A0A077ZAF0_TRITR Loading...

Ubiquinol cytochrome c reductase, cytochrome c1

AlphaFold DB , UniProt , Accession A0A077ZAF0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 259 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	48.4	Very low	220 Å²	220	125.2 Å²	125.2	100%	1.084	70%	0.701	S	S	*	*				0	-8.5	0	-128	165.7	176.3	0	0	113.6
2	Y	48.3	Very low	49.1	Very low	199 Å²	199	117.3 Å²	117.3	78%	0.78	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	11.8	-173	-76.8	-77.9	0	0	0	116.8
3	T	50.6	Low	50.6	Low	127 Å²	127	122.2 Å²	122.2	78%	0.779	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-7.1	178.8	55.8	0	0	0	0	113.8
4	L	48.7	Very low	52.4	Low	129 Å²	129	117 Å²	117	68%	0.675	64%	0.639	S	S	*	*	S	Bend	trans	-92	-28.2	178	-66.7	178.2	0	0	0	112.9	H6 A7 A8	L4-H6 VanDerWaalsContact C-N 3.27Å; L4-H6 PolarHBondContact O-N 3.34Å; L4-A7 PolarHBondContact O-N 3.5Å; L4-A7 VanDerWaalsContact O-N 3.08Å; L4-A8 PolarHBondContact O-N 3.21Å
5	D	45.3	Very low	54.6	Low	114 Å²	114	115.2 Å²	115.2	61%	0.61	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-29.6	-176.1	-71.9	-20.4	0	0	0	113.3
6	H	49.7	Very low	56.6	Low	155 Å²	155	112.9 Å²	112.9	72%	0.718	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-17.9	175.4	-81.4	-48.4	0	0	0	114.2	L4 A8	L4-H6 VanDerWaalsContact C-N 3.27Å; L4-H6 PolarHBondContact O-N 3.34Å; H6-A8 VanDerWaalsContact C-N 3.31Å
7	A	51	Low	58.6	Low	57 Å²	57	107.9 Å²	107.9	47%	0.471	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	-21.8	176.7	0	0	0	0	0	112	L4	L4-A7 PolarHBondContact O-N 3.5Å; L4-A7 VanDerWaalsContact O-N 3.08Å
8	A	47.4	Very low	60.4	Low	74 Å²	74	109.3 Å²	109.3	61%	0.612	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	46.8	-173.9	0	0	0	0	0	111.8	L4 H6 A10	L4-A8 PolarHBondContact O-N 3.21Å; H6-A8 VanDerWaalsContact C-N 3.31Å; A8-A10 PolarHBondContact O-N 3.07Å
9	E	47.2	Very low	62.1	Low	111 Å²	111	111.2 Å²	111.2	52%	0.519	60%	0.596	S	S	.	*			trans	-66.5	80.1	164	-158.5	176.6	174.5	0	0	108.6	S11 S12	E9-S11 PolarHBondContact O-N 3.33Å; E9-S12 PolarHBondContact O-N 3.3Å
10	A	50.9	Low	63.7	Low	97 Å²	97	108.5 Å²	108.5	80%	0.802	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	10.3	-175.5	0	0	0	0	0	113.6	A8 S12	A8-A10 PolarHBondContact O-N 3.07Å; A10-S12 VanDerWaalsContact C-N 3.3Å
11	S	52.7	Low	65.1	Low	94 Å²	94	112.8 Å²	112.8	66%	0.657	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-23.6	175.6	66.8	0	0	0	0	111.7	E9	E9-S11 PolarHBondContact O-N 3.33Å
12	S	56.4	Low	67.7	Low	31 Å²	31	102.7 Å²	102.7	22%	0.217	55%	0.545	C	S	.	.	S	Bend	trans	-104.1	134.7	177.1	73	0	0	0	0	110	E9 A10 H14	E9-S12 PolarHBondContact O-N 3.3Å; A10-S12 VanDerWaalsContact C-N 3.3Å; S12-H14 WeakPolarHBondContact CB-CE1 3.47Å; S12-H14 PolarHBondContact O-N 3.41Å; S12-H14 PolarHBondContact OG-CE1 3.08Å; S12-H14 PolarHBondContact OG-O 2.95Å
13	F	69	Low	69.9	Low	180 Å²	180	95.3 Å²	95.3	79%	0.789	52%	0.521	S	S	*	.	S	Bend	trans	-75.5	38.8	176.5	-68.4	-81.3	0	0	0	112.3	S167	F13-S167 PolarHBondContact O-OG 3.43Å
14	H	76.4	Confident	72	Confident	50 Å²	50	89.4 Å²	89.4	23%	0.231	49%	0.485	C	S	.	.	S	Bend	trans	-146.1	148.4	175.1	60.8	-95.3	0	0	0	111.1	S12 H16 P161 P164	S12-H14 WeakPolarHBondContact CB-CE1 3.47Å; S12-H14 PolarHBondContact O-N 3.41Å; S12-H14 PolarHBondContact OG-CE1 3.08Å; S12-H14 PolarHBondContact OG-O 2.95Å; H14-H16 AromaticContact NE2-CE1 3.98Å; H14-P161 CarbonylContact C-O 3.45Å; H14-P161 WeakPolarHBondContact CA-O 3.49Å; H14-P161 WeakPolarHBondContact CB-O 3.5Å; H14-P164 PolarHBondContact ND1-O 3.49Å
15	L	84.8	Confident	74.1	Confident	90 Å²	90	86.4 Å²	86.4	47%	0.471	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-80.4	140.8	173.5	-66.5	178.5	0	0	0	110.2	P161 Y162	L15-P161 HydrophobicContact CD1-CB 3.78Å; L15-P161 HydrophobicContact CD1-CG 4.09Å; L15-P161 HydrophobicContact CG-CB 4.06Å; L15-P161 PolarHBondContact N-O 3.16Å; L15-Y162 HydrophobicContact CB-CD1 3.81Å; L15-Y162 HydrophobicContact CB-CE1 3.69Å; L15-Y162 HydrophobicContact CD1-CE1 4.48Å; L15-Y162 WeakPolarHBondContact O-CD1 3.47Å
16	H	86.8	Confident	76.4	Confident	78 Å²	78	82 Å²	82	36%	0.361	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-79.3	136.9	167.3	-70.4	-74.5	0	0	0	110.1	H14	H14-H16 AromaticContact NE2-CE1 3.98Å
17	P	90.7	Very high	78.2	Confident	28 Å²	28	84.4 Å²	84.4	18%	0.182	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-65.7	147.2	175.9	29.8	-36	0	0	0	110.6	D135 A139	P17-D135 HydrophobicContact CB-CB 4.16Å; P17-D135 HydrophobicContact CG-CB 4.36Å; P17-A139 HydrophobicContact CB-CB 3.81Å
18	L	90.6	Very high	80.1	Confident	134 Å²	134	88.5 Å²	88.5	70%	0.702	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-71.6	142.6	170.2	-67.4	172.1	0	0	0	109.6	L20	L18-L20 PolarHBondContact O-N 2.95Å
19	H	93.2	Very high	82.4	Confident	145 Å²	145	89.3 Å²	89.3	67%	0.671	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-71.9	120.2	173.9	-175.9	53	0	0	0	111	D135	H19-D135 WeakPolarHBondContact CA-OD2 3.18Å; H19-D135 IonicContact CE1-OD2 3.6Å; H19-D135 IonicContact CG-OD2 2.76Å; H19-D135 IonicContact ND1-OD2 2.76Å; H19-D135 PolarHBondContact ND1-OD2 3.25Å
20	L	93.5	Very high	84.6	Confident	56 Å²	56	87.3 Å²	87.3	29%	0.293	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-98.2	154.4	179.1	-56.1	175	0	0	0	111.4	L18 W22 D135 F138	L18-L20 PolarHBondContact O-N 2.95Å; L20-W22 HydrophobicContact CB-CZ2 4.31Å; L20-W22 HydrophobicContact CD1-CH2 4.45Å; L20-W22 HydrophobicContact CD1-CZ2 3.83Å; L20-W22 VanDerWaalsContact O-CD1 3.27Å; L20-W22 PolarHBondContact O-N 3.08Å; L20-D135 VanDerWaalsContact CB-OD1 3.29Å; L20-D135 WeakPolarHBondContact CB-OD1 3.36Å; L20-D135 PolarHBondContact N-OD1 3.28Å; L20-F138 HydrophobicContact CD1-CB 4.04Å; L20-F138 HydrophobicContact CD1-CD1 3.45Å; L20-F138 VanDerWaalsContact CD1-CD1 3.45Å; L20-F138 HydrophobicContact CD1-CD2 4.29Å; L20-F138 HydrophobicContact CD1-CE1 3.93Å; L20-F138 HydrophobicContact CD1-CG 3.65Å
21	K	93.1	Very high	86.8	Confident	199 Å²	199	83.1 Å²	83.1	87%	0.865	43%	0.427	S	S	*	.			trans	-87	88.9	176.1	-69.2	-175.2	-180	178.6	0	110.3
22	W	96.3	Very high	88.9	Confident	8 Å²	8	81.4 Å²	81.4	3%	0.03	41%	0.41	C	S	.	.			trans	-75.2	144.9	175.7	-59.7	96.7	0	0	0	111.8	L20 H24 S25 E134 D135 F138 K195 A198	L20-W22 HydrophobicContact CB-CZ2 4.31Å; L20-W22 HydrophobicContact CD1-CH2 4.45Å; L20-W22 HydrophobicContact CD1-CZ2 3.83Å; L20-W22 VanDerWaalsContact O-CD1 3.27Å; L20-W22 PolarHBondContact O-N 3.08Å; W22-H24 PolarHBondContact O-N 3.39Å; W22-S25 WeakPolarHBondContact O-CB 3.49Å; W22-S25 PolarHBondContact O-N 3.26Å; W22-S25 PolarHBondContact O-OG 3.18Å; W22-E134 VanDerWaalsContact CD1-CD 3.42Å; W22-E134 HydrophobicContact CD2-CG 4Å; W22-E134 VanDerWaalsContact CE2-CD 3.45Å; W22-E134 HydrophobicContact CG-CG 4.2Å; W22-E134 HydrophobicContact CH2-CB 4.4Å; W22-E134 HydrophobicContact CZ2-CB 3.93Å; W22-E134 HydrophobicContact CZ2-CG 3.93Å; W22-D135 PolarHBondContact NE1-OD1 2.89Å; W22-F138 HydrophobicContact CH2-CB 4.15Å; W22-F138 HydrophobicContact CH2-CD2 4.42Å; W22-F138 HydrophobicContact CZ2-CB 4.18Å; W22-K195 HydrophobicContact CH2-CG 4.38Å; W22-K195 HydrophobicContact CZ3-CG 3.77Å; W22-A198 HydrophobicContact CH2-CB 3.65Å; W22-A198 HydrophobicContact CZ2-CB 4.44Å; W22-A198 HydrophobicContact CZ3-CB 4.19Å
23	P	93.5	Very high	90.7	Very high	44 Å²	44	83.7 Å²	83.7	29%	0.286	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.3	178.6	-27.8	35.3	0	0	0	113.8	Q29 T30 D32	P23-Q29 WeakPolarHBondContact O-CB 3.32Å; P23-Q29 PolarHBondContact O-OE1 3.34Å; P23-T30 CarbonylContact C-O 3.57Å; P23-D32 HydrophobicContact CB-CB 4.17Å; P23-D32 HydrophobicContact CG-CB 4.14Å
24	H	95.3	Very high	92.1	Very high	4 Å²	4	77 Å²	77	2%	0.019	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	6	-175.8	57.8	-89.6	0	0	0	113.9	W22 G26 T30 Y31 E134 K202 H209 K213	W22-H24 PolarHBondContact O-N 3.39Å; H24-G26 PolarHBondContact O-N 3Å; H24-T30 WeakPolarHBondContact CA-O 3.35Å; H24-T30 WeakPolarHBondContact CB-O 3.3Å; H24-T30 PolarHBondContact N-O 2.92Å; H24-Y31 HydrophobicContact CB-CD1 3.76Å; H24-Y31 HydrophobicContact CB-CE1 4.04Å; H24-Y31 HydrophobicContact CB-CG 4.25Å; H24-Y31 AromaticContact CD2-CD1 3.99Å; H24-Y31 AromaticContact CD2-CE1 3.47Å; H24-Y31 VanDerWaalsContact CD2-CE1 3.47Å; H24-Y31 WeakPolarHBondContact CD2-CE1 3.4Å; H24-Y31 AromaticContact CE1-CD1 3.8Å; H24-Y31 AromaticContact CE1-CE1 3.56Å; H24-Y31 AromaticContact CG-CD1 3.41Å; H24-Y31 VanDerWaalsContact CG-CD1 3.41Å; H24-Y31 AromaticContact CG-CE1 3.4Å; H24-Y31 VanDerWaalsContact CG-CE1 3.4Å; H24-Y31 AromaticContact ND1-CD1 3.3Å; H24-Y31 VanDerWaalsContact ND1-CD1 3.3Å; H24-Y31 WeakPolarHBondContact ND1-CD1 3.3Å; H24-Y31 AromaticContact ND1-CE1 3.47Å; H24-Y31 WeakPolarHBondContact ND1-CE1 3.48Å; H24-Y31 AromaticContact NE2-CE1 3.54Å; H24-E134 IonicContact CD2-OE1 2.9Å; H24-E134 IonicContact CE1-OE1 2.95Å; H24-E134 PolarHBondContact CE1-OE1 3.1Å; H24-E134 IonicContact CE1-OE2 3.97Å; H24-E134 PolarHBondContact CE1-OE2 3.47Å; H24-E134 IonicContact NE2-OE1 3.54Å; H24-E134 PolarHBondContact NE2-OE1 2.73Å; H24-E134 IonicContact NE2-OE2 3.53Å; H24-E134 PolarHBondContact NE2-OE2 3.01Å; H24-E134 VanDerWaalsContact NE2-OE2 3.12Å; H24-K202 VanDerWaalsContact NE2-CG 3.29Å; H24-K202 WeakPolarHBondContact NE2-CG 3.46Å; H24-H209 PolarHBondContact O-NE2 3.43Å; H24-K213 PolarHBondContact O-NZ 3.16Å
25	S	92.7	Very high	93	Very high	66 Å²	66	74.7 Å²	74.7	46%	0.462	39%	0.391	S	S	.	.			trans	-70.1	-27.6	-175.6	58.9	0	0	0	0	114.3	W22	W22-S25 WeakPolarHBondContact O-CB 3.49Å; W22-S25 PolarHBondContact O-N 3.26Å; W22-S25 PolarHBondContact O-OG 3.18Å
26	G	92.1	Very high	93.7	Very high	20 Å²	20	70.5 Å²	70.5	21%	0.206	37%	0.369	C	S	.	.	S	Bend	trans	-81.9	164.5	-176	0	0	0	0	0	114.8	H24 I28 Q29 K213	H24-G26 PolarHBondContact O-N 3Å; G26-I28 VanDerWaalsContact C-N 3.32Å; G26-I28 PolarHBondContact O-N 3.43Å; G26-Q29 VanDerWaalsContact CA-OE1 3.23Å; G26-Q29 PolarHBondContact O-N 2.84Å; G26-K213 PolarHBondContact O-NZ 3.36Å
27	F	88.9	Confident	94.2	Very high	207 Å²	207	70.1 Å²	70.1	91%	0.908	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.4	-174	-65.7	-71.5	0	0	0	115.3
28	I	91.4	Very high	94.6	Very high	142 Å²	142	70 Å²	70	73%	0.728	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	3.8	-178.4	60.1	171.1	0	0	0	113	G26	G26-I28 VanDerWaalsContact C-N 3.32Å; G26-I28 PolarHBondContact O-N 3.43Å
29	Q	94.3	Very high	94.9	Very high	91 Å²	91	63.6 Å²	63.6	43%	0.425	33%	0.326	S	S	.	.			trans	-85.7	149.7	-177.2	-53.8	177.6	-42.2	0	0	111.2	P23 G26 K213	P23-Q29 WeakPolarHBondContact O-CB 3.32Å; P23-Q29 PolarHBondContact O-OE1 3.34Å; G26-Q29 VanDerWaalsContact CA-OE1 3.23Å; G26-Q29 PolarHBondContact O-N 2.84Å; Q29-K213 WeakPolarHBondContact O-CD 3.29Å; Q29-K213 PolarHBondContact O-NZ 2.86Å
30	T	95.1	Very high	95.2	Very high	69 Å²	69	57 Å²	57	42%	0.423	30%	0.296	S	S	.	.			trans	-112.2	172.8	-177.4	57.2	0	0	0	0	110.8	P23 H24 D210	P23-T30 CarbonylContact C-O 3.57Å; H24-T30 WeakPolarHBondContact CA-O 3.35Å; H24-T30 WeakPolarHBondContact CB-O 3.3Å; H24-T30 PolarHBondContact N-O 2.92Å; T30-D210 WeakPolarHBondContact CA-OD1 3.39Å; T30-D210 WeakPolarHBondContact CB-OD2 3.32Å
31	Y	96	Very high	95.4	Very high	10 Å²	10	55.6 Å²	55.6	4%	0.039	29%	0.287	C	S	.	.			trans	-61.7	151.6	167	-69.2	-66.4	0	0	0	112.1	H24 I36 K202 W203 H209 D210	H24-Y31 HydrophobicContact CB-CD1 3.76Å; H24-Y31 HydrophobicContact CB-CE1 4.04Å; H24-Y31 HydrophobicContact CB-CG 4.25Å; H24-Y31 AromaticContact CD2-CD1 3.99Å; H24-Y31 AromaticContact CD2-CE1 3.47Å; H24-Y31 VanDerWaalsContact CD2-CE1 3.47Å; H24-Y31 WeakPolarHBondContact CD2-CE1 3.4Å; H24-Y31 AromaticContact CE1-CD1 3.8Å; H24-Y31 AromaticContact CE1-CE1 3.56Å; H24-Y31 AromaticContact CG-CD1 3.41Å; H24-Y31 VanDerWaalsContact CG-CD1 3.41Å; H24-Y31 AromaticContact CG-CE1 3.4Å; H24-Y31 VanDerWaalsContact CG-CE1 3.4Å; H24-Y31 AromaticContact ND1-CD1 3.3Å; H24-Y31 VanDerWaalsContact ND1-CD1 3.3Å; H24-Y31 WeakPolarHBondContact ND1-CD1 3.3Å; H24-Y31 AromaticContact ND1-CE1 3.47Å; H24-Y31 WeakPolarHBondContact ND1-CE1 3.48Å; H24-Y31 AromaticContact NE2-CE1 3.54Å; Y31-I36 HydrophobicContact CD1-CD1 4.25Å; Y31-I36 HydrophobicContact CD2-CD1 4.19Å; Y31-I36 HydrophobicContact CG-CD1 3.73Å; Y31-K202 HydrophobicContact CE1-CB 4.4Å; Y31-K202 HydrophobicContact CE1-CG 3.92Å; Y31-K202 PolarHBondContact OH-O 3.04Å; Y31-W203 HydrophobicContact CD1-CB 4.45Å; Y31-W203 HydrophobicContact CD2-CB 4.37Å; Y31-W203 AromaticContact CD2-CD1 3.79Å; Y31-W203 HydrophobicContact CE1-CB 4.23Å; Y31-W203 HydrophobicContact CE2-CB 4.05Å; Y31-W203 AromaticContact CE2-CD1 3.82Å; Y31-W203 HydrophobicContact CE2-CG 4.36Å; Y31-H209 HydrophobicContact CD2-CB 4.48Å; Y31-H209 AromaticContact CD2-ND1 3.99Å; Y31-H209 HydrophobicContact CE2-CB 3.57Å; Y31-H209 AromaticContact CE2-CG 3.77Å; Y31-H209 AromaticContact CE2-ND1 3.74Å; Y31-H209 AromaticContact CZ-CG 3.99Å; Y31-D210 PolarHBondContact N-OD1 3.26Å
32	D	96.2	Very high	95.6	Very high	58 Å²	58	46.1 Å²	46.1	31%	0.31	25%	0.246	S	C	.	.			trans	-85	107.2	163.6	175.3	-5.2	0	0	0	107.7	P23 A34 S35 I36	P23-D32 HydrophobicContact CB-CB 4.17Å; P23-D32 HydrophobicContact CG-CB 4.14Å; D32-A34 VanDerWaalsContact C-N 3.28Å; D32-A34 PolarHBondContact O-N 3.25Å; D32-A34 WeakPolarHBondContact OD1-CB 3.43Å; D32-A34 PolarHBondContact OD1-N 2.83Å; D32-S35 WeakPolarHBondContact O-CB 3.47Å; D32-S35 PolarHBondContact O-N 3.41Å; D32-S35 PolarHBondContact OD1-N 2.96Å; D32-I36 WeakPolarHBondContact O-CG1 3.26Å; D32-I36 PolarHBondContact O-N 3.39Å
33	T	95.5	Very high	95.7	Very high	79 Å²	79	45.9 Å²	45.9	49%	0.485	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-30.4	-176.3	53.2	0	0	0	0	112.8	I36 R37 A64	T33-I36 PolarHBondContact O-N 2.84Å; T33-R37 PolarHBondContact O-N 3.32Å; T33-A64 WeakPolarHBondContact CG2-O 3.42Å
34	A	96.7	Very high	95.9	Very high	39 Å²	39	46.8 Å²	46.8	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-69.1	-41.2	175.1	0	0	0	0	0	110.5	D32 R37 R38	D32-A34 VanDerWaalsContact C-N 3.28Å; D32-A34 PolarHBondContact O-N 3.25Å; D32-A34 WeakPolarHBondContact OD1-CB 3.43Å; D32-A34 PolarHBondContact OD1-N 2.83Å; A34-R37 PolarHBondContact O-N 3.46Å; A34-R38 WeakPolarHBondContact O-CG 3.37Å; A34-R38 PolarHBondContact O-N 3.11Å
35	S	97.3	Very high	96	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-41.2	173.7	-174.2	0	0	0	0	112.5	D32 G39 D196	D32-S35 WeakPolarHBondContact O-CB 3.47Å; D32-S35 PolarHBondContact O-N 3.41Å; D32-S35 PolarHBondContact OD1-N 2.96Å; S35-G39 PolarHBondContact O-N 3.46Å; S35-D196 WeakPolarHBondContact CA-OD1 3.16Å; S35-D196 WeakPolarHBondContact CB-OD1 3.41Å; S35-D196 PolarHBondContact OG-OD1 2.92Å
36	I	97.8	Very high	96.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-45.3	173.7	-66.1	170.1	0	0	0	111	Y31 D32 T33 G39 Y40 F65 F200 W203	Y31-I36 HydrophobicContact CD1-CD1 4.25Å; Y31-I36 HydrophobicContact CD2-CD1 4.19Å; Y31-I36 HydrophobicContact CG-CD1 3.73Å; D32-I36 WeakPolarHBondContact O-CG1 3.26Å; D32-I36 PolarHBondContact O-N 3.39Å; T33-I36 PolarHBondContact O-N 2.84Å; I36-G39 PolarHBondContact O-N 2.92Å; I36-G39 VanDerWaalsContact O-N 3.16Å; I36-Y40 PolarHBondContact O-N 3.08Å; I36-F65 HydrophobicContact CB-CB 4.37Å; I36-F65 HydrophobicContact CG2-CB 4.06Å; I36-F65 HydrophobicContact CG2-CD1 3.37Å; I36-F65 HydrophobicContact CG2-CE1 3.87Å; I36-F65 HydrophobicContact CG2-CG 3.77Å; I36-F200 HydrophobicContact CG2-CD2 3.93Å; I36-W203 HydrophobicContact CD1-CB 3.7Å; I36-W203 HydrophobicContact CD1-CD2 4.43Å; I36-W203 HydrophobicContact CD1-CG 3.58Å; I36-W203 HydrophobicContact CG1-CB 4Å; I36-W203 HydrophobicContact CG1-CG 4.24Å; I36-W203 HydrophobicContact CG2-CB 4.43Å; I36-W203 HydrophobicContact CG2-CD2 4.04Å; I36-W203 HydrophobicContact CG2-CE3 4.16Å; I36-W203 HydrophobicContact CG2-CG 4.15Å
37	R	97.8	Very high	96.5	Very high	69 Å²	69	49.5 Å²	49.5	26%	0.26	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-46.5	-179.7	-172.1	171.2	-178.2	133.1	-9.6	111.9	T33 A34 G39 Y40 Q41 F65 E70 E183	T33-R37 PolarHBondContact O-N 3.32Å; A34-R37 PolarHBondContact O-N 3.46Å; R37-G39 VanDerWaalsContact C-N 3.3Å; R37-G39 PolarHBondContact O-N 3.49Å; R37-Y40 PolarHBondContact O-N 3.27Å; R37-Q41 PolarHBondContact O-N 3.11Å; R37-Q41 VanDerWaalsContact O-N 3.14Å; R37-F65 HydrophobicContact CB-CB 4.27Å; R37-F65 HydrophobicContact CB-CD2 3.96Å; R37-F65 HydrophobicContact CB-CG 4.5Å; R37-F65 HydrophobicContact CG-CD2 4.08Å; R37-F65 PolarHBondContact NH1-O 2.9Å; R37-E70 IonicContact CZ-OE1 3.83Å; R37-E70 IonicContact CZ-OE2 2.67Å; R37-E70 VanDerWaalsContact NH1-CD 3.34Å; R37-E70 IonicContact NH1-OE1 2.94Å; R37-E70 PolarHBondContact NH1-OE1 2.71Å; R37-E70 VanDerWaalsContact NH1-OE1 3.15Å; R37-E70 IonicContact NH1-OE2 2.81Å; R37-E70 PolarHBondContact NH1-OE2 3.42Å; R37-E70 IonicContact NH2-OE1 3.82Å; R37-E70 PolarHBondContact NH2-OE1 3.01Å; R37-E70 IonicContact NH2-OE2 3.8Å; R37-E183 IonicContact NE-OE2 3.45Å; R37-E183 IonicContact NH2-OE2 2.66Å
38	R	98.3	Very high	96.9	Very high	25 Å²	25	41.3 Å²	41.3	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-38.7	172.9	-72.6	-165.1	-52.8	-87.2	-8.2	112	A34 Q41 V42 Y182 D184 D196	A34-R38 WeakPolarHBondContact O-CG 3.37Å; A34-R38 PolarHBondContact O-N 3.11Å; R38-Q41 WeakPolarHBondContact O-CB 3.43Å; R38-Q41 PolarHBondContact O-N 3.33Å; R38-V42 WeakPolarHBondContact O-CG2 3.17Å; R38-V42 PolarHBondContact O-N 3.45Å; R38-Y182 HydrophobicContact CB-CD1 3.76Å; R38-Y182 HydrophobicContact CB-CE1 3.42Å; R38-Y182 VanDerWaalsContact CB-CE1 3.42Å; R38-Y182 HydrophobicContact CB-CG 4.5Å; R38-Y182 HydrophobicContact CG-CD1 3.53Å; R38-Y182 HydrophobicContact CG-CD2 4.46Å; R38-Y182 HydrophobicContact CG-CE1 3.76Å; R38-Y182 HydrophobicContact CG-CG 3.92Å; R38-D184 WeakPolarHBondContact CD-OD2 3.42Å; R38-D184 IonicContact CZ-OD2 3.65Å; R38-D184 IonicContact NH1-OD2 2.91Å; R38-D184 PolarHBondContact NH1-OD2 3.21Å; R38-D196 HydrophobicContact CB-CB 3.94Å; R38-D196 WeakPolarHBondContact CB-OD2 3.42Å; R38-D196 IonicContact CZ-OD1 3.76Å; R38-D196 IonicContact CZ-OD2 2.77Å; R38-D196 IonicContact NE-OD1 3.54Å; R38-D196 IonicContact NE-OD2 3.42Å; R38-D196 PolarHBondContact NE-OD2 3.37Å; R38-D196 IonicContact NH2-OD1 3.62Å; R38-D196 PolarHBondContact NH2-OD1 3.48Å; R38-D196 IonicContact NH2-OD2 3.15Å
39	G	98.2	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-37.7	177.6	0	0	0	0	0	113.3	S35 I36 R37 Q41 V42 Y43 D196	S35-G39 PolarHBondContact O-N 3.46Å; I36-G39 PolarHBondContact O-N 2.92Å; I36-G39 VanDerWaalsContact O-N 3.16Å; R37-G39 VanDerWaalsContact C-N 3.3Å; R37-G39 PolarHBondContact O-N 3.49Å; G39-Q41 VanDerWaalsContact C-N 3.34Å; G39-V42 PolarHBondContact O-N 3.26Å; G39-Y43 PolarHBondContact O-N 2.85Å; G39-D196 VanDerWaalsContact CA-O 3.22Å; G39-D196 WeakPolarHBondContact CA-O 3.46Å
40	Y	98.3	Very high	97.3	Very high	8 Å²	8	35.1 Å²	35.1	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-41.9	171.2	175.6	-109.8	0	0	0	111.4	I36 R37 V42 Y43 K44 F61 F65 M66 E74 L101 F200	I36-Y40 PolarHBondContact O-N 3.08Å; R37-Y40 PolarHBondContact O-N 3.27Å; Y40-V42 PolarHBondContact O-N 2.93Å; Y40-Y43 HydrophobicContact CD2-CD1 4.28Å; Y40-Y43 HydrophobicContact CE2-CD1 4.28Å; Y40-Y43 PolarHBondContact O-N 3.48Å; Y40-K44 HydrophobicContact CE1-CD 4.1Å; Y40-K44 VanDerWaalsContact O-CB 3.31Å; Y40-K44 WeakPolarHBondContact O-CB 3.18Å; Y40-K44 PolarHBondContact O-N 2.75Å; Y40-F61 HydrophobicContact CD2-CE1 4.42Å; Y40-F61 HydrophobicContact CD2-CE2 4.24Å; Y40-F61 AromaticContact CD2-CZ 3.83Å; Y40-F61 HydrophobicContact CD2-CZ 3.83Å; Y40-F61 HydrophobicContact CE1-CE2 4.35Å; Y40-F61 HydrophobicContact CE2-CE1 4.4Å; Y40-F61 AromaticContact CE2-CE2 3.57Å; Y40-F61 HydrophobicContact CE2-CE2 3.57Å; Y40-F61 AromaticContact CE2-CZ 3.41Å; Y40-F61 HydrophobicContact CE2-CZ 3.41Å; Y40-F61 VanDerWaalsContact CE2-CZ 3.41Å; Y40-F61 AromaticContact CZ-CE2 3.63Å; Y40-F61 AromaticContact CZ-CZ 3.99Å; Y40-F65 AromaticContact CD1-CE2 3.99Å; Y40-F65 HydrophobicContact CD1-CE2 3.99Å; Y40-F65 HydrophobicContact CD1-CZ 4.33Å; Y40-F65 HydrophobicContact CD2-CZ 4.32Å; Y40-F65 AromaticContact CG-CE2 3.92Å; Y40-F65 HydrophobicContact CG-CE2 3.92Å; Y40-F65 AromaticContact CG-CZ 3.9Å; Y40-F65 HydrophobicContact CG-CZ 3.9Å; Y40-M66 HydrophobicContact CD1-CE 3.78Å; Y40-M66 HydrophobicContact CE1-CE 3.8Å; Y40-E74 HydrophobicContact CE1-CG 4.09Å; Y40-E74 WeakPolarHBondContact CE1-OE1 3.2Å; Y40-E74 PolarHBondContact OH-OE1 3.13Å; Y40-L101 HydrophobicContact CE2-CD2 4.24Å; Y40-F200 HydrophobicContact CD2-CE1 4.33Å; Y40-F200 AromaticContact CD2-CE2 3.78Å; Y40-F200 HydrophobicContact CD2-CE2 3.78Å; Y40-F200 AromaticContact CD2-CZ 3.62Å; Y40-F200 HydrophobicContact CD2-CZ 3.62Å; Y40-F200 HydrophobicContact CG-CE2 4.24Å; Y40-F200 HydrophobicContact CG-CZ 4.45Å
41	Q	98	Very high	97.4	Very high	25 Å²	25	33 Å²	33	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-46.8	175.4	-177.2	-179.3	-15.1	0	0	111.7	R37 R38 G39 Y43 K44 Q45 E181	R37-Q41 PolarHBondContact O-N 3.11Å; R37-Q41 VanDerWaalsContact O-N 3.14Å; R38-Q41 WeakPolarHBondContact O-CB 3.43Å; R38-Q41 PolarHBondContact O-N 3.33Å; G39-Q41 VanDerWaalsContact C-N 3.34Å; Q41-Y43 PolarHBondContact O-N 2.75Å; Q41-K44 PolarHBondContact O-N 3.35Å; Q41-Q45 HydrophobicContact CG-CG 4.45Å; Q41-Q45 WeakPolarHBondContact O-CB 3.43Å; Q41-Q45 WeakPolarHBondContact O-CG 3.13Å; Q41-Q45 PolarHBondContact O-N 2.8Å; Q41-E181 PolarHBondContact NE2-O 3.34Å
42	V	98.4	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-46.5	175.7	179.2	0	0	0	0	110.6	R38 G39 Y40 K44 V46 L175 L180 Y182 M193 V197	R38-V42 WeakPolarHBondContact O-CG2 3.17Å; R38-V42 PolarHBondContact O-N 3.45Å; G39-V42 PolarHBondContact O-N 3.26Å; Y40-V42 PolarHBondContact O-N 2.93Å; V42-K44 PolarHBondContact O-N 2.83Å; V42-V46 HydrophobicContact CG1-CG2 4.42Å; V42-V46 VanDerWaalsContact O-CB 3.27Å; V42-V46 WeakPolarHBondContact O-CB 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.48Å; V42-V46 PolarHBondContact O-N 3.36Å; V42-L175 HydrophobicContact CG1-CD2 3.86Å; V42-L180 HydrophobicContact CG2-CD2 4.04Å; V42-Y182 HydrophobicContact CG2-CE1 4.09Å; V42-Y182 WeakPolarHBondContact CG2-OH 3.09Å; V42-M193 HydrophobicContact CG1-CB 4.45Å; V42-M193 HydrophobicContact CG2-CB 3.92Å; V42-M193 HydrophobicContact CG2-CG 4.01Å; V42-V197 HydrophobicContact CB-CB 4.04Å; V42-V197 HydrophobicContact CB-CG2 4.29Å; V42-V197 HydrophobicContact CG1-CB 3.85Å; V42-V197 HydrophobicContact CG1-CG1 4.35Å; V42-V197 HydrophobicContact CG1-CG2 4.08Å
43	Y	98.4	Very high	97.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-50.1	176.6	166.3	-91.4	0	0	0	111.4	G39 Y40 Q41 Q45 C47 S48 M53 L101 L123 F200	G39-Y43 PolarHBondContact O-N 2.85Å; Y40-Y43 HydrophobicContact CD2-CD1 4.28Å; Y40-Y43 HydrophobicContact CE2-CD1 4.28Å; Y40-Y43 PolarHBondContact O-N 3.48Å; Q41-Y43 PolarHBondContact O-N 2.75Å; Y43-Q45 PolarHBondContact O-N 3.27Å; Y43-C47 HydrophobicContact CD2-CB 3.76Å; Y43-C47 HydrophobicContact CE2-CB 4.38Å; Y43-C47 HydrophobicContact CG-CB 4.44Å; Y43-C47 PolarHBondContact O-N 3.5Å; Y43-S48 WeakPolarHBondContact O-CB 3.3Å; Y43-S48 PolarHBondContact O-N 3.25Å; Y43-M53 HydrophobicContact CD2-CE 3.96Å; Y43-M53 HydrophobicContact CE2-CB 4.03Å; Y43-M53 HydrophobicContact CE2-CE 3.82Å; Y43-M53 HydrophobicContact CE2-SD 4.43Å; Y43-M53 WeakPolarHBondContact OH-CB 3.38Å; Y43-L101 HydrophobicContact CE1-CD1 3.76Å; Y43-L123 HydrophobicContact CD2-CD1 4.09Å; Y43-L123 HydrophobicContact CE2-CD1 4.07Å; Y43-F200 AromaticContact CD1-CE1 3.99Å; Y43-F200 HydrophobicContact CD1-CE1 3.99Å; Y43-F200 HydrophobicContact CD1-CZ 4.41Å; Y43-F200 HydrophobicContact CD2-CE1 4.18Å; Y43-F200 HydrophobicContact CG-CD1 4.36Å; Y43-F200 AromaticContact CG-CE1 3.63Å; Y43-F200 HydrophobicContact CG-CE1 3.63Å; Y43-F200 HydrophobicContact CG-CZ 4.48Å
44	K	97.4	Very high	97.6	Very high	63 Å²	63	32.3 Å²	32.3	27%	0.274	17%	0.17	S	C	.	.	H	α-helix	trans	-61.2	-45.3	-176.8	-178.1	-177.3	179.5	180	0	111.3	Y40 Q41 V42 S48 E74 E77	Y40-K44 HydrophobicContact CE1-CD 4.1Å; Y40-K44 VanDerWaalsContact O-CB 3.31Å; Y40-K44 WeakPolarHBondContact O-CB 3.18Å; Y40-K44 PolarHBondContact O-N 2.75Å; Q41-K44 PolarHBondContact O-N 3.35Å; V42-K44 PolarHBondContact O-N 2.83Å; K44-S48 PolarHBondContact O-OG 2.94Å; K44-E74 VanDerWaalsContact CD-OE1 3.26Å; K44-E74 WeakPolarHBondContact CD-OE1 3.37Å; K44-E74 WeakPolarHBondContact CE-OE1 3.3Å; K44-E74 IonicContact NZ-OE1 2.82Å; K44-E74 PolarHBondContact NZ-OE1 3.46Å; K44-E74 IonicContact NZ-OE2 3.39Å; K44-E74 PolarHBondContact NZ-OE2 3.28Å; K44-E77 IonicContact NZ-OE1 2.69Å; K44-E77 IonicContact NZ-OE2 3.23Å; K44-E77 PolarHBondContact NZ-OE2 2.7Å
45	Q	96.8	Very high	97.6	Very high	111 Å²	111	35.1 Å²	35.1	52%	0.519	18%	0.177	S	C	.	.	H	α-helix	trans	-84.9	-24.9	-173.6	-64.7	179.9	3.7	0	0	113.7	Q41 Y43	Q41-Q45 HydrophobicContact CG-CG 4.45Å; Q41-Q45 WeakPolarHBondContact O-CB 3.43Å; Q41-Q45 WeakPolarHBondContact O-CG 3.13Å; Q41-Q45 PolarHBondContact O-N 2.8Å; Y43-Q45 PolarHBondContact O-N 3.27Å
46	V	97.7	Very high	97.6	Very high	17 Å²	17	35.2 Å²	35.2	10%	0.103	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-59.5	-172.4	-169.9	0	0	0	0	111.8	V42 Q174 L175 M179	V42-V46 HydrophobicContact CG1-CG2 4.42Å; V42-V46 VanDerWaalsContact O-CB 3.27Å; V42-V46 WeakPolarHBondContact O-CB 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.48Å; V42-V46 PolarHBondContact O-N 3.36Å; V46-Q174 HydrophobicContact CG1-CB 3.92Å; V46-L175 HydrophobicContact CG1-CD2 4.18Å; V46-L175 HydrophobicContact CG2-CD2 4.38Å; V46-M179 HydrophobicContact CB-CE 4.41Å; V46-M179 HydrophobicContact CG1-CE 4.14Å; V46-M179 HydrophobicContact CG2-CE 3.36Å; V46-M179 HydrophobicContact CG2-SD 4.29Å
47	C	97.9	Very high	97.6	Very high	19 Å²	19	35.1 Å²	35.1	13%	0.128	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-75.1	-34.2	-168.6	-51.1	0	0	0	0	113.2	Y43 A49 C50 H51 L123	Y43-C47 HydrophobicContact CD2-CB 3.76Å; Y43-C47 HydrophobicContact CE2-CB 4.38Å; Y43-C47 HydrophobicContact CG-CB 4.44Å; Y43-C47 PolarHBondContact O-N 3.5Å; C47-A49 PolarHBondContact O-N 2.94Å; C47-A49 VanDerWaalsContact O-N 3.14Å; C47-C50 PolarHBondContact O-N 3.38Å; C47-H51 WeakPolarHBondContact O-CB 3.3Å; C47-H51 PolarHBondContact O-N 3.44Å; C47-L123 HydrophobicContact CB-CD1 4Å
48	S	97.3	Very high	97.6	Very high	34 Å²	34	32 Å²	32	24%	0.238	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.2	-20.1	-174	77.7	0	0	0	0	113.4	Y43 K44 C50 P104	Y43-S48 WeakPolarHBondContact O-CB 3.3Å; Y43-S48 PolarHBondContact O-N 3.25Å; K44-S48 PolarHBondContact O-OG 2.94Å; S48-C50 VanDerWaalsContact C-N 3.28Å; S48-C50 PolarHBondContact O-N 2.87Å; S48-P104 WeakPolarHBondContact O-CB 3.29Å
49	A	96.3	Very high	97.6	Very high	63 Å²	63	36.2 Å²	36.2	52%	0.521	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-66.3	-28.7	178.3	0	0	0	0	0	113	C47 P104	C47-A49 PolarHBondContact O-N 2.94Å; C47-A49 VanDerWaalsContact O-N 3.14Å; A49-P104 VanDerWaalsContact O-CB 3.26Å; A49-P104 WeakPolarHBondContact O-CB 3.39Å
50	C	97.3	Very high	97.6	Very high	41 Å²	41	38.4 Å²	38.4	28%	0.277	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-31.6	-178.3	-62.6	0	0	0	0	112.6	C47 S48 P104 P120	C47-C50 PolarHBondContact O-N 3.38Å; S48-C50 VanDerWaalsContact C-N 3.28Å; S48-C50 PolarHBondContact O-N 2.87Å; C50-P104 WeakPolarHBondContact O-CG 3.22Å; C50-P120 HydrophobicContact CB-CB 4.45Å; C50-P120 HydrophobicContact CB-CG 4.18Å; C50-P120 WeakPolarHBondContact O-CB 3.49Å; C50-P120 WeakPolarHBondContact O-CG 2.98Å
51	H	98.2	Very high	97.6	Very high	24 Å²	24	38 Å²	38	11%	0.111	19%	0.189	C	C	.	.			trans	-102.8	135.6	-173.9	-66	-88.4	0	0	0	112.6	C47 P121 L123	C47-H51 WeakPolarHBondContact O-CB 3.3Å; C47-H51 PolarHBondContact O-N 3.44Å; H51-P121 PolarHBondContact ND1-O 3.5Å; H51-L123 HydrophobicContact CB-CD1 3.41Å; H51-L123 VanDerWaalsContact CB-CD1 3.41Å; H51-L123 HydrophobicContact CB-CG 3.65Å
52	S	97.7	Very high	97.6	Very high	11 Å²	11	38.3 Å²	38.3	8%	0.077	19%	0.192	C	C	.	.			trans	-81.7	158.3	169.3	64.9	0	0	0	0	111.6	N103 D122 L123	S52-N103 VanDerWaalsContact CB-OD1 3.3Å; S52-N103 WeakPolarHBondContact CB-OD1 3.4Å; S52-D122 WeakPolarHBondContact CB-OD1 3.16Å; S52-D122 CarbonylContact O-C 3.5Å; S52-D122 WeakPolarHBondContact O-CA 3.49Å; S52-D122 WeakPolarHBondContact OG-CB 3.49Å; S52-D122 PolarHBondContact OG-OD1 3.27Å; S52-L123 PolarHBondContact O-N 3.33Å
53	M	97.5	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.			trans	-137.4	72.6	166.7	-173	176.9	-80.8	0	0	109.6	Y43 Q55 I56 L101 D122 L123 S124 F200 L201 A204	Y43-M53 HydrophobicContact CD2-CE 3.96Å; Y43-M53 HydrophobicContact CE2-CB 4.03Å; Y43-M53 HydrophobicContact CE2-CE 3.82Å; Y43-M53 HydrophobicContact CE2-SD 4.43Å; Y43-M53 WeakPolarHBondContact OH-CB 3.38Å; M53-Q55 VanDerWaalsContact C-N 3.29Å; M53-Q55 PolarHBondContact O-N 2.94Å; M53-I56 HydrophobicContact CG-CB 3.79Å; M53-I56 HydrophobicContact CG-CG1 3.65Å; M53-I56 PolarHBondContact O-N 3.29Å; M53-I56 HydrophobicContact SD-CB 3.74Å; M53-I56 HydrophobicContact SD-CG1 3.48Å; M53-I56 WeakPolarHBondContact SD-CG1 3.36Å; M53-I56 HydrophobicContact SD-CG2 4.23Å; M53-L101 HydrophobicContact CB-CD1 3.97Å; M53-L101 HydrophobicContact CG-CD1 4.06Å; M53-L101 HydrophobicContact SD-CD1 3.64Å; M53-D122 WeakPolarHBondContact CA-OD1 3.3Å; M53-D122 PolarHBondContact N-OD1 2.99Å; M53-L123 HydrophobicContact CE-CB 3.99Å; M53-S124 VanDerWaalsContact C-OG 3.22Å; M53-S124 WeakPolarHBondContact CA-OG 3.27Å; M53-F200 HydrophobicContact CE-CD1 4.46Å; M53-F200 HydrophobicContact CE-CE1 3.58Å; M53-F200 HydrophobicContact CE-CZ 4.07Å; M53-F200 HydrophobicContact SD-CE1 3.99Å; M53-F200 HydrophobicContact SD-CZ 3.86Å; M53-L201 HydrophobicContact CE-CD2 3.33Å; M53-A204 HydrophobicContact CE-CB 4.1Å; M53-A204 HydrophobicContact SD-CB 4.19Å
54	R	96.5	Very high	97.2	Very high	122 Å²	122	46.2 Å²	46.2	46%	0.46	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.6	-167.9	-68.3	173.6	179.8	176.2	5.1	115.2	Y100 N103 D108 D122 S124	R54-Y100 WeakPolarHBondContact O-CD1 3.33Å; R54-Y100 WeakPolarHBondContact O-CE1 3.36Å; R54-N103 VanDerWaalsContact CG-OD1 3.32Å; R54-N103 WeakPolarHBondContact CG-OD1 3.41Å; R54-N103 PolarHBondContact NE-OD1 2.97Å; R54-D108 IonicContact NH2-OD1 3.59Å; R54-D108 PolarHBondContact NH2-OD1 3.22Å; R54-D122 WeakPolarHBondContact CG-OD1 3.37Å; R54-D122 PolarHBondContact N-OD1 2.97Å; R54-S124 PolarHBondContact N-OG 3.41Å
55	Q	96.8	Very high	97.1	Very high	98 Å²	98	44 Å²	44	46%	0.458	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.7	-177.1	-50	-177	29.7	0	0	113.5	M53 H60 S124	M53-Q55 VanDerWaalsContact C-N 3.29Å; M53-Q55 PolarHBondContact O-N 2.94Å; Q55-H60 PolarHBondContact O-CE1 2.73Å; Q55-S124 PolarHBondContact N-OG 3.45Å
56	I	97.6	Very high	97.2	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.209	C	C	.	.			trans	-103.4	123.4	178.4	-61.3	-56.8	0	0	0	110.4	M53 F61 Y100 L101 A204	M53-I56 HydrophobicContact CG-CB 3.79Å; M53-I56 HydrophobicContact CG-CG1 3.65Å; M53-I56 PolarHBondContact O-N 3.29Å; M53-I56 HydrophobicContact SD-CB 3.74Å; M53-I56 HydrophobicContact SD-CG1 3.48Å; M53-I56 WeakPolarHBondContact SD-CG1 3.36Å; M53-I56 HydrophobicContact SD-CG2 4.23Å; I56-F61 HydrophobicContact CG2-CD1 4.37Å; I56-F61 HydrophobicContact CG2-CE1 3.41Å; I56-F61 VanDerWaalsContact CG2-CE1 3.41Å; I56-F61 HydrophobicContact CG2-CZ 3.82Å; I56-Y100 WeakPolarHBondContact O-CA 3.26Å; I56-Y100 WeakPolarHBondContact O-CD1 3.47Å; I56-L101 HydrophobicContact CB-CD1 4Å; I56-L101 HydrophobicContact CG2-CD1 3.82Å; I56-L101 HydrophobicContact CG2-CG 4.33Å; I56-L101 PolarHBondContact O-N 3.08Å; I56-A204 HydrophobicContact CD1-CB 4.06Å; I56-A204 HydrophobicContact CG1-CB 3.96Å
57	A	97.7	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-111.1	155.2	170.9	0	0	0	0	0	109.9	R59 H60 D99 Y100	A57-R59 HydrophobicContact CB-CG 3.95Å; A57-R59 PolarHBondContact O-N 3.28Å; A57-R59 VanDerWaalsContact O-N 3.08Å; A57-H60 PolarHBondContact N-ND1 2.72Å; A57-H60 VanDerWaalsContact O-CB 3.29Å; A57-H60 WeakPolarHBondContact O-CB 3.31Å; A57-H60 PolarHBondContact O-N 3.06Å; A57-D99 VanDerWaalsContact CA-O 3.28Å; A57-D99 WeakPolarHBondContact CA-O 3.46Å; A57-D99 VanDerWaalsContact CB-O 3.27Å; A57-D99 WeakPolarHBondContact CB-O 3.2Å; A57-Y100 HydrophobicContact CB-CD1 3.91Å; A57-Y100 HydrophobicContact CB-CE1 4.02Å; A57-Y100 HydrophobicContact CB-CG 4.19Å
58	Y	98.2	Very high	97.2	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.016	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.1	-27.7	-176.4	-68.3	-77.4	0	0	0	113.2	H60 F61 E74 A75 I78 D99 L101	Y58-H60 PolarHBondContact O-N 3.23Å; Y58-H60 VanDerWaalsContact O-N 3.16Å; Y58-F61 AromaticContact CD1-CD2 3.8Å; Y58-F61 HydrophobicContact CD1-CD2 3.8Å; Y58-F61 AromaticContact CD1-CE2 3.51Å; Y58-F61 HydrophobicContact CD1-CE2 3.51Å; Y58-F61 AromaticContact CE1-CE2 3.96Å; Y58-F61 HydrophobicContact CE1-CE2 3.96Å; Y58-F61 HydrophobicContact CG-CE2 4.41Å; Y58-F61 WeakPolarHBondContact O-CB 3.47Å; Y58-F61 PolarHBondContact O-N 3.45Å; Y58-E74 HydrophobicContact CD1-CG 4.07Å; Y58-E74 HydrophobicContact CE1-CG 3.85Å; Y58-A75 HydrophobicContact CD1-CB 3.96Å; Y58-A75 HydrophobicContact CD2-CB 3.64Å; Y58-A75 HydrophobicContact CE1-CB 4.41Å; Y58-A75 HydrophobicContact CE2-CB 4.11Å; Y58-A75 HydrophobicContact CG-CB 3.56Å; Y58-I78 HydrophobicContact CE2-CD1 3.71Å; Y58-I78 HydrophobicContact CE2-CG1 4.22Å; Y58-D99 VanDerWaalsContact CD2-O 3.32Å; Y58-D99 WeakPolarHBondContact CD2-O 3.35Å; Y58-D99 PolarHBondContact N-O 3.31Å; Y58-D99 VanDerWaalsContact N-O 3.16Å; Y58-L101 HydrophobicContact CD1-CD2 4.37Å; Y58-L101 HydrophobicContact CE1-CD2 3.7Å; Y58-L101 HydrophobicContact CE2-CD2 4.38Å
59	R	98.1	Very high	97.2	Very high	113 Å²	113	51.8 Å²	51.8	43%	0.426	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-57.9	-25.3	172.1	63.9	-179	179.7	78.3	7.6	113.7	A57 F61 L97	A57-R59 HydrophobicContact CB-CG 3.95Å; A57-R59 PolarHBondContact O-N 3.28Å; A57-R59 VanDerWaalsContact O-N 3.08Å; R59-F61 VanDerWaalsContact C-N 3.27Å; R59-L97 HydrophobicContact CB-CB 4.28Å; R59-L97 VanDerWaalsContact CB-O 3.27Å; R59-L97 WeakPolarHBondContact CB-O 3.03Å; R59-L97 PolarHBondContact N-O 3.23Å
60	H	97.6	Very high	97.3	Very high	46 Å²	46	52 Å²	52	21%	0.213	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-73	-21.6	176.8	-61.9	155.7	0	0	0	112.1	Q55 A57 Y58 A64 W203	Q55-H60 PolarHBondContact O-CE1 2.73Å; A57-H60 PolarHBondContact N-ND1 2.72Å; A57-H60 VanDerWaalsContact O-CB 3.29Å; A57-H60 WeakPolarHBondContact O-CB 3.31Å; A57-H60 PolarHBondContact O-N 3.06Å; Y58-H60 PolarHBondContact O-N 3.23Å; Y58-H60 VanDerWaalsContact O-N 3.16Å; H60-A64 VanDerWaalsContact O-CB 3.29Å; H60-A64 WeakPolarHBondContact O-CB 3.07Å; H60-W203 HydrophobicContact CB-CH2 4Å; H60-W203 HydrophobicContact CB-CZ2 4.44Å; H60-W203 VanDerWaalsContact O-CZ2 3.32Å; H60-W203 WeakPolarHBondContact O-CZ2 3.39Å
61	F	98	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-28.5	179.3	-55.2	-20.5	0	0	0	112.5	Y40 I56 Y58 R59 N63 A64 F65 M66 A71 L101 F200 W203	Y40-F61 HydrophobicContact CD2-CE1 4.42Å; Y40-F61 HydrophobicContact CD2-CE2 4.24Å; Y40-F61 AromaticContact CD2-CZ 3.83Å; Y40-F61 HydrophobicContact CD2-CZ 3.83Å; Y40-F61 HydrophobicContact CE1-CE2 4.35Å; Y40-F61 HydrophobicContact CE2-CE1 4.4Å; Y40-F61 AromaticContact CE2-CE2 3.57Å; Y40-F61 HydrophobicContact CE2-CE2 3.57Å; Y40-F61 AromaticContact CE2-CZ 3.41Å; Y40-F61 HydrophobicContact CE2-CZ 3.41Å; Y40-F61 VanDerWaalsContact CE2-CZ 3.41Å; Y40-F61 AromaticContact CZ-CE2 3.63Å; Y40-F61 AromaticContact CZ-CZ 3.99Å; I56-F61 HydrophobicContact CG2-CD1 4.37Å; I56-F61 HydrophobicContact CG2-CE1 3.41Å; I56-F61 VanDerWaalsContact CG2-CE1 3.41Å; I56-F61 HydrophobicContact CG2-CZ 3.82Å; Y58-F61 AromaticContact CD1-CD2 3.8Å; Y58-F61 HydrophobicContact CD1-CD2 3.8Å; Y58-F61 AromaticContact CD1-CE2 3.51Å; Y58-F61 HydrophobicContact CD1-CE2 3.51Å; Y58-F61 AromaticContact CE1-CE2 3.96Å; Y58-F61 HydrophobicContact CE1-CE2 3.96Å; Y58-F61 HydrophobicContact CG-CE2 4.41Å; Y58-F61 WeakPolarHBondContact O-CB 3.47Å; Y58-F61 PolarHBondContact O-N 3.45Å; R59-F61 VanDerWaalsContact C-N 3.27Å; F61-N63 PolarHBondContact O-N 2.83Å; F61-A64 PolarHBondContact O-N 2.85Å; F61-F65 HydrophobicContact CB-CE1 4Å; F61-F65 HydrophobicContact CB-CE2 4.38Å; F61-F65 HydrophobicContact CB-CZ 3.84Å; F61-F65 AromaticContact CD1-CE1 3.34Å; F61-F65 HydrophobicContact CD1-CE1 3.34Å; F61-F65 HydrophobicContact CD1-CE2 4.45Å; F61-F65 AromaticContact CD1-CZ 3.27Å; F61-F65 HydrophobicContact CD1-CZ 3.27Å; F61-F65 HydrophobicContact CD2-CZ 4.07Å; F61-F65 AromaticContact CE1-CE1 3.95Å; F61-F65 HydrophobicContact CE1-CE1 3.95Å; F61-F65 AromaticContact CE1-CZ 3.71Å; F61-F65 HydrophobicContact CE1-CZ 3.71Å; F61-F65 HydrophobicContact CE2-CZ 4.44Å; F61-F65 AromaticContact CG-CE1 3.85Å; F61-F65 HydrophobicContact CG-CE1 3.85Å; F61-F65 HydrophobicContact CG-CE2 4.3Å; F61-F65 AromaticContact CG-CZ 3.47Å; F61-F65 HydrophobicContact CG-CZ 3.47Å; F61-F65 VanDerWaalsContact CG-CZ 3.47Å; F61-F65 HydrophobicContact CZ-CZ 4.28Å; F61-F65 PolarHBondContact O-N 3.35Å; F61-M66 HydrophobicContact CB-CB 4.33Å; F61-M66 HydrophobicContact CB-SD 4.14Å; F61-M66 HydrophobicContact CD2-SD 4.16Å; F61-M66 HydrophobicContact CG-SD 4.49Å; F61-M66 PolarHBondContact O-N 2.89Å; F61-A71 HydrophobicContact CB-CB 4.27Å; F61-L101 HydrophobicContact CE2-CD2 4.17Å; F61-L101 HydrophobicContact CZ-CD1 4.17Å; F61-L101 HydrophobicContact CZ-CD2 3.97Å; F61-L101 HydrophobicContact CZ-CG 4.38Å; F61-F200 HydrophobicContact CE1-CE2 4.41Å; F61-W203 AromaticContact CD1-CH2 3.74Å; F61-W203 HydrophobicContact CD1-CH2 3.74Å; F61-W203 HydrophobicContact CD1-CZ3 4.15Å; F61-W203 HydrophobicContact CE1-CH2 4.06Å; F61-W203 HydrophobicContact CE1-CZ3 4.05Å
62	V	97.8	Very high	97.4	Very high	31 Å²	31	53.6 Å²	53.6	19%	0.188	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-60.4	120.5	-176.5	-178.3	0	0	0	0	110.6	A64 E68 A71 L97	V62-A64 PolarHBondContact O-N 3.26Å; V62-A64 VanDerWaalsContact O-N 3.08Å; V62-E68 HydrophobicContact CG1-CB 3.88Å; V62-E68 HydrophobicContact CG1-CG 4.16Å; V62-A71 HydrophobicContact CG2-CB 3.72Å; V62-L97 HydrophobicContact CG2-CD1 4.15Å; V62-L97 HydrophobicContact CG2-CD2 3.9Å
63	N	94.5	Very high	97.4	Very high	144 Å²	144	56 Å²	56	77%	0.77	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	9.6	-176.5	-56.7	-44.7	0	0	0	114.7	F61 M66	F61-N63 PolarHBondContact O-N 2.83Å; N63-M66 PolarHBondContact N-O 2.76Å
64	A	94.8	Very high	97.4	Very high	27 Å²	27	57 Å²	57	22%	0.223	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-55.9	169.1	0	0	0	0	0	110.3	T33 H60 F61 V62 W203	T33-A64 WeakPolarHBondContact CG2-O 3.42Å; H60-A64 VanDerWaalsContact O-CB 3.29Å; H60-A64 WeakPolarHBondContact O-CB 3.07Å; F61-A64 PolarHBondContact O-N 2.85Å; V62-A64 PolarHBondContact O-N 3.26Å; V62-A64 VanDerWaalsContact O-N 3.08Å; A64-W203 HydrophobicContact CB-CZ2 3.61Å
65	F	95.9	Very high	97.5	Very high	17 Å²	17	51.1 Å²	51.1	8%	0.075	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-4.5	176	64.5	-91.8	0	0	0	113.9	I36 R37 Y40 F61 F200 W203	I36-F65 HydrophobicContact CB-CB 4.37Å; I36-F65 HydrophobicContact CG2-CB 4.06Å; I36-F65 HydrophobicContact CG2-CD1 3.37Å; I36-F65 HydrophobicContact CG2-CE1 3.87Å; I36-F65 HydrophobicContact CG2-CG 3.77Å; R37-F65 HydrophobicContact CB-CB 4.27Å; R37-F65 HydrophobicContact CB-CD2 3.96Å; R37-F65 HydrophobicContact CB-CG 4.5Å; R37-F65 HydrophobicContact CG-CD2 4.08Å; R37-F65 PolarHBondContact NH1-O 2.9Å; Y40-F65 AromaticContact CD1-CE2 3.99Å; Y40-F65 HydrophobicContact CD1-CE2 3.99Å; Y40-F65 HydrophobicContact CD1-CZ 4.33Å; Y40-F65 HydrophobicContact CD2-CZ 4.32Å; Y40-F65 AromaticContact CG-CE2 3.92Å; Y40-F65 HydrophobicContact CG-CE2 3.92Å; Y40-F65 AromaticContact CG-CZ 3.9Å; Y40-F65 HydrophobicContact CG-CZ 3.9Å; F61-F65 HydrophobicContact CB-CE1 4Å; F61-F65 HydrophobicContact CB-CE2 4.38Å; F61-F65 HydrophobicContact CB-CZ 3.84Å; F61-F65 AromaticContact CD1-CE1 3.34Å; F61-F65 HydrophobicContact CD1-CE1 3.34Å; F61-F65 HydrophobicContact CD1-CE2 4.45Å; F61-F65 AromaticContact CD1-CZ 3.27Å; F61-F65 HydrophobicContact CD1-CZ 3.27Å; F61-F65 HydrophobicContact CD2-CZ 4.07Å; F61-F65 AromaticContact CE1-CE1 3.95Å; F61-F65 HydrophobicContact CE1-CE1 3.95Å; F61-F65 AromaticContact CE1-CZ 3.71Å; F61-F65 HydrophobicContact CE1-CZ 3.71Å; F61-F65 HydrophobicContact CE2-CZ 4.44Å; F61-F65 AromaticContact CG-CE1 3.85Å; F61-F65 HydrophobicContact CG-CE1 3.85Å; F61-F65 HydrophobicContact CG-CE2 4.3Å; F61-F65 AromaticContact CG-CZ 3.47Å; F61-F65 HydrophobicContact CG-CZ 3.47Å; F61-F65 VanDerWaalsContact CG-CZ 3.47Å; F61-F65 HydrophobicContact CZ-CZ 4.28Å; F61-F65 PolarHBondContact O-N 3.35Å; F65-F200 HydrophobicContact CE1-CE2 4.34Å; F65-F200 HydrophobicContact CZ-CE2 4.31Å; F65-W203 HydrophobicContact CD1-CH2 4.36Å; F65-W203 HydrophobicContact CD1-CZ2 4.35Å; F65-W203 HydrophobicContact CE1-CE3 4.3Å; F65-W203 AromaticContact CE1-CH2 3.74Å; F65-W203 HydrophobicContact CE1-CH2 3.74Å; F65-W203 HydrophobicContact CE1-CZ2 4.18Å; F65-W203 AromaticContact CE1-CZ3 3.8Å; F65-W203 HydrophobicContact CE1-CZ3 3.8Å
66	M	97	Very high	97.5	Very high	19 Å²	19	48.7 Å²	48.7	9%	0.094	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-126	151.4	173.1	-75.3	171.9	169.9	0	0	110.2	Y40 F61 N63 E70 A71 E74	Y40-M66 HydrophobicContact CD1-CE 3.78Å; Y40-M66 HydrophobicContact CE1-CE 3.8Å; F61-M66 HydrophobicContact CB-CB 4.33Å; F61-M66 HydrophobicContact CB-SD 4.14Å; F61-M66 HydrophobicContact CD2-SD 4.16Å; F61-M66 HydrophobicContact CG-SD 4.49Å; F61-M66 PolarHBondContact O-N 2.89Å; N63-M66 PolarHBondContact N-O 2.76Å; M66-E70 WeakPolarHBondContact CA-OE2 3.35Å; M66-E70 HydrophobicContact CB-CB 4.05Å; M66-E70 HydrophobicContact CG-CB 4.29Å; M66-A71 HydrophobicContact CB-CB 4.28Å; M66-E74 HydrophobicContact CE-CG 4.33Å; M66-E74 HydrophobicContact SD-CB 4.46Å; M66-E74 HydrophobicContact SD-CG 4.42Å
67	T	97.8	Very high	97.5	Very high	70 Å²	70	54.6 Å²	54.6	43%	0.429	28%	0.283	S	S	.	.			trans	-68.3	165.2	164.6	69.9	0	0	0	0	110.4	E69 E70 A71	T67-E69 VanDerWaalsContact C-N 3.26Å; T67-E69 PolarHBondContact O-N 3.42Å; T67-E70 PolarHBondContact N-OE2 2.93Å; T67-E70 PolarHBondContact O-N 3.29Å; T67-E70 WeakPolarHBondContact OG1-CB 3.27Å; T67-E70 VanDerWaalsContact OG1-CG 3.24Å; T67-E70 WeakPolarHBondContact OG1-CG 3.33Å; T67-E70 PolarHBondContact OG1-N 3.07Å; T67-E70 VanDerWaalsContact OG1-N 3.17Å; T67-E70 PolarHBondContact OG1-OE2 3.37Å; T67-A71 WeakPolarHBondContact O-CB 3.2Å; T67-A71 PolarHBondContact O-N 3.46Å
68	E	98.1	Very high	97.4	Very high	94 Å²	94	56.2 Å²	56.2	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-37	175.9	-169.9	-177.1	154.4	0	0	112.2	V62 K72 L97	V62-E68 HydrophobicContact CG1-CB 3.88Å; V62-E68 HydrophobicContact CG1-CG 4.16Å; E68-K72 HydrophobicContact CG-CD 4.45Å; E68-K72 WeakPolarHBondContact O-CB 3.26Å; E68-K72 VanDerWaalsContact O-CG 3.28Å; E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 2.97Å; E68-K72 WeakPolarHBondContact OE1-CE 3.35Å; E68-K72 IonicContact OE1-NZ 2.73Å; E68-K72 PolarHBondContact OE1-NZ 3.29Å; E68-L97 HydrophobicContact CG-CD1 4.11Å
69	E	98.4	Very high	97.3	Very high	161 Å²	161	61.8 Å²	61.8	75%	0.752	32%	0.318	S	S	*	.	H	α-helix	trans	-68.8	-45.1	178.9	-64.8	-178.6	174	0	0	111.6	T67 K72 A73	T67-E69 VanDerWaalsContact C-N 3.26Å; T67-E69 PolarHBondContact O-N 3.42Å; E69-K72 PolarHBondContact O-N 3.42Å; E69-A73 PolarHBondContact O-N 3.22Å
70	E	97.9	Very high	97.2	Very high	68 Å²	68	57.9 Å²	57.9	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-46.6	174.5	-71.7	173.6	142.2	0	0	111.4	R37 M66 T67 K72 A73 E74	R37-E70 IonicContact CZ-OE1 3.83Å; R37-E70 IonicContact CZ-OE2 2.67Å; R37-E70 VanDerWaalsContact NH1-CD 3.34Å; R37-E70 IonicContact NH1-OE1 2.94Å; R37-E70 PolarHBondContact NH1-OE1 2.71Å; R37-E70 VanDerWaalsContact NH1-OE1 3.15Å; R37-E70 IonicContact NH1-OE2 2.81Å; R37-E70 PolarHBondContact NH1-OE2 3.42Å; R37-E70 IonicContact NH2-OE1 3.82Å; R37-E70 PolarHBondContact NH2-OE1 3.01Å; R37-E70 IonicContact NH2-OE2 3.8Å; M66-E70 WeakPolarHBondContact CA-OE2 3.35Å; M66-E70 HydrophobicContact CB-CB 4.05Å; M66-E70 HydrophobicContact CG-CB 4.29Å; T67-E70 PolarHBondContact N-OE2 2.93Å; T67-E70 PolarHBondContact O-N 3.29Å; T67-E70 WeakPolarHBondContact OG1-CB 3.27Å; T67-E70 VanDerWaalsContact OG1-CG 3.24Å; T67-E70 WeakPolarHBondContact OG1-CG 3.33Å; T67-E70 PolarHBondContact OG1-N 3.07Å; T67-E70 VanDerWaalsContact OG1-N 3.17Å; T67-E70 PolarHBondContact OG1-OE2 3.37Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.04Å; E70-A73 PolarHBondContact O-N 2.93Å; E70-E74 VanDerWaalsContact O-CB 3.28Å; E70-E74 WeakPolarHBondContact O-CB 3.16Å; E70-E74 PolarHBondContact O-N 2.77Å
71	A	98.3	Very high	97	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-31.1	179.5	0	0	0	0	0	112.8	F61 V62 M66 T67 A75 L97	F61-A71 HydrophobicContact CB-CB 4.27Å; V62-A71 HydrophobicContact CG2-CB 3.72Å; M66-A71 HydrophobicContact CB-CB 4.28Å; T67-A71 WeakPolarHBondContact O-CB 3.2Å; T67-A71 PolarHBondContact O-N 3.46Å; A71-A75 WeakPolarHBondContact O-CB 3.34Å; A71-A75 PolarHBondContact O-N 3.38Å; A71-L97 HydrophobicContact CB-CD2 3.7Å
72	K	98.4	Very high	96.8	Very high	98 Å²	98	63.8 Å²	63.8	43%	0.426	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-44	172.6	-79	172.9	-175.7	166	0	111.5	E68 E69 E70 E74 A75 A76 L97	E68-K72 HydrophobicContact CG-CD 4.45Å; E68-K72 WeakPolarHBondContact O-CB 3.26Å; E68-K72 VanDerWaalsContact O-CG 3.28Å; E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 2.97Å; E68-K72 WeakPolarHBondContact OE1-CE 3.35Å; E68-K72 IonicContact OE1-NZ 2.73Å; E68-K72 PolarHBondContact OE1-NZ 3.29Å; E69-K72 PolarHBondContact O-N 3.42Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.04Å; K72-E74 VanDerWaalsContact C-N 3.34Å; K72-A75 PolarHBondContact O-N 2.89Å; K72-A76 WeakPolarHBondContact O-CB 3.39Å; K72-A76 PolarHBondContact O-N 2.74Å; K72-L97 HydrophobicContact CG-CD1 3.87Å; K72-L97 HydrophobicContact CG-CD2 3.99Å; K72-L97 HydrophobicContact CG-CG 3.8Å
73	A	98.3	Very high	96.5	Very high	61 Å²	61	63.6 Å²	63.6	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-46.6	176.6	0	0	0	0	0	110.6	E69 E70 A75 A76 E77	E69-A73 PolarHBondContact O-N 3.22Å; E70-A73 PolarHBondContact O-N 2.93Å; A73-A75 PolarHBondContact O-N 3.18Å; A73-A76 WeakPolarHBondContact O-CB 3.5Å; A73-A76 PolarHBondContact O-N 3.5Å; A73-A76 VanDerWaalsContact O-N 3.12Å; A73-E77 PolarHBondContact O-N 3.37Å
74	E	97.7	Very high	96.4	Very high	20 Å²	20	61.3 Å²	61.3	9%	0.093	33%	0.332	C	S	.	.	H	α-helix	trans	-58	-46.6	176.1	178.3	61.5	-153.2	0	0	112.1	Y40 K44 Y58 M66 E70 K72 A76 E77	Y40-E74 HydrophobicContact CE1-CG 4.09Å; Y40-E74 WeakPolarHBondContact CE1-OE1 3.2Å; Y40-E74 PolarHBondContact OH-OE1 3.13Å; K44-E74 VanDerWaalsContact CD-OE1 3.26Å; K44-E74 WeakPolarHBondContact CD-OE1 3.37Å; K44-E74 WeakPolarHBondContact CE-OE1 3.3Å; K44-E74 IonicContact NZ-OE1 2.82Å; K44-E74 PolarHBondContact NZ-OE1 3.46Å; K44-E74 IonicContact NZ-OE2 3.39Å; K44-E74 PolarHBondContact NZ-OE2 3.28Å; Y58-E74 HydrophobicContact CD1-CG 4.07Å; Y58-E74 HydrophobicContact CE1-CG 3.85Å; M66-E74 HydrophobicContact CE-CG 4.33Å; M66-E74 HydrophobicContact SD-CB 4.46Å; M66-E74 HydrophobicContact SD-CG 4.42Å; E70-E74 VanDerWaalsContact O-CB 3.28Å; E70-E74 WeakPolarHBondContact O-CB 3.16Å; E70-E74 PolarHBondContact O-N 2.77Å; K72-E74 VanDerWaalsContact C-N 3.34Å; E74-A76 VanDerWaalsContact C-N 3.29Å; E74-A76 PolarHBondContact O-N 3.31Å; E74-E77 WeakPolarHBondContact O-CB 3.25Å; E74-E77 PolarHBondContact O-N 2.8Å
75	A	98.1	Very high	96.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-34.4	176.8	0	0	0	0	0	112.5	Y58 A71 K72 A73 E77 I78 G95	Y58-A75 HydrophobicContact CD1-CB 3.96Å; Y58-A75 HydrophobicContact CD2-CB 3.64Å; Y58-A75 HydrophobicContact CE1-CB 4.41Å; Y58-A75 HydrophobicContact CE2-CB 4.11Å; Y58-A75 HydrophobicContact CG-CB 3.56Å; A71-A75 WeakPolarHBondContact O-CB 3.34Å; A71-A75 PolarHBondContact O-N 3.38Å; K72-A75 PolarHBondContact O-N 2.89Å; A73-A75 PolarHBondContact O-N 3.18Å; A75-E77 PolarHBondContact O-N 2.99Å; A75-I78 WeakPolarHBondContact O-CG1 3.07Å; A75-I78 PolarHBondContact O-N 3.46Å; A75-G95 CarbonylContact C-O 3.53Å; A75-G95 CarbonylContact O-C 3.43Å; A75-G95 WeakPolarHBondContact O-CA 3.18Å; A75-G95 PolarHBondContact O-N 3.02Å
76	A	98.1	Very high	96.1	Very high	46 Å²	46	69.2 Å²	69.2	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-71.7	-13	-178.1	0	0	0	0	0	113.7	K72 A73 E74 I78 P94	K72-A76 WeakPolarHBondContact O-CB 3.39Å; K72-A76 PolarHBondContact O-N 2.74Å; A73-A76 WeakPolarHBondContact O-CB 3.5Å; A73-A76 PolarHBondContact O-N 3.5Å; A73-A76 VanDerWaalsContact O-N 3.12Å; E74-A76 VanDerWaalsContact C-N 3.29Å; E74-A76 PolarHBondContact O-N 3.31Å; A76-I78 VanDerWaalsContact C-N 3.28Å; A76-I78 PolarHBondContact O-N 2.99Å; A76-P94 HydrophobicContact CB-CB 4.23Å
77	E	96.8	Very high	95.9	Very high	127 Å²	127	73.3 Å²	73.3	59%	0.593	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-26	176.4	-64.5	-173.7	-178.7	0	0	113	K44 A73 E74 A75	K44-E77 IonicContact NZ-OE1 2.69Å; K44-E77 IonicContact NZ-OE2 3.23Å; K44-E77 PolarHBondContact NZ-OE2 2.7Å; A73-E77 PolarHBondContact O-N 3.37Å; E74-E77 WeakPolarHBondContact O-CB 3.25Å; E74-E77 PolarHBondContact O-N 2.8Å; A75-E77 PolarHBondContact O-N 2.99Å
78	I	95.4	Very high	95.7	Very high	34 Å²	34	72.8 Å²	72.8	17%	0.174	41%	0.408	C	S	.	.	S	Bend	trans	-92	150.1	178.3	66.5	157.2	0	0	0	111.4	Y58 A75 A76 V80 G95 P102	Y58-I78 HydrophobicContact CE2-CD1 3.71Å; Y58-I78 HydrophobicContact CE2-CG1 4.22Å; A75-I78 WeakPolarHBondContact O-CG1 3.07Å; A75-I78 PolarHBondContact O-N 3.46Å; A76-I78 VanDerWaalsContact C-N 3.28Å; A76-I78 PolarHBondContact O-N 2.99Å; I78-V80 HydrophobicContact CD1-CG2 3.57Å; I78-V80 HydrophobicContact CG1-CG2 4.03Å; I78-G95 PolarHBondContact O-N 2.6Å; I78-P102 HydrophobicContact CG2-CG 4.26Å
79	Q	96.1	Very high	95.6	Very high	122 Å²	122	74.9 Å²	74.9	57%	0.57	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.6	167.7	-67	-66.7	-22.8	0	0	109.3	R93	Q79-R93 WeakPolarHBondContact CA-O 3.5Å; Q79-R93 PolarHBondContact OE1-O 2.95Å
80	V	95.6	Very high	95.5	Very high	30 Å²	30	72 Å²	72	18%	0.182	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128	179.3	-179.2	0	0	0	0	108.2	I78 D82 R93 D99	I78-V80 HydrophobicContact CD1-CG2 3.57Å; I78-V80 HydrophobicContact CG1-CG2 4.03Å; V80-D82 PolarHBondContact O-N 3.27Å; V80-R93 PolarHBondContact N-O 3.23Å; V80-R93 PolarHBondContact O-N 3.39Å; V80-D99 HydrophobicContact CG2-CB 4.3Å
81	E	94.8	Very high	95.3	Very high	127 Å²	127	74 Å²	74	59%	0.593	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	124.7	170.1	-171.2	175.1	-121.3	0	0	109.1	M90 M92	E81-M90 HydrophobicContact CG-CB 4.05Å; E81-M90 HydrophobicContact CG-CE 4.16Å; E81-M92 HydrophobicContact CB-CE 3.88Å; E81-M92 HydrophobicContact CB-SD 3.87Å; E81-M92 HydrophobicContact CG-CE 4.23Å
82	D	93.8	Very high	95.2	Very high	44 Å²	44	79.5 Å²	79.5	24%	0.235	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	173	178.9	-152.9	-21.9	0	0	0	109.7	V80 M90 Y91 R93 K96	V80-D82 PolarHBondContact O-N 3.27Å; D82-M90 WeakPolarHBondContact O-CA 3.47Å; D82-M90 WeakPolarHBondContact O-CE 3.29Å; D82-Y91 HydrophobicContact CB-CE2 4.29Å; D82-Y91 PolarHBondContact N-O 3.45Å; D82-Y91 PolarHBondContact O-N 3.23Å; D82-R93 HydrophobicContact CB-CG 4.08Å; D82-R93 IonicContact OD2-CZ 3.39Å; D82-R93 VanDerWaalsContact OD2-CZ 3.26Å; D82-R93 IonicContact OD2-NE 3.77Å; D82-R93 PolarHBondContact OD2-NE 3.18Å; D82-R93 IonicContact OD2-NH2 2.84Å; D82-R93 PolarHBondContact OD2-NH2 3.45Å; D82-K96 IonicContact OD2-NZ 2.7Å
83	G	91.1	Very high	95.1	Very high	27 Å²	27	76.5 Å²	76.5	28%	0.278	42%	0.421	S	S	.	.			trans	123.9	-162.3	178.5	0	0	0	0	0	113.5
84	P	92.2	Very high	95.1	Very high	95 Å²	95	77.2 Å²	77.2	62%	0.617	42%	0.421	S	S	*	.			cis	-67.5	148.4	2.8	28.1	-34.9	0	0	0	112.9	K89	P84-K89 WeakPolarHBondContact CA-O 3.33Å
85	G	90.4	Very high	95.1	Very high	23 Å²	23	76.6 Å²	76.6	24%	0.237	42%	0.42	C	S	.	.			trans	-76.1	-177	168.7	0	0	0	0	0	112.5	D87 G88 K89	G85-D87 PolarHBondContact O-N 3.37Å; G85-D87 VanDerWaalsContact O-N 3.11Å; G85-G88 PolarHBondContact O-N 2.95Å; G85-K89 PolarHBondContact N-O 2.82Å
86	D	93.4	Very high	95.1	Very high	187 Å²	187	80.9 Å²	80.9	100%	1	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.1	179.6	-65.6	-24.9	0	0	0	113.4	G88	D86-G88 VanDerWaalsContact C-N 3.33Å
87	D	93.5	Very high	95.1	Very high	106 Å²	106	80.3 Å²	80.3	57%	0.567	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	2.7	175.5	74.9	-23.2	0	0	0	113.8	G85 K89	G85-D87 PolarHBondContact O-N 3.37Å; G85-D87 VanDerWaalsContact O-N 3.11Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 PolarHBondContact O-N 3.37Å; D87-K89 PolarHBondContact OD1-N 2.85Å; D87-K89 VanDerWaalsContact OD1-N 3.08Å; D87-K89 WeakPolarHBondContact OD2-CD 3.18Å; D87-K89 IonicContact OD2-NZ 3.97Å
88	G	94.2	Very high	95.1	Very high	58 Å²	58	79.7 Å²	79.7	60%	0.598	43%	0.43	S	S	*	.	S	Bend	trans	78.1	4.3	-179.4	0	0	0	0	0	114.9	G85 D86	G85-G88 PolarHBondContact O-N 2.95Å; D86-G88 VanDerWaalsContact C-N 3.33Å
89	K	94.9	Very high	95.3	Very high	139 Å²	139	79 Å²	79	60%	0.604	43%	0.426	S	S	*	.			trans	-101.3	152.3	-178.1	-60.7	-179.2	-168.3	157.6	0	111.8	P84 G85 D87	P84-K89 WeakPolarHBondContact CA-O 3.33Å; G85-K89 PolarHBondContact N-O 2.82Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 PolarHBondContact O-N 3.37Å; D87-K89 PolarHBondContact OD1-N 2.85Å; D87-K89 VanDerWaalsContact OD1-N 3.08Å; D87-K89 WeakPolarHBondContact OD2-CD 3.18Å; D87-K89 IonicContact OD2-NZ 3.97Å
90	M	95.9	Very high	95.3	Very high	100 Å²	100	78.9 Å²	78.9	49%	0.493	42%	0.421	S	S	.	.			trans	-71.7	145.5	165.8	-55.9	-55	-71.5	0	0	109.2	E81 D82	E81-M90 HydrophobicContact CG-CB 4.05Å; E81-M90 HydrophobicContact CG-CE 4.16Å; D82-M90 WeakPolarHBondContact O-CA 3.47Å; D82-M90 WeakPolarHBondContact O-CE 3.29Å
91	Y	95.1	Very high	95.4	Very high	111 Å²	111	77.8 Å²	77.8	44%	0.435	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156.2	177.9	62.7	-88.4	0	0	0	110.5	D82 R93	D82-Y91 HydrophobicContact CB-CE2 4.29Å; D82-Y91 PolarHBondContact N-O 3.45Å; D82-Y91 PolarHBondContact O-N 3.23Å; Y91-R93 HydrophobicContact CD2-CB 4.3Å; Y91-R93 HydrophobicContact CE2-CB 4.04Å; Y91-R93 HydrophobicContact CE2-CG 4.31Å
92	M	96.1	Very high	95.4	Very high	115 Å²	115	74.9 Å²	74.9	57%	0.567	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.8	172.4	-66.2	-66.9	173.8	0	0	109.4	E81	E81-M92 HydrophobicContact CB-CE 3.88Å; E81-M92 HydrophobicContact CB-SD 3.87Å; E81-M92 HydrophobicContact CG-CE 4.23Å
93	R	96.6	Very high	95.5	Very high	34 Å²	34	76.6 Å²	76.6	13%	0.128	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.5	172	60.4	162	-179.6	75.5	9.7	111.5	Q79 V80 D82 Y91 G95 K96 D99	Q79-R93 WeakPolarHBondContact CA-O 3.5Å; Q79-R93 PolarHBondContact OE1-O 2.95Å; V80-R93 PolarHBondContact N-O 3.23Å; V80-R93 PolarHBondContact O-N 3.39Å; D82-R93 HydrophobicContact CB-CG 4.08Å; D82-R93 IonicContact OD2-CZ 3.39Å; D82-R93 VanDerWaalsContact OD2-CZ 3.26Å; D82-R93 IonicContact OD2-NE 3.77Å; D82-R93 PolarHBondContact OD2-NE 3.18Å; D82-R93 IonicContact OD2-NH2 2.84Å; D82-R93 PolarHBondContact OD2-NH2 3.45Å; Y91-R93 HydrophobicContact CD2-CB 4.3Å; Y91-R93 HydrophobicContact CE2-CB 4.04Å; Y91-R93 HydrophobicContact CE2-CG 4.31Å; R93-G95 PolarHBondContact O-N 3.05Å; R93-K96 VanDerWaalsContact NH2-NZ 3.14Å; R93-D99 IonicContact CZ-OD1 2.66Å; R93-D99 IonicContact CZ-OD2 3Å; R93-D99 IonicContact NH1-OD1 3.26Å; R93-D99 IonicContact NH1-OD2 3.74Å; R93-D99 PolarHBondContact NH1-OD2 3.28Å; R93-D99 IonicContact NH2-OD1 3.62Å; R93-D99 PolarHBondContact NH2-OD1 3.46Å; R93-D99 IonicContact NH2-OD2 3.78Å; R93-D99 PolarHBondContact NH2-OD2 3.03Å
94	P	97.7	Very high	95.8	Very high	76 Å²	76	77.3 Å²	77.3	49%	0.494	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	140.6	163.8	-23.8	34.2	0	0	0	111	A76	A76-P94 HydrophobicContact CB-CB 4.23Å
95	G	97.8	Very high	96	Very high	8 Å²	8	75 Å²	75	8%	0.082	40%	0.395	C	S	.	.			trans	-62.4	154.5	175.6	0	0	0	0	0	112.3	A75 I78 R93 D99	A75-G95 CarbonylContact C-O 3.53Å; A75-G95 CarbonylContact O-C 3.43Å; A75-G95 WeakPolarHBondContact O-CA 3.18Å; A75-G95 PolarHBondContact O-N 3.02Å; I78-G95 PolarHBondContact O-N 2.6Å; R93-G95 PolarHBondContact O-N 3.05Å; G95-D99 VanDerWaalsContact CA-OD2 3.3Å; G95-D99 WeakPolarHBondContact CA-OD2 3.46Å
96	K	97.8	Very high	96.2	Very high	90 Å²	90	79.3 Å²	79.3	39%	0.391	42%	0.419	S	S	.	.			trans	-125.1	166.8	177.5	74	-159.5	172.2	-162.7	0	109.6	D82 R93 L98 D99	D82-K96 IonicContact OD2-NZ 2.7Å; R93-K96 VanDerWaalsContact NH2-NZ 3.14Å; K96-L98 HydrophobicContact CG-CB 4.19Å; K96-L98 PolarHBondContact O-N 3.02Å; K96-D99 WeakPolarHBondContact CG-OD2 3.46Å; K96-D99 PolarHBondContact N-OD2 3.1Å; K96-D99 WeakPolarHBondContact O-CB 3.13Å; K96-D99 PolarHBondContact O-N 2.8Å
97	L	98.2	Very high	96.2	Very high	33 Å²	33	74 Å²	74	17%	0.173	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.2	-178.8	-67.4	178.6	0	0	0	114.4	R59 V62 E68 A71 K72 D99	R59-L97 HydrophobicContact CB-CB 4.28Å; R59-L97 VanDerWaalsContact CB-O 3.27Å; R59-L97 WeakPolarHBondContact CB-O 3.03Å; R59-L97 PolarHBondContact N-O 3.23Å; V62-L97 HydrophobicContact CG2-CD1 4.15Å; V62-L97 HydrophobicContact CG2-CD2 3.9Å; E68-L97 HydrophobicContact CG-CD1 4.11Å; A71-L97 HydrophobicContact CB-CD2 3.7Å; K72-L97 HydrophobicContact CG-CD1 3.87Å; K72-L97 HydrophobicContact CG-CD2 3.99Å; K72-L97 HydrophobicContact CG-CG 3.8Å; L97-D99 VanDerWaalsContact C-N 3.32Å
98	L	97.3	Very high	96.4	Very high	115 Å²	115	72.4 Å²	72.4	60%	0.602	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.4	-179.8	-62	177.9	0	0	0	113.7	K96	K96-L98 HydrophobicContact CG-CB 4.19Å; K96-L98 PolarHBondContact O-N 3.02Å
99	D	97.9	Very high	96.5	Very high	20 Å²	20	75 Å²	75	11%	0.107	39%	0.385	C	S	.	.	S	Bend	trans	-75.6	148.3	-179	-58.4	-37.2	0	0	0	110.7	A57 Y58 V80 R93 G95 K96 L97	A57-D99 VanDerWaalsContact CA-O 3.28Å; A57-D99 WeakPolarHBondContact CA-O 3.46Å; A57-D99 VanDerWaalsContact CB-O 3.27Å; A57-D99 WeakPolarHBondContact CB-O 3.2Å; Y58-D99 VanDerWaalsContact CD2-O 3.32Å; Y58-D99 WeakPolarHBondContact CD2-O 3.35Å; Y58-D99 PolarHBondContact N-O 3.31Å; Y58-D99 VanDerWaalsContact N-O 3.16Å; V80-D99 HydrophobicContact CG2-CB 4.3Å; R93-D99 IonicContact CZ-OD1 2.66Å; R93-D99 IonicContact CZ-OD2 3Å; R93-D99 IonicContact NH1-OD1 3.26Å; R93-D99 IonicContact NH1-OD2 3.74Å; R93-D99 PolarHBondContact NH1-OD2 3.28Å; R93-D99 IonicContact NH2-OD1 3.62Å; R93-D99 PolarHBondContact NH2-OD1 3.46Å; R93-D99 IonicContact NH2-OD2 3.78Å; R93-D99 PolarHBondContact NH2-OD2 3.03Å; G95-D99 VanDerWaalsContact CA-OD2 3.3Å; G95-D99 WeakPolarHBondContact CA-OD2 3.46Å; K96-D99 WeakPolarHBondContact CG-OD2 3.46Å; K96-D99 PolarHBondContact N-OD2 3.1Å; K96-D99 WeakPolarHBondContact O-CB 3.13Å; K96-D99 PolarHBondContact O-N 2.8Å; L97-D99 VanDerWaalsContact C-N 3.32Å
100	Y	97.3	Very high	96.6	Very high	119 Å²	119	72.7 Å²	72.7	47%	0.467	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-81.2	160.2	174.3	-70.9	-91.3	0	0	0	111	R54 I56 A57	R54-Y100 WeakPolarHBondContact O-CD1 3.33Å; R54-Y100 WeakPolarHBondContact O-CE1 3.36Å; I56-Y100 WeakPolarHBondContact O-CA 3.26Å; I56-Y100 WeakPolarHBondContact O-CD1 3.47Å; A57-Y100 HydrophobicContact CB-CD1 3.91Å; A57-Y100 HydrophobicContact CB-CE1 4.02Å; A57-Y100 HydrophobicContact CB-CG 4.19Å
101	L	97.1	Very high	96.7	Very high	6 Å²	6	68.2 Å²	68.2	3%	0.031	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-57	140.6	170.8	-66.9	173.3	0	0	0	110.3	Y40 Y43 M53 I56 Y58 F61	Y40-L101 HydrophobicContact CE2-CD2 4.24Å; Y43-L101 HydrophobicContact CE1-CD1 3.76Å; M53-L101 HydrophobicContact CB-CD1 3.97Å; M53-L101 HydrophobicContact CG-CD1 4.06Å; M53-L101 HydrophobicContact SD-CD1 3.64Å; I56-L101 HydrophobicContact CB-CD1 4Å; I56-L101 HydrophobicContact CG2-CD1 3.82Å; I56-L101 HydrophobicContact CG2-CG 4.33Å; I56-L101 PolarHBondContact O-N 3.08Å; Y58-L101 HydrophobicContact CD1-CD2 4.37Å; Y58-L101 HydrophobicContact CE1-CD2 3.7Å; Y58-L101 HydrophobicContact CE2-CD2 4.38Å; F61-L101 HydrophobicContact CE2-CD2 4.17Å; F61-L101 HydrophobicContact CZ-CD1 4.17Å; F61-L101 HydrophobicContact CZ-CD2 3.97Å; F61-L101 HydrophobicContact CZ-CG 4.38Å
102	P	95.5	Very high	96.7	Very high	67 Å²	67	68.3 Å²	68.3	44%	0.435	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-63.6	142.6	-175	27.1	-34.7	0	0	0	110.8	I78	I78-P102 HydrophobicContact CG2-CG 4.26Å
103	N	96.1	Very high	96.8	Very high	80 Å²	80	69.3 Å²	69.3	43%	0.428	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-79.5	135.1	170.5	-70.5	-63	0	0	0	109.3	S52 R54 Y105	S52-N103 VanDerWaalsContact CB-OD1 3.3Å; S52-N103 WeakPolarHBondContact CB-OD1 3.4Å; R54-N103 VanDerWaalsContact CG-OD1 3.32Å; R54-N103 WeakPolarHBondContact CG-OD1 3.41Å; R54-N103 PolarHBondContact NE-OD1 2.97Å; N103-Y105 WeakPolarHBondContact CB-O 3.36Å; N103-Y105 PolarHBondContact O-N 2.79Å
104	P	96.3	Very high	96.7	Very high	41 Å²	41	70.5 Å²	70.5	27%	0.266	38%	0.38	S	S	.	.	S	Bend	trans	-64.2	-25.9	176.6	20	-29.4	0	0	0	113.2	S48 A49 C50	S48-P104 WeakPolarHBondContact O-CB 3.29Å; A49-P104 VanDerWaalsContact O-CB 3.26Å; A49-P104 WeakPolarHBondContact O-CB 3.39Å; C50-P104 WeakPolarHBondContact O-CG 3.22Å
105	Y	96.8	Very high	96.6	Very high	47 Å²	47	68.6 Å²	68.6	18%	0.184	37%	0.366	C	S	.	.	S	Bend	trans	-133.3	146.7	-179.2	-52.9	-71.8	0	0	0	110.4	N103 N107 A111 A114 N115	N103-Y105 WeakPolarHBondContact CB-O 3.36Å; N103-Y105 PolarHBondContact O-N 2.79Å; Y105-N107 VanDerWaalsContact C-N 3.3Å; Y105-N107 PolarHBondContact O-N 3.22Å; Y105-A111 HydrophobicContact CD2-CB 3.34Å; Y105-A111 HydrophobicContact CE2-CB 3.97Å; Y105-A111 HydrophobicContact CG-CB 3.7Å; Y105-A114 HydrophobicContact CD1-CB 4.37Å; Y105-A114 HydrophobicContact CE1-CB 3.51Å; Y105-N115 PolarHBondContact OH-ND2 3Å
106	P	94.2	Very high	96.4	Very high	114 Å²	114	73.6 Å²	73.6	74%	0.74	39%	0.391	S	S	*	.	S	Bend	trans	-69.3	-28.2	179.5	27.4	-35.3	0	0	0	112.9	M110	P106-M110 HydrophobicContact CG-CB 4.24Å; P106-M110 HydrophobicContact CG-CG 4.01Å
107	N	94.9	Very high	96.1	Very high	75 Å²	75	71.3 Å²	71.3	40%	0.401	39%	0.393	S	S	.	.	S	Bend	trans	-156.5	165.9	179	60.8	63.3	0	0	0	111.4	Y105 V109 M110 A111	Y105-N107 VanDerWaalsContact C-N 3.3Å; Y105-N107 PolarHBondContact O-N 3.22Å; N107-V109 VanDerWaalsContact C-N 3.26Å; N107-V109 PolarHBondContact O-N 3.19Å; N107-V109 WeakPolarHBondContact OD1-CB 3.39Å; N107-V109 PolarHBondContact OD1-N 3.19Å; N107-V109 VanDerWaalsContact OD1-N 3.14Å; N107-M110 PolarHBondContact O-N 2.77Å; N107-M110 WeakPolarHBondContact OD1-CG 3.38Å; N107-M110 PolarHBondContact OD1-N 3.11Å; N107-A111 PolarHBondContact O-N 3.49Å; N107-A111 VanDerWaalsContact O-N 3.12Å
108	D	96.5	Very high	95.9	Very high	72 Å²	72	71.2 Å²	71.2	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-26	-175.9	-64.1	1.1	0	0	0	113.2	R54 A111 R112 L119	R54-D108 IonicContact NH2-OD1 3.59Å; R54-D108 PolarHBondContact NH2-OD1 3.22Å; D108-A111 PolarHBondContact O-N 2.96Å; D108-R112 VanDerWaalsContact O-CG 3.29Å; D108-R112 WeakPolarHBondContact O-CG 3.27Å; D108-R112 PolarHBondContact O-N 3.21Å; D108-L119 HydrophobicContact CB-CD1 4.03Å; D108-L119 HydrophobicContact CB-CD2 4.27Å
109	V	97.2	Very high	95.8	Very high	112 Å²	112	68.7 Å²	68.7	68%	0.679	38%	0.384	S	S	*	.	H	α-helix	trans	-68	-45.8	177.4	-180	0	0	0	0	110.2	N107 A111 R112 L113	N107-V109 VanDerWaalsContact C-N 3.26Å; N107-V109 PolarHBondContact O-N 3.19Å; N107-V109 WeakPolarHBondContact OD1-CB 3.39Å; N107-V109 PolarHBondContact OD1-N 3.19Å; N107-V109 VanDerWaalsContact OD1-N 3.14Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-R112 PolarHBondContact O-N 2.93Å; V109-L113 PolarHBondContact O-N 3.35Å
110	M	96.7	Very high	95.7	Very high	92 Å²	92	68.8 Å²	68.8	45%	0.453	39%	0.385	S	S	.	.	H	α-helix	trans	-64.1	-40.1	175.1	-68.8	-63	-74.5	0	0	111.5	P106 N107 R112 L113 A114	P106-M110 HydrophobicContact CG-CB 4.24Å; P106-M110 HydrophobicContact CG-CG 4.01Å; N107-M110 PolarHBondContact O-N 2.77Å; N107-M110 WeakPolarHBondContact OD1-CG 3.38Å; N107-M110 PolarHBondContact OD1-N 3.11Å; M110-R112 VanDerWaalsContact C-N 3.34Å; M110-R112 PolarHBondContact O-N 3.5Å; M110-L113 PolarHBondContact O-N 3.03Å; M110-A114 WeakPolarHBondContact O-CB 3.48Å; M110-A114 PolarHBondContact O-N 2.9Å
111	A	97.2	Very high	95.6	Very high	5 Å²	5	65.6 Å²	65.6	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-59.3	-45.2	175.5	0	0	0	0	0	111.8	Y105 N107 D108 V109 A114 N115 L119	Y105-A111 HydrophobicContact CD2-CB 3.34Å; Y105-A111 HydrophobicContact CE2-CB 3.97Å; Y105-A111 HydrophobicContact CG-CB 3.7Å; N107-A111 PolarHBondContact O-N 3.49Å; N107-A111 VanDerWaalsContact O-N 3.12Å; D108-A111 PolarHBondContact O-N 2.96Å; V109-A111 VanDerWaalsContact C-N 3.34Å; A111-A114 PolarHBondContact O-N 3.43Å; A111-N115 WeakPolarHBondContact O-CB 3.38Å; A111-N115 PolarHBondContact O-N 3.44Å; A111-N115 PolarHBondContact O-ND2 3.46Å; A111-L119 HydrophobicContact CB-CD1 3.64Å
112	R	96.6	Very high	95.7	Very high	114 Å²	114	67.4 Å²	67.4	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-43.5	176.3	-72.4	178	-173	-76.4	0.7	112.6	D108 V109 M110 A114 N115 N116 G117 A118 L119	D108-R112 VanDerWaalsContact O-CG 3.29Å; D108-R112 WeakPolarHBondContact O-CG 3.27Å; D108-R112 PolarHBondContact O-N 3.21Å; V109-R112 PolarHBondContact O-N 2.93Å; M110-R112 VanDerWaalsContact C-N 3.34Å; M110-R112 PolarHBondContact O-N 3.5Å; R112-A114 VanDerWaalsContact C-N 3.28Å; R112-A114 PolarHBondContact O-N 3.24Å; R112-N115 CarbonylContact O-C 3.44Å; R112-N115 PolarHBondContact O-N 2.98Å; R112-N116 PolarHBondContact O-N 3.07Å; R112-G117 WeakPolarHBondContact CG-O 3.47Å; R112-G117 PolarHBondContact NH1-O 3.31Å; R112-G117 WeakPolarHBondContact O-CA 3.45Å; R112-G117 PolarHBondContact O-N 3.44Å; R112-A118 WeakPolarHBondContact CA-O 3.45Å; R112-L119 HydrophobicContact CG-CB 4.08Å
113	L	96.3	Very high	95.8	Very high	135 Å²	135	64.8 Å²	64.8	71%	0.707	37%	0.372	S	S	*	.	H	α-helix	trans	-60.3	-40.9	178.5	-176.5	63	0	0	0	111.5	V109 M110 N115	V109-L113 PolarHBondContact O-N 3.35Å; M110-L113 PolarHBondContact O-N 3.03Å; L113-N115 VanDerWaalsContact C-N 3.31Å; L113-N115 PolarHBondContact O-N 3Å
114	A	95.4	Very high	95.9	Very high	59 Å²	59	61 Å²	61	49%	0.488	35%	0.351	S	S	.	.	H	α-helix	trans	-71.4	-22.3	178.4	0	0	0	0	0	113.9	Y105 M110 A111 R112	Y105-A114 HydrophobicContact CD1-CB 4.37Å; Y105-A114 HydrophobicContact CE1-CB 3.51Å; M110-A114 WeakPolarHBondContact O-CB 3.48Å; M110-A114 PolarHBondContact O-N 2.9Å; A111-A114 PolarHBondContact O-N 3.43Å; R112-A114 VanDerWaalsContact C-N 3.28Å; R112-A114 PolarHBondContact O-N 3.24Å
115	N	95.2	Very high	96	Very high	36 Å²	36	62.1 Å²	62.1	19%	0.193	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	37.8	-172.6	-66.2	-82.6	0	0	0	112.9	Y105 A111 R112 L113 G117 A118	Y105-N115 PolarHBondContact OH-ND2 3Å; A111-N115 WeakPolarHBondContact O-CB 3.38Å; A111-N115 PolarHBondContact O-N 3.44Å; A111-N115 PolarHBondContact O-ND2 3.46Å; R112-N115 CarbonylContact O-C 3.44Å; R112-N115 PolarHBondContact O-N 2.98Å; L113-N115 VanDerWaalsContact C-N 3.31Å; L113-N115 PolarHBondContact O-N 3Å; N115-G117 VanDerWaalsContact C-N 3.26Å; N115-G117 PolarHBondContact O-N 3.48Å; N115-G117 VanDerWaalsContact O-N 3.17Å; N115-A118 HydrophobicContact CB-CB 4.36Å; N115-A118 WeakPolarHBondContact CB-O 3.37Å; N115-A118 VanDerWaalsContact O-CB 3.25Å; N115-A118 WeakPolarHBondContact O-CB 3.3Å; N115-A118 PolarHBondContact O-N 3.39Å
116	N	93.1	Very high	96	Very high	113 Å²	113	60.3 Å²	60.3	60%	0.604	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.2	176	-59.5	-54.8	0	0	0	113.8	R112 A118 Y156	R112-N116 PolarHBondContact O-N 3.07Å; N116-A118 VanDerWaalsContact C-N 3.28Å; N116-A118 PolarHBondContact O-N 2.96Å; N116-Y156 HydrophobicContact CB-CD2 3.84Å; N116-Y156 HydrophobicContact CB-CE2 4.28Å; N116-Y156 HydrophobicContact CB-CG 4.08Å
117	G	92.5	Very high	96.1	Very high	43 Å²	43	55.1 Å²	55.1	44%	0.443	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-13.4	-178.2	0	0	0	0	0	114.9	R112 N115	R112-G117 WeakPolarHBondContact CG-O 3.47Å; R112-G117 PolarHBondContact NH1-O 3.31Å; R112-G117 WeakPolarHBondContact O-CA 3.45Å; R112-G117 PolarHBondContact O-N 3.44Å; N115-G117 VanDerWaalsContact C-N 3.26Å; N115-G117 PolarHBondContact O-N 3.48Å; N115-G117 VanDerWaalsContact O-N 3.17Å
118	A	93.2	Very high	96.2	Very high	31 Å²	31	56.2 Å²	56.2	26%	0.256	32%	0.319	S	S	.	.			trans	-74.5	145.7	176	0	0	0	0	0	111.2	R112 N115 N116 A170	R112-A118 WeakPolarHBondContact CA-O 3.45Å; N115-A118 HydrophobicContact CB-CB 4.36Å; N115-A118 WeakPolarHBondContact CB-O 3.37Å; N115-A118 VanDerWaalsContact O-CB 3.25Å; N115-A118 WeakPolarHBondContact O-CB 3.3Å; N115-A118 PolarHBondContact O-N 3.39Å; N116-A118 VanDerWaalsContact C-N 3.28Å; N116-A118 PolarHBondContact O-N 2.96Å; A118-A170 HydrophobicContact CB-CB 3.61Å
119	L	95.2	Very high	96.2	Very high	61 Å²	61	55.6 Å²	55.6	32%	0.319	32%	0.324	S	S	.	.			trans	-110.8	110.7	173.5	179.6	62.4	0	0	0	108.3	D108 A111 R112	D108-L119 HydrophobicContact CB-CD1 4.03Å; D108-L119 HydrophobicContact CB-CD2 4.27Å; A111-L119 HydrophobicContact CB-CD1 3.64Å; R112-L119 HydrophobicContact CG-CB 4.08Å
120	P	96.4	Very high	95.9	Very high	22 Å²	22	54.6 Å²	54.6	14%	0.143	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-56.9	131.8	173.2	-26	35.5	0	0	0	110.8	C50	C50-P120 HydrophobicContact CB-CB 4.45Å; C50-P120 HydrophobicContact CB-CG 4.18Å; C50-P120 WeakPolarHBondContact O-CB 3.49Å; C50-P120 WeakPolarHBondContact O-CG 2.98Å
121	P	96.1	Very high	95.7	Very high	52 Å²	52	58.9 Å²	58.9	34%	0.338	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-68.5	148.7	177.9	28.1	-36.6	0	0	0	111.7	H51 I126	H51-P121 PolarHBondContact ND1-O 3.5Å; P121-I126 HydrophobicContact CB-CD1 4.19Å; P121-I126 HydrophobicContact CG-CD1 4.34Å
122	D	97.8	Very high	95.5	Very high	44 Å²	44	60.7 Å²	60.7	24%	0.235	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-66.3	129.8	166.7	-175.3	84.4	0	0	0	110.1	S52 M53 R54 S124	S52-D122 WeakPolarHBondContact CB-OD1 3.16Å; S52-D122 CarbonylContact O-C 3.5Å; S52-D122 WeakPolarHBondContact O-CA 3.49Å; S52-D122 WeakPolarHBondContact OG-CB 3.49Å; S52-D122 PolarHBondContact OG-OD1 3.27Å; M53-D122 WeakPolarHBondContact CA-OD1 3.3Å; M53-D122 PolarHBondContact N-OD1 2.99Å; R54-D122 WeakPolarHBondContact CG-OD1 3.37Å; R54-D122 PolarHBondContact N-OD1 2.97Å; D122-S124 WeakPolarHBondContact OD2-CB 3.31Å; D122-S124 PolarHBondContact OD2-N 3.11Å; D122-S124 PolarHBondContact OD2-OG 3.34Å
123	L	98.4	Very high	95.4	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.068	33%	0.331	C	S	.	.	S	Bend	trans	-87.5	-4.6	-173.5	-66.2	177.9	0	0	0	113.8	Y43 C47 H51 S52 M53 L125 I126 L201	Y43-L123 HydrophobicContact CD2-CD1 4.09Å; Y43-L123 HydrophobicContact CE2-CD1 4.07Å; C47-L123 HydrophobicContact CB-CD1 4Å; H51-L123 HydrophobicContact CB-CD1 3.41Å; H51-L123 VanDerWaalsContact CB-CD1 3.41Å; H51-L123 HydrophobicContact CB-CG 3.65Å; S52-L123 PolarHBondContact O-N 3.33Å; M53-L123 HydrophobicContact CE-CB 3.99Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.48Å; L123-I126 HydrophobicContact CB-CG2 4.35Å; L123-I126 HydrophobicContact CD2-CB 4.08Å; L123-I126 HydrophobicContact CD2-CG1 4.11Å; L123-I126 HydrophobicContact CD2-CG2 3.88Å; L123-I126 WeakPolarHBondContact O-CG2 3.29Å; L123-I126 PolarHBondContact O-N 2.98Å; L123-L201 HydrophobicContact CB-CD2 3.77Å; L123-L201 HydrophobicContact CD1-CD2 4.29Å; L123-L201 HydrophobicContact CD2-CD1 4.42Å
124	S	98	Very high	95.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-37	-173.5	-45.3	0	0	0	0	113.2	M53 R54 Q55 D122 A204 A205	M53-S124 VanDerWaalsContact C-OG 3.22Å; M53-S124 WeakPolarHBondContact CA-OG 3.27Å; R54-S124 PolarHBondContact N-OG 3.41Å; Q55-S124 PolarHBondContact N-OG 3.45Å; D122-S124 WeakPolarHBondContact OD2-CB 3.31Å; D122-S124 PolarHBondContact OD2-N 3.11Å; D122-S124 PolarHBondContact OD2-OG 3.34Å; S124-A204 CarbonylContact O-C 3.54Å; S124-A205 VanDerWaalsContact O-CA 3.24Å; S124-A205 WeakPolarHBondContact O-CA 3.47Å; S124-A205 PolarHBondContact O-N 2.77Å
125	L	97.7	Very high	95.6	Very high	65 Å²	65	48.1 Å²	48.1	34%	0.34	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	18.3	-177.7	-59.9	179.5	0	0	0	112.4	L123 T127 L128 A129 A205	L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.48Å; L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 3.46Å; L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 PolarHBondContact O-N 2.9Å; L125-A129 WeakPolarHBondContact O-CB 3.14Å; L125-A129 PolarHBondContact O-N 3.47Å; L125-A205 HydrophobicContact CD2-CB 4.27Å
126	I	97.5	Very high	95.6	Very high	8 Å²	8	47 Å²	47	4%	0.041	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-33.7	-168.2	-167.1	62.4	0	0	0	113.1	P121 L123 L128 A129 R130 I137 L201	P121-I126 HydrophobicContact CB-CD1 4.19Å; P121-I126 HydrophobicContact CG-CD1 4.34Å; L123-I126 HydrophobicContact CB-CG2 4.35Å; L123-I126 HydrophobicContact CD2-CB 4.08Å; L123-I126 HydrophobicContact CD2-CG1 4.11Å; L123-I126 HydrophobicContact CD2-CG2 3.88Å; L123-I126 WeakPolarHBondContact O-CG2 3.29Å; L123-I126 PolarHBondContact O-N 2.98Å; I126-L128 VanDerWaalsContact C-N 3.26Å; I126-L128 PolarHBondContact O-N 3.48Å; I126-A129 PolarHBondContact O-N 3.04Å; I126-R130 HydrophobicContact CD1-CG 4.06Å; I126-R130 HydrophobicContact CG1-CG 4.38Å; I126-R130 PolarHBondContact O-N 3.28Å; I126-I137 HydrophobicContact CG1-CD1 4.02Å; I126-I137 HydrophobicContact CG2-CD1 4.27Å; I126-L201 HydrophobicContact CG2-CB 4.31Å; I126-L201 HydrophobicContact CG2-CD1 3.99Å
127	T	97.2	Very high	95.8	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.1	177.2	55.1	0	0	0	0	112.8	L125 G133 E134 I137 L201 K202 A205	L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 3.46Å; T127-G133 WeakPolarHBondContact O-CA 3.32Å; T127-E134 HydrophobicContact CG2-CB 4.44Å; T127-I137 HydrophobicContact CG2-CG1 4.26Å; T127-L201 HydrophobicContact CG2-CB 3.88Å; T127-L201 PolarHBondContact OG1-O 3.33Å; T127-K202 HydrophobicContact CG2-CB 4.3Å; T127-A205 WeakPolarHBondContact OG1-CB 3.46Å
128	L	96.4	Very high	96.1	Very high	98 Å²	98	42.2 Å²	42.2	51%	0.513	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-22.9	171.4	-61.5	178.5	0	0	0	112.2	L125 I126 A205 E206	L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 PolarHBondContact O-N 2.9Å; I126-L128 VanDerWaalsContact C-N 3.26Å; I126-L128 PolarHBondContact O-N 3.48Å; L128-A205 HydrophobicContact CD1-CB 4.01Å; L128-A205 HydrophobicContact CG-CB 3.93Å; L128-E206 HydrophobicContact CD1-CG 4.12Å; L128-E206 HydrophobicContact CD2-CG 4.26Å
129	A	95.5	Very high	96.3	Very high	59 Å²	59	41.1 Å²	41.1	49%	0.488	23%	0.228	S	C	.	.	S	Bend	trans	-88.4	-1.3	-177.9	0	0	0	0	0	114.2	L125 I126	L125-A129 WeakPolarHBondContact O-CB 3.14Å; L125-A129 PolarHBondContact O-N 3.47Å; I126-A129 PolarHBondContact O-N 3.04Å
130	R	92.5	Very high	96.3	Very high	91 Å²	91	39 Å²	39	34%	0.343	22%	0.217	S	C	.	.	S	Bend	trans	-128.4	136.9	-179.2	-66.2	-66.3	179	-82.1	-1.7	110.8	I126 G132 G133 Y136	I126-R130 HydrophobicContact CD1-CG 4.06Å; I126-R130 HydrophobicContact CG1-CG 4.38Å; I126-R130 PolarHBondContact O-N 3.28Å; R130-G132 PolarHBondContact O-N 3.06Å; R130-G133 PolarHBondContact O-N 3.22Å; R130-Y136 HydrophobicContact CB-CD1 3.7Å; R130-Y136 HydrophobicContact CB-CE1 4.06Å; R130-Y136 HydrophobicContact CB-CG 4.31Å; R130-Y136 HydrophobicContact CG-CD1 3.92Å; R130-Y136 HydrophobicContact CG-CE1 3.77Å
131	H	91.6	Very high	96.4	Very high	183 Å²	183	38.8 Å²	38.8	85%	0.847	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	135.4	169.6	-66.6	-73.4	0	0	0	109.7	G133 Y136	H131-G133 VanDerWaalsContact C-N 3.26Å; H131-G133 PolarHBondContact O-N 3.12Å; H131-Y136 VanDerWaalsContact O-CB 3.3Å; H131-Y136 WeakPolarHBondContact O-CB 3.28Å
132	G	93	Very high	96.4	Very high	42 Å²	42	38.6 Å²	38.6	43%	0.433	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-12.3	-172.4	0	0	0	0	0	114.6	R130 E134 D135 Y136	R130-G132 PolarHBondContact O-N 3.06Å; G132-E134 PolarHBondContact O-N 2.7Å; G132-D135 VanDerWaalsContact O-CB 3.27Å; G132-D135 WeakPolarHBondContact O-CB 3.32Å; G132-D135 PolarHBondContact O-N 3.31Å; G132-Y136 PolarHBondContact O-N 3.22Å
133	G	95.6	Very high	96.3	Very high	11 Å²	11	37 Å²	37	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	50.2	-122.6	175.8	0	0	0	0	0	114.3	T127 R130 H131 D135 Y136 I137	T127-G133 WeakPolarHBondContact O-CA 3.32Å; R130-G133 PolarHBondContact O-N 3.22Å; H131-G133 VanDerWaalsContact C-N 3.26Å; H131-G133 PolarHBondContact O-N 3.12Å; G133-D135 VanDerWaalsContact C-N 3.32Å; G133-D135 PolarHBondContact O-N 3.23Å; G133-Y136 WeakPolarHBondContact O-CB 3.44Å; G133-Y136 PolarHBondContact O-N 3.41Å; G133-I137 WeakPolarHBondContact O-CG1 3.5Å; G133-I137 PolarHBondContact O-N 2.84Å
134	E	97	Very high	96.1	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-29.3	178.2	53.3	179.5	170.8	0	0	113.9	W22 H24 T127 G132 Y136 I137 F138 A198 K202	W22-E134 VanDerWaalsContact CD1-CD 3.42Å; W22-E134 HydrophobicContact CD2-CG 4Å; W22-E134 VanDerWaalsContact CE2-CD 3.45Å; W22-E134 HydrophobicContact CG-CG 4.2Å; W22-E134 HydrophobicContact CH2-CB 4.4Å; W22-E134 HydrophobicContact CZ2-CB 3.93Å; W22-E134 HydrophobicContact CZ2-CG 3.93Å; H24-E134 IonicContact CD2-OE1 2.9Å; H24-E134 IonicContact CE1-OE1 2.95Å; H24-E134 PolarHBondContact CE1-OE1 3.1Å; H24-E134 IonicContact CE1-OE2 3.97Å; H24-E134 PolarHBondContact CE1-OE2 3.47Å; H24-E134 IonicContact NE2-OE1 3.54Å; H24-E134 PolarHBondContact NE2-OE1 2.73Å; H24-E134 IonicContact NE2-OE2 3.53Å; H24-E134 PolarHBondContact NE2-OE2 3.01Å; H24-E134 VanDerWaalsContact NE2-OE2 3.12Å; T127-E134 HydrophobicContact CG2-CB 4.44Å; G132-E134 PolarHBondContact O-N 2.7Å; E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 3.39Å; E134-I137 PolarHBondContact O-N 3.07Å; E134-F138 PolarHBondContact O-N 2.78Å; E134-A198 HydrophobicContact CB-CB 4.26Å; E134-K202 HydrophobicContact CB-CB 4.31Å; E134-K202 WeakPolarHBondContact OE2-CB 3.25Å; E134-K202 WeakPolarHBondContact OE2-CG 3.49Å
135	D	97.5	Very high	95.9	Very high	15 Å²	15	41.4 Å²	41.4	8%	0.08	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-42.1	172.6	-65.6	-38.2	0	0	0	110.3	P17 H19 L20 W22 G132 G133 A139	P17-D135 HydrophobicContact CB-CB 4.16Å; P17-D135 HydrophobicContact CG-CB 4.36Å; H19-D135 WeakPolarHBondContact CA-OD2 3.18Å; H19-D135 IonicContact CE1-OD2 3.6Å; H19-D135 IonicContact CG-OD2 2.76Å; H19-D135 IonicContact ND1-OD2 2.76Å; H19-D135 PolarHBondContact ND1-OD2 3.25Å; L20-D135 VanDerWaalsContact CB-OD1 3.29Å; L20-D135 WeakPolarHBondContact CB-OD1 3.36Å; L20-D135 PolarHBondContact N-OD1 3.28Å; W22-D135 PolarHBondContact NE1-OD1 2.89Å; G132-D135 VanDerWaalsContact O-CB 3.27Å; G132-D135 WeakPolarHBondContact O-CB 3.32Å; G132-D135 PolarHBondContact O-N 3.31Å; G133-D135 VanDerWaalsContact C-N 3.32Å; G133-D135 PolarHBondContact O-N 3.23Å; D135-A139 WeakPolarHBondContact O-CB 3.21Å; D135-A139 PolarHBondContact O-N 3.33Å
136	Y	96.5	Very high	95.7	Very high	13 Å²	13	45.5 Å²	45.5	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-44	176.1	167.1	-96.7	0	0	0	111.8	R130 H131 G132 G133 E134 A139 L140 Y162	R130-Y136 HydrophobicContact CB-CD1 3.7Å; R130-Y136 HydrophobicContact CB-CE1 4.06Å; R130-Y136 HydrophobicContact CB-CG 4.31Å; R130-Y136 HydrophobicContact CG-CD1 3.92Å; R130-Y136 HydrophobicContact CG-CE1 3.77Å; H131-Y136 VanDerWaalsContact O-CB 3.3Å; H131-Y136 WeakPolarHBondContact O-CB 3.28Å; G132-Y136 PolarHBondContact O-N 3.22Å; G133-Y136 WeakPolarHBondContact O-CB 3.44Å; G133-Y136 PolarHBondContact O-N 3.41Å; E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 3.39Å; Y136-A139 PolarHBondContact O-N 2.7Å; Y136-L140 HydrophobicContact CE1-CD2 4.12Å; Y136-L140 VanDerWaalsContact O-CB 3.25Å; Y136-L140 WeakPolarHBondContact O-CB 3.4Å; Y136-L140 PolarHBondContact O-N 2.95Å; Y136-Y162 WeakPolarHBondContact CE2-O 3.38Å
137	I	97.3	Very high	95.4	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-44.9	179.3	-61.2	-59.4	0	0	0	110.9	I126 T127 G133 E134 A139 L140 L141 A198 L201	I126-I137 HydrophobicContact CG1-CD1 4.02Å; I126-I137 HydrophobicContact CG2-CD1 4.27Å; T127-I137 HydrophobicContact CG2-CG1 4.26Å; G133-I137 WeakPolarHBondContact O-CG1 3.5Å; G133-I137 PolarHBondContact O-N 2.84Å; E134-I137 PolarHBondContact O-N 3.07Å; I137-A139 PolarHBondContact O-N 3.22Å; I137-L140 PolarHBondContact O-N 3.46Å; I137-L141 HydrophobicContact CG2-CD1 3.84Å; I137-L141 HydrophobicContact CG2-CG 4.43Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 2.76Å; I137-A198 HydrophobicContact CB-CB 4.28Å; I137-A198 HydrophobicContact CG2-CB 4.1Å; I137-L201 HydrophobicContact CG2-CD1 4.15Å
138	F	97.7	Very high	95	Very high	45 Å²	45	50.5 Å²	50.5	20%	0.197	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-49.2	175.9	179.2	-87.9	0	0	0	111.7	L20 W22 E134 L140 L141 T142 S191 A194 K195	L20-F138 HydrophobicContact CD1-CB 4.04Å; L20-F138 HydrophobicContact CD1-CD1 3.45Å; L20-F138 VanDerWaalsContact CD1-CD1 3.45Å; L20-F138 HydrophobicContact CD1-CD2 4.29Å; L20-F138 HydrophobicContact CD1-CE1 3.93Å; L20-F138 HydrophobicContact CD1-CG 3.65Å; W22-F138 HydrophobicContact CH2-CB 4.15Å; W22-F138 HydrophobicContact CH2-CD2 4.42Å; W22-F138 HydrophobicContact CZ2-CB 4.18Å; E134-F138 PolarHBondContact O-N 2.78Å; F138-L140 PolarHBondContact O-N 2.95Å; F138-L141 PolarHBondContact O-N 2.99Å; F138-T142 HydrophobicContact CE1-CG2 4.3Å; F138-T142 HydrophobicContact CE2-CG2 4.34Å; F138-T142 HydrophobicContact CZ-CG2 4.14Å; F138-T142 PolarHBondContact O-N 3.41Å; F138-T142 VanDerWaalsContact O-N 3.11Å; F138-T142 PolarHBondContact O-OG1 2.76Å; F138-S191 WeakPolarHBondContact CE2-O 3.45Å; F138-A194 HydrophobicContact CD2-CB 3.92Å; F138-A194 HydrophobicContact CE2-CB 4.16Å; F138-K195 HydrophobicContact CD2-CB 4.15Å; F138-K195 HydrophobicContact CE2-CB 4.05Å
139	A	96.8	Very high	94.7	Very high	8 Å²	8	51.1 Å²	51.1	7%	0.066	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-39.5	179.7	0	0	0	0	0	112.2	P17 D135 Y136 I137 T142 G143 Y162	P17-A139 HydrophobicContact CB-CB 3.81Å; D135-A139 WeakPolarHBondContact O-CB 3.21Å; D135-A139 PolarHBondContact O-N 3.33Å; Y136-A139 PolarHBondContact O-N 2.7Å; I137-A139 PolarHBondContact O-N 3.22Å; A139-T142 PolarHBondContact O-N 2.9Å; A139-G143 WeakPolarHBondContact O-CA 3.43Å; A139-G143 PolarHBondContact O-N 3.35Å; A139-Y162 HydrophobicContact CB-CD1 3.81Å; A139-Y162 HydrophobicContact CB-CD2 3.9Å; A139-Y162 HydrophobicContact CB-CE1 3.94Å; A139-Y162 HydrophobicContact CB-CE2 4.02Å; A139-Y162 HydrophobicContact CB-CG 3.8Å; A139-Y162 WeakPolarHBondContact O-CD2 2.96Å
140	L	96.4	Very high	94.3	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-46.7	175.9	-175.7	72.7	0	0	0	111.1	Y136 I137 F138 T142 Y144 N160 F163 I169 M171	Y136-L140 HydrophobicContact CE1-CD2 4.12Å; Y136-L140 VanDerWaalsContact O-CB 3.25Å; Y136-L140 WeakPolarHBondContact O-CB 3.4Å; Y136-L140 PolarHBondContact O-N 2.95Å; I137-L140 PolarHBondContact O-N 3.46Å; F138-L140 PolarHBondContact O-N 2.95Å; L140-T142 VanDerWaalsContact C-N 3.31Å; L140-T142 PolarHBondContact O-N 3.02Å; L140-Y144 WeakPolarHBondContact O-CD2 3.25Å; L140-Y144 VanDerWaalsContact O-CE2 3.32Å; L140-Y144 WeakPolarHBondContact O-CE2 3.17Å; L140-N160 HydrophobicContact CD1-CB 4.38Å; L140-N160 PolarHBondContact O-ND2 2.72Å; L140-F163 HydrophobicContact CD1-CB 4.31Å; L140-F163 HydrophobicContact CD1-CD2 4.41Å; L140-I169 HydrophobicContact CD1-CD1 3.99Å; L140-I169 HydrophobicContact CD2-CD1 4.39Å; L140-M171 HydrophobicContact CD2-CE 4.19Å
141	L	97.3	Very high	94.1	Very high	18 Å²	18	50.9 Å²	50.9	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-73.1	-22.4	-176.4	-68.4	173.1	0	0	0	113.9	I137 F138 M171 L175 Q190 A194 V197	I137-L141 HydrophobicContact CG2-CD1 3.84Å; I137-L141 HydrophobicContact CG2-CG 4.43Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 2.76Å; F138-L141 PolarHBondContact O-N 2.99Å; L141-M171 HydrophobicContact CD2-CE 4.27Å; L141-L175 HydrophobicContact CB-CD1 4.17Å; L141-L175 HydrophobicContact CD1-CD1 4.07Å; L141-L175 HydrophobicContact CD2-CD1 4.43Å; L141-L175 HydrophobicContact CG-CD1 4.46Å; L141-Q190 PolarHBondContact O-NE2 3.08Å; L141-A194 HydrophobicContact CB-CB 3.89Å; L141-A194 HydrophobicContact CD1-CB 4.3Å; L141-V197 HydrophobicContact CD1-CG1 3.41Å; L141-V197 VanDerWaalsContact CD1-CG1 3.41Å
142	T	96.6	Very high	94	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-104.3	-11.4	-179.2	56	0	0	0	0	113.8	F138 A139 L140 A194	F138-T142 HydrophobicContact CE1-CG2 4.3Å; F138-T142 HydrophobicContact CE2-CG2 4.34Å; F138-T142 HydrophobicContact CZ-CG2 4.14Å; F138-T142 PolarHBondContact O-N 3.41Å; F138-T142 VanDerWaalsContact O-N 3.11Å; F138-T142 PolarHBondContact O-OG1 2.76Å; A139-T142 PolarHBondContact O-N 2.9Å; L140-T142 VanDerWaalsContact C-N 3.31Å; L140-T142 PolarHBondContact O-N 3.02Å; T142-A194 HydrophobicContact CG2-CB 3.65Å
143	G	94.9	Very high	93.8	Very high	10 Å²	10	47.9 Å²	47.9	10%	0.103	31%	0.306	C	S	.	.			trans	-97	13.3	-170.9	0	0	0	0	0	116.2	A139 V145 P161	A139-G143 WeakPolarHBondContact O-CA 3.43Å; A139-G143 PolarHBondContact O-N 3.35Å; G143-V145 PolarHBondContact O-N 2.91Å; G143-P161 WeakPolarHBondContact O-CD 3.15Å
144	Y	95.4	Very high	93.5	Very high	24 Å²	24	52.7 Å²	52.7	9%	0.094	33%	0.325	C	S	.	.			trans	-66.5	125.3	176.5	-77.2	-84.6	0	0	0	111	L140 A158 N160 I169 M171 T172 Q173	L140-Y144 WeakPolarHBondContact O-CD2 3.25Å; L140-Y144 VanDerWaalsContact O-CE2 3.32Å; L140-Y144 WeakPolarHBondContact O-CE2 3.17Å; Y144-A158 HydrophobicContact CD1-CB 4.02Å; Y144-A158 HydrophobicContact CE1-CB 3.83Å; Y144-N160 HydrophobicContact CD1-CB 4.46Å; Y144-N160 HydrophobicContact CE1-CB 4.4Å; Y144-I169 HydrophobicContact CE1-CG2 3.93Å; Y144-M171 WeakPolarHBondContact CE1-O 3.35Å; Y144-M171 WeakPolarHBondContact OH-CE 3.22Å; Y144-M171 PolarHBondContact OH-O 3.27Å; Y144-T172 PolarHBondContact OH-O 2.85Å; Y144-Q173 HydrophobicContact CD1-CB 4.18Å; Y144-Q173 HydrophobicContact CD2-CB 3.85Å; Y144-Q173 HydrophobicContact CD2-CG 4.07Å; Y144-Q173 HydrophobicContact CE2-CB 4.39Å; Y144-Q173 HydrophobicContact CG-CB 3.73Å; Y144-Q173 HydrophobicContact CG-CG 4.27Å
145	V	93.2	Very high	93.1	Very high	83 Å²	83	57.9 Å²	57.9	50%	0.503	36%	0.364	S	S	.	.			trans	-145.6	162	178.8	-60.7	0	0	0	0	110	G143 Y159	G143-V145 PolarHBondContact O-N 2.91Å; V145-Y159 HydrophobicContact CG2-CD1 3.64Å; V145-Y159 HydrophobicContact CG2-CE1 3.74Å
146	D	92.6	Very high	92.7	Very high	150 Å²	150	61.8 Å²	61.8	80%	0.802	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-62.3	142.2	173.9	-71.9	-33.8	0	0	0	111.3
147	P	91.2	Very high	92.5	Very high	52 Å²	52	63.7 Å²	63.7	34%	0.338	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.8	141	177.7	25.6	-34	0	0	0	111	F151 I153 Y159	P147-F151 HydrophobicContact CB-CB 4.21Å; P147-F151 HydrophobicContact CB-CD1 4.3Å; P147-I153 HydrophobicContact CB-CG2 4.43Å; P147-I153 HydrophobicContact CG-CG2 4.11Å; P147-Y159 HydrophobicContact CB-CD2 4.25Å; P147-Y159 HydrophobicContact CB-CG 4.05Å
148	P	89.9	Confident	92.3	Very high	66 Å²	66	64 Å²	64	43%	0.429	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-62.6	152.4	173.8	24.4	-29.7	0	0	0	110.8	G150 F151 Y159	P148-G150 PolarHBondContact O-N 2.65Å; P148-F151 HydrophobicContact CG-CB 4.02Å; P148-F151 HydrophobicContact CG-CD2 4.44Å; P148-F151 HydrophobicContact CG-CG 4.44Å; P148-F151 WeakPolarHBondContact O-CB 3.49Å; P148-F151 PolarHBondContact O-N 3.22Å; P148-Y159 HydrophobicContact CG-CE2 4.44Å
149	A	90.4	Very high	92.1	Very high	112 Å²	112	63.7 Å²	63.7	93%	0.926	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	130.5	-177.4	0	0	0	0	0	111.9	F151	A149-F151 VanDerWaalsContact C-N 3.32Å
150	G	87.8	Confident	92	Very high	84 Å²	84	63.3 Å²	63.3	87%	0.866	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-0	-179.2	0	0	0	0	0	115.2	P148 P152	P148-G150 PolarHBondContact O-N 2.65Å; G150-P152 WeakPolarHBondContact O-CD 3.45Å
151	F	88.1	Confident	91.9	Very high	60 Å²	60	63.3 Å²	63.3	26%	0.263	39%	0.387	S	S	.	.			trans	-73.3	120	173.7	-168.8	-86.5	0	0	0	110.6	P147 P148 A149 I153 Y159 G166 A168	P147-F151 HydrophobicContact CB-CB 4.21Å; P147-F151 HydrophobicContact CB-CD1 4.3Å; P148-F151 HydrophobicContact CG-CB 4.02Å; P148-F151 HydrophobicContact CG-CD2 4.44Å; P148-F151 HydrophobicContact CG-CG 4.44Å; P148-F151 WeakPolarHBondContact O-CB 3.49Å; P148-F151 PolarHBondContact O-N 3.22Å; A149-F151 VanDerWaalsContact C-N 3.32Å; F151-I153 HydrophobicContact CD1-CB 4.33Å; F151-I153 PolarHBondContact O-N 3.19Å; F151-Y159 AromaticContact CD1-CD2 3.96Å; F151-Y159 HydrophobicContact CD1-CD2 3.96Å; F151-Y159 HydrophobicContact CD1-CE2 4.3Å; F151-Y159 HydrophobicContact CD2-CE2 4.22Å; F151-Y159 AromaticContact CE1-CD2 3.96Å; F151-Y159 HydrophobicContact CE1-CD2 3.96Å; F151-Y159 HydrophobicContact CE1-CE2 4.28Å; F151-Y159 HydrophobicContact CE2-CE2 4.19Å; F151-Y159 HydrophobicContact CG-CD2 4.37Å; F151-Y159 HydrophobicContact CG-CE2 4.31Å; F151-Y159 HydrophobicContact CZ-CD2 4.36Å; F151-Y159 HydrophobicContact CZ-CE2 4.26Å; F151-G166 WeakPolarHBondContact CZ-O 3.36Å; F151-A168 HydrophobicContact CE1-CB 4.42Å
152	P	88.3	Confident	91.7	Very high	110 Å²	110	64.9 Å²	64.9	71%	0.714	39%	0.392	S	S	*	.			trans	-73.4	117	179.7	29.9	-32.6	0	0	0	109.7	G150	G150-P152 WeakPolarHBondContact O-CD 3.45Å
153	I	88.8	Confident	91.5	Very high	52 Å²	52	64.4 Å²	64.4	27%	0.267	39%	0.386	S	S	.	.			trans	-134.5	138.3	173.4	-166.9	163.3	0	0	0	110	P147 F151 Q157 A158	P147-I153 HydrophobicContact CB-CG2 4.43Å; P147-I153 HydrophobicContact CG-CG2 4.11Å; F151-I153 HydrophobicContact CD1-CB 4.33Å; F151-I153 PolarHBondContact O-N 3.19Å; I153-Q157 HydrophobicContact CD1-CB 3.88Å; I153-Q157 WeakPolarHBondContact CD1-O 3.27Å; I153-Q157 HydrophobicContact CG1-CB 3.54Å; I153-A158 WeakPolarHBondContact CD1-O 3.48Å
154	E	89.4	Confident	91.1	Very high	112 Å²	112	66.4 Å²	66.4	52%	0.523	40%	0.397	S	S	.	.			trans	-74.5	152.8	175	-61.9	-61.9	160.1	0	0	111	Y156 Q157	E154-Y156 HydrophobicContact CB-CD1 3.8Å; E154-Y156 HydrophobicContact CB-CE1 3.43Å; E154-Y156 VanDerWaalsContact CB-CE1 3.43Å; E154-Y156 HydrophobicContact CG-CE1 3.92Å; E154-Y156 PolarHBondContact O-N 2.99Å; E154-Q157 HydrophobicContact CB-CG 4.15Å; E154-Q157 PolarHBondContact O-N 3.27Å
155	S	88.3	Confident	90.3	Very high	127 Å²	127	71.5 Å²	71.5	89%	0.888	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.7	-176.7	58.8	0	0	0	0	115.2
156	Y	89.1	Confident	89.7	Confident	97 Å²	97	68.8 Å²	68.8	38%	0.38	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.8	178.1	66	-90.6	0	0	0	113.5	N116 E154	N116-Y156 HydrophobicContact CB-CD2 3.84Å; N116-Y156 HydrophobicContact CB-CE2 4.28Å; N116-Y156 HydrophobicContact CB-CG 4.08Å; E154-Y156 HydrophobicContact CB-CD1 3.8Å; E154-Y156 HydrophobicContact CB-CE1 3.43Å; E154-Y156 VanDerWaalsContact CB-CE1 3.43Å; E154-Y156 HydrophobicContact CG-CE1 3.92Å; E154-Y156 PolarHBondContact O-N 2.99Å
157	Q	92.1	Very high	89.5	Confident	53 Å²	53	61.8 Å²	61.8	25%	0.248	38%	0.378	C	S	.	.			trans	-104.2	150.6	179.7	-66.9	179.1	-44.9	0	0	110.7	I153 E154 I169	I153-Q157 HydrophobicContact CD1-CB 3.88Å; I153-Q157 WeakPolarHBondContact CD1-O 3.27Å; I153-Q157 HydrophobicContact CG1-CB 3.54Å; E154-Q157 HydrophobicContact CB-CG 4.15Å; E154-Q157 PolarHBondContact O-N 3.27Å; Q157-I169 CarbonylContact C-O 3.58Å; Q157-I169 WeakPolarHBondContact CA-O 3.19Å
158	A	93.7	Very high	89.5	Confident	18 Å²	18	60.2 Å²	60.2	15%	0.149	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153.9	169.9	0	0	0	0	0	110.4	Y144 I153 I169 T172	Y144-A158 HydrophobicContact CD1-CB 4.02Å; Y144-A158 HydrophobicContact CE1-CB 3.83Å; I153-A158 WeakPolarHBondContact CD1-O 3.48Å; A158-I169 HydrophobicContact CB-CG2 4.33Å; A158-I169 PolarHBondContact N-O 3.02Å; A158-I169 VanDerWaalsContact O-CG2 3.28Å; A158-I169 WeakPolarHBondContact O-CG2 3.22Å; A158-I169 PolarHBondContact O-N 3.38Å; A158-T172 HydrophobicContact CB-CG2 4.37Å
159	Y	94.3	Very high	89.7	Confident	38 Å²	38	57.6 Å²	57.6	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.1	175.4	179.5	-95.6	0	0	0	110	V145 P147 P148 F151 P161 S167	V145-Y159 HydrophobicContact CG2-CD1 3.64Å; V145-Y159 HydrophobicContact CG2-CE1 3.74Å; P147-Y159 HydrophobicContact CB-CD2 4.25Å; P147-Y159 HydrophobicContact CB-CG 4.05Å; P148-Y159 HydrophobicContact CG-CE2 4.44Å; F151-Y159 AromaticContact CD1-CD2 3.96Å; F151-Y159 HydrophobicContact CD1-CD2 3.96Å; F151-Y159 HydrophobicContact CD1-CE2 4.3Å; F151-Y159 HydrophobicContact CD2-CE2 4.22Å; F151-Y159 AromaticContact CE1-CD2 3.96Å; F151-Y159 HydrophobicContact CE1-CD2 3.96Å; F151-Y159 HydrophobicContact CE1-CE2 4.28Å; F151-Y159 HydrophobicContact CE2-CE2 4.19Å; F151-Y159 HydrophobicContact CG-CD2 4.37Å; F151-Y159 HydrophobicContact CG-CE2 4.31Å; F151-Y159 HydrophobicContact CZ-CD2 4.36Å; F151-Y159 HydrophobicContact CZ-CE2 4.26Å; Y159-P161 HydrophobicContact CE1-CB 4.21Å; Y159-S167 CarbonylContact C-O 3.16Å; Y159-S167 WeakPolarHBondContact CA-O 3.46Å
160	N	94.9	Very high	89.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.323	C	S	.	.			trans	-144	113.5	173.9	-168.8	-57.7	0	0	0	109.4	L140 Y144 Y162 F163 S167 I169	L140-N160 HydrophobicContact CD1-CB 4.38Å; L140-N160 PolarHBondContact O-ND2 2.72Å; Y144-N160 HydrophobicContact CD1-CB 4.46Å; Y144-N160 HydrophobicContact CE1-CB 4.4Å; N160-Y162 PolarHBondContact O-N 3.01Å; N160-Y162 VanDerWaalsContact O-N 3.1Å; N160-Y162 WeakPolarHBondContact OD1-CB 3.39Å; N160-Y162 PolarHBondContact OD1-N 3.35Å; N160-F163 HydrophobicContact CB-CB 4.39Å; N160-F163 PolarHBondContact O-N 3Å; N160-S167 PolarHBondContact N-O 3.46Å; N160-S167 WeakPolarHBondContact O-CA 3.33Å; N160-S167 VanDerWaalsContact O-CB 3.29Å; N160-S167 WeakPolarHBondContact O-CB 3.36Å; N160-I169 HydrophobicContact CB-CG2 3.89Å
161	P	93.1	Very high	90.2	Very high	16 Å²	16	52.2 Å²	52.2	10%	0.104	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.5	-173.4	29.7	-35.4	0	0	0	113.1	H14 L15 G143 Y159 S167	H14-P161 CarbonylContact C-O 3.45Å; H14-P161 WeakPolarHBondContact CA-O 3.49Å; H14-P161 WeakPolarHBondContact CB-O 3.5Å; L15-P161 HydrophobicContact CD1-CB 3.78Å; L15-P161 HydrophobicContact CD1-CG 4.09Å; L15-P161 HydrophobicContact CG-CB 4.06Å; L15-P161 PolarHBondContact N-O 3.16Å; G143-P161 WeakPolarHBondContact O-CD 3.15Å; Y159-P161 HydrophobicContact CE1-CB 4.21Å; P161-S167 WeakPolarHBondContact CA-OG 3.45Å
162	Y	93.5	Very high	90.5	Very high	51 Å²	51	52.8 Å²	52.8	20%	0.2	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.8	177.4	-62.4	-77.3	0	0	0	112.9	L15 Y136 A139 N160	L15-Y162 HydrophobicContact CB-CD1 3.81Å; L15-Y162 HydrophobicContact CB-CE1 3.69Å; L15-Y162 HydrophobicContact CD1-CE1 4.48Å; L15-Y162 WeakPolarHBondContact O-CD1 3.47Å; Y136-Y162 WeakPolarHBondContact CE2-O 3.38Å; A139-Y162 HydrophobicContact CB-CD1 3.81Å; A139-Y162 HydrophobicContact CB-CD2 3.9Å; A139-Y162 HydrophobicContact CB-CE1 3.94Å; A139-Y162 HydrophobicContact CB-CE2 4.02Å; A139-Y162 HydrophobicContact CB-CG 3.8Å; A139-Y162 WeakPolarHBondContact O-CD2 2.96Å; N160-Y162 PolarHBondContact O-N 3.01Å; N160-Y162 VanDerWaalsContact O-N 3.1Å; N160-Y162 WeakPolarHBondContact OD1-CB 3.39Å; N160-Y162 PolarHBondContact OD1-N 3.35Å
163	F	93.1	Very high	90.8	Very high	38 Å²	38	49.9 Å²	49.9	17%	0.167	28%	0.277	C	S	.	.			trans	-76.9	121.7	-176.4	-172	-110.8	0	0	0	111.8	L140 N160 N165 S167 A168 I169	L140-F163 HydrophobicContact CD1-CB 4.31Å; L140-F163 HydrophobicContact CD1-CD2 4.41Å; N160-F163 HydrophobicContact CB-CB 4.39Å; N160-F163 PolarHBondContact O-N 3Å; F163-N165 VanDerWaalsContact C-N 3.34Å; F163-N165 HydrophobicContact CD1-CB 4.18Å; F163-N165 HydrophobicContact CE1-CB 3.68Å; F163-N165 HydrophobicContact CZ-CB 4.35Å; F163-N165 PolarHBondContact O-N 2.92Å; F163-S167 WeakPolarHBondContact O-CA 3.33Å; F163-S167 PolarHBondContact O-N 2.9Å; F163-A168 VanDerWaalsContact CD1-O 3.25Å; F163-A168 WeakPolarHBondContact CD1-O 3.48Å; F163-A168 WeakPolarHBondContact CE1-O 3.32Å; F163-I169 HydrophobicContact CB-CB 4.43Å; F163-I169 HydrophobicContact CD1-CB 4Å; F163-I169 HydrophobicContact CD2-CB 4.27Å; F163-I169 HydrophobicContact CD2-CD1 3.74Å; F163-I169 HydrophobicContact CD2-CG1 4.13Å; F163-I169 HydrophobicContact CE1-CB 4.27Å; F163-I169 HydrophobicContact CE2-CD1 3.96Å; F163-I169 HydrophobicContact CE2-CG1 4.12Å; F163-I169 HydrophobicContact CG-CB 3.99Å; F163-I169 HydrophobicContact CG-CD1 4.27Å; F163-I169 HydrophobicContact CG-CG1 4.36Å; F163-I169 HydrophobicContact CZ-CG1 4.32Å
164	P	85.6	Confident	91.2	Very high	51 Å²	51	50.5 Å²	50.5	33%	0.331	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.3	-165.5	24.4	-34.7	0	0	0	115.2	H14 G166	H14-P164 PolarHBondContact ND1-O 3.49Å; P164-G166 PolarHBondContact O-N 2.89Å
165	N	78.4	Confident	91.5	Very high	132 Å²	132	45.2 Å²	45.2	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	44.1	-176.2	-63.6	-20.4	0	0	0	112.6	F163	F163-N165 VanDerWaalsContact C-N 3.34Å; F163-N165 HydrophobicContact CD1-CB 4.18Å; F163-N165 HydrophobicContact CE1-CB 3.68Å; F163-N165 HydrophobicContact CZ-CB 4.35Å; F163-N165 PolarHBondContact O-N 2.92Å
166	G	81.3	Confident	91.9	Very high	26 Å²	26	45.4 Å²	45.4	27%	0.268	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	36.9	-179	0	0	0	0	0	113.3	F151 P164 A168	F151-G166 WeakPolarHBondContact CZ-O 3.36Å; P164-G166 PolarHBondContact O-N 2.89Å; G166-A168 PolarHBondContact O-N 3.48Å
167	S	88.5	Confident	92.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.021	24%	0.244	C	C	.	.	S	Bend	trans	60.3	-3.2	171.3	-56.9	0	0	0	0	117.8	F13 Y159 N160 P161 F163	F13-S167 PolarHBondContact O-OG 3.43Å; Y159-S167 CarbonylContact C-O 3.16Å; Y159-S167 WeakPolarHBondContact CA-O 3.46Å; N160-S167 PolarHBondContact N-O 3.46Å; N160-S167 WeakPolarHBondContact O-CA 3.33Å; N160-S167 VanDerWaalsContact O-CB 3.29Å; N160-S167 WeakPolarHBondContact O-CB 3.36Å; P161-S167 WeakPolarHBondContact CA-OG 3.45Å; F163-S167 WeakPolarHBondContact O-CA 3.33Å; F163-S167 PolarHBondContact O-N 2.9Å
168	A	90.9	Very high	92.4	Very high	18 Å²	18	49 Å²	49	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.4	174.8	0	0	0	0	0	110.2	F151 F163 G166	F151-A168 HydrophobicContact CE1-CB 4.42Å; F163-A168 VanDerWaalsContact CD1-O 3.25Å; F163-A168 WeakPolarHBondContact CD1-O 3.48Å; F163-A168 WeakPolarHBondContact CE1-O 3.32Å; G166-A168 PolarHBondContact O-N 3.48Å
169	I	93.7	Very high	92.4	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.062	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.5	-176.4	-173.7	170.4	0	0	0	110.4	L140 Y144 Q157 A158 N160 F163 M171	L140-I169 HydrophobicContact CD1-CD1 3.99Å; L140-I169 HydrophobicContact CD2-CD1 4.39Å; Y144-I169 HydrophobicContact CE1-CG2 3.93Å; Q157-I169 CarbonylContact C-O 3.58Å; Q157-I169 WeakPolarHBondContact CA-O 3.19Å; A158-I169 HydrophobicContact CB-CG2 4.33Å; A158-I169 PolarHBondContact N-O 3.02Å; A158-I169 VanDerWaalsContact O-CG2 3.28Å; A158-I169 WeakPolarHBondContact O-CG2 3.22Å; A158-I169 PolarHBondContact O-N 3.38Å; N160-I169 HydrophobicContact CB-CG2 3.89Å; F163-I169 HydrophobicContact CB-CB 4.43Å; F163-I169 HydrophobicContact CD1-CB 4Å; F163-I169 HydrophobicContact CD2-CB 4.27Å; F163-I169 HydrophobicContact CD2-CD1 3.74Å; F163-I169 HydrophobicContact CD2-CG1 4.13Å; F163-I169 HydrophobicContact CE1-CB 4.27Å; F163-I169 HydrophobicContact CE2-CD1 3.96Å; F163-I169 HydrophobicContact CE2-CG1 4.12Å; F163-I169 HydrophobicContact CG-CB 3.99Å; F163-I169 HydrophobicContact CG-CD1 4.27Å; F163-I169 HydrophobicContact CG-CG1 4.36Å; F163-I169 HydrophobicContact CZ-CG1 4.32Å; I169-M171 VanDerWaalsContact C-N 3.28Å; I169-M171 HydrophobicContact CD1-CB 4.05Å; I169-M171 HydrophobicContact CD1-CE 4.25Å; I169-M171 HydrophobicContact CG1-CB 4.01Å; I169-M171 WeakPolarHBondContact CG2-O 3.42Å; I169-M171 PolarHBondContact O-N 3.48Å
170	A	93.8	Very high	92.4	Very high	41 Å²	41	50.6 Å²	50.6	34%	0.339	27%	0.271	S	S	.	.	S	Bend	trans	-75.6	-16.6	177.9	0	0	0	0	0	113.6	A118	A118-A170 HydrophobicContact CB-CB 3.61Å
171	M	95.5	Very high	92.5	Very high	42 Å²	42	59 Å²	59	21%	0.207	31%	0.31	C	S	.	.	S	Bend	trans	-84.5	118.2	173.4	-175.4	-180	81.4	0	0	109	L140 L141 Y144 I169 Q174	L140-M171 HydrophobicContact CD2-CE 4.19Å; L141-M171 HydrophobicContact CD2-CE 4.27Å; Y144-M171 WeakPolarHBondContact CE1-O 3.35Å; Y144-M171 WeakPolarHBondContact OH-CE 3.22Å; Y144-M171 PolarHBondContact OH-O 3.27Å; I169-M171 VanDerWaalsContact C-N 3.28Å; I169-M171 HydrophobicContact CD1-CB 4.05Å; I169-M171 HydrophobicContact CD1-CE 4.25Å; I169-M171 HydrophobicContact CG1-CB 4.01Å; I169-M171 WeakPolarHBondContact CG2-O 3.42Å; I169-M171 PolarHBondContact O-N 3.48Å; M171-Q174 HydrophobicContact CG-CG 3.98Å; M171-Q174 HydrophobicContact SD-CG 4.21Å
172	T	93.5	Very high	92.7	Very high	72 Å²	72	58.8 Å²	58.8	44%	0.442	31%	0.308	S	S	.	.			trans	-74.7	175.2	172.6	56.4	0	0	0	0	111.2	Y144 A158 Q174	Y144-T172 PolarHBondContact OH-O 2.85Å; A158-T172 HydrophobicContact CB-CG2 4.37Å; T172-Q174 WeakPolarHBondContact O-CG 3.43Å; T172-Q174 PolarHBondContact O-N 2.86Å; T172-Q174 PolarHBondContact O-NE2 2.99Å; T172-Q174 PolarHBondContact OG1-NE2 3.29Å; T172-Q174 VanDerWaalsContact OG1-NE2 3.12Å
173	Q	95.9	Very high	92.7	Very high	49 Å²	49	63.8 Å²	63.8	23%	0.229	33%	0.333	C	S	.	.			trans	-61	121.7	174.1	-178.3	171.2	-14.8	0	0	111	Y144 L175 Y176	Y144-Q173 HydrophobicContact CD1-CB 4.18Å; Y144-Q173 HydrophobicContact CD2-CB 3.85Å; Y144-Q173 HydrophobicContact CD2-CG 4.07Å; Y144-Q173 HydrophobicContact CE2-CB 4.39Å; Y144-Q173 HydrophobicContact CG-CB 3.73Å; Y144-Q173 HydrophobicContact CG-CG 4.27Å; Q173-L175 PolarHBondContact NE2-O 2.79Å; Q173-Y176 HydrophobicContact CG-CE1 4.17Å; Q173-Y176 HydrophobicContact CG-CE2 4.45Å; Q173-Y176 WeakPolarHBondContact O-CE2 3.44Å; Q173-Y176 PolarHBondContact O-OH 2.92Å
174	Q	95.7	Very high	92.8	Very high	64 Å²	64	66 Å²	66	30%	0.299	35%	0.347	S	S	.	.			trans	-100	-21.2	-176	-60.1	-53.1	-54.6	0	0	113.7	V46 M171 T172	V46-Q174 HydrophobicContact CG1-CB 3.92Å; M171-Q174 HydrophobicContact CG-CG 3.98Å; M171-Q174 HydrophobicContact SD-CG 4.21Å; T172-Q174 WeakPolarHBondContact O-CG 3.43Å; T172-Q174 PolarHBondContact O-N 2.86Å; T172-Q174 PolarHBondContact O-NE2 2.99Å; T172-Q174 PolarHBondContact OG1-NE2 3.29Å; T172-Q174 VanDerWaalsContact OG1-NE2 3.12Å
175	L	97.4	Very high	93.2	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	36%	0.362	C	S	.	.			trans	-113.9	127.8	-173.6	-58.4	-177.2	0	0	0	110.8	V42 V46 L141 Q173 M179 Q190 M193 A194	V42-L175 HydrophobicContact CG1-CD2 3.86Å; V46-L175 HydrophobicContact CG1-CD2 4.18Å; V46-L175 HydrophobicContact CG2-CD2 4.38Å; L141-L175 HydrophobicContact CB-CD1 4.17Å; L141-L175 HydrophobicContact CD1-CD1 4.07Å; L141-L175 HydrophobicContact CD2-CD1 4.43Å; L141-L175 HydrophobicContact CG-CD1 4.46Å; Q173-L175 PolarHBondContact NE2-O 2.79Å; L175-M179 HydrophobicContact CB-SD 4.48Å; L175-M179 HydrophobicContact CD2-SD 3.84Å; L175-Q190 HydrophobicContact CB-CG 3.93Å; L175-Q190 WeakPolarHBondContact O-CG 3.29Å; L175-M193 HydrophobicContact CB-CE 4.13Å; L175-M193 HydrophobicContact CD1-CB 3.97Å; L175-M193 HydrophobicContact CD2-CB 4.37Å; L175-M193 HydrophobicContact CD2-CE 4.39Å; L175-M193 HydrophobicContact CD2-SD 4.27Å; L175-A194 HydrophobicContact CD1-CB 4.09Å
176	Y	96.8	Very high	94.1	Very high	130 Å²	130	62.1 Å²	62.1	51%	0.51	34%	0.339	S	S	.	.			trans	-131.8	149.8	175.8	-60.1	-86.5	0	0	0	109.4	Q173 D178 M179 M193	Q173-Y176 HydrophobicContact CG-CE1 4.17Å; Q173-Y176 HydrophobicContact CG-CE2 4.45Å; Q173-Y176 WeakPolarHBondContact O-CE2 3.44Å; Q173-Y176 PolarHBondContact O-OH 2.92Å; Y176-D178 PolarHBondContact O-N 3.31Å; Y176-M179 WeakPolarHBondContact O-CB 3.37Å; Y176-M179 WeakPolarHBondContact O-CG 3.34Å; Y176-M179 PolarHBondContact O-N 3.29Å; Y176-M193 WeakPolarHBondContact O-CE 3.23Å
177	D	96.6	Very high	94.9	Very high	101 Å²	101	65.3 Å²	65.3	54%	0.54	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	136.7	177.5	-67.9	-23.6	0	0	0	111.3	M179 T189 Q190	D177-M179 PolarHBondContact O-N 3.44Å; D177-M179 VanDerWaalsContact O-N 3.16Å; D177-T189 VanDerWaalsContact OD1-CA 3.27Å; D177-T189 WeakPolarHBondContact OD1-CA 3.38Å; D177-Q190 PolarHBondContact OD1-N 2.93Å
178	D	94.1	Very high	95.3	Very high	124 Å²	124	65.3 Å²	65.3	66%	0.663	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	23.3	175	-53	-44.3	0	0	0	114.9	Y176 L180 A188	Y176-D178 PolarHBondContact O-N 3.31Å; D178-L180 PolarHBondContact O-N 3.25Å; D178-A188 PolarHBondContact N-O 3.23Å
179	M	93.8	Very high	95.6	Very high	79 Å²	79	66.7 Å²	66.7	39%	0.389	36%	0.362	S	S	.	.	S	Bend	trans	-70.7	-16.2	177.3	72.2	177.3	-72.2	0	0	114.3	V46 L175 Y176 D177 M193	V46-M179 HydrophobicContact CB-CE 4.41Å; V46-M179 HydrophobicContact CG1-CE 4.14Å; V46-M179 HydrophobicContact CG2-CE 3.36Å; V46-M179 HydrophobicContact CG2-SD 4.29Å; L175-M179 HydrophobicContact CB-SD 4.48Å; L175-M179 HydrophobicContact CD2-SD 3.84Å; Y176-M179 WeakPolarHBondContact O-CB 3.37Å; Y176-M179 WeakPolarHBondContact O-CG 3.34Å; Y176-M179 PolarHBondContact O-N 3.29Å; D177-M179 PolarHBondContact O-N 3.44Å; D177-M179 VanDerWaalsContact O-N 3.16Å; M179-M193 HydrophobicContact CG-CE 3.59Å; M179-M193 HydrophobicContact CG-SD 3.58Å; M179-M193 VanDerWaalsContact CG-SD 3.58Å; M179-M193 HydrophobicContact SD-CE 3.76Å; M179-M193 HydrophobicContact SD-SD 3.88Å
180	L	95.3	Very high	95.8	Very high	12 Å²	12	68.1 Å²	68.1	6%	0.063	37%	0.368	C	S	.	.	S	Bend	trans	-145.3	162.6	175.5	63.5	81.4	0	0	0	109.7	V42 D178 Y182 A188 M193	V42-L180 HydrophobicContact CG2-CD2 4.04Å; D178-L180 PolarHBondContact O-N 3.25Å; L180-Y182 HydrophobicContact CD1-CD1 3.69Å; L180-Y182 HydrophobicContact CD1-CD2 4.33Å; L180-Y182 HydrophobicContact CD1-CE1 3.57Å; L180-Y182 HydrophobicContact CD1-CE2 4.27Å; L180-Y182 HydrophobicContact CD1-CG 4.08Å; L180-A188 HydrophobicContact CD1-CB 3.9Å; L180-A188 HydrophobicContact CG-CB 4.39Å; L180-A188 WeakPolarHBondContact O-CB 3.45Å; L180-M193 HydrophobicContact CD1-SD 4.36Å; L180-M193 HydrophobicContact CD2-SD 3.76Å; L180-M193 HydrophobicContact CG-SD 3.75Å
181	E	96.7	Very high	95.9	Very high	175 Å²	175	69.1 Å²	69.1	82%	0.818	37%	0.373	S	S	*	.			trans	-113.3	122.8	175.8	-66.3	-179.1	177.8	0	0	109.4	Q41	Q41-E181 PolarHBondContact NE2-O 3.34Å
182	Y	96.9	Very high	96	Very high	13 Å²	13	69 Å²	69	5%	0.051	37%	0.372	C	S	.	.			trans	-75.6	139	175.2	-71.8	-54.4	0	0	0	111.3	R38 V42 L180 D184 G185 T186 A188 Q192 M193 D196	R38-Y182 HydrophobicContact CB-CD1 3.76Å; R38-Y182 HydrophobicContact CB-CE1 3.42Å; R38-Y182 VanDerWaalsContact CB-CE1 3.42Å; R38-Y182 HydrophobicContact CB-CG 4.5Å; R38-Y182 HydrophobicContact CG-CD1 3.53Å; R38-Y182 HydrophobicContact CG-CD2 4.46Å; R38-Y182 HydrophobicContact CG-CE1 3.76Å; R38-Y182 HydrophobicContact CG-CG 3.92Å; V42-Y182 HydrophobicContact CG2-CE1 4.09Å; V42-Y182 WeakPolarHBondContact CG2-OH 3.09Å; L180-Y182 HydrophobicContact CD1-CD1 3.69Å; L180-Y182 HydrophobicContact CD1-CD2 4.33Å; L180-Y182 HydrophobicContact CD1-CE1 3.57Å; L180-Y182 HydrophobicContact CD1-CE2 4.27Å; L180-Y182 HydrophobicContact CD1-CG 4.08Å; Y182-D184 PolarHBondContact O-N 3.17Å; Y182-G185 PolarHBondContact O-N 2.82Å; Y182-G185 VanDerWaalsContact O-N 3.08Å; Y182-T186 HydrophobicContact CD2-CG2 4.25Å; Y182-T186 WeakPolarHBondContact CD2-O 3.33Å; Y182-A188 HydrophobicContact CD2-CB 4Å; Y182-A188 HydrophobicContact CE2-CB 3.98Å; Y182-Q192 HydrophobicContact CE2-CG 4.22Å; Y182-M193 HydrophobicContact CE2-CG 4.32Å; Y182-M193 WeakPolarHBondContact OH-CA 3.48Å; Y182-M193 WeakPolarHBondContact OH-CG 3.39Å; Y182-D196 PolarHBondContact OH-OD2 3.12Å
183	E	92.5	Very high	96.3	Very high	156 Å²	156	65.6 Å²	65.6	73%	0.729	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.1	179.5	-62.5	179.6	168.8	0	0	113.4	R37 G185	R37-E183 IonicContact NE-OE2 3.45Å; R37-E183 IonicContact NH2-OE2 2.66Å; E183-G185 VanDerWaalsContact C-N 3.33Å
184	D	94.9	Very high	96.4	Very high	85 Å²	85	63.3 Å²	63.3	46%	0.455	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.1	-179.1	69.9	2.9	0	0	0	113.8	R38 Y182 T186	R38-D184 WeakPolarHBondContact CD-OD2 3.42Å; R38-D184 IonicContact CZ-OD2 3.65Å; R38-D184 IonicContact NH1-OD2 2.91Å; R38-D184 PolarHBondContact NH1-OD2 3.21Å; Y182-D184 PolarHBondContact O-N 3.17Å; D184-T186 VanDerWaalsContact C-N 3.29Å; D184-T186 VanDerWaalsContact CG-OG1 3.22Å; D184-T186 PolarHBondContact O-N 3.25Å; D184-T186 WeakPolarHBondContact OD1-CB 3.24Å; D184-T186 PolarHBondContact OD1-N 3.16Å; D184-T186 PolarHBondContact OD1-OG1 3.41Å; D184-T186 PolarHBondContact OD2-OG1 3.21Å
185	G	95.1	Very high	96.5	Very high	63 Å²	63	64 Å²	64	65%	0.649	34%	0.342	S	S	*	.			trans	76.7	8.5	-179.2	0	0	0	0	0	114.9	Y182 E183	Y182-G185 PolarHBondContact O-N 2.82Å; Y182-G185 VanDerWaalsContact O-N 3.08Å; E183-G185 VanDerWaalsContact C-N 3.33Å
186	T	97.2	Very high	96.5	Very high	38 Å²	38	63.9 Å²	63.9	23%	0.233	34%	0.342	C	S	.	.			trans	-59.8	135.2	171.3	-58.8	0	0	0	0	109.7	Y182 D184 A188 Q192	Y182-T186 HydrophobicContact CD2-CG2 4.25Å; Y182-T186 WeakPolarHBondContact CD2-O 3.33Å; D184-T186 VanDerWaalsContact C-N 3.29Å; D184-T186 VanDerWaalsContact CG-OG1 3.22Å; D184-T186 PolarHBondContact O-N 3.25Å; D184-T186 WeakPolarHBondContact OD1-CB 3.24Å; D184-T186 PolarHBondContact OD1-N 3.16Å; D184-T186 PolarHBondContact OD1-OG1 3.41Å; D184-T186 PolarHBondContact OD2-OG1 3.21Å; T186-A188 PolarHBondContact O-N 3.37Å; T186-Q192 HydrophobicContact CG2-CG 3.81Å
187	P	97.2	Very high	96.6	Very high	92 Å²	92	57.8 Å²	57.8	60%	0.597	32%	0.318	S	S	*	.			trans	-63.5	126	174.7	-24	34.5	0	0	0	112.1	T189 Q192	P187-T189 PolarHBondContact O-N 2.7Å; P187-Q192 WeakPolarHBondContact O-CG 3Å
188	A	97	Very high	96.6	Very high	4 Å²	4	53 Å²	53	3%	0.033	29%	0.292	C	S	.	.			trans	-86	57.3	-177.1	0	0	0	0	0	112.3	D178 L180 Y182 T186 M193	D178-A188 PolarHBondContact N-O 3.23Å; L180-A188 HydrophobicContact CD1-CB 3.9Å; L180-A188 HydrophobicContact CG-CB 4.39Å; L180-A188 WeakPolarHBondContact O-CB 3.45Å; Y182-A188 HydrophobicContact CD2-CB 4Å; Y182-A188 HydrophobicContact CE2-CB 3.98Å; T186-A188 PolarHBondContact O-N 3.37Å; A188-M193 HydrophobicContact CB-CG 4.37Å; A188-M193 HydrophobicContact CB-SD 4.48Å
189	T	97.9	Very high	96.8	Very high	47 Å²	47	47.1 Å²	47.1	29%	0.288	26%	0.261	S	S	.	.			trans	-67.7	155.2	170.7	68.8	0	0	0	0	110.7	D177 P187 S191 Q192 M193	D177-T189 VanDerWaalsContact OD1-CA 3.27Å; D177-T189 WeakPolarHBondContact OD1-CA 3.38Å; P187-T189 PolarHBondContact O-N 2.7Å; T189-S191 PolarHBondContact O-N 3.19Å; T189-S191 PolarHBondContact OG1-OG 2.78Å; T189-Q192 PolarHBondContact O-N 3.22Å; T189-Q192 WeakPolarHBondContact OG1-CB 3.44Å; T189-Q192 PolarHBondContact OG1-N 3.47Å; T189-M193 PolarHBondContact O-N 3.37Å
190	Q	97.2	Very high	97	Very high	41 Å²	41	43.3 Å²	43.3	19%	0.192	24%	0.242	C	C	.	.	H	α-helix	trans	-49.7	-45.9	175.1	-177.9	-175.9	0.5	0	0	111.4	L141 L175 D177 A194	L141-Q190 PolarHBondContact O-NE2 3.08Å; L175-Q190 HydrophobicContact CB-CG 3.93Å; L175-Q190 WeakPolarHBondContact O-CG 3.29Å; D177-Q190 PolarHBondContact OD1-N 2.93Å; Q190-A194 VanDerWaalsContact O-CB 3.27Å; Q190-A194 WeakPolarHBondContact O-CB 3.31Å; Q190-A194 PolarHBondContact O-N 3.05Å
191	S	96.9	Very high	97.2	Very high	63 Å²	63	43 Å²	43	44%	0.441	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-39.1	-179.8	71.9	0	0	0	0	112.5	F138 T189 A194 K195	F138-S191 WeakPolarHBondContact CE2-O 3.45Å; T189-S191 PolarHBondContact O-N 3.19Å; T189-S191 PolarHBondContact OG1-OG 2.78Å; S191-A194 PolarHBondContact O-N 3.33Å; S191-K195 WeakPolarHBondContact O-CB 3.32Å; S191-K195 PolarHBondContact O-N 3.17Å
192	Q	97.7	Very high	97.3	Very high	40 Å²	40	36.4 Å²	36.4	19%	0.187	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-45.3	178.3	-175.9	56.9	45.8	0	0	111	Y182 T186 P187 T189 A194 K195 D196	Y182-Q192 HydrophobicContact CE2-CG 4.22Å; T186-Q192 HydrophobicContact CG2-CG 3.81Å; P187-Q192 WeakPolarHBondContact O-CG 3Å; T189-Q192 PolarHBondContact O-N 3.22Å; T189-Q192 WeakPolarHBondContact OG1-CB 3.44Å; T189-Q192 PolarHBondContact OG1-N 3.47Å; Q192-A194 PolarHBondContact O-N 3.19Å; Q192-K195 WeakPolarHBondContact O-CB 3.41Å; Q192-K195 PolarHBondContact O-N 2.79Å; Q192-D196 PolarHBondContact NE2-OD1 3.07Å; Q192-D196 VanDerWaalsContact NE2-OD1 3.11Å; Q192-D196 PolarHBondContact NE2-OD2 3.47Å; Q192-D196 PolarHBondContact O-N 2.93Å
193	M	98.5	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-43	175.2	-67.5	-172.2	-74.7	0	0	112.5	V42 L175 Y176 M179 L180 Y182 A188 T189 K195 D196 V197	V42-M193 HydrophobicContact CG1-CB 4.45Å; V42-M193 HydrophobicContact CG2-CB 3.92Å; V42-M193 HydrophobicContact CG2-CG 4.01Å; L175-M193 HydrophobicContact CB-CE 4.13Å; L175-M193 HydrophobicContact CD1-CB 3.97Å; L175-M193 HydrophobicContact CD2-CB 4.37Å; L175-M193 HydrophobicContact CD2-CE 4.39Å; L175-M193 HydrophobicContact CD2-SD 4.27Å; Y176-M193 WeakPolarHBondContact O-CE 3.23Å; M179-M193 HydrophobicContact CG-CE 3.59Å; M179-M193 HydrophobicContact CG-SD 3.58Å; M179-M193 VanDerWaalsContact CG-SD 3.58Å; M179-M193 HydrophobicContact SD-CE 3.76Å; M179-M193 HydrophobicContact SD-SD 3.88Å; L180-M193 HydrophobicContact CD1-SD 4.36Å; L180-M193 HydrophobicContact CD2-SD 3.76Å; L180-M193 HydrophobicContact CG-SD 3.75Å; Y182-M193 HydrophobicContact CE2-CG 4.32Å; Y182-M193 WeakPolarHBondContact OH-CA 3.48Å; Y182-M193 WeakPolarHBondContact OH-CG 3.39Å; A188-M193 HydrophobicContact CB-CG 4.37Å; A188-M193 HydrophobicContact CB-SD 4.48Å; T189-M193 PolarHBondContact O-N 3.37Å; M193-K195 VanDerWaalsContact C-N 3.3Å; M193-K195 PolarHBondContact O-N 3.25Å; M193-D196 PolarHBondContact O-N 3.45Å; M193-V197 WeakPolarHBondContact O-CB 3.27Å; M193-V197 WeakPolarHBondContact O-CG1 3.29Å; M193-V197 PolarHBondContact O-N 3.14Å
194	A	98.1	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-40.2	176.2	0	0	0	0	0	111.8	F138 L141 T142 L175 Q190 S191 Q192 V197 A198	F138-A194 HydrophobicContact CD2-CB 3.92Å; F138-A194 HydrophobicContact CE2-CB 4.16Å; L141-A194 HydrophobicContact CB-CB 3.89Å; L141-A194 HydrophobicContact CD1-CB 4.3Å; T142-A194 HydrophobicContact CG2-CB 3.65Å; L175-A194 HydrophobicContact CD1-CB 4.09Å; Q190-A194 VanDerWaalsContact O-CB 3.27Å; Q190-A194 WeakPolarHBondContact O-CB 3.31Å; Q190-A194 PolarHBondContact O-N 3.05Å; S191-A194 PolarHBondContact O-N 3.33Å; Q192-A194 PolarHBondContact O-N 3.19Å; A194-V197 WeakPolarHBondContact O-CG1 3.48Å; A194-A198 WeakPolarHBondContact O-CB 3.16Å; A194-A198 PolarHBondContact O-N 3.14Å
195	K	97.7	Very high	97.7	Very high	79 Å²	79	25.6 Å²	25.6	34%	0.343	16%	0.159	S	C	.	.	H	α-helix	trans	-65.6	-48.1	175.8	-177.7	-174.3	175.4	-172.4	0	111.7	W22 F138 S191 Q192 M193 A198 C199	W22-K195 HydrophobicContact CH2-CG 4.38Å; W22-K195 HydrophobicContact CZ3-CG 3.77Å; F138-K195 HydrophobicContact CD2-CB 4.15Å; F138-K195 HydrophobicContact CE2-CB 4.05Å; S191-K195 WeakPolarHBondContact O-CB 3.32Å; S191-K195 PolarHBondContact O-N 3.17Å; Q192-K195 WeakPolarHBondContact O-CB 3.41Å; Q192-K195 PolarHBondContact O-N 2.79Å; M193-K195 VanDerWaalsContact C-N 3.3Å; M193-K195 PolarHBondContact O-N 3.25Å; K195-A198 PolarHBondContact O-N 3.31Å; K195-C199 WeakPolarHBondContact O-CB 3.41Å; K195-C199 PolarHBondContact O-N 2.85Å
196	D	98.3	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.7	-44.8	-177.3	-72.7	-32.7	0	0	0	111.2	S35 R38 G39 Y182 Q192 M193 A198 C199 F200	S35-D196 WeakPolarHBondContact CA-OD1 3.16Å; S35-D196 WeakPolarHBondContact CB-OD1 3.41Å; S35-D196 PolarHBondContact OG-OD1 2.92Å; R38-D196 HydrophobicContact CB-CB 3.94Å; R38-D196 WeakPolarHBondContact CB-OD2 3.42Å; R38-D196 IonicContact CZ-OD1 3.76Å; R38-D196 IonicContact CZ-OD2 2.77Å; R38-D196 IonicContact NE-OD1 3.54Å; R38-D196 IonicContact NE-OD2 3.42Å; R38-D196 PolarHBondContact NE-OD2 3.37Å; R38-D196 IonicContact NH2-OD1 3.62Å; R38-D196 PolarHBondContact NH2-OD1 3.48Å; R38-D196 IonicContact NH2-OD2 3.15Å; G39-D196 VanDerWaalsContact CA-O 3.22Å; G39-D196 WeakPolarHBondContact CA-O 3.46Å; Y182-D196 PolarHBondContact OH-OD2 3.12Å; Q192-D196 PolarHBondContact NE2-OD1 3.07Å; Q192-D196 VanDerWaalsContact NE2-OD1 3.11Å; Q192-D196 PolarHBondContact NE2-OD2 3.47Å; Q192-D196 PolarHBondContact O-N 2.93Å; M193-D196 PolarHBondContact O-N 3.45Å; D196-A198 PolarHBondContact O-N 3.16Å; D196-C199 WeakPolarHBondContact O-CB 3.34Å; D196-C199 PolarHBondContact O-N 3.02Å; D196-F200 PolarHBondContact O-N 3.08Å
197	V	98.3	Very high	97.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-38.8	176.9	76.8	0	0	0	0	111.7	V42 L141 M193 A194 C199 F200 L201	V42-V197 HydrophobicContact CB-CB 4.04Å; V42-V197 HydrophobicContact CB-CG2 4.29Å; V42-V197 HydrophobicContact CG1-CB 3.85Å; V42-V197 HydrophobicContact CG1-CG1 4.35Å; V42-V197 HydrophobicContact CG1-CG2 4.08Å; L141-V197 HydrophobicContact CD1-CG1 3.41Å; L141-V197 VanDerWaalsContact CD1-CG1 3.41Å; M193-V197 WeakPolarHBondContact O-CB 3.27Å; M193-V197 WeakPolarHBondContact O-CG1 3.29Å; M193-V197 PolarHBondContact O-N 3.14Å; A194-V197 WeakPolarHBondContact O-CG1 3.48Å; V197-C199 VanDerWaalsContact C-N 3.34Å; V197-C199 PolarHBondContact O-N 3.35Å; V197-F200 PolarHBondContact O-N 2.93Å; V197-L201 HydrophobicContact CG2-CD1 4.36Å; V197-L201 HydrophobicContact CG2-CG 4.36Å; V197-L201 WeakPolarHBondContact O-CB 3.1Å; V197-L201 VanDerWaalsContact O-CG 3.22Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 2.81Å
198	A	98.2	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-42.9	174.6	0	0	0	0	0	111.8	W22 E134 I137 A194 K195 D196 L201 K202	W22-A198 HydrophobicContact CH2-CB 3.65Å; W22-A198 HydrophobicContact CZ2-CB 4.44Å; W22-A198 HydrophobicContact CZ3-CB 4.19Å; E134-A198 HydrophobicContact CB-CB 4.26Å; I137-A198 HydrophobicContact CB-CB 4.28Å; I137-A198 HydrophobicContact CG2-CB 4.1Å; A194-A198 WeakPolarHBondContact O-CB 3.16Å; A194-A198 PolarHBondContact O-N 3.14Å; K195-A198 PolarHBondContact O-N 3.31Å; D196-A198 PolarHBondContact O-N 3.16Å; A198-L201 PolarHBondContact O-N 2.91Å; A198-K202 WeakPolarHBondContact O-CB 3.41Å; A198-K202 PolarHBondContact O-N 3.2Å
199	C	97.8	Very high	97.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-44.6	174.9	-171.4	0	0	0	0	111.8	K195 D196 V197 K202 W203	K195-C199 WeakPolarHBondContact O-CB 3.41Å; K195-C199 PolarHBondContact O-N 2.85Å; D196-C199 WeakPolarHBondContact O-CB 3.34Å; D196-C199 PolarHBondContact O-N 3.02Å; V197-C199 VanDerWaalsContact C-N 3.34Å; V197-C199 PolarHBondContact O-N 3.35Å; C199-K202 PolarHBondContact O-N 2.59Å; C199-W203 PolarHBondContact O-N 2.92Å
200	F	98.4	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-43.7	174.8	168	-106.2	0	0	0	112.3	I36 Y40 Y43 M53 F61 F65 D196 V197 K202 W203 A204	I36-F200 HydrophobicContact CG2-CD2 3.93Å; Y40-F200 HydrophobicContact CD2-CE1 4.33Å; Y40-F200 AromaticContact CD2-CE2 3.78Å; Y40-F200 HydrophobicContact CD2-CE2 3.78Å; Y40-F200 AromaticContact CD2-CZ 3.62Å; Y40-F200 HydrophobicContact CD2-CZ 3.62Å; Y40-F200 HydrophobicContact CG-CE2 4.24Å; Y40-F200 HydrophobicContact CG-CZ 4.45Å; Y43-F200 AromaticContact CD1-CE1 3.99Å; Y43-F200 HydrophobicContact CD1-CE1 3.99Å; Y43-F200 HydrophobicContact CD1-CZ 4.41Å; Y43-F200 HydrophobicContact CD2-CE1 4.18Å; Y43-F200 HydrophobicContact CG-CD1 4.36Å; Y43-F200 AromaticContact CG-CE1 3.63Å; Y43-F200 HydrophobicContact CG-CE1 3.63Å; Y43-F200 HydrophobicContact CG-CZ 4.48Å; M53-F200 HydrophobicContact CE-CD1 4.46Å; M53-F200 HydrophobicContact CE-CE1 3.58Å; M53-F200 HydrophobicContact CE-CZ 4.07Å; M53-F200 HydrophobicContact SD-CE1 3.99Å; M53-F200 HydrophobicContact SD-CZ 3.86Å; F61-F200 HydrophobicContact CE1-CE2 4.41Å; F65-F200 HydrophobicContact CE1-CE2 4.34Å; F65-F200 HydrophobicContact CZ-CE2 4.31Å; D196-F200 PolarHBondContact O-N 3.08Å; V197-F200 PolarHBondContact O-N 2.93Å; F200-K202 VanDerWaalsContact C-N 3.3Å; F200-K202 PolarHBondContact O-N 3.03Å; F200-W203 AromaticContact CD2-CE3 3.88Å; F200-W203 HydrophobicContact CD2-CE3 3.88Å; F200-W203 HydrophobicContact CD2-CZ3 4.25Å; F200-W203 AromaticContact CE2-CE3 3.81Å; F200-W203 HydrophobicContact CE2-CE3 3.81Å; F200-W203 AromaticContact CE2-CZ3 3.71Å; F200-W203 HydrophobicContact CE2-CZ3 3.71Å; F200-W203 PolarHBondContact O-N 3.17Å; F200-A204 WeakPolarHBondContact O-CB 3.29Å; F200-A204 PolarHBondContact O-N 2.78Å
201	L	98.5	Very high	97.2	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-68.1	-30	177.8	-68	-179.4	0	0	0	112.7	M53 L123 I126 T127 I137 V197 A198 A205	M53-L201 HydrophobicContact CE-CD2 3.33Å; L123-L201 HydrophobicContact CB-CD2 3.77Å; L123-L201 HydrophobicContact CD1-CD2 4.29Å; L123-L201 HydrophobicContact CD2-CD1 4.42Å; I126-L201 HydrophobicContact CG2-CB 4.31Å; I126-L201 HydrophobicContact CG2-CD1 3.99Å; T127-L201 HydrophobicContact CG2-CB 3.88Å; T127-L201 PolarHBondContact OG1-O 3.33Å; I137-L201 HydrophobicContact CG2-CD1 4.15Å; V197-L201 HydrophobicContact CG2-CD1 4.36Å; V197-L201 HydrophobicContact CG2-CG 4.36Å; V197-L201 WeakPolarHBondContact O-CB 3.1Å; V197-L201 VanDerWaalsContact O-CG 3.22Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 2.81Å; A198-L201 PolarHBondContact O-N 2.91Å; L201-A205 PolarHBondContact O-N 3.15Å; L201-A205 VanDerWaalsContact O-N 3.16Å
202	K	98	Very high	97.2	Very high	36 Å²	36	28.9 Å²	28.9	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-69.7	-45.6	172	-178.7	52.8	170.6	-174.3	0	111.3	H24 Y31 T127 E134 A198 C199 F200 A204 A205 E206	H24-K202 VanDerWaalsContact NE2-CG 3.29Å; H24-K202 WeakPolarHBondContact NE2-CG 3.46Å; Y31-K202 HydrophobicContact CE1-CB 4.4Å; Y31-K202 HydrophobicContact CE1-CG 3.92Å; Y31-K202 PolarHBondContact OH-O 3.04Å; T127-K202 HydrophobicContact CG2-CB 4.3Å; E134-K202 HydrophobicContact CB-CB 4.31Å; E134-K202 WeakPolarHBondContact OE2-CB 3.25Å; E134-K202 WeakPolarHBondContact OE2-CG 3.49Å; A198-K202 WeakPolarHBondContact O-CB 3.41Å; A198-K202 PolarHBondContact O-N 3.2Å; C199-K202 PolarHBondContact O-N 2.59Å; F200-K202 VanDerWaalsContact C-N 3.3Å; F200-K202 PolarHBondContact O-N 3.03Å; K202-A204 VanDerWaalsContact C-N 3.34Å; K202-A204 PolarHBondContact O-N 3.04Å; K202-A205 PolarHBondContact O-N 2.89Å; K202-E206 VanDerWaalsContact CE-OE2 3.31Å; K202-E206 WeakPolarHBondContact CE-OE2 3.37Å; K202-E206 IonicContact NZ-OE2 3.86Å; K202-E206 PolarHBondContact NZ-OE2 2.65Å; K202-E206 PolarHBondContact O-N 3.4Å
203	W	98.1	Very high	97.1	Very high	12 Å²	12	29 Å²	29	5%	0.045	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-42.7	171.3	170.4	83.6	0	0	0	112.3	Y31 I36 H60 F61 A64 F65 C199 F200 A205 E206 P207	Y31-W203 HydrophobicContact CD1-CB 4.45Å; Y31-W203 HydrophobicContact CD2-CB 4.37Å; Y31-W203 AromaticContact CD2-CD1 3.79Å; Y31-W203 HydrophobicContact CE1-CB 4.23Å; Y31-W203 HydrophobicContact CE2-CB 4.05Å; Y31-W203 AromaticContact CE2-CD1 3.82Å; Y31-W203 HydrophobicContact CE2-CG 4.36Å; I36-W203 HydrophobicContact CD1-CB 3.7Å; I36-W203 HydrophobicContact CD1-CD2 4.43Å; I36-W203 HydrophobicContact CD1-CG 3.58Å; I36-W203 HydrophobicContact CG1-CB 4Å; I36-W203 HydrophobicContact CG1-CG 4.24Å; I36-W203 HydrophobicContact CG2-CB 4.43Å; I36-W203 HydrophobicContact CG2-CD2 4.04Å; I36-W203 HydrophobicContact CG2-CE3 4.16Å; I36-W203 HydrophobicContact CG2-CG 4.15Å; H60-W203 HydrophobicContact CB-CH2 4Å; H60-W203 HydrophobicContact CB-CZ2 4.44Å; H60-W203 VanDerWaalsContact O-CZ2 3.32Å; H60-W203 WeakPolarHBondContact O-CZ2 3.39Å; F61-W203 AromaticContact CD1-CH2 3.74Å; F61-W203 HydrophobicContact CD1-CH2 3.74Å; F61-W203 HydrophobicContact CD1-CZ3 4.15Å; F61-W203 HydrophobicContact CE1-CH2 4.06Å; F61-W203 HydrophobicContact CE1-CZ3 4.05Å; A64-W203 HydrophobicContact CB-CZ2 3.61Å; F65-W203 HydrophobicContact CD1-CH2 4.36Å; F65-W203 HydrophobicContact CD1-CZ2 4.35Å; F65-W203 HydrophobicContact CE1-CE3 4.3Å; F65-W203 AromaticContact CE1-CH2 3.74Å; F65-W203 HydrophobicContact CE1-CH2 3.74Å; F65-W203 HydrophobicContact CE1-CZ2 4.18Å; F65-W203 AromaticContact CE1-CZ3 3.8Å; F65-W203 HydrophobicContact CE1-CZ3 3.8Å; C199-W203 PolarHBondContact O-N 2.92Å; F200-W203 AromaticContact CD2-CE3 3.88Å; F200-W203 HydrophobicContact CD2-CE3 3.88Å; F200-W203 HydrophobicContact CD2-CZ3 4.25Å; F200-W203 AromaticContact CE2-CE3 3.81Å; F200-W203 HydrophobicContact CE2-CE3 3.81Å; F200-W203 AromaticContact CE2-CZ3 3.71Å; F200-W203 HydrophobicContact CE2-CZ3 3.71Å; F200-W203 PolarHBondContact O-N 3.17Å; W203-A205 VanDerWaalsContact C-N 3.27Å; W203-A205 PolarHBondContact O-N 3.41Å; W203-E206 CarbonylContact O-C 3.52Å; W203-E206 PolarHBondContact O-N 3.05Å; W203-P207 HydrophobicContact CZ2-CB 4.41Å; W203-P207 VanDerWaalsContact O-CA 3.23Å; W203-P207 WeakPolarHBondContact O-CA 3.42Å; W203-P207 WeakPolarHBondContact O-CD 3.4Å
204	A	98.1	Very high	96.9	Very high	6 Å²	6	37 Å²	37	5%	0.05	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-35.3	178.9	0	0	0	0	0	112.2	M53 I56 S124 F200 K202	M53-A204 HydrophobicContact CE-CB 4.1Å; M53-A204 HydrophobicContact SD-CB 4.19Å; I56-A204 HydrophobicContact CD1-CB 4.06Å; I56-A204 HydrophobicContact CG1-CB 3.96Å; S124-A204 CarbonylContact O-C 3.54Å; F200-A204 WeakPolarHBondContact O-CB 3.29Å; F200-A204 PolarHBondContact O-N 2.78Å; K202-A204 VanDerWaalsContact C-N 3.34Å; K202-A204 PolarHBondContact O-N 3.04Å
205	A	97.9	Very high	96.8	Very high	10 Å²	10	43.9 Å²	43.9	8%	0.083	19%	0.194	C	C	.	.	H	α-helix	trans	-78.9	-28.5	178.2	0	0	0	0	0	113.8	S124 L125 T127 L128 L201 K202 W203	S124-A205 VanDerWaalsContact O-CA 3.24Å; S124-A205 WeakPolarHBondContact O-CA 3.47Å; S124-A205 PolarHBondContact O-N 2.77Å; L125-A205 HydrophobicContact CD2-CB 4.27Å; T127-A205 WeakPolarHBondContact OG1-CB 3.46Å; L128-A205 HydrophobicContact CD1-CB 4.01Å; L128-A205 HydrophobicContact CG-CB 3.93Å; L201-A205 PolarHBondContact O-N 3.15Å; L201-A205 VanDerWaalsContact O-N 3.16Å; K202-A205 PolarHBondContact O-N 2.89Å; W203-A205 VanDerWaalsContact C-N 3.27Å; W203-A205 PolarHBondContact O-N 3.41Å
206	E	96.4	Very high	96.7	Very high	29 Å²	29	42.9 Å²	42.9	14%	0.136	20%	0.2	C	C	.	.			trans	-135.9	65.5	179.5	-66.2	-179.2	79.7	0	0	111.5	L128 K202 W203 E208 H209 R212	L128-E206 HydrophobicContact CD1-CG 4.12Å; L128-E206 HydrophobicContact CD2-CG 4.26Å; K202-E206 VanDerWaalsContact CE-OE2 3.31Å; K202-E206 WeakPolarHBondContact CE-OE2 3.37Å; K202-E206 IonicContact NZ-OE2 3.86Å; K202-E206 PolarHBondContact NZ-OE2 2.65Å; K202-E206 PolarHBondContact O-N 3.4Å; W203-E206 CarbonylContact O-C 3.52Å; W203-E206 PolarHBondContact O-N 3.05Å; E206-E208 PolarHBondContact O-N 2.83Å; E206-H209 HydrophobicContact CB-CB 4.23Å; E206-H209 WeakPolarHBondContact O-CB 3.4Å; E206-H209 PolarHBondContact O-N 3.35Å; E206-H209 VanDerWaalsContact O-N 3.07Å; E206-R212 IonicContact OE1-CZ 2.6Å; E206-R212 IonicContact OE1-NH1 3.82Å; E206-R212 IonicContact OE1-NH2 3.48Å; E206-R212 PolarHBondContact OE1-NH2 3.46Å
207	P	95.9	Very high	96.6	Very high	51 Å²	51	47.8 Å²	47.8	33%	0.331	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.8	-177.8	26.6	-35.1	0	0	0	112.1	W203 H209	W203-P207 HydrophobicContact CZ2-CB 4.41Å; W203-P207 VanDerWaalsContact O-CA 3.23Å; W203-P207 WeakPolarHBondContact O-CA 3.42Å; W203-P207 WeakPolarHBondContact O-CD 3.4Å; P207-H209 VanDerWaalsContact C-N 3.31Å
208	E	94.8	Very high	96.5	Very high	76 Å²	76	52.9 Å²	52.9	36%	0.355	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.2	176.4	81.2	-55.6	141.2	0	0	113.9	E206 D210 I211 R212	E206-E208 PolarHBondContact O-N 2.83Å; E208-D210 PolarHBondContact O-N 3.39Å; E208-I211 CarbonylContact O-C 3.57Å; E208-I211 WeakPolarHBondContact O-CA 3.36Å; E208-I211 WeakPolarHBondContact O-CB 3.38Å; E208-I211 PolarHBondContact O-N 2.95Å; E208-I211 VanDerWaalsContact O-N 3.07Å; E208-R212 PolarHBondContact O-N 2.94Å; E208-R212 IonicContact OE1-CZ 3.66Å; E208-R212 IonicContact OE1-NE 3.12Å; E208-R212 PolarHBondContact OE1-NE 2.99Å; E208-R212 IonicContact OE1-NH2 3Å; E208-R212 PolarHBondContact OE1-NH2 2.67Å
209	H	95.8	Very high	96.4	Very high	13 Å²	13	57.2 Å²	57.2	6%	0.06	27%	0.271	C	S	.	.	H	α-helix	trans	-48.8	-52.4	-178.1	168.6	-86.4	0	0	0	113.1	H24 Y31 E206 P207 I211 R212 K213	H24-H209 PolarHBondContact O-NE2 3.43Å; Y31-H209 HydrophobicContact CD2-CB 4.48Å; Y31-H209 AromaticContact CD2-ND1 3.99Å; Y31-H209 HydrophobicContact CE2-CB 3.57Å; Y31-H209 AromaticContact CE2-CG 3.77Å; Y31-H209 AromaticContact CE2-ND1 3.74Å; Y31-H209 AromaticContact CZ-CG 3.99Å; E206-H209 HydrophobicContact CB-CB 4.23Å; E206-H209 WeakPolarHBondContact O-CB 3.4Å; E206-H209 PolarHBondContact O-N 3.35Å; E206-H209 VanDerWaalsContact O-N 3.07Å; P207-H209 VanDerWaalsContact C-N 3.31Å; H209-I211 VanDerWaalsContact C-N 3.33Å; H209-I211 PolarHBondContact O-N 3.32Å; H209-R212 WeakPolarHBondContact O-CB 3.43Å; H209-R212 PolarHBondContact O-N 2.81Å; H209-K213 WeakPolarHBondContact CE1-CE 3.27Å; H209-K213 PolarHBondContact CE1-NZ 3.08Å; H209-K213 WeakPolarHBondContact NE2-CE 3.26Å; H209-K213 PolarHBondContact NE2-NZ 2.75Å; H209-K213 PolarHBondContact O-N 2.98Å
210	D	94.9	Very high	96.3	Very high	32 Å²	32	60.1 Å²	60.1	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-69.8	-33.5	-178.4	-73.3	-0.7	0	0	0	111.7	T30 Y31 E208 K213 R214	T30-D210 WeakPolarHBondContact CA-OD1 3.39Å; T30-D210 WeakPolarHBondContact CB-OD2 3.32Å; Y31-D210 PolarHBondContact N-OD1 3.26Å; E208-D210 PolarHBondContact O-N 3.39Å; D210-K213 PolarHBondContact O-N 2.83Å; D210-R214 WeakPolarHBondContact O-CB 3.41Å; D210-R214 VanDerWaalsContact O-CG 3.22Å; D210-R214 WeakPolarHBondContact O-CG 3.38Å; D210-R214 PolarHBondContact O-N 3.19Å
211	I	94.1	Very high	96.3	Very high	97 Å²	97	64.8 Å²	64.8	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-45.3	174	-65	171.1	0	0	0	109.8	E208 H209 K213 R214 W215	E208-I211 CarbonylContact O-C 3.57Å; E208-I211 WeakPolarHBondContact O-CA 3.36Å; E208-I211 WeakPolarHBondContact O-CB 3.38Å; E208-I211 PolarHBondContact O-N 2.95Å; E208-I211 VanDerWaalsContact O-N 3.07Å; H209-I211 VanDerWaalsContact C-N 3.33Å; H209-I211 PolarHBondContact O-N 3.32Å; I211-K213 PolarHBondContact O-N 2.8Å; I211-R214 PolarHBondContact O-N 3.16Å; I211-W215 VanDerWaalsContact O-CD1 3.23Å; I211-W215 PolarHBondContact O-N 3.04Å
212	R	95.8	Very high	96.2	Very high	118 Å²	118	69.4 Å²	69.4	45%	0.445	35%	0.347	S	S	.	.	H	α-helix	trans	-57.4	-47.9	175.3	-116	-169	-55.5	134.4	0.8	111.1	E206 E208 H209 W215 A216	E206-R212 IonicContact OE1-CZ 2.6Å; E206-R212 IonicContact OE1-NH1 3.82Å; E206-R212 IonicContact OE1-NH2 3.48Å; E206-R212 PolarHBondContact OE1-NH2 3.46Å; E208-R212 PolarHBondContact O-N 2.94Å; E208-R212 IonicContact OE1-CZ 3.66Å; E208-R212 IonicContact OE1-NE 3.12Å; E208-R212 PolarHBondContact OE1-NE 2.99Å; E208-R212 IonicContact OE1-NH2 3Å; E208-R212 PolarHBondContact OE1-NH2 2.67Å; H209-R212 WeakPolarHBondContact O-CB 3.43Å; H209-R212 PolarHBondContact O-N 2.81Å; R212-W215 PolarHBondContact O-N 3.49Å; R212-A216 WeakPolarHBondContact O-CB 3.41Å; R212-A216 PolarHBondContact O-N 3.27Å
213	K	96.2	Very high	96.2	Very high	42 Å²	42	71.9 Å²	71.9	18%	0.183	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-41.3	179	-73.6	-175	177.5	178.4	0	112.5	H24 G26 Q29 H209 D210 I211 W215 A216 L217	H24-K213 PolarHBondContact O-NZ 3.16Å; G26-K213 PolarHBondContact O-NZ 3.36Å; Q29-K213 WeakPolarHBondContact O-CD 3.29Å; Q29-K213 PolarHBondContact O-NZ 2.86Å; H209-K213 WeakPolarHBondContact CE1-CE 3.27Å; H209-K213 PolarHBondContact CE1-NZ 3.08Å; H209-K213 WeakPolarHBondContact NE2-CE 3.26Å; H209-K213 PolarHBondContact NE2-NZ 2.75Å; H209-K213 PolarHBondContact O-N 2.98Å; D210-K213 PolarHBondContact O-N 2.83Å; I211-K213 PolarHBondContact O-N 2.8Å; K213-W215 VanDerWaalsContact C-N 3.34Å; K213-W215 PolarHBondContact O-N 3.01Å; K213-A216 PolarHBondContact O-N 3.44Å; K213-L217 PolarHBondContact O-N 2.99Å
214	R	94.2	Very high	96.2	Very high	168 Å²	168	74.4 Å²	74.4	63%	0.634	38%	0.379	S	S	*	.	H	α-helix	trans	-60.2	-42.9	174	-73	171.6	-176.3	-167.1	3.6	111.8	D210 I211 K218	D210-R214 WeakPolarHBondContact O-CB 3.41Å; D210-R214 VanDerWaalsContact O-CG 3.22Å; D210-R214 WeakPolarHBondContact O-CG 3.38Å; D210-R214 PolarHBondContact O-N 3.19Å; I211-R214 PolarHBondContact O-N 3.16Å; R214-K218 WeakPolarHBondContact O-CG 3.46Å; R214-K218 PolarHBondContact O-N 3.41Å; R214-K218 VanDerWaalsContact O-N 3.13Å
215	W	96.3	Very high	96.2	Very high	146 Å²	146	77.3 Å²	77.3	55%	0.553	40%	0.398	S	S	*	.	H	α-helix	trans	-69.1	-40.8	175.2	-81	112.4	0	0	0	112.9	I211 R212 K213 L217 K218 L219	I211-W215 VanDerWaalsContact O-CD1 3.23Å; I211-W215 PolarHBondContact O-N 3.04Å; R212-W215 PolarHBondContact O-N 3.49Å; K213-W215 VanDerWaalsContact C-N 3.34Å; K213-W215 PolarHBondContact O-N 3.01Å; W215-L217 VanDerWaalsContact C-N 3.26Å; W215-L217 PolarHBondContact O-N 3.31Å; W215-K218 HydrophobicContact CD2-CD 4.28Å; W215-K218 HydrophobicContact CE3-CB 4.45Å; W215-K218 HydrophobicContact CE3-CD 3.74Å; W215-K218 HydrophobicContact CZ3-CD 3.93Å; W215-K218 PolarHBondContact O-N 3.17Å; W215-L219 WeakPolarHBondContact O-CG 3.5Å; W215-L219 PolarHBondContact O-N 3.17Å
216	A	95.8	Very high	96.2	Very high	57 Å²	57	80.9 Å²	80.9	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-57.6	-42	174.9	0	0	0	0	0	111.1	R212 K213 L219 A220	R212-A216 WeakPolarHBondContact O-CB 3.41Å; R212-A216 PolarHBondContact O-N 3.27Å; K213-A216 PolarHBondContact O-N 3.44Å; A216-L219 PolarHBondContact O-N 3.45Å; A216-A220 VanDerWaalsContact O-CB 3.3Å; A216-A220 WeakPolarHBondContact O-CB 3.27Å; A216-A220 PolarHBondContact O-N 3.41Å
217	L	95.6	Very high	96.3	Very high	103 Å²	103	82.7 Å²	82.7	54%	0.539	43%	0.428	S	S	.	.	H	α-helix	trans	-64.6	-44.8	175.3	-176.1	62.3	0	0	0	112.3	K213 W215 L219 A220 V221	K213-L217 PolarHBondContact O-N 2.99Å; W215-L217 VanDerWaalsContact C-N 3.26Å; W215-L217 PolarHBondContact O-N 3.31Å; L217-L219 VanDerWaalsContact C-N 3.32Å; L217-L219 PolarHBondContact O-N 3.36Å; L217-A220 PolarHBondContact O-N 2.83Å; L217-V221 WeakPolarHBondContact O-CG2 3.44Å; L217-V221 PolarHBondContact O-N 2.99Å; L217-V221 VanDerWaalsContact O-N 3.08Å
218	K	96.1	Very high	96.4	Very high	108 Å²	108	85.8 Å²	85.8	47%	0.47	44%	0.441	S	S	.	.	H	α-helix	trans	-57.7	-45.5	174.8	-70.6	172.5	-177.6	179.9	0	111.4	R214 W215 V221 I222	R214-K218 WeakPolarHBondContact O-CG 3.46Å; R214-K218 PolarHBondContact O-N 3.41Å; R214-K218 VanDerWaalsContact O-N 3.13Å; W215-K218 HydrophobicContact CD2-CD 4.28Å; W215-K218 HydrophobicContact CE3-CB 4.45Å; W215-K218 HydrophobicContact CE3-CD 3.74Å; W215-K218 HydrophobicContact CZ3-CD 3.93Å; W215-K218 PolarHBondContact O-N 3.17Å; K218-V221 PolarHBondContact O-N 3.4Å; K218-I222 VanDerWaalsContact O-CG1 3.31Å; K218-I222 WeakPolarHBondContact O-CG1 3.3Å; K218-I222 PolarHBondContact O-N 3.47Å
219	L	96.7	Very high	96.5	Very high	92 Å²	92	86.4 Å²	86.4	48%	0.482	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-40.5	177.2	-68.8	173.8	0	0	0	111.7	W215 A216 L217 V221 I222 L223	W215-L219 WeakPolarHBondContact O-CG 3.5Å; W215-L219 PolarHBondContact O-N 3.17Å; A216-L219 PolarHBondContact O-N 3.45Å; L217-L219 VanDerWaalsContact C-N 3.32Å; L217-L219 PolarHBondContact O-N 3.36Å; L219-V221 PolarHBondContact O-N 3.12Å; L219-I222 PolarHBondContact O-N 3.45Å; L219-L223 HydrophobicContact CB-CD1 4.25Å; L219-L223 VanDerWaalsContact O-CB 3.27Å; L219-L223 WeakPolarHBondContact O-CB 3.32Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.09Å; L219-L223 PolarHBondContact O-N 3.33Å
220	A	95.7	Very high	96.6	Very high	61 Å²	61	90.8 Å²	90.8	50%	0.504	47%	0.473	S	S	.	.	H	α-helix	trans	-62.5	-27.9	177.1	0	0	0	0	0	113	A216 L217 P224	A216-A220 VanDerWaalsContact O-CB 3.3Å; A216-A220 WeakPolarHBondContact O-CB 3.27Å; A216-A220 PolarHBondContact O-N 3.41Å; L217-A220 PolarHBondContact O-N 2.83Å; A220-P224 WeakPolarHBondContact O-CD 3.28Å; A220-P224 WeakPolarHBondContact O-CG 3.28Å
221	V	96.6	Very high	96.7	Very high	99 Å²	99	93.9 Å²	93.9	60%	0.6	49%	0.489	S	S	*	.	H	α-helix	trans	-83	-37.5	174.8	175.1	0	0	0	0	112.1	L217 K218 L219 P225	L217-V221 WeakPolarHBondContact O-CG2 3.44Å; L217-V221 PolarHBondContact O-N 2.99Å; L217-V221 VanDerWaalsContact O-N 3.08Å; K218-V221 PolarHBondContact O-N 3.4Å; L219-V221 PolarHBondContact O-N 3.12Å; V221-P225 WeakPolarHBondContact O-CD 3.28Å; V221-P225 WeakPolarHBondContact O-CG 3.26Å
222	I	97.5	Very high	96.9	Very high	102 Å²	102	97.1 Å²	97.1	52%	0.523	50%	0.496	S	S	.	.	H	α-helix	trans	-82.5	-37	-175.1	-66.3	167.3	0	0	0	112.6	K218 L219 P225 L226	K218-I222 VanDerWaalsContact O-CG1 3.31Å; K218-I222 WeakPolarHBondContact O-CG1 3.3Å; K218-I222 PolarHBondContact O-N 3.47Å; L219-I222 PolarHBondContact O-N 3.45Å; I222-P225 VanDerWaalsContact O-CD 3.27Å; I222-P225 WeakPolarHBondContact O-CD 3.47Å; I222-P225 VanDerWaalsContact O-CG 3.3Å; I222-P225 WeakPolarHBondContact O-CG 3.46Å; I222-L226 WeakPolarHBondContact O-CB 3.37Å; I222-L226 PolarHBondContact O-N 2.96Å
223	L	97.8	Very high	97	Very high	88 Å²	88	99.4 Å²	99.4	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-43.1	-175.2	-73.7	172.1	0	0	0	113.4	L219 L226 T227	L219-L223 HydrophobicContact CB-CD1 4.25Å; L219-L223 VanDerWaalsContact O-CB 3.27Å; L219-L223 WeakPolarHBondContact O-CB 3.32Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.09Å; L219-L223 PolarHBondContact O-N 3.33Å; L223-L226 PolarHBondContact O-N 2.98Å; L223-T227 WeakPolarHBondContact O-CB 3.46Å; L223-T227 WeakPolarHBondContact O-CG2 3.24Å; L223-T227 PolarHBondContact O-N 3.14Å; L223-T227 PolarHBondContact O-OG1 2.66Å; L223-T227 VanDerWaalsContact O-OG1 3.11Å
224	P	98	Very high	97	Very high	64 Å²	64	103 Å²	103	42%	0.416	52%	0.521	S	S	.	.	H	α-helix	trans	-57.1	-54.3	178.4	-25.3	34.9	0	0	0	114.4	A220 L226 T227 L228	A220-P224 WeakPolarHBondContact O-CD 3.28Å; A220-P224 WeakPolarHBondContact O-CG 3.28Å; P224-L226 VanDerWaalsContact C-N 3.33Å; P224-L226 PolarHBondContact O-N 3.29Å; P224-T227 WeakPolarHBondContact CA-OG1 3.48Å; P224-T227 PolarHBondContact O-N 3.17Å; P224-T227 PolarHBondContact O-OG1 2.67Å; P224-L228 WeakPolarHBondContact O-CG 3.35Å; P224-L228 PolarHBondContact O-N 2.81Å
225	P	98	Very high	97.1	Very high	67 Å²	67	104.1 Å²	104.1	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-37.9	177.9	24.3	-32.7	0	0	0	112.4	V221 I222 T227 L228 V229	V221-P225 WeakPolarHBondContact O-CD 3.28Å; V221-P225 WeakPolarHBondContact O-CG 3.26Å; I222-P225 VanDerWaalsContact O-CD 3.27Å; I222-P225 WeakPolarHBondContact O-CD 3.47Å; I222-P225 VanDerWaalsContact O-CG 3.3Å; I222-P225 WeakPolarHBondContact O-CG 3.46Å; P225-T227 PolarHBondContact O-N 3.28Å; P225-L228 PolarHBondContact O-N 2.73Å; P225-V229 WeakPolarHBondContact O-CG2 3.47Å; P225-V229 PolarHBondContact O-N 3.23Å
226	L	97.8	Very high	97.1	Very high	86 Å²	86	102.1 Å²	102.1	45%	0.45	52%	0.522	S	S	.	.	H	α-helix	trans	-61	-46.4	175.4	179.7	62.2	0	0	0	111.4	I222 L223 P224 L228 V229 L230	I222-L226 WeakPolarHBondContact O-CB 3.37Å; I222-L226 PolarHBondContact O-N 2.96Å; L223-L226 PolarHBondContact O-N 2.98Å; P224-L226 VanDerWaalsContact C-N 3.33Å; P224-L226 PolarHBondContact O-N 3.29Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 2.56Å; L226-V229 PolarHBondContact O-N 2.86Å; L226-L230 HydrophobicContact CD1-CD1 4.42Å; L226-L230 HydrophobicContact CD1-CG 4.42Å; L226-L230 HydrophobicContact CG-CD1 4.18Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.16Å; L226-L230 PolarHBondContact O-N 3.37Å
227	T	98	Very high	97	Very high	66 Å²	66	102.9 Å²	102.9	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-62.7	-39	176.5	59.6	0	0	0	0	111.6	L223 P224 P225 L230 L231	L223-T227 WeakPolarHBondContact O-CB 3.46Å; L223-T227 WeakPolarHBondContact O-CG2 3.24Å; L223-T227 PolarHBondContact O-N 3.14Å; L223-T227 PolarHBondContact O-OG1 2.66Å; L223-T227 VanDerWaalsContact O-OG1 3.11Å; P224-T227 WeakPolarHBondContact CA-OG1 3.48Å; P224-T227 PolarHBondContact O-N 3.17Å; P224-T227 PolarHBondContact O-OG1 2.67Å; P225-T227 PolarHBondContact O-N 3.28Å; T227-L230 PolarHBondContact O-N 2.95Å; T227-L231 VanDerWaalsContact O-CB 3.3Å; T227-L231 WeakPolarHBondContact O-CB 3.46Å; T227-L231 WeakPolarHBondContact O-CG 3.08Å; T227-L231 PolarHBondContact O-N 3.02Å
228	L	98.1	Very high	97	Very high	117 Å²	117	104.5 Å²	104.5	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-62.4	-43.5	174.7	-70.1	174.7	0	0	0	112.2	P224 P225 L226 L231 Y232	P224-L228 WeakPolarHBondContact O-CG 3.35Å; P224-L228 PolarHBondContact O-N 2.81Å; P225-L228 PolarHBondContact O-N 2.73Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 2.56Å; L228-L231 PolarHBondContact O-N 3.01Å; L228-Y232 VanDerWaalsContact O-CB 3.3Å; L228-Y232 WeakPolarHBondContact O-CB 3.48Å; L228-Y232 PolarHBondContact O-N 3.42Å
229	V	97.8	Very high	96.9	Very high	88 Å²	88	104 Å²	104	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-45.3	175.8	171.6	0	0	0	0	110.9	P225 L226 Y232 W233	P225-V229 WeakPolarHBondContact O-CG2 3.47Å; P225-V229 PolarHBondContact O-N 3.23Å; L226-V229 PolarHBondContact O-N 2.86Å; V229-Y232 PolarHBondContact O-N 3.38Å; V229-W233 WeakPolarHBondContact O-CB 3.32Å; V229-W233 PolarHBondContact O-N 2.93Å
230	L	97.8	Very high	96.6	Very high	105 Å²	105	106 Å²	106	55%	0.55	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-41.1	177.5	-68.9	173.9	0	0	0	112	L226 T227 W233 K234	L226-L230 HydrophobicContact CD1-CD1 4.42Å; L226-L230 HydrophobicContact CD1-CG 4.42Å; L226-L230 HydrophobicContact CG-CD1 4.18Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.16Å; L226-L230 PolarHBondContact O-N 3.37Å; T227-L230 PolarHBondContact O-N 2.95Å; L230-W233 PolarHBondContact O-N 3.26Å; L230-K234 VanDerWaalsContact O-CB 3.26Å; L230-K234 WeakPolarHBondContact O-CB 3.5Å; L230-K234 PolarHBondContact O-N 3.31Å
231	L	97.7	Very high	96.4	Very high	98 Å²	98	107.6 Å²	107.6	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-39.7	176.4	-72.7	175	0	0	0	111.6	T227 L228 R235	T227-L231 VanDerWaalsContact O-CB 3.3Å; T227-L231 WeakPolarHBondContact O-CB 3.46Å; T227-L231 WeakPolarHBondContact O-CG 3.08Å; T227-L231 PolarHBondContact O-N 3.02Å; L228-L231 PolarHBondContact O-N 3.01Å; L231-R235 WeakPolarHBondContact O-CG 3.4Å; L231-R235 PolarHBondContact O-N 3.46Å
232	Y	97.4	Very high	96.1	Very high	164 Å²	164	110.9 Å²	110.9	64%	0.643	53%	0.528	S	S	*	.	H	α-helix	trans	-62.6	-49.9	173	173.6	-97.1	0	0	0	111.3	L228 V229 K234 R235 H236	L228-Y232 VanDerWaalsContact O-CB 3.3Å; L228-Y232 WeakPolarHBondContact O-CB 3.48Å; L228-Y232 PolarHBondContact O-N 3.42Å; V229-Y232 PolarHBondContact O-N 3.38Å; Y232-K234 VanDerWaalsContact C-N 3.33Å; Y232-K234 PolarHBondContact O-N 3.32Å; Y232-R235 PolarHBondContact O-N 2.99Å; Y232-R235 VanDerWaalsContact O-N 3.11Å; Y232-H236 WeakPolarHBondContact O-CB 3.07Å; Y232-H236 PolarHBondContact O-N 3.29Å
233	W	97.1	Very high	95.8	Very high	166 Å²	166	109.7 Å²	109.7	63%	0.629	53%	0.529	S	S	*	.	H	α-helix	trans	-58.7	-45.5	177.6	-174.6	-70	0	0	0	111.4	V229 L230 R235 H236 Q237	V229-W233 WeakPolarHBondContact O-CB 3.32Å; V229-W233 PolarHBondContact O-N 2.93Å; L230-W233 PolarHBondContact O-N 3.26Å; W233-R235 PolarHBondContact O-N 3.45Å; W233-H236 PolarHBondContact O-N 3.3Å; W233-Q237 WeakPolarHBondContact O-CG 3.41Å; W233-Q237 PolarHBondContact O-N 3.12Å
234	K	97.1	Very high	95.3	Very high	119 Å²	119	111.9 Å²	111.9	52%	0.517	53%	0.531	S	S	.	.	H	α-helix	trans	-54.8	-53.6	172.6	176.8	177.6	178.7	-93	0	109.9	L230 Y232 H236 Q237 W238	L230-K234 VanDerWaalsContact O-CB 3.26Å; L230-K234 WeakPolarHBondContact O-CB 3.5Å; L230-K234 PolarHBondContact O-N 3.31Å; Y232-K234 VanDerWaalsContact C-N 3.33Å; Y232-K234 PolarHBondContact O-N 3.32Å; K234-H236 VanDerWaalsContact C-N 3.3Å; K234-H236 PolarHBondContact O-N 3.41Å; K234-Q237 PolarHBondContact O-N 3.02Å; K234-W238 WeakPolarHBondContact O-CB 3.22Å; K234-W238 PolarHBondContact O-N 3.48Å
235	R	96.6	Very high	94.7	Very high	191 Å²	191	117.3 Å²	117.3	72%	0.721	55%	0.551	S	S	*	*	H	α-helix	trans	-57	-43.8	178.9	-73.5	-177.7	75.4	135.4	3.4	111.9	L231 Y232 W233 W238 T239	L231-R235 WeakPolarHBondContact O-CG 3.4Å; L231-R235 PolarHBondContact O-N 3.46Å; Y232-R235 PolarHBondContact O-N 2.99Å; Y232-R235 VanDerWaalsContact O-N 3.11Å; W233-R235 PolarHBondContact O-N 3.45Å; R235-W238 PolarHBondContact O-N 3.42Å; R235-T239 PolarHBondContact O-N 2.94Å; R235-T239 PolarHBondContact O-OG1 2.69Å; R235-T239 VanDerWaalsContact O-OG1 3.08Å
236	H	95	Very high	94.1	Very high	104 Å²	104	123 Å²	123	48%	0.481	57%	0.569	S	S	.	*	H	α-helix	trans	-60.6	-50.2	178.6	-178.6	75.6	0	0	0	112.7	Y232 W233 K234 W238 T239 Y240	Y232-H236 WeakPolarHBondContact O-CB 3.07Å; Y232-H236 PolarHBondContact O-N 3.29Å; W233-H236 PolarHBondContact O-N 3.3Å; K234-H236 VanDerWaalsContact C-N 3.3Å; K234-H236 PolarHBondContact O-N 3.41Å; H236-W238 PolarHBondContact O-N 3.42Å; H236-T239 WeakPolarHBondContact O-CB 3.42Å; H236-T239 PolarHBondContact O-N 3.27Å; H236-Y240 PolarHBondContact O-N 2.82Å; H236-Y240 VanDerWaalsContact O-N 3.08Å
237	Q	94.8	Very high	93.6	Very high	72 Å²	72	124.5 Å²	124.5	34%	0.336	58%	0.582	S	S	.	*	H	α-helix	trans	-63.4	-40.9	178.4	-69.9	-61.9	-43.5	0	0	112.3	W233 K234 T239 Y240 L241	W233-Q237 WeakPolarHBondContact O-CG 3.41Å; W233-Q237 PolarHBondContact O-N 3.12Å; K234-Q237 PolarHBondContact O-N 3.02Å; Q237-T239 VanDerWaalsContact C-N 3.32Å; Q237-T239 PolarHBondContact O-N 3.48Å; Q237-Y240 PolarHBondContact O-N 3Å; Q237-L241 WeakPolarHBondContact O-CG 3.3Å; Q237-L241 PolarHBondContact O-N 2.92Å
238	W	94.7	Very high	93.1	Very high	138 Å²	138	129.3 Å²	129.3	52%	0.523	60%	0.597	S	S	.	*	H	α-helix	trans	-68.1	-31.4	177.7	-81.7	80.4	0	0	0	112.7	K234 R235 H236 K242	K234-W238 WeakPolarHBondContact O-CB 3.22Å; K234-W238 PolarHBondContact O-N 3.48Å; R235-W238 PolarHBondContact O-N 3.42Å; H236-W238 PolarHBondContact O-N 3.42Å; W238-K242 WeakPolarHBondContact O-CB 3.46Å; W238-K242 VanDerWaalsContact O-CG 3.29Å; W238-K242 WeakPolarHBondContact O-CG 3.5Å; W238-K242 PolarHBondContact O-N 2.94Å
239	T	94.1	Very high	92.5	Very high	96 Å²	96	132.2 Å²	132.2	59%	0.589	61%	0.605	S	S	*	*	H	α-helix	trans	-64.6	-48.7	170.4	-66	0	0	0	0	110.7	R235 H236 Q237 L241 K242 S243	R235-T239 PolarHBondContact O-N 2.94Å; R235-T239 PolarHBondContact O-OG1 2.69Å; R235-T239 VanDerWaalsContact O-OG1 3.08Å; H236-T239 WeakPolarHBondContact O-CB 3.42Å; H236-T239 PolarHBondContact O-N 3.27Å; Q237-T239 VanDerWaalsContact C-N 3.32Å; Q237-T239 PolarHBondContact O-N 3.48Å; T239-L241 PolarHBondContact O-N 3.46Å; T239-K242 PolarHBondContact O-N 2.77Å; T239-S243 WeakPolarHBondContact O-CB 3.4Å; T239-S243 PolarHBondContact O-N 2.66Å; T239-S243 PolarHBondContact O-OG 3.23Å; T239-S243 VanDerWaalsContact O-OG 3.1Å
240	Y	90.7	Very high	92	Very high	135 Å²	135	132.4 Å²	132.4	53%	0.529	61%	0.608	S	S	.	*	H	α-helix	trans	-58.9	-48.9	178.5	175.4	-100.5	0	0	0	112.4	H236 Q237 K242 S243 R244	H236-Y240 PolarHBondContact O-N 2.82Å; H236-Y240 VanDerWaalsContact O-N 3.08Å; Q237-Y240 PolarHBondContact O-N 3Å; Y240-K242 PolarHBondContact O-N 3.26Å; Y240-S243 PolarHBondContact O-N 2.86Å; Y240-S243 PolarHBondContact O-OG 3.08Å; Y240-R244 HydrophobicContact CE1-CG 4.32Å; Y240-R244 WeakPolarHBondContact O-CG 3.39Å; Y240-R244 PolarHBondContact O-N 2.84Å
241	L	91	Very high	91.3	Very high	94 Å²	94	132.7 Å²	132.7	49%	0.492	62%	0.616	S	S	.	*	H	α-helix	trans	-61.5	-41.6	-179.5	-73.7	172.4	0	0	0	112.6	Q237 T239 S243	Q237-L241 WeakPolarHBondContact O-CG 3.3Å; Q237-L241 PolarHBondContact O-N 2.92Å; T239-L241 PolarHBondContact O-N 3.46Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 2.9Å
242	K	90.9	Very high	90.8	Very high	168 Å²	168	139.2 Å²	139.2	73%	0.73	63%	0.634	S	S	*	*	H	α-helix	trans	-71.4	-24.3	178.2	-73.3	-179	177.2	-174	0	113.3	W238 T239 Y240	W238-K242 WeakPolarHBondContact O-CB 3.46Å; W238-K242 VanDerWaalsContact O-CG 3.29Å; W238-K242 WeakPolarHBondContact O-CG 3.5Å; W238-K242 PolarHBondContact O-N 2.94Å; T239-K242 PolarHBondContact O-N 2.77Å; Y240-K242 PolarHBondContact O-N 3.26Å
243	S	91	Very high	90	Very high	78 Å²	78	139.6 Å²	139.6	55%	0.545	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	2	179.2	64.7	0	0	0	0	114.2	T239 Y240 L241 Q245	T239-S243 WeakPolarHBondContact O-CB 3.4Å; T239-S243 PolarHBondContact O-N 2.66Å; T239-S243 PolarHBondContact O-OG 3.23Å; T239-S243 VanDerWaalsContact O-OG 3.1Å; Y240-S243 PolarHBondContact O-N 2.86Å; Y240-S243 PolarHBondContact O-OG 3.08Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 2.9Å; S243-Q245 PolarHBondContact O-N 2.89Å
244	R	86.9	Confident	89.2	Confident	134 Å²	134	137.7 Å²	137.7	51%	0.506	65%	0.651	S	S	.	*			trans	-69.5	123.4	178.8	-64.4	-178	70.5	-176.5	1.3	110.1	Y240	Y240-R244 HydrophobicContact CE1-CG 4.32Å; Y240-R244 WeakPolarHBondContact O-CG 3.39Å; Y240-R244 PolarHBondContact O-N 2.84Å
245	Q	86.6	Confident	88.5	Confident	178 Å²	178	140.3 Å²	140.3	83%	0.832	67%	0.665	S	S	*	*			trans	-99.5	134.1	168.2	-65.6	-176.7	-12.5	0	0	109.4	S243	S243-Q245 PolarHBondContact O-N 2.89Å
246	F	84.4	Confident	87.7	Confident	185 Å²	185	135.4 Å²	135.4	81%	0.811	67%	0.665	S	S	*	*			trans	-89.2	112.4	172.5	-65.3	-82.1	0	0	0	108.8
247	V	87.5	Confident	86.7	Confident	118 Å²	118	135.8 Å²	135.8	72%	0.715	68%	0.677	S	S	*	*			trans	-91.1	109	170.5	-178.1	0	0	0	0	107.7	K249	V247-K249 PolarHBondContact O-N 3.11Å
248	F	87.9	Confident	86	Confident	168 Å²	168	138.6 Å²	138.6	74%	0.737	70%	0.701	S	S	*	*			trans	-72.2	115.5	169.5	-178.8	-104.4	0	0	0	108.7	P250	F248-P250 HydrophobicContact CD1-CB 4.45Å; F248-P250 HydrophobicContact CE1-CB 3.93Å; F248-P250 WeakPolarHBondContact O-CD 3.38Å
249	K	86.5	Confident	85.2	Confident	178 Å²	178	144.9 Å²	144.9	77%	0.774	74%	0.736	S	S	*	*			trans	-91.2	108.3	169	-71	-175.1	179.2	-177.4	0	107.8	V247	V247-K249 PolarHBondContact O-N 3.11Å
250	P	85.9	Confident	84.7	Confident	91 Å²	91	147.3 Å²	147.3	59%	0.591	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-62.2	152	174.6	26	-32.4	0	0	0	110.2	F248	F248-P250 HydrophobicContact CD1-CB 4.45Å; F248-P250 HydrophobicContact CE1-CB 3.93Å; F248-P250 WeakPolarHBondContact O-CD 3.38Å
251	P	84.7	Confident	84.4	Confident	112 Å²	112	147.9 Å²	147.9	73%	0.727	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-54.7	143.8	172.3	-21.3	31.4	0	0	0	111.1	Q253	P251-Q253 PolarHBondContact O-N 2.91Å
252	R	85.5	Confident	84	Confident	234 Å²	234	150.9 Å²	150.9	88%	0.883	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-61.1	124.6	179.3	-145.1	177.3	-170.8	147.3	-0.9	108.9
253	Q	81.4	Confident	83.6	Confident	173 Å²	173	149.9 Å²	149.9	81%	0.808	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-68.6	139.8	172.8	-74.1	-173.8	-24.7	0	0	109.3	P251 E255	P251-Q253 PolarHBondContact O-N 2.91Å; Q253-E255 PolarHBondContact O-N 3.44Å
254	P	80.2	Confident	83.2	Confident	126 Å²	126	154.4 Å²	154.4	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-57.8	133.4	172.2	-19.1	30.4	0	0	0	110
255	E	82.7	Confident	82.9	Confident	174 Å²	174	155.8 Å²	155.8	81%	0.813	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.3	139.4	175	-72.1	171.6	-177.6	0	0	109.9	Q253	Q253-E255 PolarHBondContact O-N 3.44Å
256	A	78.4	Confident	82.7	Confident	88 Å²	88	154.2 Å²	154.2	73%	0.727	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68	144.2	175	0	0	0	0	0	109.9
257	P	75	Confident	82.5	Confident	112 Å²	112	151.8 Å²	151.8	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-61.8	145.8	177.7	-10.9	23.5	0	0	0	110.7
258	P	80.7	Confident	82.1	Confident	130 Å²	130	154.7 Å²	154.7	84%	0.844	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.3	138.9	172.7	26.5	-31.9	0	0	0	110.4
259	E	76.5	Confident	81.6	Confident	270 Å²	270	153.5 Å²	153.5	100%	1.262	82%	0.816	S	S	*	*			trans	-64.4	0	175.3	-71	-175.3	166.6	0	0	113

Retrieved 259 of 259 residues in 72.3 ms (Link to these results)

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