131-F198 HydrophobicContact CG-CD2 4.07Å; E131-F198 HydrophobicContact CG-CE2 4.1Å; L134-F198 HydrophobicContact CD2-CE1 4.08Å; L134-F198 HydrophobicContact CD2-CZ 4.23Å; M135-F198 HydrophobicContact CG-CE2 4.12Å; M135-F198 HydrophobicContact CG-CZ 4.39Å; M135-F198 HydrophobicContact SD-CE2 3.63Å; M135-F198 HydrophobicContact SD-CZ 3.53Å; M135-F198 VanDerWaalsContact SD-CZ 3.53Å; L138-F198 HydrophobicContact CD1-CE1 4.31Å; L138-F198 HydrophobicContact CD1-CZ 4.06Å; L188-F198 HydrophobicContact CD2-CE1 4.4Å; S192-F198 CarbonylContact C-O 3.58Å; S192-F198 VanDerWaalsContact C-O 3.3Å; S192-F198 PolarHBondContact O-N 2.96Å; S192-F198 VanDerWaalsContact O-N 3.13Å; L193-F198 WeakPolarHBondContact CA-O 3.43Å; L193-F198 PolarHBondContact N-O 2.95Å; R196-F198 HydrophobicContact CB-CB 4.13Å; R196-F198 PolarHBondContact O-N 2.96Å; R196-F198 VanDerWaalsContact O-N 3.17Å
199	T	97.4	Very high	97.4	Very high	84 Å²	84	55 Å²	55	52%	0.515	28%	0.279	S	S	.	.			trans	-116.7	151.3	170.7	53.4	0	0	0	0	109.7	L193 P201	L193-T199 HydrophobicContact CD1-CG2 3.79Å; T199-P201 VanDerWaalsContact O-CD 3.31Å; T199-P201 WeakPolarHBondContact O-CD 3.21Å
200	I	97.8	Very high	97.5	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.015	26%	0.264	C	S	.	.			trans	-62.5	122.6	168.7	-60.4	174.8	0	0	0	106.7	L138 L188 E202 L204 V207 W208 L211	L138-I200 HydrophobicContact CD1-CG1 4.39Å; L188-I200 HydrophobicContact CD2-CD1 4.34Å; L188-I200 HydrophobicContact CD2-CG1 4.21Å; I200-E202 PolarHBondContact O-N 2.92Å; I200-L204 HydrophobicContact CG2-CB 4.37Å; I200-L204 HydrophobicContact CG2-CD1 3.96Å; I200-V207 HydrophobicContact CD1-CG1 4.43Å; I200-V207 HydrophobicContact CG2-CG1 4.13Å; I200-W208 HydrophobicContact CB-CZ2 4.12Å; I200-W208 WeakPolarHBondContact O-CZ2 3.45Å; I200-W208 PolarHBondContact O-NE1 3.42Å; I200-L211 HydrophobicContact CD1-CD1 3.77Å
201	P	97.8	Very high	97.5	Very high	39 Å²	39	50.8 Å²	50.8	25%	0.253	26%	0.26	S	S	.	.			trans	-60.5	138.9	-176.1	-29.5	39.4	0	0	0	112.4	M135 T199 S203 L204 W208	M135-P201 HydrophobicContact CE-CG 3.52Å; M135-P201 HydrophobicContact SD-CG 3.83Å; T199-P201 VanDerWaalsContact O-CD 3.31Å; T199-P201 WeakPolarHBondContact O-CD 3.21Å; P201-S203 PolarHBondContact O-N 3.29Å; P201-S203 VanDerWaalsContact O-N 3.09Å; P201-L204 WeakPolarHBondContact O-CB 3.25Å; P201-L204 PolarHBondContact O-N 2.82Å; P201-W208 PolarHBondContact O-NE1 2.89Å
202	E	97.3	Very high	97.5	Very high	143 Å²	143	55.3 Å²	55.3	67%	0.668	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.6	176.5	-62.8	-63.6	157.9	0	0	112.9	I200 L204	I200-E202 PolarHBondContact O-N 2.92Å; E202-L204 PolarHBondContact O-N 3.27Å
203	S	97.9	Very high	97.6	Very high	92 Å²	92	56.4 Å²	56.4	64%	0.643	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.8	173.2	61.3	0	0	0	0	113.7	P201 T205	P201-S203 PolarHBondContact O-N 3.29Å; P201-S203 VanDerWaalsContact O-N 3.09Å; S203-T205 PolarHBondContact O-N 3.27Å; S203-T205 VanDerWaalsContact O-N 3.08Å
204	L	98.4	Very high	97.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.			trans	-84.5	66.2	174.1	-57.5	-175.6	0	0	0	109.8	M135 L138 D142 I200 P201 E202 N206 V207 W208	M135-L204 HydrophobicContact CE-CD1 4.16Å; L138-L204 HydrophobicContact CB-CD1 3.74Å; D142-L204 HydrophobicContact CB-CB 4.31Å; D142-L204 HydrophobicContact CB-CD2 3.95Å; D142-L204 VanDerWaalsContact OD1-CA 3.26Å; D142-L204 WeakPolarHBondContact OD1-CA 3.33Å; I200-L204 HydrophobicContact CG2-CB 4.37Å; I200-L204 HydrophobicContact CG2-CD1 3.96Å; P201-L204 WeakPolarHBondContact O-CB 3.25Å; P201-L204 PolarHBondContact O-N 2.82Å; E202-L204 PolarHBondContact O-N 3.27Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 3.17Å; L204-V207 HydrophobicContact CB-CB 4.18Å; L204-V207 HydrophobicContact CB-CG2 4.36Å; L204-V207 PolarHBondContact O-N 3.32Å; L204-W208 VanDerWaalsContact O-CD1 3.28Å; L204-W208 PolarHBondContact O-N 2.85Å
205	T	98.4	Very high	97.8	Very high	87 Å²	87	48.2 Å²	48.2	53%	0.534	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-31	-169.7	57.6	0	0	0	0	112.8	D142 S203 W208 R209	D142-T205 PolarHBondContact OD1-N 2.94Å; S203-T205 PolarHBondContact O-N 3.27Å; S203-T205 VanDerWaalsContact O-N 3.08Å; T205-W208 PolarHBondContact O-N 2.89Å; T205-R209 WeakPolarHBondContact O-CB 3.42Å; T205-R209 PolarHBondContact O-N 3.1Å
206	N	98.5	Very high	97.9	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.134	27%	0.274	C	S	.	.	H	α-helix	trans	-75.3	-38.8	179.6	-55.1	-66.3	0	0	0	111	D142 L145 L204 W208 R209 Y210	D142-N206 WeakPolarHBondContact O-CB 3.38Å; D142-N206 PolarHBondContact O-ND2 2.77Å; D142-N206 WeakPolarHBondContact OD1-CA 3.41Å; D142-N206 VanDerWaalsContact OD1-CB 3.32Å; D142-N206 WeakPolarHBondContact OD1-CB 3.31Å; D142-N206 PolarHBondContact OD1-N 3Å; D142-N206 PolarHBondContact OD2-ND2 3.43Å; D142-N206 VanDerWaalsContact OD2-ND2 3.11Å; L145-N206 HydrophobicContact CB-CB 3.64Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 3.17Å; N206-W208 VanDerWaalsContact C-N 3.33Å; N206-R209 PolarHBondContact O-N 3.18Å; N206-R209 PolarHBondContact OD1-NH1 2.93Å; N206-Y210 WeakPolarHBondContact O-CB 3.45Å; N206-Y210 PolarHBondContact O-N 3.08Å
207	V	98.6	Very high	98	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-42.4	171.3	175.2	0	0	0	0	110.7	L141 D142 L145 I200 L204 Y210 L211	L141-V207 HydrophobicContact CD2-CG2 4.23Å; L141-V207 HydrophobicContact CG-CG2 4.18Å; D142-V207 HydrophobicContact CB-CG2 3.69Å; D142-V207 PolarHBondContact OD1-N 2.71Å; L145-V207 HydrophobicContact CD1-CG2 4.2Å; I200-V207 HydrophobicContact CD1-CG1 4.43Å; I200-V207 HydrophobicContact CG2-CG1 4.13Å; L204-V207 HydrophobicContact CB-CB 4.18Å; L204-V207 HydrophobicContact CB-CG2 4.36Å; L204-V207 PolarHBondContact O-N 3.32Å; V207-Y210 WeakPolarHBondContact O-CB 3.28Å; V207-Y210 PolarHBondContact O-N 3.4Å; V207-L211 HydrophobicContact CG1-CD1 4.03Å; V207-L211 HydrophobicContact CG1-CG 4.36Å; V207-L211 WeakPolarHBondContact O-CG 3.48Å; V207-L211 PolarHBondContact O-N 3.29Å
208	W	98.6	Very high	98.2	Very high	39 Å²	39	49.8 Å²	49.8	15%	0.148	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-40.8	175.9	-81	114.3	0	0	0	112.6	I200 P201 L204 T205 N206 Y210 L211 N212	I200-W208 HydrophobicContact CB-CZ2 4.12Å; I200-W208 WeakPolarHBondContact O-CZ2 3.45Å; I200-W208 PolarHBondContact O-NE1 3.42Å; P201-W208 PolarHBondContact O-NE1 2.89Å; L204-W208 VanDerWaalsContact O-CD1 3.28Å; L204-W208 PolarHBondContact O-N 2.85Å; T205-W208 PolarHBondContact O-N 2.89Å; N206-W208 VanDerWaalsContact C-N 3.33Å; W208-Y210 VanDerWaalsContact C-N 3.31Å; W208-Y210 PolarHBondContact O-N 2.77Å; W208-L211 HydrophobicContact CE3-CD1 4.33Å; W208-L211 HydrophobicContact CZ3-CD1 4.48Å; W208-L211 PolarHBondContact O-N 3.32Å; W208-N212 VanDerWaalsContact O-CB 3.28Å; W208-N212 WeakPolarHBondContact O-CB 3.45Å; W208-N212 PolarHBondContact O-N 2.95Å; W208-N212 PolarHBondContact O-ND2 3.28Å
209	R	98.6	Very high	98.2	Very high	69 Å²	69	50.6 Å²	50.6	26%	0.26	28%	0.275	S	S	.	.	H	α-helix	trans	-55	-48.3	171.2	-177.3	179	70.5	-120.1	0.4	110.9	L145 S164 R166 T205 N206 N212 A213	L145-R209 PolarHBondContact O-NH2 3.09Å; S164-R209 PolarHBondContact O-NH1 3.46Å; S164-R209 PolarHBondContact O-NH2 2.97Å; R166-R209 PolarHBondContact O-NE 3.28Å; R166-R209 PolarHBondContact O-NH2 3.46Å; T205-R209 WeakPolarHBondContact O-CB 3.42Å; T205-R209 PolarHBondContact O-N 3.1Å; N206-R209 PolarHBondContact O-N 3.18Å; N206-R209 PolarHBondContact OD1-NH1 2.93Å; R209-N212 PolarHBondContact O-N 3.11Å; R209-A213 WeakPolarHBondContact O-CB 3.25Å; R209-A213 PolarHBondContact O-N 2.8Å
210	Y	98.8	Very high	98.3	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-49.7	178.5	175.8	-127.9	0	0	0	112.8	L145 P167 F168 L169 D178 L181 L182 L185 N206 V207 W208 N212 A213 A214	L145-Y210 HydrophobicContact CD1-CD1 4.14Å; L145-Y210 HydrophobicContact CD1-CG 4.06Å; L145-Y210 HydrophobicContact CD2-CD2 4.38Å; L145-Y210 HydrophobicContact CD2-CG 4.25Å; P167-Y210 WeakPolarHBondContact O-CD2 3.37Å; F168-Y210 HydrophobicContact CB-CE2 4.33Å; F168-Y210 HydrophobicContact CD1-CD2 4.19Å; F168-Y210 AromaticContact CD1-CE2 3.99Å; F168-Y210 HydrophobicContact CD1-CE2 3.99Å; L169-Y210 HydrophobicContact CG-CE2 4.3Å; D178-Y210 WeakPolarHBondContact CA-OH 3.44Å; D178-Y210 WeakPolarHBondContact OD1-CE2 3.45Å; D178-Y210 PolarHBondContact OD1-OH 3.4Å; L181-Y210 HydrophobicContact CD2-CE1 4.17Å; L182-Y210 HydrophobicContact CD2-CD1 4.14Å; L182-Y210 HydrophobicContact CD2-CE1 3.46Å; L182-Y210 VanDerWaalsContact CD2-CE1 3.46Å; L182-Y210 HydrophobicContact CD2-CE2 4.02Å; L182-Y210 VanDerWaalsContact CD2-CZ 3.42Å; L182-Y210 HydrophobicContact CG-CE1 4.14Å; L182-Y210 HydrophobicContact CG-CE2 4.41Å; L182-Y210 WeakPolarHBondContact CG-OH 3.45Å; L185-Y210 HydrophobicContact CD1-CD1 4.12Å; L185-Y210 HydrophobicContact CD1-CE1 3.78Å; N206-Y210 WeakPolarHBondContact O-CB 3.45Å; N206-Y210 PolarHBondContact O-N 3.08Å; V207-Y210 WeakPolarHBondContact O-CB 3.28Å; V207-Y210 PolarHBondContact O-N 3.4Å; W208-Y210 VanDerWaalsContact C-N 3.31Å; W208-Y210 PolarHBondContact O-N 2.77Å; Y210-N212 PolarHBondContact O-N 2.93Å; Y210-A213 PolarHBondContact O-N 3.31Å; Y210-A214 WeakPolarHBondContact O-CB 3.27Å; Y210-A214 PolarHBondContact O-N 2.82Å
211	L	98.6	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-44.7	179	-72.7	175.5	0	0	0	111.7	L185 I200 V207 W208 A214 Y215	L185-L211 HydrophobicContact CB-CD2 4.15Å; L185-L211 HydrophobicContact CD1-CD2 4.29Å; I200-L211 HydrophobicContact CD1-CD1 3.77Å; V207-L211 HydrophobicContact CG1-CD1 4.03Å; V207-L211 HydrophobicContact CG1-CG 4.36Å; V207-L211 WeakPolarHBondContact O-CG 3.48Å; V207-L211 PolarHBondContact O-N 3.29Å; W208-L211 HydrophobicContact CE3-CD1 4.33Å; W208-L211 HydrophobicContact CZ3-CD1 4.48Å; W208-L211 PolarHBondContact O-N 3.32Å; L211-A214 PolarHBondContact O-N 2.72Å; L211-Y215 HydrophobicContact CB-CD2 4.35Å; L211-Y215 HydrophobicContact CB-CE2 4.13Å; L211-Y215 HydrophobicContact CD2-CE2 4.33Å; L211-Y215 WeakPolarHBondContact O-CD2 3.02Å; L211-Y215 PolarHBondContact O-N 3.25Å
212	N	98.6	Very high	98.1	Very high	95 Å²	95	49.7 Å²	49.7	51%	0.508	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-42.6	179.9	-68.5	-18.3	0	0	0	111.3	W208 R209 Y210 A214 Y215 A216	W208-N212 VanDerWaalsContact O-CB 3.28Å; W208-N212 WeakPolarHBondContact O-CB 3.45Å; W208-N212 PolarHBondContact O-N 2.95Å; W208-N212 PolarHBondContact O-ND2 3.28Å; R209-N212 PolarHBondContact O-N 3.11Å; Y210-N212 PolarHBondContact O-N 2.93Å; N212-A214 VanDerWaalsContact C-N 3.34Å; N212-A214 PolarHBondContact O-N 2.78Å; N212-Y215 PolarHBondContact O-N 3.32Å; N212-A216 PolarHBondContact O-N 2.98Å
213	A	98.6	Very high	98.1	Very high	23 Å²	23	42.9 Å²	42.9	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-42.9	173.6	0	0	0	0	0	111.6	P167 F168 R209 Y210 A216 R217	P167-A213 HydrophobicContact CB-CB 3.77Å; F168-A213 HydrophobicContact CE1-CB 3.9Å; F168-A213 HydrophobicContact CZ-CB 4.18Å; R209-A213 WeakPolarHBondContact O-CB 3.25Å; R209-A213 PolarHBondContact O-N 2.8Å; Y210-A213 PolarHBondContact O-N 3.31Å; A213-A216 PolarHBondContact O-N 3.2Å; A213-R217 WeakPolarHBondContact O-CG 3.49Å
214	A	98.5	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-45.3	178.3	0	0	0	0	0	112.9	L182 Y210 L211 N212 A216 R217 F220	L182-A214 HydrophobicContact CD1-CB 3.7Å; L182-A214 HydrophobicContact CD2-CB 3.41Å; L182-A214 VanDerWaalsContact CD2-CB 3.41Å; L182-A214 HydrophobicContact CG-CB 4.19Å; Y210-A214 WeakPolarHBondContact O-CB 3.27Å; Y210-A214 PolarHBondContact O-N 2.82Å; L211-A214 PolarHBondContact O-N 2.72Å; N212-A214 VanDerWaalsContact C-N 3.34Å; N212-A214 PolarHBondContact O-N 2.78Å; A214-A216 PolarHBondContact O-N 3.08Å; A214-R217 WeakPolarHBondContact O-CB 2.96Å; A214-R217 PolarHBondContact O-N 3.15Å; A214-F220 HydrophobicContact CB-CD1 3.85Å; A214-F220 HydrophobicContact CB-CE1 4.13Å; A214-F220 HydrophobicContact CB-CG 4.4Å; A214-F220 WeakPolarHBondContact O-CD1 3.48Å
215	Y	98.3	Very high	97.8	Very high	59 Å²	59	40.1 Å²	40.1	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-23.8	178.1	-74.1	-65.3	0	0	0	113	H186 L211 N212 R217 F220	H186-Y215 AromaticContact ND1-CE1 3.63Å; H186-Y215 AromaticContact ND1-CZ 3.64Å; H186-Y215 PolarHBondContact ND1-OH 2.77Å; L211-Y215 HydrophobicContact CB-CD2 4.35Å; L211-Y215 HydrophobicContact CB-CE2 4.13Å; L211-Y215 HydrophobicContact CD2-CE2 4.33Å; L211-Y215 WeakPolarHBondContact O-CD2 3.02Å; L211-Y215 PolarHBondContact O-N 3.25Å; N212-Y215 PolarHBondContact O-N 3.32Å; Y215-R217 VanDerWaalsContact C-N 3.26Å; Y215-R217 PolarHBondContact O-N 3.48Å; Y215-F220 HydrophobicContact CD1-CD1 4.06Å; Y215-F220 AromaticContact CD1-CE1 3.62Å; Y215-F220 HydrophobicContact CD1-CE1 3.62Å; Y215-F220 HydrophobicContact CE1-CD1 4.38Å; Y215-F220 AromaticContact CE1-CE1 3.53Å; Y215-F220 HydrophobicContact CE1-CE1 3.53Å; Y215-F220 HydrophobicContact CE1-CZ 4.24Å; Y215-F220 HydrophobicContact CE2-CE1 4.49Å; Y215-F220 HydrophobicContact CG-CE1 4.16Å; Y215-F220 AromaticContact CZ-CE1 3.97Å
216	A	98.3	Very high	97.7	Very high	84 Å²	84	40 Å²	40	69%	0.694	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.3	173.1	0	0	0	0	0	113.7	N212 A213 A214	N212-A216 PolarHBondContact O-N 2.98Å; A213-A216 PolarHBondContact O-N 3.2Å; A214-A216 PolarHBondContact O-N 3.08Å
217	R	98.3	Very high	97.6	Very high	54 Å²	54	43 Å²	43	20%	0.204	24%	0.24	C	C	.	.			trans	-96.3	126.6	178.3	-67.5	-65.5	-67.2	-106.4	5	110.7	F168 L174 A213 A214 Y215 E219 F220 S221	F168-R217 HydrophobicContact CE1-CG 4.38Å; F168-R217 HydrophobicContact CZ-CG 3.84Å; L174-R217 HydrophobicContact CD1-CB 4.2Å; L174-R217 HydrophobicContact CD1-CG 4.2Å; A213-R217 WeakPolarHBondContact O-CG 3.49Å; A214-R217 WeakPolarHBondContact O-CB 2.96Å; A214-R217 PolarHBondContact O-N 3.15Å; Y215-R217 VanDerWaalsContact C-N 3.26Å; Y215-R217 PolarHBondContact O-N 3.48Å; R217-E219 WeakPolarHBondContact CB-OE2 3.4Å; R217-E219 IonicContact CZ-OE1 2.71Å; R217-E219 IonicContact CZ-OE2 2.67Å; R217-E219 IonicContact NE-OE1 3.47Å; R217-E219 IonicContact NE-OE2 3.86Å; R217-E219 PolarHBondContact NE-OE2 3.48Å; R217-E219 IonicContact NH2-OE1 3.79Å; R217-E219 PolarHBondContact NH2-OE1 3.32Å; R217-E219 IonicContact NH2-OE2 2.7Å; R217-E219 PolarHBondContact O-N 3.27Å; R217-F220 PolarHBondContact O-N 3.13Å; R217-S221 PolarHBondContact O-N 3.32Å; R217-S221 PolarHBondContact O-OG 3.2Å; R217-S221 VanDerWaalsContact O-OG 3.09Å
218	E	97.7	Very high	97.4	Very high	134 Å²	134	46.9 Å²	46.9	63%	0.626	26%	0.264	S	S	*	.	H	α-helix	trans	-60.8	-35.8	178.5	-66.9	-172	168.8	0	0	111.8	F220 S221 A222	E218-F220 PolarHBondContact O-N 2.86Å; E218-F220 VanDerWaalsContact O-N 3.11Å; E218-S221 WeakPolarHBondContact CA-OG 3.41Å; E218-S221 PolarHBondContact O-N 2.82Å; E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 2.92Å
219	E	97.8	Very high	97.3	Very high	31 Å²	31	45.8 Å²	45.8	15%	0.145	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-30.6	-179.5	-54.7	96.9	142.4	0	0	111.6	M33 W36 L37 L174 R217 T223	M33-E219 WeakPolarHBondContact CG-O 3.3Å; W36-E219 HydrophobicContact CG-CB 4.31Å; W36-E219 HydrophobicContact CG-CG 3.98Å; L37-E219 HydrophobicContact CD2-CB 4.22Å; L37-E219 HydrophobicContact CD2-CG 3.79Å; L37-E219 HydrophobicContact CG-CB 4.36Å; L37-E219 HydrophobicContact CG-CG 4.26Å; L174-E219 HydrophobicContact CD1-CB 4.43Å; R217-E219 WeakPolarHBondContact CB-OE2 3.4Å; R217-E219 IonicContact CZ-OE1 2.71Å; R217-E219 IonicContact CZ-OE2 2.67Å; R217-E219 IonicContact NE-OE1 3.47Å; R217-E219 IonicContact NE-OE2 3.86Å; R217-E219 PolarHBondContact NE-OE2 3.48Å; R217-E219 IonicContact NH2-OE1 3.79Å; R217-E219 PolarHBondContact NH2-OE1 3.32Å; R217-E219 IonicContact NH2-OE2 2.7Å; R217-E219 PolarHBondContact O-N 3.27Å; E219-T223 WeakPolarHBondContact O-CG2 3.43Å; E219-T223 PolarHBondContact O-OG1 3.07Å
220	F	98.4	Very high	97.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-92.6	-50.8	174.4	179.2	-120.1	0	0	0	112.7	Q29 M33 L182 H186 A214 Y215 R217 E218 A222 T223 C224	Q29-F220 PolarHBondContact NE2-O 2.94Å; M33-F220 HydrophobicContact CE-CB 3.88Å; M33-F220 HydrophobicContact CE-CD2 3.84Å; M33-F220 HydrophobicContact CE-CG 4.29Å; M33-F220 HydrophobicContact SD-CD2 3.82Å; L182-F220 HydrophobicContact CB-CD2 3.83Å; L182-F220 HydrophobicContact CB-CE2 3.48Å; L182-F220 VanDerWaalsContact CB-CE2 3.48Å; L182-F220 HydrophobicContact CB-CZ 3.94Å; L182-F220 HydrophobicContact CD1-CD2 4.37Å; L182-F220 HydrophobicContact CD1-CG 4.48Å; H186-F220 HydrophobicContact CB-CE2 4.5Å; H186-F220 HydrophobicContact CB-CZ 3.92Å; A214-F220 HydrophobicContact CB-CD1 3.85Å; A214-F220 HydrophobicContact CB-CE1 4.13Å; A214-F220 HydrophobicContact CB-CG 4.4Å; A214-F220 WeakPolarHBondContact O-CD1 3.48Å; Y215-F220 HydrophobicContact CD1-CD1 4.06Å; Y215-F220 AromaticContact CD1-CE1 3.62Å; Y215-F220 HydrophobicContact CD1-CE1 3.62Å; Y215-F220 HydrophobicContact CE1-CD1 4.38Å; Y215-F220 AromaticContact CE1-CE1 3.53Å; Y215-F220 HydrophobicContact CE1-CE1 3.53Å; Y215-F220 HydrophobicContact CE1-CZ 4.24Å; Y215-F220 HydrophobicContact CE2-CE1 4.49Å; Y215-F220 HydrophobicContact CG-CE1 4.16Å; Y215-F220 AromaticContact CZ-CE1 3.97Å; R217-F220 PolarHBondContact O-N 3.13Å; E218-F220 PolarHBondContact O-N 2.86Å; E218-F220 VanDerWaalsContact O-N 3.11Å; F220-A222 PolarHBondContact O-N 3.39Å; F220-T223 PolarHBondContact O-N 2.93Å; F220-T223 PolarHBondContact O-OG1 2.95Å; F220-C224 PolarHBondContact O-N 2.85Å; F220-C224 VanDerWaalsContact O-N 3.15Å; F220-C224 PolarHBondContact O-SG 3.44Å
221	S	96.9	Very high	97.1	Very high	55 Å²	55	44.1 Å²	44.1	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-67.7	-37.1	-172.1	62.2	0	0	0	0	113.2	R217 E218 T223	R217-S221 PolarHBondContact O-N 3.32Å; R217-S221 PolarHBondContact O-OG 3.2Å; R217-S221 VanDerWaalsContact O-OG 3.09Å; E218-S221 WeakPolarHBondContact CA-OG 3.41Å; E218-S221 PolarHBondContact O-N 2.82Å; S221-T223 VanDerWaalsContact C-N 3.31Å; S221-T223 PolarHBondContact O-N 3.13Å
222	A	96	Very high	96.9	Very high	53 Å²	53	48.8 Å²	48.8	44%	0.438	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.1	178	0	0	0	0	0	113	W36 E218 F220	W36-A222 HydrophobicContact CH2-CB 3.76Å; W36-A222 HydrophobicContact CZ3-CB 3.99Å; E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 2.92Å; F220-A222 PolarHBondContact O-N 3.39Å
223	T	96.4	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.6	178.1	63.5	0	0	0	0	113	Q29 F32 M33 W36 E219 F220 S221	Q29-T223 WeakPolarHBondContact CG-O 3.5Å; Q29-T223 PolarHBondContact NE2-OG1 3.49Å; F32-T223 HydrophobicContact CB-CG2 4.09Å; F32-T223 HydrophobicContact CD1-CG2 3.84Å; F32-T223 HydrophobicContact CD2-CG2 3.7Å; F32-T223 HydrophobicContact CE1-CG2 4.15Å; F32-T223 HydrophobicContact CE2-CG2 4.02Å; F32-T223 HydrophobicContact CG-CG2 3.6Å; F32-T223 HydrophobicContact CZ-CG2 4.23Å; M33-T223 HydrophobicContact CG-CG2 4.45Å; M33-T223 WeakPolarHBondContact CG-OG1 3.31Å; W36-T223 HydrophobicContact CE3-CG2 3.83Å; W36-T223 HydrophobicContact CZ3-CG2 4.12Å; E219-T223 WeakPolarHBondContact O-CG2 3.43Å; E219-T223 PolarHBondContact O-OG1 3.07Å; F220-T223 PolarHBondContact O-N 2.93Å; F220-T223 PolarHBondContact O-OG1 2.95Å; S221-T223 VanDerWaalsContact C-N 3.31Å; S221-T223 PolarHBondContact O-N 3.13Å
224	C	96.2	Very high	96.5	Very high	26 Å²	26	46.3 Å²	46.3	18%	0.176	27%	0.268	C	S	.	.	S	Bend	trans	-66.1	132.5	174.1	-77.8	0	0	0	0	110.8	Q29 F220	Q29-C224 PolarHBondContact NE2-SG 3.34Å; F220-C224 PolarHBondContact O-N 2.85Å; F220-C224 VanDerWaalsContact O-N 3.15Å; F220-C224 PolarHBondContact O-SG 3.44Å
225	P	94.9	Very high	96.2	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.052	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.7	156.2	165.2	30.1	-33.3	0	0	0	109.7	I22 I230	I22-P225 HydrophobicContact CG2-CB 4.38Å; I22-P225 WeakPolarHBondContact O-CB 3.39Å; P225-I230 HydrophobicContact CB-CG1 4.43Å; P225-I230 HydrophobicContact CG-CD1 3.97Å; P225-I230 HydrophobicContact CG-CG1 3.72Å
226	V	94.8	Very high	95.7	Very high	85 Å²	85	52.1 Å²	52.1	52%	0.515	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-62.4	143.2	173.2	-68.1	0	0	0	0	110.8	T228 E229 I230	V226-T228 WeakPolarHBondContact CG2-OG1 3.42Å; V226-T228 PolarHBondContact O-N 3.22Å; V226-E229 HydrophobicContact CG2-CB 4.04Å; V226-E229 HydrophobicContact CG2-CG 3.55Å; V226-E229 WeakPolarHBondContact O-CB 3.46Å; V226-E229 PolarHBondContact O-N 3.17Å; V226-I230 PolarHBondContact O-N 2.9Å
227	D	96.4	Very high	95.3	Very high	87 Å²	87	50.4 Å²	50.4	47%	0.465	29%	0.293	S	S	.	.	H	α-helix	trans	-52.2	-37.2	-176.8	-78.4	11.2	0	0	0	112.8	H186 V190 E229 I230 L231	H186-D227 IonicContact CE1-OD1 3.88Å; H186-D227 IonicContact NE2-OD1 2.87Å; V190-D227 HydrophobicContact CG1-CB 4.11Å; D227-E229 VanDerWaalsContact C-N 3.3Å; D227-E229 PolarHBondContact O-N 3.37Å; D227-I230 WeakPolarHBondContact O-CB 3.26Å; D227-I230 PolarHBondContact O-N 3.3Å; D227-L231 VanDerWaalsContact O-CG 3.28Å; D227-L231 WeakPolarHBondContact O-CG 3.48Å; D227-L231 PolarHBondContact O-N 2.88Å
228	T	95.8	Very high	94.9	Very high	81 Å²	81	48.4 Å²	48.4	50%	0.497	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-37.7	178.4	48.2	0	0	0	0	112.8	V226 L231 M232	V226-T228 WeakPolarHBondContact CG2-OG1 3.42Å; V226-T228 PolarHBondContact O-N 3.22Å; T228-L231 PolarHBondContact O-N 3.44Å; T228-M232 WeakPolarHBondContact O-CB 3.32Å; T228-M232 VanDerWaalsContact O-CG 3.28Å; T228-M232 WeakPolarHBondContact O-CG 3.3Å; T228-M232 PolarHBondContact O-N 3.06Å
229	E	95.6	Very high	94	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-68.9	-39.2	176.5	-74.4	-62.3	140	0	0	111.7	G16 S17 V226 D227 A233	G16-E229 WeakPolarHBondContact CA-OE2 3.45Å; S17-E229 VanDerWaalsContact CB-OE1 3.27Å; S17-E229 WeakPolarHBondContact CB-OE1 3.3Å; S17-E229 VanDerWaalsContact N-CD 3.26Å; S17-E229 PolarHBondContact N-OE1 3.12Å; S17-E229 VanDerWaalsContact N-OE1 3.15Å; S17-E229 PolarHBondContact N-OE2 3.46Å; S17-E229 PolarHBondContact OG-OE1 2.92Å; V226-E229 HydrophobicContact CG2-CB 4.04Å; V226-E229 HydrophobicContact CG2-CG 3.55Å; V226-E229 WeakPolarHBondContact O-CB 3.46Å; V226-E229 PolarHBondContact O-N 3.17Å; D227-E229 VanDerWaalsContact C-N 3.3Å; D227-E229 PolarHBondContact O-N 3.37Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 3.49Å
230	I	96.7	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-49.9	173.4	-55.5	175.6	0	0	0	109.6	N24 H186 I187 V190 V191 P225 V226 D227 M232 A233 Y234	N24-I230 HydrophobicContact CB-CG1 4.48Å; H186-I230 WeakPolarHBondContact NE2-CD1 3.44Å; I187-I230 HydrophobicContact CB-CG2 4.41Å; I187-I230 HydrophobicContact CG1-CG2 4.21Å; I187-I230 HydrophobicContact CG2-CG2 4.15Å; V190-I230 HydrophobicContact CB-CD1 4.42Å; V190-I230 HydrophobicContact CB-CG2 4.35Å; V190-I230 HydrophobicContact CG1-CB 4.19Å; V190-I230 HydrophobicContact CG1-CD1 4.42Å; V190-I230 HydrophobicContact CG1-CG2 4.13Å; V190-I230 HydrophobicContact CG2-CD1 4.24Å; V191-I230 HydrophobicContact CG2-CG2 3.56Å; P225-I230 HydrophobicContact CB-CG1 4.43Å; P225-I230 HydrophobicContact CG-CD1 3.97Å; P225-I230 HydrophobicContact CG-CG1 3.72Å; V226-I230 PolarHBondContact O-N 2.9Å; D227-I230 WeakPolarHBondContact O-CB 3.26Å; D227-I230 PolarHBondContact O-N 3.3Å; I230-M232 PolarHBondContact O-N 3.04Å; I230-A233 PolarHBondContact O-N 3.32Å; I230-Y234 HydrophobicContact CG2-CD2 4.43Å; I230-Y234 WeakPolarHBondContact O-CD2 3.45Å; I230-Y234 PolarHBondContact O-N 3.29Å
231	L	96.5	Very high	92.4	Very high	35 Å²	35	52.6 Å²	52.6	18%	0.183	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-42.5	-178	-66.8	-179	0	0	0	112.2	V190 K194 Y195 D227 T228 Y234 S235	V190-L231 HydrophobicContact CG1-CD2 3.74Å; V190-L231 HydrophobicContact CG1-CG 3.94Å; K194-L231 HydrophobicContact CB-CD1 4.29Å; K194-L231 HydrophobicContact CB-CD2 3.44Å; K194-L231 VanDerWaalsContact CB-CD2 3.44Å; K194-L231 HydrophobicContact CB-CG 4.5Å; K194-L231 HydrophobicContact CD-CD1 4.29Å; K194-L231 HydrophobicContact CG-CD1 4.02Å; K194-L231 HydrophobicContact CG-CD2 3.71Å; K194-L231 HydrophobicContact CG-CG 4.42Å; Y195-L231 HydrophobicContact CD2-CD2 4.42Å; Y195-L231 HydrophobicContact CE2-CD2 3.89Å; Y195-L231 PolarHBondContact OH-O 3.29Å; D227-L231 VanDerWaalsContact O-CG 3.28Å; D227-L231 WeakPolarHBondContact O-CG 3.48Å; D227-L231 PolarHBondContact O-N 2.88Å; T228-L231 PolarHBondContact O-N 3.44Å; L231-Y234 PolarHBondContact O-N 3.44Å; L231-S235 PolarHBondContact O-N 3.06Å
232	M	93.9	Very high	91.3	Very high	98 Å²	98	60.8 Å²	60.8	48%	0.483	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.2	-77.2	-170.3	-123.5	0	0	111.5	T228 I230 Y234 S235	T228-M232 WeakPolarHBondContact O-CB 3.32Å; T228-M232 VanDerWaalsContact O-CG 3.28Å; T228-M232 WeakPolarHBondContact O-CG 3.3Å; T228-M232 PolarHBondContact O-N 3.06Å; I230-M232 PolarHBondContact O-N 3.04Å; M232-Y234 PolarHBondContact O-N 3.07Å; M232-S235 WeakPolarHBondContact O-CB 3.22Å; M232-S235 PolarHBondContact O-N 2.92Å; M232-S235 VanDerWaalsContact O-N 3.15Å; M232-S235 PolarHBondContact O-OG 2.91Å
233	A	92.9	Very high	91.1	Very high	44 Å²	44	61.2 Å²	61.2	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-26.7	178.3	0	0	0	0	0	113.4	N24 E229 I230	N24-A233 HydrophobicContact CB-CB 3.7Å; N24-A233 VanDerWaalsContact ND2-CB 3.29Å; N24-A233 WeakPolarHBondContact ND2-CB 3.43Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 3.49Å; I230-A233 PolarHBondContact O-N 3.32Å
234	Y	95.3	Very high	90.8	Very high	22 Å²	22	64.4 Å²	64.4	9%	0.086	36%	0.362	C	S	.	.	H	α-helix	trans	-95.6	-9	177.5	-82.3	-97.7	0	0	0	114.4	N24 F112 F115 I119 I187 V191 I230 L231 M232 T236 V237 A238	N24-Y234 WeakPolarHBondContact ND2-CE2 3.47Å; F112-Y234 WeakPolarHBondContact CZ-OH 3.47Å; F115-Y234 AromaticContact CE1-CE1 3.86Å; F115-Y234 HydrophobicContact CE1-CE1 3.86Å; F115-Y234 HydrophobicContact CZ-CD1 4.46Å; F115-Y234 AromaticContact CZ-CE1 3.91Å; F115-Y234 HydrophobicContact CZ-CE1 3.91Å; I119-Y234 HydrophobicContact CG2-CD1 4.41Å; I119-Y234 HydrophobicContact CG2-CE1 4.3Å; I187-Y234 HydrophobicContact CG2-CD2 4.34Å; I187-Y234 HydrophobicContact CG2-CE2 3.42Å; I187-Y234 VanDerWaalsContact CG2-CE2 3.42Å; I187-Y234 WeakPolarHBondContact CG2-OH 3.34Å; V191-Y234 HydrophobicContact CB-CG 4.44Å; V191-Y234 HydrophobicContact CG1-CD1 3.76Å; V191-Y234 HydrophobicContact CG1-CE1 4.46Å; V191-Y234 HydrophobicContact CG1-CG 3.8Å; V191-Y234 HydrophobicContact CG2-CD1 4.22Å; V191-Y234 HydrophobicContact CG2-CD2 3.61Å; V191-Y234 HydrophobicContact CG2-CE2 4.06Å; V191-Y234 HydrophobicContact CG2-CG 3.69Å; I230-Y234 HydrophobicContact CG2-CD2 4.43Å; I230-Y234 WeakPolarHBondContact O-CD2 3.45Å; I230-Y234 PolarHBondContact O-N 3.29Å; L231-Y234 PolarHBondContact O-N 3.44Å; M232-Y234 PolarHBondContact O-N 3.07Å; Y234-T236 VanDerWaalsContact C-N 3.25Å; Y234-T236 PolarHBondContact O-N 3.24Å; Y234-T236 VanDerWaalsContact O-N 3.13Å; Y234-V237 HydrophobicContact CD1-CG2 3.74Å; Y234-V237 HydrophobicContact CE1-CG2 4.42Å; Y234-V237 HydrophobicContact CG-CG2 4.24Å; Y234-V237 WeakPolarHBondContact O-CG2 3.37Å; Y234-V237 PolarHBondContact O-N 3.34Å; Y234-V237 VanDerWaalsContact O-N 3.09Å; Y234-A238 VanDerWaalsContact O-CB 3.23Å; Y234-A238 WeakPolarHBondContact O-CB 3.41Å; Y234-A238 PolarHBondContact O-N 2.89Å
235	S	93.2	Very high	90.5	Very high	64 Å²	64	66.5 Å²	66.5	45%	0.448	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33	-173.9	64.2	0	0	0	0	114.9	Y195 L231 M232	Y195-S235 WeakPolarHBondContact OH-CA 3.43Å; Y195-S235 WeakPolarHBondContact OH-CB 3.44Å; Y195-S235 PolarHBondContact OH-N 2.96Å; L231-S235 PolarHBondContact O-N 3.06Å; M232-S235 WeakPolarHBondContact O-CB 3.22Å; M232-S235 PolarHBondContact O-N 2.92Å; M232-S235 VanDerWaalsContact O-N 3.15Å; M232-S235 PolarHBondContact O-OG 2.91Å
236	T	88.6	Confident	90.2	Very high	118 Å²	118	69.9 Å²	69.9	72%	0.724	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-22.6	-179	57.8	0	0	0	0	113.5	Y234	Y234-T236 VanDerWaalsContact C-N 3.25Å; Y234-T236 PolarHBondContact O-N 3.24Å; Y234-T236 VanDerWaalsContact O-N 3.13Å
237	V	90.1	Very high	89.9	Confident	48 Å²	48	69 Å²	69	29%	0.291	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-23.7	-175.3	-62.6	0	0	0	0	112.9	K120 Y234 K239	K120-V237 WeakPolarHBondContact CA-O 3.38Å; K120-V237 HydrophobicContact CG-CB 4.31Å; Y234-V237 HydrophobicContact CD1-CG2 3.74Å; Y234-V237 HydrophobicContact CE1-CG2 4.42Å; Y234-V237 HydrophobicContact CG-CG2 4.24Å; Y234-V237 WeakPolarHBondContact O-CG2 3.37Å; Y234-V237 PolarHBondContact O-N 3.34Å; Y234-V237 VanDerWaalsContact O-N 3.09Å; V237-K239 VanDerWaalsContact C-N 3.29Å; V237-K239 PolarHBondContact O-N 2.91Å
238	A	87.9	Confident	89.5	Confident	11 Å²	11	67.8 Å²	67.8	9%	0.091	38%	0.378	C	S	.	.	S	Bend	trans	-75.7	81	172.5	0	0	0	0	0	109.5	I119 Y195 Y234	I119-A238 HydrophobicContact CD1-CB 4.3Å; I119-A238 HydrophobicContact CG1-CB 4.01Å; Y195-A238 HydrophobicContact CD1-CB 3.6Å; Y195-A238 HydrophobicContact CD2-CB 3.77Å; Y195-A238 HydrophobicContact CE1-CB 3.98Å; Y195-A238 HydrophobicContact CE2-CB 4.11Å; Y195-A238 HydrophobicContact CG-CB 3.49Å; Y195-A238 VanDerWaalsContact CG-CB 3.49Å; Y234-A238 VanDerWaalsContact O-CB 3.23Å; Y234-A238 WeakPolarHBondContact O-CB 3.41Å; Y234-A238 PolarHBondContact O-N 2.89Å
239	K	79.5	Confident	89.1	Confident	113 Å²	113	66.9 Å²	66.9	49%	0.491	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-69.4	143.7	-176.9	-63.1	-177.1	-177.4	176.9	0	110.4	R196 V237	R196-K239 VanDerWaalsContact CZ-O 3.22Å; R196-K239 PolarHBondContact NH1-O 3.43Å; R196-K239 PolarHBondContact NH2-O 3.23Å; V237-K239 VanDerWaalsContact C-N 3.29Å; V237-K239 PolarHBondContact O-N 2.91Å
240	A	81.9	Confident	88.6	Confident	70 Å²	70	70.8 Å²	70.8	58%	0.579	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-65.2	146.5	166	0	0	0	0	0	110.1	K242	A240-K242 PolarHBondContact O-N 3.35Å
241	L	81.4	Confident	87.9	Confident	71 Å²	71	76.7 Å²	76.7	37%	0.372	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68.8	121.9	166.2	-62.4	176.2	0	0	0	107.1	P124 N127	P124-L241 HydrophobicContact CG-CB 4.34Å; N127-L241 HydrophobicContact CB-CD1 4.2Å; N127-L241 HydrophobicContact CB-CD2 4.21Å
242	K	73.3	Confident	87.1	Confident	226 Å²	226	80.5 Å²	80.5	98%	0.983	45%	0.446	S	S	*	.			trans	-104	0	-176.8	-70.3	-173.3	177.9	-174.2	0	111.6	S122 P124 A240	S122-K242 PolarHBondContact O-N 3.33Å; P124-K242 WeakPolarHBondContact CD-O 3.29Å; P124-K242 WeakPolarHBondContact CG-O 3.18Å; A240-K242 PolarHBondContact O-N 3.35Å

Retrieved 242 of 242 residues in 529.9 ms (Link to these results)

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