A0A077Z056_TRITR Loading...

Histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A077Z056, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 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	37.8	Very low	34.2	Very low	243 Å²	243	148.3 Å²	148.3	100%	1.197	80%	0.802	S	S	*	*				0	86.2	0	-67.3	-178.4	-180	0	0	106.4
2	V	38.2	Very low	34.5	Very low	139 Å²	139	143.2 Å²	143.2	84%	0.842	79%	0.786	S	S	*	*			trans	-116.7	107.5	172.7	-176.4	0	0	0	0	103.3	E4	V2-E4 PolarHBondContact O-N 3.34Å
3	D	34.9	Very low	35.1	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	78%	0.782	S	S	*	*			trans	-73.8	107	-175.2	-165.9	-11.3	0	0	0	108.1	S5	D3-S5 VanDerWaalsContact C-N 3.32Å; D3-S5 PolarHBondContact O-N 3.06Å; D3-S5 PolarHBondContact OD1-OG 2.86Å
4	E	34.8	Very low	35.8	Very low	196 Å²	196	137.6 Å²	137.6	92%	0.916	76%	0.764	S	S	*	*			trans	-87.9	72.6	171.2	-72.3	-174	163	0	0	108.6	V2	V2-E4 PolarHBondContact O-N 3.34Å
5	S	33.2	Very low	36.8	Very low	77 Å²	77	133.1 Å²	133.1	54%	0.538	75%	0.752	S	S	.	*			trans	-144.9	98.8	169.3	61.3	0	0	0	0	110.3	D3	D3-S5 VanDerWaalsContact C-N 3.32Å; D3-S5 PolarHBondContact O-N 3.06Å; D3-S5 PolarHBondContact OD1-OG 2.86Å
6	E	32.4	Very low	37.7	Very low	173 Å²	173	128.8 Å²	128.8	81%	0.808	73%	0.726	S	S	*	*			trans	174.6	63.5	148.9	-96.7	174.3	-158	0	0	108.7	L8	E6-L8 PolarHBondContact O-N 3.48Å
7	T	32.1	Very low	38.6	Very low	134 Å²	134	128.4 Å²	128.4	82%	0.822	72%	0.721	S	S	*	*			trans	-75.6	88.6	154.5	33.2	0	0	0	0	106.5	T9	T7-T9 VanDerWaalsContact C-N 3.25Å; T7-T9 PolarHBondContact O-N 3.02Å
8	L	31.1	Very low	39.4	Very low	150 Å²	150	127.6 Å²	127.6	79%	0.785	72%	0.722	S	S	*	*			trans	-58.2	89.7	168.8	-83.7	141.8	0	0	0	108.8	E6 C10	E6-L8 PolarHBondContact O-N 3.48Å; L8-C10 VanDerWaalsContact C-N 3.33Å; L8-C10 PolarHBondContact O-N 3.1Å
9	T	33.1	Very low	40.3	Very low	109 Å²	109	121.7 Å²	121.7	67%	0.669	69%	0.691	S	S	*	*			trans	-67.6	99.2	162.8	49.4	0	0	0	0	106.1	T7 E11	T7-T9 VanDerWaalsContact C-N 3.25Å; T7-T9 PolarHBondContact O-N 3.02Å; T9-E11 PolarHBondContact O-N 3.43Å
10	C	34.2	Very low	41	Very low	115 Å²	115	119.7 Å²	119.7	78%	0.777	70%	0.698	S	S	*	*			trans	-68.3	68.3	171.1	-168.2	0	0	0	0	108.9	L8 S12	L8-C10 VanDerWaalsContact C-N 3.33Å; L8-C10 PolarHBondContact O-N 3.1Å; C10-S12 PolarHBondContact O-N 3.04Å
11	E	35.1	Very low	42	Very low	158 Å²	158	115.9 Å²	115.9	74%	0.738	68%	0.675	S	S	*	*			trans	-87.5	62	162.6	-69.9	-170.2	169.8	0	0	107.3	T9 V13	T9-E11 PolarHBondContact O-N 3.43Å; E11-V13 HydrophobicContact CB-CG2 4.21Å; E11-V13 PolarHBondContact O-N 2.86Å
12	S	37.7	Very low	43.8	Very low	87 Å²	87	110 Å²	110	61%	0.608	66%	0.657	S	S	*	*			trans	-71.3	79	158.5	60	0	0	0	0	106.6	C10 V14	C10-S12 PolarHBondContact O-N 3.04Å; S12-V14 PolarHBondContact O-N 2.67Å
13	V	41.8	Very low	46	Very low	121 Å²	121	107.6 Å²	107.6	73%	0.733	64%	0.636	S	S	*	*			trans	-66.4	90	170	-176.2	0	0	0	0	105.7	E11 A15	E11-V13 HydrophobicContact CB-CG2 4.21Å; E11-V13 PolarHBondContact O-N 2.86Å; V13-A15 PolarHBondContact O-N 3.49Å
14	V	45	Very low	48.6	Very low	87 Å²	87	101.3 Å²	101.3	53%	0.527	60%	0.603	S	S	.	*			trans	-64.8	106.3	174.8	-177.4	0	0	0	0	106.3	S12 T89	S12-V14 PolarHBondContact O-N 2.67Å; V14-T89 HydrophobicContact CB-CG2 3.98Å; V14-T89 HydrophobicContact CG1-CG2 3.63Å
15	A	50.2	Low	51.3	Low	70 Å²	70	94.5 Å²	94.5	58%	0.579	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-61.4	137.7	-168.8	0	0	0	0	0	112	V13 L17	V13-A15 PolarHBondContact O-N 3.49Å; A15-L17 PolarHBondContact O-N 3.49Å
16	D	51.1	Low	54.1	Low	65 Å²	65	95.5 Å²	95.5	35%	0.348	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-53.4	125.2	167.9	-63.4	-44.3	0	0	0	108.9	K86 R88	D16-K86 HydrophobicContact CB-CB 4.41Å; D16-R88 VanDerWaalsContact OD1-CD 3.24Å; D16-R88 WeakPolarHBondContact OD1-CD 3.32Å; D16-R88 IonicContact OD1-CZ 2.73Å; D16-R88 IonicContact OD1-NE 2.99Å; D16-R88 IonicContact OD1-NH1 3.4Å; D16-R88 PolarHBondContact OD1-NH1 2.73Å; D16-R88 IonicContact OD2-CZ 3.3Å; D16-R88 IonicContact OD2-NH1 3.05Å; D16-R88 PolarHBondContact OD2-NH1 2.92Å
17	L	53.4	Low	56.7	Low	121 Å²	121	88.9 Å²	88.9	63%	0.634	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.2	133.4	177.2	-69.5	168.5	0	0	0	108.9	A15 A19 R87	A15-L17 PolarHBondContact O-N 3.49Å; L17-A19 PolarHBondContact O-N 3.07Å; L17-R87 PolarHBondContact O-N 3.37Å
18	P	52.6	Low	59.5	Low	115 Å²	115	85 Å²	85	75%	0.747	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	115.5	168.9	24.6	-30.6	0	0	0	107.9	G20	P18-G20 PolarHBondContact O-N 2.8Å
19	A	56.6	Low	62.4	Low	16 Å²	16	79.4 Å²	79.4	13%	0.132	49%	0.492	C	S	.	.			trans	-81.3	105.1	175.9	0	0	0	0	0	106.3	L17 D21 Y84 T85 R87	L17-A19 PolarHBondContact O-N 3.07Å; A19-D21 HydrophobicContact CB-CB 4.15Å; A19-D21 WeakPolarHBondContact CB-OD2 3.37Å; A19-D21 PolarHBondContact O-N 3.06Å; A19-Y84 WeakPolarHBondContact CB-O 3.28Å; A19-T85 WeakPolarHBondContact CB-O 3.36Å; A19-T85 PolarHBondContact N-O 3.34Å; A19-R87 HydrophobicContact CB-CG 4.02Å
20	G	53.9	Low	65.2	Low	80 Å²	80	74.3 Å²	74.3	83%	0.825	46%	0.461	S	S	*	.			trans	-67.6	21.2	164.9	0	0	0	0	0	112.7	P18	P18-G20 PolarHBondContact O-N 2.8Å
21	D	62.9	Low	67.9	Low	40 Å²	40	69.2 Å²	69.2	21%	0.214	43%	0.426	C	S	.	.			trans	-81	132.7	-170.9	-63.5	-29.2	0	0	0	109.9	A19 E23 Y30 R87	A19-D21 HydrophobicContact CB-CB 4.15Å; A19-D21 WeakPolarHBondContact CB-OD2 3.37Å; A19-D21 PolarHBondContact O-N 3.06Å; D21-E23 VanDerWaalsContact C-N 3.32Å; D21-Y30 PolarHBondContact OD2-OH 3.21Å; D21-R87 VanDerWaalsContact CG-NH2 3.28Å; D21-R87 IonicContact OD1-CZ 3.23Å; D21-R87 IonicContact OD1-NE 2.75Å; D21-R87 IonicContact OD1-NH2 2.91Å; D21-R87 PolarHBondContact OD1-NH2 3.17Å; D21-R87 IonicContact OD2-CZ 2.63Å; D21-R87 VanDerWaalsContact OD2-CZ 3.23Å; D21-R87 IonicContact OD2-NE 3.41Å; D21-R87 PolarHBondContact OD2-NE 2.95Å; D21-R87 IonicContact OD2-NH2 2.83Å; D21-R87 PolarHBondContact OD2-NH2 3.46Å
22	C	74.8	Confident	70.6	Confident	121 Å²	121	61.8 Å²	61.8	82%	0.818	39%	0.392	S	S	*	.	S	Bend	trans	-80.7	-15.3	173.6	-59.5	0	0	0	0	112.9	Y84	C22-Y84 WeakPolarHBondContact O-CE2 3.27Å
23	E	86	Confident	73	Confident	88 Å²	88	60.7 Å²	60.7	41%	0.411	38%	0.379	S	S	.	.	S	Bend	trans	-154.2	158.8	178.1	65.8	178.8	170.3	0	0	111.1	D21 V25 R51 Y62	D21-E23 VanDerWaalsContact C-N 3.32Å; E23-V25 PolarHBondContact O-N 3.03Å; E23-R51 IonicContact OE2-CZ 3.67Å; E23-R51 IonicContact OE2-NE 3.1Å; E23-R51 PolarHBondContact OE2-NE 3.47Å; E23-R51 IonicContact OE2-NH2 2.7Å; E23-R51 PolarHBondContact OE2-NH2 2.96Å; E23-Y62 PolarHBondContact OE2-OH 2.65Å
24	P	89.8	Confident	74.9	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.032	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-58.1	133.4	176.3	-20.3	27.3	0	0	0	113.6	Y30 V48 Y62 I82 Y84	P24-Y30 HydrophobicContact CB-CD2 4.42Å; P24-Y30 HydrophobicContact CB-CE2 4.15Å; P24-V48 HydrophobicContact CB-CG1 4.46Å; P24-V48 HydrophobicContact CB-CG2 4.11Å; P24-Y62 HydrophobicContact CB-CD1 4.08Å; P24-Y62 HydrophobicContact CB-CE1 3.91Å; P24-Y62 HydrophobicContact CB-CE2 4.39Å; P24-Y62 HydrophobicContact CB-CG 4.39Å; P24-Y62 HydrophobicContact CG-CD1 4.42Å; P24-Y62 HydrophobicContact CG-CD2 4.02Å; P24-Y62 HydrophobicContact CG-CE1 4.17Å; P24-Y62 HydrophobicContact CG-CE2 3.75Å; P24-Y62 HydrophobicContact CG-CG 4.36Å; P24-Y62 WeakPolarHBondContact O-CE1 3.48Å; P24-I82 HydrophobicContact CB-CG2 4.38Å; P24-I82 HydrophobicContact CG-CB 4.28Å; P24-I82 HydrophobicContact CG-CD1 4.25Å; P24-I82 HydrophobicContact CG-CG2 4.04Å; P24-Y84 HydrophobicContact CG-CD1 3.74Å; P24-Y84 HydrophobicContact CG-CG 3.97Å
25	V	90.2	Very high	75.8	Confident	52 Å²	52	55.4 Å²	55.4	32%	0.315	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-93	135.9	-179.9	179.5	0	0	0	0	111.5	E23 E28 Y30 V48	E23-V25 PolarHBondContact O-N 3.03Å; V25-E28 HydrophobicContact CB-CB 4.29Å; V25-E28 HydrophobicContact CB-CG 3.79Å; V25-E28 HydrophobicContact CG1-CG 3.73Å; V25-E28 WeakPolarHBondContact O-CB 3.33Å; V25-E28 PolarHBondContact O-N 2.73Å; V25-Y30 WeakPolarHBondContact CB-OH 3.31Å; V25-Y30 PolarHBondContact N-OH 2.95Å; V25-Y30 VanDerWaalsContact N-OH 3.11Å; V25-V48 WeakPolarHBondContact O-CB 3.4Å
26	I	91.4	Very high	76	Confident	98 Å²	98	56.1 Å²	56.1	50%	0.503	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	135.4	177.8	-64.4	170.9	0	0	0	110.3	E28 V48 I49 R51	I26-E28 VanDerWaalsContact C-N 3.28Å; I26-V48 CarbonylContact C-O 3.57Å; I26-V48 WeakPolarHBondContact CA-O 3.34Å; I26-V48 HydrophobicContact CG1-CG1 4.39Å; I26-I49 VanDerWaalsContact CG2-O 3.32Å; I26-I49 WeakPolarHBondContact CG2-O 3.45Å; I26-R51 HydrophobicContact CD1-CB 4.21Å
27	G	88.4	Confident	75.9	Confident	34 Å²	34	58.9 Å²	58.9	35%	0.351	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-8.5	-176.5	0	0	0	0	0	113.8	V48	G27-V48 PolarHBondContact N-O 3.09Å
28	E	90.7	Very high	75.4	Confident	53 Å²	53	56.7 Å²	56.7	25%	0.248	38%	0.377	C	S	.	.			trans	-97.6	163.3	-179.9	-59.8	-72.4	145	0	0	111.4	V25 I26 Y30 V48 R87	V25-E28 HydrophobicContact CB-CB 4.29Å; V25-E28 HydrophobicContact CB-CG 3.79Å; V25-E28 HydrophobicContact CG1-CG 3.73Å; V25-E28 WeakPolarHBondContact O-CB 3.33Å; V25-E28 PolarHBondContact O-N 2.73Å; I26-E28 VanDerWaalsContact C-N 3.28Å; E28-Y30 HydrophobicContact CB-CD2 4.48Å; E28-Y30 HydrophobicContact CB-CE2 3.69Å; E28-V48 PolarHBondContact O-N 2.93Å; E28-R87 IonicContact OE1-NH1 3.93Å; E28-R87 PolarHBondContact OE1-NH1 2.97Å; E28-R87 WeakPolarHBondContact OE2-CD 3.06Å; E28-R87 IonicContact OE2-CZ 3.84Å; E28-R87 IonicContact OE2-NE 2.88Å; E28-R87 IonicContact OE2-NH1 3.87Å; E28-R87 PolarHBondContact OE2-NH1 3.05Å
29	Y	91.7	Very high	75.2	Confident	33 Å²	33	62.8 Å²	62.8	13%	0.129	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.9	-177.1	-60.2	-96.9	0	0	0	111.2	R45 A46 E47 R88 N90	Y29-R45 HydrophobicContact CD1-CG 4.49Å; Y29-R45 VanDerWaalsContact CD2-NH2 3.26Å; Y29-R45 VanDerWaalsContact CE1-NH1 3.3Å; Y29-R45 VanDerWaalsContact CE1-NH2 3.3Å; Y29-R45 VanDerWaalsContact CG-CZ 3.42Å; Y29-A46 WeakPolarHBondContact CA-O 3.2Å; Y29-E47 HydrophobicContact CD1-CB 3.69Å; Y29-E47 HydrophobicContact CD1-CG 4.14Å; Y29-E47 HydrophobicContact CE1-CB 3.45Å; Y29-E47 VanDerWaalsContact CE1-CB 3.45Å; Y29-E47 HydrophobicContact CE1-CG 3.69Å; Y29-R88 PolarHBondContact O-N 2.6Å; Y29-N90 WeakPolarHBondContact CD2-OD1 3.37Å; Y29-N90 HydrophobicContact CE2-CB 4.21Å; Y29-N90 VanDerWaalsContact CE2-OD1 3.22Å; Y29-N90 WeakPolarHBondContact CE2-OD1 3.27Å
30	Y	91.7	Very high	75	Confident	1 Å²	1	68.4 Å²	68.4	0%	0.004	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	167.5	-178.3	-62.6	-79.9	0	0	0	110.8	D21 P24 V25 E28 R45 A46 V48 I82 Y84 K86 R87	D21-Y30 PolarHBondContact OD2-OH 3.21Å; P24-Y30 HydrophobicContact CB-CD2 4.42Å; P24-Y30 HydrophobicContact CB-CE2 4.15Å; V25-Y30 WeakPolarHBondContact CB-OH 3.31Å; V25-Y30 PolarHBondContact N-OH 2.95Å; V25-Y30 VanDerWaalsContact N-OH 3.11Å; E28-Y30 HydrophobicContact CB-CD2 4.48Å; E28-Y30 HydrophobicContact CB-CE2 3.69Å; Y30-R45 CarbonylContact O-C 3.6Å; Y30-R45 WeakPolarHBondContact O-CA 3.39Å; Y30-A46 PolarHBondContact N-O 3.48Å; Y30-A46 PolarHBondContact O-N 3.12Å; Y30-V48 HydrophobicContact CD2-CG2 3.66Å; Y30-V48 HydrophobicContact CE2-CG2 4.15Å; Y30-I82 HydrophobicContact CD2-CG2 4.46Å; Y30-I82 HydrophobicContact CG-CG2 4.14Å; Y30-Y84 VanDerWaalsContact CD1-CA 3.49Å; Y30-K86 WeakPolarHBondContact CD1-O 3.42Å; Y30-R87 HydrophobicContact CD1-CG 4.34Å; Y30-R87 HydrophobicContact CE1-CB 4.45Å; Y30-R87 HydrophobicContact CE1-CG 3.53Å
31	S	90.8	Very high	75.4	Confident	8 Å²	8	70.7 Å²	70.7	6%	0.056	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.5	170.4	-93	0	0	0	0	109.1	S43 D83 R88	S31-S43 VanDerWaalsContact CB-OG 3.26Å; S31-S43 WeakPolarHBondContact CB-OG 3.43Å; S31-D83 PolarHBondContact O-N 3.1Å; S31-R88 PolarHBondContact OG-NE 3.39Å; S31-R88 VanDerWaalsContact OG-NE 3.09Å; S31-R88 PolarHBondContact OG-NH2 2.85Å
32	A	91.7	Very high	76.2	Confident	2 Å²	2	75.2 Å²	75.2	2%	0.017	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.8	-176.9	0	0	0	0	0	112.9	S43 R44 A46 F66 L77 A81 I82	A32-S43 WeakPolarHBondContact O-CA 3.41Å; A32-R44 PolarHBondContact N-O 3.42Å; A32-R44 PolarHBondContact O-N 3.07Å; A32-A46 HydrophobicContact CB-CB 3.96Å; A32-F66 HydrophobicContact CB-CE1 3.96Å; A32-F66 HydrophobicContact CB-CZ 4.12Å; A32-F66 WeakPolarHBondContact O-CE1 3.4Å; A32-L77 HydrophobicContact CB-CD1 3.97Å; A32-A81 CarbonylContact C-O 3.54Å; A32-A81 VanDerWaalsContact CA-O 3.29Å; A32-A81 WeakPolarHBondContact CA-O 3.29Å; A32-I82 HydrophobicContact CB-CG1 4.14Å
33	I	88.9	Confident	76.7	Confident	64 Å²	64	72.4 Å²	72.4	33%	0.328	40%	0.398	S	S	.	.			trans	-119.3	122.9	179.8	-58	170.8	0	0	0	109.7	G35 A81	I33-G35 PolarHBondContact O-N 3.12Å; I33-G35 VanDerWaalsContact O-N 3.15Å; I33-A81 PolarHBondContact N-O 3.21Å
34	K	80.7	Confident	77	Confident	39 Å²	39	70.4 Å²	70.4	17%	0.17	39%	0.387	C	S	.	.			trans	-82.8	89.5	174.6	-171.5	171.8	-178.7	169	0	110	S36 F66 M73 V75	K34-S36 VanDerWaalsContact C-N 3.3Å; K34-S36 PolarHBondContact O-N 3.18Å; K34-F66 HydrophobicContact CB-CE2 4.02Å; K34-F66 HydrophobicContact CB-CZ 3.98Å; K34-F66 HydrophobicContact CD-CE2 4.34Å; K34-M73 PolarHBondContact NZ-O 3.19Å; K34-V75 HydrophobicContact CD-CG1 4.19Å; K34-V75 HydrophobicContact CG-CG1 4.38Å
35	G	63.9	Low	77	Confident	58 Å²	58	72 Å²	72	60%	0.598	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	52.7	-170.6	0	0	0	0	0	117.3	I33	I33-G35 PolarHBondContact O-N 3.12Å; I33-G35 VanDerWaalsContact O-N 3.15Å
36	S	55.2	Low	77.1	Confident	85 Å²	85	69.6 Å²	69.6	59%	0.594	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	-13.1	179.6	-43.4	0	0	0	0	119.6	K34	K34-S36 VanDerWaalsContact C-N 3.3Å; K34-S36 PolarHBondContact O-N 3.18Å
37	N	49.6	Very low	77.2	Confident	124 Å²	124	66.2 Å²	66.2	66%	0.663	36%	0.36	S	S	*	.	S	Bend	trans	-130.3	51.4	-173.6	-71.9	-8	0	0	0	113.8	W39	N37-W39 PolarHBondContact O-N 3.05Å
38	G	43.1	Very low	77.5	Confident	74 Å²	74	64.7 Å²	64.7	76%	0.763	34%	0.343	S	S	*	.	S	Bend	trans	52	-8.9	156	0	0	0	0	0	121.3
39	W	47.2	Very low	77.7	Confident	244 Å²	244	63 Å²	63	92%	0.924	34%	0.336	S	S	*	.	S	Bend	trans	-128.6	-10.6	-166.2	-78.5	64.2	0	0	0	112.2	N37	N37-W39 PolarHBondContact O-N 3.05Å
40	R	52	Low	77.8	Confident	133 Å²	133	62 Å²	62	50%	0.502	33%	0.334	S	S	.	.			trans	-141.4	75.2	173.9	-73	-172.4	175.5	174.3	-1.2	110.3	E42	R40-E42 PolarHBondContact O-N 3.1Å
41	N	63.2	Low	77.9	Confident	129 Å²	129	67.4 Å²	67.4	69%	0.69	35%	0.354	S	S	*	.			trans	-75.4	7	155.7	-78	-4.1	0	0	0	111.3	S43	N41-S43 PolarHBondContact O-N 3.21Å
42	E	79.5	Confident	78	Confident	134 Å²	134	68.3 Å²	68.3	63%	0.626	36%	0.357	S	S	*	.	S	Bend	trans	-68.3	123.1	172.9	-68.5	175.4	-177.5	0	0	109.8	R40 R44	R40-E42 PolarHBondContact O-N 3.1Å; E42-R44 PolarHBondContact O-N 3.32Å
43	S	86	Confident	78	Confident	62 Å²	62	73.3 Å²	73.3	43%	0.434	38%	0.382	S	S	.	.			trans	-65.5	122.7	169.4	-174.7	0	0	0	0	109.1	S31 A32 N41	S31-S43 VanDerWaalsContact CB-OG 3.26Å; S31-S43 WeakPolarHBondContact CB-OG 3.43Å; A32-S43 WeakPolarHBondContact O-CA 3.41Å; N41-S43 PolarHBondContact O-N 3.21Å
44	R	90.9	Very high	78	Confident	46 Å²	46	70.9 Å²	70.9	17%	0.174	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.1	179.5	-64.9	-171.4	-59.4	159.7	3.8	109.7	A32 E42 A46 F66 D69	A32-R44 PolarHBondContact N-O 3.42Å; A32-R44 PolarHBondContact O-N 3.07Å; E42-R44 PolarHBondContact O-N 3.32Å; R44-A46 PolarHBondContact O-N 2.94Å; R44-F66 HydrophobicContact CB-CD1 3.83Å; R44-F66 HydrophobicContact CB-CE1 4.18Å; R44-D69 IonicContact CZ-OD1 3.81Å; R44-D69 IonicContact CZ-OD2 3.96Å; R44-D69 VanDerWaalsContact NH1-CG 3.31Å; R44-D69 IonicContact NH1-OD1 3.73Å; R44-D69 PolarHBondContact NH1-OD1 3.39Å; R44-D69 IonicContact NH1-OD2 3.83Å; R44-D69 PolarHBondContact NH1-OD2 2.91Å; R44-D69 VanDerWaalsContact NH1-OD2 3.15Å; R44-D69 IonicContact NH2-OD1 3.38Å; R44-D69 IonicContact NH2-OD2 2.99Å; R44-D69 PolarHBondContact NH2-OD2 2.88Å
45	R	89.8	Confident	78.1	Confident	40 Å²	40	72.8 Å²	72.8	15%	0.151	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.5	172.8	-175.9	174	173.3	-74.7	-0.4	109.4	Y29 Y30 D67 R88 T89	Y29-R45 HydrophobicContact CD1-CG 4.49Å; Y29-R45 VanDerWaalsContact CD2-NH2 3.26Å; Y29-R45 VanDerWaalsContact CE1-NH1 3.3Å; Y29-R45 VanDerWaalsContact CE1-NH2 3.3Å; Y29-R45 VanDerWaalsContact CG-CZ 3.42Å; Y30-R45 CarbonylContact O-C 3.6Å; Y30-R45 WeakPolarHBondContact O-CA 3.39Å; R45-D67 VanDerWaalsContact CD-OD2 3.32Å; R45-D67 WeakPolarHBondContact CD-OD2 3.39Å; R45-D67 IonicContact CZ-OD1 3.4Å; R45-D67 IonicContact CZ-OD2 3.71Å; R45-D67 IonicContact NE-OD2 2.85Å; R45-D67 IonicContact NH1-OD1 3.73Å; R45-D67 PolarHBondContact NH1-OD1 3.02Å; R45-D67 IonicContact NH1-OD2 2.76Å; R45-D67 PolarHBondContact NH1-OD2 3.14Å; R45-D67 PolarHBondContact O-N 3.07Å; R45-R88 HydrophobicContact CG-CB 4.2Å; R45-R88 HydrophobicContact CG-CG 4.33Å; R45-T89 VanDerWaalsContact CZ-O 3.31Å; R45-T89 PolarHBondContact NE-O 3.49Å; R45-T89 VanDerWaalsContact NE-O 3.09Å; R45-T89 PolarHBondContact NH2-O 3.02Å
46	A	93	Very high	79.1	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.008	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.7	178.2	0	0	0	0	0	110.9	Y29 Y30 A32 R44 V64 H65 F66	Y29-A46 WeakPolarHBondContact CA-O 3.2Å; Y30-A46 PolarHBondContact N-O 3.48Å; Y30-A46 PolarHBondContact O-N 3.12Å; A32-A46 HydrophobicContact CB-CB 3.96Å; R44-A46 PolarHBondContact O-N 2.94Å; A46-V64 HydrophobicContact CB-CB 4.14Å; A46-V64 HydrophobicContact CB-CG2 4.39Å; A46-H65 CarbonylContact C-O 3.55Å; A46-H65 WeakPolarHBondContact CA-O 3.08Å; A46-H65 WeakPolarHBondContact CB-O 3.48Å; A46-F66 HydrophobicContact CB-CD1 3.78Å; A46-F66 HydrophobicContact CB-CE1 3.91Å; A46-F66 HydrophobicContact CB-CG 4.28Å; A46-F66 HydrophobicContact CB-CZ 4.48Å
47	E	94.3	Very high	80.6	Confident	27 Å²	27	73.2 Å²	73.2	13%	0.126	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.1	170	-168.2	-175.5	166.8	0	0	109.7	Y29 I49 V64 H65 R144	Y29-E47 HydrophobicContact CD1-CB 3.69Å; Y29-E47 HydrophobicContact CD1-CG 4.14Å; Y29-E47 HydrophobicContact CE1-CB 3.45Å; Y29-E47 VanDerWaalsContact CE1-CB 3.45Å; Y29-E47 HydrophobicContact CE1-CG 3.69Å; E47-I49 HydrophobicContact CB-CG1 4.46Å; E47-I49 HydrophobicContact CG-CG1 4.22Å; E47-V64 WeakPolarHBondContact O-CA 3.36Å; E47-V64 WeakPolarHBondContact O-CB 3.37Å; E47-H65 HydrophobicContact CB-CB 4.49Å; E47-H65 PolarHBondContact N-O 3.15Å; E47-H65 PolarHBondContact O-N 2.74Å; E47-H65 VanDerWaalsContact O-N 3.07Å; E47-R144 IonicContact OE1-CZ 2.71Å; E47-R144 IonicContact OE1-NH1 2.63Å; E47-R144 IonicContact OE1-NH2 2.98Å; E47-R144 PolarHBondContact OE1-NH2 3.21Å; E47-R144 IonicContact OE2-NH2 3.7Å; E47-R144 PolarHBondContact OE2-NH2 3.49Å
48	V	94.2	Very high	82.4	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.006	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.4	170.6	176.3	0	0	0	0	108.9	P24 V25 I26 G27 E28 Y30 Y62 V64 I82	P24-V48 HydrophobicContact CB-CG1 4.46Å; P24-V48 HydrophobicContact CB-CG2 4.11Å; V25-V48 WeakPolarHBondContact O-CB 3.4Å; I26-V48 CarbonylContact C-O 3.57Å; I26-V48 WeakPolarHBondContact CA-O 3.34Å; I26-V48 HydrophobicContact CG1-CG1 4.39Å; G27-V48 PolarHBondContact N-O 3.09Å; E28-V48 PolarHBondContact O-N 2.93Å; Y30-V48 HydrophobicContact CD2-CG2 3.66Å; Y30-V48 HydrophobicContact CE2-CG2 4.15Å; V48-Y62 HydrophobicContact CG1-CD1 3.67Å; V48-Y62 HydrophobicContact CG1-CE1 4.5Å; V48-Y62 HydrophobicContact CG1-CG 4.36Å; V48-V64 HydrophobicContact CG2-CG1 4.22Å; V48-I82 HydrophobicContact CG2-CD1 4.38Å
49	I	93.9	Very high	84.6	Confident	19 Å²	19	72.9 Å²	72.9	10%	0.097	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-37.6	-173.1	-63.5	172.5	0	0	0	111.6	I26 E47 F63 H65 R144 I145	I26-I49 VanDerWaalsContact CG2-O 3.32Å; I26-I49 WeakPolarHBondContact CG2-O 3.45Å; E47-I49 HydrophobicContact CB-CG1 4.46Å; E47-I49 HydrophobicContact CG-CG1 4.22Å; I49-F63 HydrophobicContact CB-CD1 4.04Å; I49-F63 HydrophobicContact CD1-CD1 4.31Å; I49-F63 HydrophobicContact CD1-CE1 4.42Å; I49-F63 HydrophobicContact CG2-CD1 4.11Å; I49-F63 PolarHBondContact N-O 2.88Å; I49-H65 HydrophobicContact CD1-CB 3.55Å; I49-R144 HydrophobicContact CG2-CG 4.2Å; I49-I145 HydrophobicContact CG2-CG1 4.03Å
50	A	94.2	Very high	86.7	Confident	10 Å²	10	63.1 Å²	63.1	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.4	-177.1	0	0	0	0	0	112.3	Y62 F63 W76 I145	A50-Y62 CarbonylContact O-C 3.59Å; A50-Y62 VanDerWaalsContact O-CA 3.24Å; A50-Y62 WeakPolarHBondContact O-CA 3.31Å; A50-F63 HydrophobicContact CB-CB 4.01Å; A50-F63 PolarHBondContact N-O 3.21Å; A50-F63 PolarHBondContact O-N 2.91Å; A50-W76 HydrophobicContact CB-CH2 3.92Å; A50-W76 HydrophobicContact CB-CZ3 4.41Å; A50-I145 HydrophobicContact CB-CD1 3.65Å; A50-I145 HydrophobicContact CB-CG1 4.1Å; A50-I145 HydrophobicContact CB-CG2 4.39Å
51	R	94.2	Very high	88.7	Confident	115 Å²	115	58 Å²	58	43%	0.434	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142	176	-179.2	-178	177.5	-79.4	6.5	110	E23 I26 V60 E61 Y62	E23-R51 IonicContact OE2-CZ 3.67Å; E23-R51 IonicContact OE2-NE 3.1Å; E23-R51 PolarHBondContact OE2-NE 3.47Å; E23-R51 IonicContact OE2-NH2 2.7Å; E23-R51 PolarHBondContact OE2-NH2 2.96Å; I26-R51 HydrophobicContact CD1-CB 4.21Å; R51-V60 HydrophobicContact CG-CG1 3.96Å; R51-E61 WeakPolarHBondContact CA-O 3.13Å; R51-Y62 HydrophobicContact CB-CD1 3.94Å; R51-Y62 HydrophobicContact CB-CE1 3.76Å; R51-Y62 HydrophobicContact CG-CD1 4.11Å; R51-Y62 HydrophobicContact CG-CE1 3.58Å; R51-Y62 PolarHBondContact NE-OH 3.47Å
52	R	92.3	Very high	90.3	Very high	28 Å²	28	51.9 Å²	51.9	11%	0.106	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.2	172.8	76.7	-178.6	-179.7	-171.1	-4.2	112.5	V60 E61 W76 Y147 S149	R52-V60 WeakPolarHBondContact O-CA 3.44Å; R52-E61 HydrophobicContact CG-CB 4.16Å; R52-E61 IonicContact CZ-OE2 3.78Å; R52-E61 VanDerWaalsContact CZ-OE2 3.23Å; R52-E61 PolarHBondContact N-O 2.97Å; R52-E61 IonicContact NE-OE2 2.78Å; R52-E61 PolarHBondContact NE-OE2 3.47Å; R52-E61 IonicContact NH2-OE2 3.21Å; R52-E61 PolarHBondContact NH2-OE2 3.31Å; R52-E61 PolarHBondContact O-N 3.16Å; R52-W76 HydrophobicContact CB-CE3 4.38Å; R52-W76 HydrophobicContact CB-CH2 3.87Å; R52-W76 HydrophobicContact CB-CZ3 3.67Å; R52-W76 HydrophobicContact CG-CD2 4.26Å; R52-W76 HydrophobicContact CG-CE3 3.57Å; R52-W76 HydrophobicContact CG-CH2 3.87Å; R52-W76 HydrophobicContact CG-CZ3 3.37Å; R52-W76 VanDerWaalsContact NH2-CG 3.26Å; R52-Y147 PolarHBondContact NH1-O 3.45Å; R52-S149 PolarHBondContact NH1-OG 3.39Å; R52-S149 PolarHBondContact NH2-OG 2.9Å
53	L	91.2	Very high	91.1	Very high	106 Å²	106	45.6 Å²	45.6	56%	0.555	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.8	160	-178.6	64.4	0	0	0	108.7	T55 K58 V60	L53-T55 PolarHBondContact O-N 2.87Å; L53-T55 VanDerWaalsContact O-N 3.16Å; L53-K58 WeakPolarHBondContact CD1-O 3.35Å; L53-V60 HydrophobicContact CD1-CG2 4.4Å
54	N	89.2	Confident	91.5	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.07	22%	0.215	C	C	.	.			trans	-67.7	116.7	177.7	-177.7	-40.4	0	0	0	109.7	H56 S57 K58 A59 E61	N54-H56 PolarHBondContact O-N 2.93Å; N54-H56 VanDerWaalsContact O-N 3.14Å; N54-H56 WeakPolarHBondContact OD1-CA 3.48Å; N54-H56 WeakPolarHBondContact OD1-CB 3.44Å; N54-H56 PolarHBondContact OD1-N 3.48Å; N54-S57 VanDerWaalsContact CB-OG 3.22Å; N54-S57 WeakPolarHBondContact CB-OG 3.41Å; N54-S57 PolarHBondContact OD1-N 3.31Å; N54-S57 VanDerWaalsContact OD1-N 3.08Å; N54-K58 WeakPolarHBondContact O-CA 3.35Å; N54-K58 PolarHBondContact O-N 3.26Å; N54-A59 WeakPolarHBondContact CB-O 3.43Å; N54-A59 PolarHBondContact N-O 3.43Å; N54-E61 HydrophobicContact CB-CG 4.23Å; N54-E61 VanDerWaalsContact ND2-CD 3.26Å; N54-E61 PolarHBondContact ND2-OE1 3.42Å; N54-E61 PolarHBondContact ND2-OE2 2.98Å; N54-E61 VanDerWaalsContact ND2-OE2 3.13Å
55	T	84	Confident	91.6	Very high	79 Å²	79	42.4 Å²	42.4	49%	0.485	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.3	-175.2	51.3	0	0	0	0	114	L53 K58 P174	L53-T55 PolarHBondContact O-N 2.87Å; L53-T55 VanDerWaalsContact O-N 3.16Å; T55-K58 WeakPolarHBondContact O-CE 3.44Å; T55-K58 PolarHBondContact O-NZ 2.67Å; T55-P174 WeakPolarHBondContact OG1-CD 3.49Å
56	H	83.7	Confident	91.7	Very high	86 Å²	86	40.6 Å²	40.6	40%	0.398	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-54.8	-179.6	-64.4	76.4	0	0	0	112.4	N54 K58	N54-H56 PolarHBondContact O-N 2.93Å; N54-H56 VanDerWaalsContact O-N 3.14Å; N54-H56 WeakPolarHBondContact OD1-CA 3.48Å; N54-H56 WeakPolarHBondContact OD1-CB 3.44Å; N54-H56 PolarHBondContact OD1-N 3.48Å; H56-K58 VanDerWaalsContact C-N 3.33Å
57	S	86.2	Confident	91.4	Very high	67 Å²	67	42 Å²	42	47%	0.469	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-14.7	-178.7	59.2	0	0	0	0	113.2	N54 A59	N54-S57 VanDerWaalsContact CB-OG 3.22Å; N54-S57 WeakPolarHBondContact CB-OG 3.41Å; N54-S57 PolarHBondContact OD1-N 3.31Å; N54-S57 VanDerWaalsContact OD1-N 3.08Å; S57-A59 PolarHBondContact O-N 2.94Å; S57-A59 VanDerWaalsContact O-N 3.15Å; S57-A59 PolarHBondContact OG-N 3.41Å
58	K	87.4	Confident	90.9	Very high	150 Å²	150	43.8 Å²	43.8	65%	0.652	24%	0.242	S	C	*	.			trans	59.1	15.1	-171.5	-53.8	-57.9	-172.6	-169.9	0	114	L53 N54 T55 H56	L53-K58 WeakPolarHBondContact CD1-O 3.35Å; N54-K58 WeakPolarHBondContact O-CA 3.35Å; N54-K58 PolarHBondContact O-N 3.26Å; T55-K58 WeakPolarHBondContact O-CE 3.44Å; T55-K58 PolarHBondContact O-NZ 2.67Å; H56-K58 VanDerWaalsContact C-N 3.33Å
59	A	89.8	Confident	90.6	Very high	40 Å²	40	45.3 Å²	45.3	33%	0.331	25%	0.25	S	C	.	.			trans	-94.7	151.9	176.3	0	0	0	0	0	111.3	N54 S57	N54-A59 WeakPolarHBondContact CB-O 3.43Å; N54-A59 PolarHBondContact N-O 3.43Å; S57-A59 PolarHBondContact O-N 2.94Å; S57-A59 VanDerWaalsContact O-N 3.15Å; S57-A59 PolarHBondContact OG-N 3.41Å
60	V	92.2	Very high	90.2	Very high	40 Å²	40	47.2 Å²	47.2	24%	0.242	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131	169.1	178.9	0	0	0	0	108.9	R51 R52 L53 Y62 T79	R51-V60 HydrophobicContact CG-CG1 3.96Å; R52-V60 WeakPolarHBondContact O-CA 3.44Å; L53-V60 HydrophobicContact CD1-CG2 4.4Å; V60-Y62 HydrophobicContact CG1-CE2 3.81Å; V60-T79 PolarHBondContact O-OG1 3.2Å
61	E	94.5	Very high	90	Very high	25 Å²	25	51.1 Å²	51.1	12%	0.117	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.9	178.6	-66	173.7	175.2	0	0	110.5	R51 R52 N54 W76 L77	R51-E61 WeakPolarHBondContact CA-O 3.13Å; R52-E61 HydrophobicContact CG-CB 4.16Å; R52-E61 IonicContact CZ-OE2 3.78Å; R52-E61 VanDerWaalsContact CZ-OE2 3.23Å; R52-E61 PolarHBondContact N-O 2.97Å; R52-E61 IonicContact NE-OE2 2.78Å; R52-E61 PolarHBondContact NE-OE2 3.47Å; R52-E61 IonicContact NH2-OE2 3.21Å; R52-E61 PolarHBondContact NH2-OE2 3.31Å; R52-E61 PolarHBondContact O-N 3.16Å; N54-E61 HydrophobicContact CB-CG 4.23Å; N54-E61 VanDerWaalsContact ND2-CD 3.26Å; N54-E61 PolarHBondContact ND2-OE1 3.42Å; N54-E61 PolarHBondContact ND2-OE2 2.98Å; N54-E61 VanDerWaalsContact ND2-OE2 3.13Å; E61-W76 HydrophobicContact CB-CB 4.33Å; E61-W76 HydrophobicContact CB-CE3 4.06Å; E61-L77 CarbonylContact C-O 3.59Å; E61-L77 WeakPolarHBondContact CA-O 3.45Å; E61-L77 WeakPolarHBondContact CB-O 3.45Å
62	Y	95.4	Very high	89.8	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.9	178.9	-66.5	-87.9	0	0	0	110.3	E23 P24 V48 A50 R51 V60 W76 L77 T79 I82	E23-Y62 PolarHBondContact OE2-OH 2.65Å; P24-Y62 HydrophobicContact CB-CD1 4.08Å; P24-Y62 HydrophobicContact CB-CE1 3.91Å; P24-Y62 HydrophobicContact CB-CE2 4.39Å; P24-Y62 HydrophobicContact CB-CG 4.39Å; P24-Y62 HydrophobicContact CG-CD1 4.42Å; P24-Y62 HydrophobicContact CG-CD2 4.02Å; P24-Y62 HydrophobicContact CG-CE1 4.17Å; P24-Y62 HydrophobicContact CG-CE2 3.75Å; P24-Y62 HydrophobicContact CG-CG 4.36Å; P24-Y62 WeakPolarHBondContact O-CE1 3.48Å; V48-Y62 HydrophobicContact CG1-CD1 3.67Å; V48-Y62 HydrophobicContact CG1-CE1 4.5Å; V48-Y62 HydrophobicContact CG1-CG 4.36Å; A50-Y62 CarbonylContact O-C 3.59Å; A50-Y62 VanDerWaalsContact O-CA 3.24Å; A50-Y62 WeakPolarHBondContact O-CA 3.31Å; R51-Y62 HydrophobicContact CB-CD1 3.94Å; R51-Y62 HydrophobicContact CB-CE1 3.76Å; R51-Y62 HydrophobicContact CG-CD1 4.11Å; R51-Y62 HydrophobicContact CG-CE1 3.58Å; R51-Y62 PolarHBondContact NE-OH 3.47Å; V60-Y62 HydrophobicContact CG1-CE2 3.81Å; Y62-W76 CarbonylContact O-C 3.48Å; Y62-W76 VanDerWaalsContact O-CA 3.31Å; Y62-W76 WeakPolarHBondContact O-CA 3.4Å; Y62-L77 PolarHBondContact N-O 2.92Å; Y62-L77 PolarHBondContact O-N 3.35Å; Y62-T79 HydrophobicContact CE2-CG2 4.16Å; Y62-T79 WeakPolarHBondContact CE2-OG1 3.27Å; Y62-I82 HydrophobicContact CD2-CD1 4.08Å; Y62-I82 HydrophobicContact CG-CD1 4.03Å
63	F	95.8	Very high	89.7	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.9	172.9	-167.8	-117.5	0	0	0	108.4	I49 A50 D74 V75 W76 R144 I145 K146	I49-F63 HydrophobicContact CB-CD1 4.04Å; I49-F63 HydrophobicContact CD1-CD1 4.31Å; I49-F63 HydrophobicContact CD1-CE1 4.42Å; I49-F63 HydrophobicContact CG2-CD1 4.11Å; I49-F63 PolarHBondContact N-O 2.88Å; A50-F63 HydrophobicContact CB-CB 4.01Å; A50-F63 PolarHBondContact N-O 3.21Å; A50-F63 PolarHBondContact O-N 2.91Å; F63-D74 HydrophobicContact CE1-CB 3.98Å; F63-D74 HydrophobicContact CE2-CB 3.89Å; F63-D74 HydrophobicContact CZ-CB 3.37Å; F63-V75 WeakPolarHBondContact CA-O 3.3Å; F63-W76 HydrophobicContact CB-CD2 3.78Å; F63-W76 HydrophobicContact CB-CE3 3.74Å; F63-W76 HydrophobicContact CB-CH2 3.72Å; F63-W76 HydrophobicContact CB-CZ2 3.77Å; F63-W76 HydrophobicContact CB-CZ3 3.69Å; F63-W76 AromaticContact CD2-CD1 3.56Å; F63-W76 AromaticContact CD2-CD2 3.9Å; F63-W76 HydrophobicContact CD2-CD2 3.9Å; F63-W76 AromaticContact CD2-CE2 3.62Å; F63-W76 AromaticContact CD2-CG 3.92Å; F63-W76 HydrophobicContact CD2-CG 3.92Å; F63-W76 HydrophobicContact CD2-CZ2 4.24Å; F63-W76 AromaticContact CD2-NE1 3.39Å; F63-W76 AromaticContact CE2-NE1 3.94Å; F63-W76 HydrophobicContact CG-CD2 4.28Å; F63-W76 AromaticContact CG-CE2 3.96Å; F63-W76 HydrophobicContact CG-CZ2 4.15Å; F63-R144 VanDerWaalsContact CE1-O 3.29Å; F63-R144 WeakPolarHBondContact CE1-O 3.48Å; F63-I145 HydrophobicContact CD1-CG1 4.39Å; F63-I145 HydrophobicContact CD1-CG2 4.35Å; F63-K146 HydrophobicContact CE2-CB 4.02Å; F63-K146 HydrophobicContact CZ-CB 3.89Å
64	V	95.2	Very high	89.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.6	-174.9	-53.2	0	0	0	0	112.1	A46 E47 V48 F66 D74 V75 L77 I82	A46-V64 HydrophobicContact CB-CB 4.14Å; A46-V64 HydrophobicContact CB-CG2 4.39Å; E47-V64 WeakPolarHBondContact O-CA 3.36Å; E47-V64 WeakPolarHBondContact O-CB 3.37Å; V48-V64 HydrophobicContact CG2-CG1 4.22Å; V64-F66 HydrophobicContact CG2-CD2 4.36Å; V64-F66 HydrophobicContact CG2-CE2 3.83Å; V64-F66 HydrophobicContact CG2-CZ 4.24Å; V64-D74 WeakPolarHBondContact O-CA 3Å; V64-V75 HydrophobicContact CG2-CG1 4.08Å; V64-V75 PolarHBondContact N-O 2.99Å; V64-V75 PolarHBondContact O-N 3.35Å; V64-L77 HydrophobicContact CG2-CD1 3.52Å; V64-L77 HydrophobicContact CG2-CG 3.83Å; V64-I82 HydrophobicContact CG1-CD1 3.92Å
65	H	93.5	Very high	90	Very high	41 Å²	41	46.8 Å²	46.8	19%	0.19	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	168.6	173.9	70.9	0	0	0	109	A46 E47 I49 D69 D74	A46-H65 CarbonylContact C-O 3.55Å; A46-H65 WeakPolarHBondContact CA-O 3.08Å; A46-H65 WeakPolarHBondContact CB-O 3.48Å; E47-H65 HydrophobicContact CB-CB 4.49Å; E47-H65 PolarHBondContact N-O 3.15Å; E47-H65 PolarHBondContact O-N 2.74Å; E47-H65 VanDerWaalsContact O-N 3.07Å; I49-H65 HydrophobicContact CD1-CB 3.55Å; H65-D69 PolarHBondContact CE1-O 3.49Å; H65-D69 VanDerWaalsContact CE1-O 3.28Å; H65-D74 IonicContact CE1-OD1 2.89Å; H65-D74 IonicContact CG-OD1 2.78Å; H65-D74 IonicContact ND1-OD1 3.73Å; H65-D74 PolarHBondContact ND1-OD1 2.75Å; H65-D74 IonicContact ND1-OD2 2.7Å
66	F	91.7	Very high	90.5	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136	177.2	-74.9	-83	0	0	0	110.5	A32 K34 R44 A46 V64 G68 D69 V75 L77	A32-F66 HydrophobicContact CB-CE1 3.96Å; A32-F66 HydrophobicContact CB-CZ 4.12Å; A32-F66 WeakPolarHBondContact O-CE1 3.4Å; K34-F66 HydrophobicContact CB-CE2 4.02Å; K34-F66 HydrophobicContact CB-CZ 3.98Å; K34-F66 HydrophobicContact CD-CE2 4.34Å; R44-F66 HydrophobicContact CB-CD1 3.83Å; R44-F66 HydrophobicContact CB-CE1 4.18Å; A46-F66 HydrophobicContact CB-CD1 3.78Å; A46-F66 HydrophobicContact CB-CE1 3.91Å; A46-F66 HydrophobicContact CB-CG 4.28Å; A46-F66 HydrophobicContact CB-CZ 4.48Å; V64-F66 HydrophobicContact CG2-CD2 4.36Å; V64-F66 HydrophobicContact CG2-CE2 3.83Å; V64-F66 HydrophobicContact CG2-CZ 4.24Å; F66-G68 PolarHBondContact O-N 3.31Å; F66-D69 HydrophobicContact CB-CB 4.17Å; F66-D69 WeakPolarHBondContact CB-OD2 3.36Å; F66-D69 WeakPolarHBondContact O-CB 3.21Å; F66-D69 PolarHBondContact O-N 3.38Å; F66-D69 VanDerWaalsContact O-N 3.11Å; F66-V75 HydrophobicContact CE2-CG1 3.98Å; F66-L77 HydrophobicContact CE2-CD1 4.32Å; F66-L77 HydrophobicContact CZ-CD1 3.94Å
67	D	87.5	Confident	91	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.171	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	130.7	174.3	-86.4	23.4	0	0	0	112	R45 D69 S92 E94	R45-D67 VanDerWaalsContact CD-OD2 3.32Å; R45-D67 WeakPolarHBondContact CD-OD2 3.39Å; R45-D67 IonicContact CZ-OD1 3.4Å; R45-D67 IonicContact CZ-OD2 3.71Å; R45-D67 IonicContact NE-OD2 2.85Å; R45-D67 IonicContact NH1-OD1 3.73Å; R45-D67 PolarHBondContact NH1-OD1 3.02Å; R45-D67 IonicContact NH1-OD2 2.76Å; R45-D67 PolarHBondContact NH1-OD2 3.14Å; R45-D67 PolarHBondContact O-N 3.07Å; D67-D69 PolarHBondContact O-N 3.06Å; D67-S92 WeakPolarHBondContact OD2-CB 3.37Å; D67-S92 PolarHBondContact OD2-OG 3.36Å; D67-S92 VanDerWaalsContact OD2-OG 3.05Å; D67-E94 WeakPolarHBondContact CB-OE2 3.43Å
68	G	83	Confident	91.3	Very high	64 Å²	64	39.5 Å²	39.5	66%	0.66	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	-5.7	178	0	0	0	0	0	115.7	F66 E94	F66-G68 PolarHBondContact O-N 3.31Å; G68-E94 PolarHBondContact N-OE2 3.15Å; G68-E94 VanDerWaalsContact N-OE2 3.09Å
69	D	87.5	Confident	91.5	Very high	32 Å²	32	34.2 Å²	34.2	17%	0.171	19%	0.194	C	C	.	.			trans	-84.1	155.1	176.4	-75	-2.5	0	0	0	111.4	R44 H65 F66 D67 M73	R44-D69 IonicContact CZ-OD1 3.81Å; R44-D69 IonicContact CZ-OD2 3.96Å; R44-D69 VanDerWaalsContact NH1-CG 3.31Å; R44-D69 IonicContact NH1-OD1 3.73Å; R44-D69 PolarHBondContact NH1-OD1 3.39Å; R44-D69 IonicContact NH1-OD2 3.83Å; R44-D69 PolarHBondContact NH1-OD2 2.91Å; R44-D69 VanDerWaalsContact NH1-OD2 3.15Å; R44-D69 IonicContact NH2-OD1 3.38Å; R44-D69 IonicContact NH2-OD2 2.99Å; R44-D69 PolarHBondContact NH2-OD2 2.88Å; H65-D69 PolarHBondContact CE1-O 3.49Å; H65-D69 VanDerWaalsContact CE1-O 3.28Å; F66-D69 HydrophobicContact CB-CB 4.17Å; F66-D69 WeakPolarHBondContact CB-OD2 3.36Å; F66-D69 WeakPolarHBondContact O-CB 3.21Å; F66-D69 PolarHBondContact O-N 3.38Å; F66-D69 VanDerWaalsContact O-N 3.11Å; D67-D69 PolarHBondContact O-N 3.06Å; D69-M73 HydrophobicContact CB-CB 3.95Å; D69-M73 HydrophobicContact CB-CG 4.23Å
70	D	86.9	Confident	91.5	Very high	60 Å²	60	39.1 Å²	39.1	32%	0.321	22%	0.215	S	C	.	.			trans	-71.8	146.8	169.2	-177.3	-73.7	0	0	0	110.5	R72 M73	D70-R72 PolarHBondContact O-N 3.4Å; D70-R72 WeakPolarHBondContact OD1-CB 3.21Å; D70-R72 WeakPolarHBondContact OD1-CD 3.17Å; D70-R72 WeakPolarHBondContact OD1-CG 3.29Å; D70-R72 PolarHBondContact OD1-N 2.83Å; D70-R72 IonicContact OD1-NE 3.93Å; D70-M73 WeakPolarHBondContact O-CA 3.38Å; D70-M73 WeakPolarHBondContact O-CB 2.91Å; D70-M73 WeakPolarHBondContact O-CG 3.04Å; D70-M73 PolarHBondContact O-N 3.26Å
71	R	88.2	Confident	91.5	Very high	91 Å²	91	38.2 Å²	38.2	34%	0.343	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-52.7	-25.8	177.6	-72.3	-171.5	-95.4	-161.5	-9.8	114.2	M73 D74 E140	R71-M73 PolarHBondContact O-N 3.38Å; R71-M73 VanDerWaalsContact O-N 3.13Å; R71-D74 WeakPolarHBondContact O-CB 3.47Å; R71-D74 VanDerWaalsContact O-CG 3.24Å; R71-D74 PolarHBondContact O-N 3.27Å; R71-D74 VanDerWaalsContact O-N 3.14Å; R71-E140 IonicContact CZ-OE2 2.69Å; R71-E140 VanDerWaalsContact CZ-OE2 3.26Å; R71-E140 VanDerWaalsContact NH1-CD 3.3Å; R71-E140 IonicContact NH1-OE2 3.98Å; R71-E140 PolarHBondContact NH1-OE2 3.45Å; R71-E140 VanDerWaalsContact NH2-CD 3.28Å; R71-E140 IonicContact NH2-OE1 2.77Å; R71-E140 IonicContact NH2-OE2 3.95Å; R71-E140 PolarHBondContact NH2-OE2 2.75Å
72	R	90.1	Very high	91.4	Very high	54 Å²	54	37.3 Å²	37.3	20%	0.204	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-55	-28.3	171.3	-67.2	167.1	-178	155.6	16.7	112.2	D70 W161 Y162 D328	D70-R72 PolarHBondContact O-N 3.4Å; D70-R72 WeakPolarHBondContact OD1-CB 3.21Å; D70-R72 WeakPolarHBondContact OD1-CD 3.17Å; D70-R72 WeakPolarHBondContact OD1-CG 3.29Å; D70-R72 PolarHBondContact OD1-N 2.83Å; D70-R72 IonicContact OD1-NE 3.93Å; R72-W161 HydrophobicContact CB-CB 4.25Å; R72-W161 HydrophobicContact CB-CG 4.33Å; R72-W161 HydrophobicContact CG-CB 4.03Å; R72-W161 HydrophobicContact CG-CG 4.26Å; R72-Y162 HydrophobicContact CG-CE1 4.02Å; R72-Y162 HydrophobicContact CG-CE2 4.09Å; R72-Y162 WeakPolarHBondContact CG-OH 2.88Å; R72-Y162 PolarHBondContact NE-OH 3.03Å; R72-Y162 PolarHBondContact NH2-OH 2.98Å; R72-D328 IonicContact CZ-OD2 3.37Å; R72-D328 IonicContact NH1-OD2 2.87Å; R72-D328 PolarHBondContact NH1-OD2 3.18Å; R72-D328 VanDerWaalsContact NH1-OD2 3.07Å; R72-D328 IonicContact NH2-OD2 3.15Å; R72-D328 PolarHBondContact NH2-OD2 2.69Å
73	M	90.5	Very high	91.1	Very high	82 Å²	82	40.5 Å²	40.5	40%	0.404	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-85.9	-11.8	-176.3	-58.2	-59.1	-75.7	0	0	113.9	K34 D69 D70 R71	K34-M73 PolarHBondContact NZ-O 3.19Å; D69-M73 HydrophobicContact CB-CB 3.95Å; D69-M73 HydrophobicContact CB-CG 4.23Å; D70-M73 WeakPolarHBondContact O-CA 3.38Å; D70-M73 WeakPolarHBondContact O-CB 2.91Å; D70-M73 WeakPolarHBondContact O-CG 3.04Å; D70-M73 PolarHBondContact O-N 3.26Å; R71-M73 PolarHBondContact O-N 3.38Å; R71-M73 VanDerWaalsContact O-N 3.13Å
74	D	93.6	Very high	90.6	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.043	24%	0.236	C	C	.	.			trans	-57.9	139.5	177.9	-62.3	-3.5	0	0	0	110.6	F63 V64 H65 R71 K146	F63-D74 HydrophobicContact CE1-CB 3.98Å; F63-D74 HydrophobicContact CE2-CB 3.89Å; F63-D74 HydrophobicContact CZ-CB 3.37Å; V64-D74 WeakPolarHBondContact O-CA 3Å; H65-D74 IonicContact CE1-OD1 2.89Å; H65-D74 IonicContact CG-OD1 2.78Å; H65-D74 IonicContact ND1-OD1 3.73Å; H65-D74 PolarHBondContact ND1-OD1 2.75Å; H65-D74 IonicContact ND1-OD2 2.7Å; R71-D74 WeakPolarHBondContact O-CB 3.47Å; R71-D74 VanDerWaalsContact O-CG 3.24Å; R71-D74 PolarHBondContact O-N 3.27Å; R71-D74 VanDerWaalsContact O-N 3.14Å; D74-K146 WeakPolarHBondContact O-CE 3.17Å; D74-K146 PolarHBondContact O-NZ 3.3Å
75	V	94	Very high	90	Very high	28 Å²	28	47.3 Å²	47.3	17%	0.17	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.9	-164	63.9	0	0	0	0	111.6	K34 F63 V64 F66 L77	K34-V75 HydrophobicContact CD-CG1 4.19Å; K34-V75 HydrophobicContact CG-CG1 4.38Å; F63-V75 WeakPolarHBondContact CA-O 3.3Å; V64-V75 HydrophobicContact CG2-CG1 4.08Å; V64-V75 PolarHBondContact N-O 2.99Å; V64-V75 PolarHBondContact O-N 3.35Å; F66-V75 HydrophobicContact CE2-CG1 3.98Å; V75-L77 HydrophobicContact CG1-CD2 3.84Å; V75-L77 HydrophobicContact CG1-CG 4.01Å; V75-L77 HydrophobicContact CG2-CD2 4.38Å
76	W	94.4	Very high	89.3	Confident	18 Å²	18	50.3 Å²	50.3	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.6	167.5	-68.1	88.4	0	0	0	109.5	A50 R52 E61 Y62 F63 I145 K146 Y147	A50-W76 HydrophobicContact CB-CH2 3.92Å; A50-W76 HydrophobicContact CB-CZ3 4.41Å; R52-W76 HydrophobicContact CB-CE3 4.38Å; R52-W76 HydrophobicContact CB-CH2 3.87Å; R52-W76 HydrophobicContact CB-CZ3 3.67Å; R52-W76 HydrophobicContact CG-CD2 4.26Å; R52-W76 HydrophobicContact CG-CE3 3.57Å; R52-W76 HydrophobicContact CG-CH2 3.87Å; R52-W76 HydrophobicContact CG-CZ3 3.37Å; R52-W76 VanDerWaalsContact NH2-CG 3.26Å; E61-W76 HydrophobicContact CB-CB 4.33Å; E61-W76 HydrophobicContact CB-CE3 4.06Å; Y62-W76 CarbonylContact O-C 3.48Å; Y62-W76 VanDerWaalsContact O-CA 3.31Å; Y62-W76 WeakPolarHBondContact O-CA 3.4Å; F63-W76 HydrophobicContact CB-CD2 3.78Å; F63-W76 HydrophobicContact CB-CE3 3.74Å; F63-W76 HydrophobicContact CB-CH2 3.72Å; F63-W76 HydrophobicContact CB-CZ2 3.77Å; F63-W76 HydrophobicContact CB-CZ3 3.69Å; F63-W76 AromaticContact CD2-CD1 3.56Å; F63-W76 AromaticContact CD2-CD2 3.9Å; F63-W76 HydrophobicContact CD2-CD2 3.9Å; F63-W76 AromaticContact CD2-CE2 3.62Å; F63-W76 AromaticContact CD2-CG 3.92Å; F63-W76 HydrophobicContact CD2-CG 3.92Å; F63-W76 HydrophobicContact CD2-CZ2 4.24Å; F63-W76 AromaticContact CD2-NE1 3.39Å; F63-W76 AromaticContact CE2-NE1 3.94Å; F63-W76 HydrophobicContact CG-CD2 4.28Å; F63-W76 AromaticContact CG-CE2 3.96Å; F63-W76 HydrophobicContact CG-CZ2 4.15Å; W76-I145 HydrophobicContact CH2-CG2 4.22Å; W76-I145 HydrophobicContact CZ2-CG2 3.64Å; W76-K146 PolarHBondContact NE1-O 2.91Å; W76-Y147 HydrophobicContact CZ2-CD1 4.14Å; W76-Y147 HydrophobicContact CZ2-CE1 4.49Å
77	L	93.7	Very high	88.9	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.9	176.7	-65	-176.3	0	0	0	111	A32 E61 Y62 V64 F66 V75 A81	A32-L77 HydrophobicContact CB-CD1 3.97Å; E61-L77 CarbonylContact C-O 3.59Å; E61-L77 WeakPolarHBondContact CA-O 3.45Å; E61-L77 WeakPolarHBondContact CB-O 3.45Å; Y62-L77 PolarHBondContact N-O 2.92Å; Y62-L77 PolarHBondContact O-N 3.35Å; V64-L77 HydrophobicContact CG2-CD1 3.52Å; V64-L77 HydrophobicContact CG2-CG 3.83Å; F66-L77 HydrophobicContact CE2-CD1 4.32Å; F66-L77 HydrophobicContact CZ-CD1 3.94Å; V75-L77 HydrophobicContact CG1-CD2 3.84Å; V75-L77 HydrophobicContact CG1-CG 4.01Å; V75-L77 HydrophobicContact CG2-CD2 4.38Å; L77-A81 HydrophobicContact CB-CB 4.14Å; L77-A81 HydrophobicContact CD1-CB 4.39Å
78	P	92.6	Very high	88.5	Confident	54 Å²	54	55.3 Å²	55.3	35%	0.351	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	161.7	168.1	33.6	-37.1	0	0	0	110.6	D80 A81	P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CB-OD1 3.48Å; P78-D80 WeakPolarHBondContact CG-OD1 3.3Å; P78-D80 PolarHBondContact O-N 2.79Å; P78-A81 HydrophobicContact CG-CB 3.97Å; P78-A81 WeakPolarHBondContact O-CB 3.48Å; P78-A81 PolarHBondContact O-N 3.43Å; P78-A81 VanDerWaalsContact O-N 3.15Å
79	T	91.2	Very high	88.1	Confident	38 Å²	38	54.5 Å²	54.5	23%	0.233	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.6	-35.3	-174	-53.9	0	0	0	0	112.7	V60 Y62 A81 I82 Y84	V60-T79 PolarHBondContact O-OG1 3.2Å; Y62-T79 HydrophobicContact CE2-CG2 4.16Å; Y62-T79 WeakPolarHBondContact CE2-OG1 3.27Å; T79-A81 PolarHBondContact O-N 3.38Å; T79-I82 PolarHBondContact O-N 2.93Å; T79-Y84 HydrophobicContact CG2-CE1 3.85Å
80	D	89.7	Confident	87	Confident	144 Å²	144	57.6 Å²	57.6	77%	0.77	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-71.9	-12.2	179.5	61.1	-21.4	0	0	0	114.2	P78 I82	P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CB-OD1 3.48Å; P78-D80 WeakPolarHBondContact CG-OD1 3.3Å; P78-D80 PolarHBondContact O-N 2.79Å; D80-I82 VanDerWaalsContact C-N 3.31Å
81	A	92.3	Very high	85.9	Confident	20 Å²	20	60.3 Å²	60.3	17%	0.165	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-86.5	-1	174.7	0	0	0	0	0	113.4	A32 I33 L77 P78 T79	A32-A81 CarbonylContact C-O 3.54Å; A32-A81 VanDerWaalsContact CA-O 3.29Å; A32-A81 WeakPolarHBondContact CA-O 3.29Å; I33-A81 PolarHBondContact N-O 3.21Å; L77-A81 HydrophobicContact CB-CB 4.14Å; L77-A81 HydrophobicContact CD1-CB 4.39Å; P78-A81 HydrophobicContact CG-CB 3.97Å; P78-A81 WeakPolarHBondContact O-CB 3.48Å; P78-A81 PolarHBondContact O-N 3.43Å; P78-A81 VanDerWaalsContact O-N 3.15Å; T79-A81 PolarHBondContact O-N 3.38Å
82	I	92	Very high	84.6	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.5	-178.8	-56.7	176.1	0	0	0	108.5	P24 Y30 A32 V48 Y62 V64 T79 D80 Y84	P24-I82 HydrophobicContact CB-CG2 4.38Å; P24-I82 HydrophobicContact CG-CB 4.28Å; P24-I82 HydrophobicContact CG-CD1 4.25Å; P24-I82 HydrophobicContact CG-CG2 4.04Å; Y30-I82 HydrophobicContact CD2-CG2 4.46Å; Y30-I82 HydrophobicContact CG-CG2 4.14Å; A32-I82 HydrophobicContact CB-CG1 4.14Å; V48-I82 HydrophobicContact CG2-CD1 4.38Å; Y62-I82 HydrophobicContact CD2-CD1 4.08Å; Y62-I82 HydrophobicContact CG-CD1 4.03Å; V64-I82 HydrophobicContact CG1-CD1 3.92Å; T79-I82 PolarHBondContact O-N 2.93Å; D80-I82 VanDerWaalsContact C-N 3.31Å; I82-Y84 VanDerWaalsContact O-CD1 3.25Å; I82-Y84 WeakPolarHBondContact O-CD1 3.41Å; I82-Y84 PolarHBondContact O-N 2.89Å
83	D	90.5	Very high	83	Confident	67 Å²	67	58 Å²	58	36%	0.358	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	91.5	167.8	-179.5	7.4	0	0	0	109.1	S31 T85	S31-D83 PolarHBondContact O-N 3.1Å; D83-T85 VanDerWaalsContact C-N 3.32Å; D83-T85 WeakPolarHBondContact OD1-CB 3.42Å; D83-T85 PolarHBondContact OD1-N 3.13Å; D83-T85 VanDerWaalsContact OD1-N 3.13Å; D83-T85 PolarHBondContact OD1-OG1 3.34Å
84	Y	85.5	Confident	81.3	Confident	67 Å²	67	58 Å²	58	26%	0.263	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	10.2	177.9	59.1	-90.3	0	0	0	113.7	A19 C22 P24 Y30 T79 I82 K86	A19-Y84 WeakPolarHBondContact CB-O 3.28Å; C22-Y84 WeakPolarHBondContact O-CE2 3.27Å; P24-Y84 HydrophobicContact CG-CD1 3.74Å; P24-Y84 HydrophobicContact CG-CG 3.97Å; Y30-Y84 VanDerWaalsContact CD1-CA 3.49Å; T79-Y84 HydrophobicContact CG2-CE1 3.85Å; I82-Y84 VanDerWaalsContact O-CD1 3.25Å; I82-Y84 WeakPolarHBondContact O-CD1 3.41Å; I82-Y84 PolarHBondContact O-N 2.89Å; Y84-K86 VanDerWaalsContact C-N 3.27Å
85	T	81.9	Confident	79.5	Confident	79 Å²	79	60.8 Å²	60.8	49%	0.485	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-16.6	175.2	69.9	0	0	0	0	112.6	A19 D83	A19-T85 WeakPolarHBondContact CB-O 3.36Å; A19-T85 PolarHBondContact N-O 3.34Å; D83-T85 VanDerWaalsContact C-N 3.32Å; D83-T85 WeakPolarHBondContact OD1-CB 3.42Å; D83-T85 PolarHBondContact OD1-N 3.13Å; D83-T85 VanDerWaalsContact OD1-N 3.13Å; D83-T85 PolarHBondContact OD1-OG1 3.34Å
86	K	79.3	Confident	77.5	Confident	104 Å²	104	64.9 Å²	64.9	45%	0.452	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	116.3	-179.4	-65.2	-179.8	-176.1	179.5	0	110.4	D16 Y30 Y84	D16-K86 HydrophobicContact CB-CB 4.41Å; Y30-K86 WeakPolarHBondContact CD1-O 3.42Å; Y84-K86 VanDerWaalsContact C-N 3.27Å
87	R	81.8	Confident	75.4	Confident	59 Å²	59	71.6 Å²	71.6	22%	0.223	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.8	171.2	-77.3	175.7	-170.4	-149.5	12.6	109.7	L17 A19 D21 E28 Y30	L17-R87 PolarHBondContact O-N 3.37Å; A19-R87 HydrophobicContact CB-CG 4.02Å; D21-R87 VanDerWaalsContact CG-NH2 3.28Å; D21-R87 IonicContact OD1-CZ 3.23Å; D21-R87 IonicContact OD1-NE 2.75Å; D21-R87 IonicContact OD1-NH2 2.91Å; D21-R87 PolarHBondContact OD1-NH2 3.17Å; D21-R87 IonicContact OD2-CZ 2.63Å; D21-R87 VanDerWaalsContact OD2-CZ 3.23Å; D21-R87 IonicContact OD2-NE 3.41Å; D21-R87 PolarHBondContact OD2-NE 2.95Å; D21-R87 IonicContact OD2-NH2 2.83Å; D21-R87 PolarHBondContact OD2-NH2 3.46Å; E28-R87 IonicContact OE1-NH1 3.93Å; E28-R87 PolarHBondContact OE1-NH1 2.97Å; E28-R87 WeakPolarHBondContact OE2-CD 3.06Å; E28-R87 IonicContact OE2-CZ 3.84Å; E28-R87 IonicContact OE2-NE 2.88Å; E28-R87 IonicContact OE2-NH1 3.87Å; E28-R87 PolarHBondContact OE2-NH1 3.05Å; Y30-R87 HydrophobicContact CD1-CG 4.34Å; Y30-R87 HydrophobicContact CE1-CB 4.45Å; Y30-R87 HydrophobicContact CE1-CG 3.53Å
88	R	80.1	Confident	73.4	Confident	78 Å²	78	73.2 Å²	73.2	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	145.6	171.2	-60	-59.2	-168.5	175.2	-2.8	109.2	D16 Y29 S31 R45	D16-R88 VanDerWaalsContact OD1-CD 3.24Å; D16-R88 WeakPolarHBondContact OD1-CD 3.32Å; D16-R88 IonicContact OD1-CZ 2.73Å; D16-R88 IonicContact OD1-NE 2.99Å; D16-R88 IonicContact OD1-NH1 3.4Å; D16-R88 PolarHBondContact OD1-NH1 2.73Å; D16-R88 IonicContact OD2-CZ 3.3Å; D16-R88 IonicContact OD2-NH1 3.05Å; D16-R88 PolarHBondContact OD2-NH1 2.92Å; Y29-R88 PolarHBondContact O-N 2.6Å; S31-R88 PolarHBondContact OG-NE 3.39Å; S31-R88 VanDerWaalsContact OG-NE 3.09Å; S31-R88 PolarHBondContact OG-NH2 2.85Å; R45-R88 HydrophobicContact CG-CB 4.2Å; R45-R88 HydrophobicContact CG-CG 4.33Å
89	T	74.4	Confident	71.6	Confident	48 Å²	48	76.2 Å²	76.2	29%	0.294	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64.7	154.5	178.3	66.4	0	0	0	0	111.5	V14 R45 E91	V14-T89 HydrophobicContact CB-CG2 3.98Å; V14-T89 HydrophobicContact CG1-CG2 3.63Å; R45-T89 VanDerWaalsContact CZ-O 3.31Å; R45-T89 PolarHBondContact NE-O 3.49Å; R45-T89 VanDerWaalsContact NE-O 3.09Å; R45-T89 PolarHBondContact NH2-O 3.02Å; T89-E91 PolarHBondContact O-N 2.95Å
90	N	65.1	Low	69.6	Low	96 Å²	96	76.5 Å²	76.5	51%	0.513	39%	0.393	S	S	.	.	S	Bend	trans	-72.3	-13.4	176.2	-69.3	4.9	0	0	0	112.9	Y29 S92	Y29-N90 WeakPolarHBondContact CD2-OD1 3.37Å; Y29-N90 HydrophobicContact CE2-CB 4.21Å; Y29-N90 VanDerWaalsContact CE2-OD1 3.22Å; Y29-N90 WeakPolarHBondContact CE2-OD1 3.27Å; N90-S92 PolarHBondContact O-N 3.27Å
91	E	63.4	Low	67.8	Low	118 Å²	118	71.1 Å²	71.1	55%	0.551	37%	0.368	S	S	*	.			trans	-82.2	80.1	-177	-65.5	-164.1	-147.5	0	0	112.2	T89 K96	T89-E91 PolarHBondContact O-N 2.95Å; E91-K96 IonicContact OE2-NZ 2.78Å; E91-K96 PolarHBondContact OE2-NZ 3.42Å
92	S	59.9	Low	65.8	Low	6 Å²	6	72.9 Å²	72.9	4%	0.042	37%	0.374	C	S	.	.			trans	-84.5	133.6	167.8	-178.9	0	0	0	0	110.9	D67 N90 E94 V95 K96	D67-S92 WeakPolarHBondContact OD2-CB 3.37Å; D67-S92 PolarHBondContact OD2-OG 3.36Å; D67-S92 VanDerWaalsContact OD2-OG 3.05Å; N90-S92 PolarHBondContact O-N 3.27Å; S92-E94 PolarHBondContact O-N 3.21Å; S92-E94 PolarHBondContact OG-N 2.69Å; S92-V95 PolarHBondContact O-N 3.08Å; S92-K96 PolarHBondContact O-N 2.94Å
93	P	56.3	Low	63.9	Low	90 Å²	90	79.6 Å²	79.6	58%	0.584	41%	0.406	S	S	*	.	H	α-helix	trans	-56.5	-19.7	172	-22.5	31.5	0	0	0	113.7	R97	P93-R97 PolarHBondContact O-N 2.9Å
94	E	56.2	Low	61.9	Low	83 Å²	83	80.8 Å²	80.8	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-82.2	-37.7	-179.3	-68	161.6	178.7	0	0	112.1	D67 G68 S92 R97 G98	D67-E94 WeakPolarHBondContact CB-OE2 3.43Å; G68-E94 PolarHBondContact N-OE2 3.15Å; G68-E94 VanDerWaalsContact N-OE2 3.09Å; S92-E94 PolarHBondContact O-N 3.21Å; S92-E94 PolarHBondContact OG-N 2.69Å; E94-R97 WeakPolarHBondContact O-CB 3.49Å; E94-R97 PolarHBondContact O-N 3.24Å; E94-R97 VanDerWaalsContact O-N 3.15Å; E94-G98 PolarHBondContact O-N 2.95Å
95	V	54.7	Low	60.1	Low	65 Å²	65	79 Å²	79	39%	0.394	41%	0.406	S	S	.	.	H	α-helix	trans	-60.3	-49	172.2	175.5	0	0	0	0	109.6	S92 R97 G98 E99	S92-V95 PolarHBondContact O-N 3.08Å; V95-R97 PolarHBondContact O-N 3.06Å; V95-G98 WeakPolarHBondContact O-CA 3.05Å; V95-G98 PolarHBondContact O-N 3.07Å; V95-E99 HydrophobicContact CG1-CG 4.45Å; V95-E99 WeakPolarHBondContact O-CG 3.28Å; V95-E99 PolarHBondContact O-N 2.82Å
96	K	52.5	Low	58.7	Low	115 Å²	115	83.5 Å²	83.5	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-57.8	-36.4	175	-67.2	-175.2	-177.9	172.7	0	112.2	E91 S92 A100	E91-K96 IonicContact OE2-NZ 2.78Å; E91-K96 PolarHBondContact OE2-NZ 3.42Å; S92-K96 PolarHBondContact O-N 2.94Å; K96-A100 VanDerWaalsContact O-CB 3.27Å; K96-A100 WeakPolarHBondContact O-CB 3.49Å; K96-A100 PolarHBondContact O-N 3.12Å
97	R	51	Low	57.2	Low	159 Å²	159	80.4 Å²	80.4	60%	0.6	42%	0.42	S	S	*	.	H	α-helix	trans	-69.2	-36.1	175	-103.6	-173.7	-75.4	-178.7	-1.1	113	P93 E94 V95 A101	P93-R97 PolarHBondContact O-N 2.9Å; E94-R97 WeakPolarHBondContact O-CB 3.49Å; E94-R97 PolarHBondContact O-N 3.24Å; E94-R97 VanDerWaalsContact O-N 3.15Å; V95-R97 PolarHBondContact O-N 3.06Å; R97-A101 WeakPolarHBondContact O-CB 3.27Å; R97-A101 PolarHBondContact O-N 3.22Å; R97-A101 VanDerWaalsContact O-N 3.11Å
98	G	51.1	Low	55.8	Low	41 Å²	41	82.9 Å²	82.9	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-69.3	-46.7	176.3	0	0	0	0	0	112.4	E94 V95 A101 L102	E94-G98 PolarHBondContact O-N 2.95Å; V95-G98 WeakPolarHBondContact O-CA 3.05Å; V95-G98 PolarHBondContact O-N 3.07Å; G98-A101 WeakPolarHBondContact O-CB 3.31Å; G98-A101 PolarHBondContact O-N 2.6Å; G98-A101 VanDerWaalsContact O-N 3.12Å; G98-L102 PolarHBondContact O-N 2.6Å
99	E	53.9	Low	54.6	Low	117 Å²	117	80.8 Å²	80.8	55%	0.547	45%	0.449	S	S	.	.	H	α-helix	trans	-60.4	-47.1	175.5	-70.1	174.9	159.1	0	0	111.5	V95 A101 L102 E103	V95-E99 HydrophobicContact CG1-CG 4.45Å; V95-E99 WeakPolarHBondContact O-CG 3.28Å; V95-E99 PolarHBondContact O-N 2.82Å; E99-A101 PolarHBondContact O-N 3.31Å; E99-L102 WeakPolarHBondContact O-CB 3.46Å; E99-L102 PolarHBondContact O-N 3.37Å; E99-E103 PolarHBondContact O-N 3Å
100	A	50.3	Low	53.9	Low	44 Å²	44	82.5 Å²	82.5	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-33.8	174.7	0	0	0	0	0	112.4	K96 N104	K96-A100 VanDerWaalsContact O-CB 3.27Å; K96-A100 WeakPolarHBondContact O-CB 3.49Å; K96-A100 PolarHBondContact O-N 3.12Å; A100-N104 WeakPolarHBondContact O-CB 3.45Å; A100-N104 PolarHBondContact O-N 2.82Å; A100-N104 PolarHBondContact O-ND2 2.96Å
101	A	51.1	Low	53.4	Low	30 Å²	30	88 Å²	88	25%	0.248	47%	0.473	C	S	.	.	H	α-helix	trans	-68.9	-37.6	174.1	0	0	0	0	0	111.7	R97 G98 E99 N104 I105	R97-A101 WeakPolarHBondContact O-CB 3.27Å; R97-A101 PolarHBondContact O-N 3.22Å; R97-A101 VanDerWaalsContact O-N 3.11Å; G98-A101 WeakPolarHBondContact O-CB 3.31Å; G98-A101 PolarHBondContact O-N 2.6Å; G98-A101 VanDerWaalsContact O-N 3.12Å; E99-A101 PolarHBondContact O-N 3.31Å; A101-N104 PolarHBondContact O-N 3.17Å; A101-I105 WeakPolarHBondContact O-CG1 3.32Å; A101-I105 PolarHBondContact O-N 3.5Å
102	L	50.5	Low	52.8	Low	58 Å²	58	86.8 Å²	86.8	30%	0.304	48%	0.477	S	S	.	.	H	α-helix	trans	-70.3	-44.2	179.4	-167.4	74.2	0	0	0	112.5	G98 E99 N104 I105 Y133	G98-L102 PolarHBondContact O-N 2.6Å; E99-L102 WeakPolarHBondContact O-CB 3.46Å; E99-L102 PolarHBondContact O-N 3.37Å; L102-N104 PolarHBondContact O-N 2.89Å; L102-I105 HydrophobicContact CD1-CD1 4.38Å; L102-I105 WeakPolarHBondContact O-CB 3.44Å; L102-I105 PolarHBondContact O-N 2.65Å; L102-Y133 HydrophobicContact CD1-CE2 4.49Å; L102-Y133 WeakPolarHBondContact CD2-OH 3.4Å
103	E	53.2	Low	52.6	Low	148 Å²	148	92 Å²	92	69%	0.692	50%	0.499	S	S	*	.	H	α-helix	trans	-57.9	-38.2	173	-77.1	-174.5	155.8	0	0	111.4	E99 I105 Q106	E99-E103 PolarHBondContact O-N 3Å; E103-I105 VanDerWaalsContact C-N 3.27Å; E103-I105 PolarHBondContact O-N 2.95Å; E103-Q106 PolarHBondContact O-N 3.17Å
104	N	47.3	Very low	52.5	Low	91 Å²	91	93.7 Å²	93.7	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-70	-19.9	177.2	-83.1	-61.3	0	0	0	114	A100 A101 L102 V109	A100-N104 WeakPolarHBondContact O-CB 3.45Å; A100-N104 PolarHBondContact O-N 2.82Å; A100-N104 PolarHBondContact O-ND2 2.96Å; A101-N104 PolarHBondContact O-N 3.17Å; L102-N104 PolarHBondContact O-N 2.89Å; N104-V109 WeakPolarHBondContact O-CG2 3.44Å
105	I	49.4	Very low	52.4	Low	29 Å²	29	93 Å²	93	15%	0.149	50%	0.495	C	S	.	.	H	α-helix	trans	-74	-33.1	175.4	-71.5	166.9	0	0	0	111	A101 L102 E103 G107 L117 A122 Y126	A101-I105 WeakPolarHBondContact O-CG1 3.32Å; A101-I105 PolarHBondContact O-N 3.5Å; L102-I105 HydrophobicContact CD1-CD1 4.38Å; L102-I105 WeakPolarHBondContact O-CB 3.44Å; L102-I105 PolarHBondContact O-N 2.65Å; E103-I105 VanDerWaalsContact C-N 3.27Å; E103-I105 PolarHBondContact O-N 2.95Å; I105-G107 PolarHBondContact O-N 3.18Å; I105-L117 HydrophobicContact CG1-CD1 4.26Å; I105-A122 HydrophobicContact CD1-CB 4.15Å; I105-Y126 HydrophobicContact CB-CD2 4.31Å; I105-Y126 HydrophobicContact CG1-CD2 4.09Å; I105-Y126 HydrophobicContact CG2-CD2 3.58Å; I105-Y126 HydrophobicContact CG2-CE2 4.04Å; I105-Y126 HydrophobicContact CG2-CG 4.45Å
106	Q	50.5	Low	52.4	Low	174 Å²	174	98.6 Å²	98.6	81%	0.813	51%	0.509	S	S	*	.	H	α-helix	trans	-72.2	-19	176.1	-65.7	-178.3	-18.6	0	0	112.4	E103	E103-Q106 PolarHBondContact O-N 3.17Å
107	G	49.1	Very low	52.4	Low	39 Å²	39	94.6 Å²	94.6	40%	0.402	49%	0.493	S	S	.	.	S	Bend	trans	-84.5	161.2	175.3	0	0	0	0	0	114.3	I105 V109	I105-G107 PolarHBondContact O-N 3.18Å; G107-V109 WeakPolarHBondContact O-CG2 3.49Å; G107-V109 PolarHBondContact O-N 3.34Å
108	A	52.2	Low	52.4	Low	112 Å²	112	90.4 Å²	90.4	93%	0.926	48%	0.481	S	S	*	.			trans	-63.5	106.2	173.1	0	0	0	0	0	111.1
109	V	54.9	Low	52.4	Low	33 Å²	33	94.5 Å²	94.5	20%	0.2	49%	0.489	C	S	.	.			trans	-85.8	131.2	-176.9	-173.6	0	0	0	0	111.7	N104 G107 K113 R114 L117 Y126	N104-V109 WeakPolarHBondContact O-CG2 3.44Å; G107-V109 WeakPolarHBondContact O-CG2 3.49Å; G107-V109 PolarHBondContact O-N 3.34Å; V109-K113 HydrophobicContact CG1-CB 3.43Å; V109-K113 VanDerWaalsContact CG1-CB 3.43Å; V109-R114 HydrophobicContact CG1-CB 4.28Å; V109-L117 HydrophobicContact CG1-CD1 4.04Å; V109-L117 HydrophobicContact CG2-CD1 4.22Å; V109-Y126 HydrophobicContact CG2-CE2 3.97Å
110	T	60.1	Low	52.3	Low	85 Å²	85	96.6 Å²	96.6	52%	0.521	49%	0.491	S	S	.	.			trans	-65.7	154	174.1	66.6	0	0	0	0	112.2	S112 K113 R114	T110-S112 VanDerWaalsContact C-N 3.27Å; T110-S112 PolarHBondContact O-N 2.87Å; T110-S112 VanDerWaalsContact O-N 3.16Å; T110-K113 PolarHBondContact O-N 3.41Å; T110-K113 VanDerWaalsContact O-N 3.09Å; T110-K113 PolarHBondContact OG1-N 2.84Å; T110-R114 PolarHBondContact O-N 2.9Å
111	R	53.6	Low	52.2	Low	211 Å²	211	98.9 Å²	98.9	80%	0.796	50%	0.498	S	S	*	.	H	α-helix	trans	-52.9	-40.4	-179.2	-171.6	179.8	178.3	-168.1	-0.8	113.5	V115	R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.31Å
112	S	51.2	Low	52.2	Low	92 Å²	92	98.6 Å²	98.6	64%	0.643	50%	0.495	S	S	*	.	H	α-helix	trans	-73	-37.1	179.8	-53.9	0	0	0	0	113	T110 R116	T110-S112 VanDerWaalsContact C-N 3.27Å; T110-S112 PolarHBondContact O-N 2.87Å; T110-S112 VanDerWaalsContact O-N 3.16Å; S112-R116 PolarHBondContact O-N 3.26Å
113	K	55.4	Low	52.2	Low	115 Å²	115	99.7 Å²	99.7	50%	0.5	50%	0.496	S	S	.	.	H	α-helix	trans	-68.4	-37.3	173.6	-87.4	-173.4	173.9	-177	0	111.2	V109 T110 V115 R116 L117	V109-K113 HydrophobicContact CG1-CB 3.43Å; V109-K113 VanDerWaalsContact CG1-CB 3.43Å; T110-K113 PolarHBondContact O-N 3.41Å; T110-K113 VanDerWaalsContact O-N 3.09Å; T110-K113 PolarHBondContact OG1-N 2.84Å; K113-V115 VanDerWaalsContact C-N 3.33Å; K113-V115 PolarHBondContact O-N 3.18Å; K113-R116 WeakPolarHBondContact O-CB 3.45Å; K113-R116 PolarHBondContact O-N 2.94Å; K113-L117 PolarHBondContact O-N 3.39Å
114	R	54.8	Low	52.4	Low	126 Å²	126	93.7 Å²	93.7	48%	0.475	47%	0.472	S	S	.	.	H	α-helix	trans	-56.1	-46.5	175.3	-174.9	178.7	176.3	154.2	7.7	111.5	V109 T110 R116 L117 E118	V109-R114 HydrophobicContact CG1-CB 4.28Å; T110-R114 PolarHBondContact O-N 2.9Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 3.32Å; R114-L117 PolarHBondContact O-N 2.98Å; R114-E118 HydrophobicContact CG-CG 4.43Å; R114-E118 WeakPolarHBondContact CG-OE1 3.41Å; R114-E118 IonicContact NE-OE1 3.85Å; R114-E118 PolarHBondContact NE-OE1 3.44Å; R114-E118 VanDerWaalsContact NE-OE1 3.1Å; R114-E118 WeakPolarHBondContact O-CB 3.35Å; R114-E118 WeakPolarHBondContact O-CG 3.17Å; R114-E118 PolarHBondContact O-N 3.48Å
115	V	54.7	Low	52.9	Low	69 Å²	69	91.7 Å²	91.7	42%	0.418	46%	0.458	S	S	.	.	H	α-helix	trans	-59.9	-39.1	175	175.9	0	0	0	0	111.9	R111 K113 E118 E119	R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.31Å; K113-V115 VanDerWaalsContact C-N 3.33Å; K113-V115 PolarHBondContact O-N 3.18Å; V115-E118 PolarHBondContact O-N 3.47Å; V115-E119 WeakPolarHBondContact O-CG 3.39Å; V115-E119 PolarHBondContact O-N 2.93Å
116	R	54.1	Low	53.2	Low	182 Å²	182	93.6 Å²	93.6	69%	0.687	46%	0.463	S	S	*	.	H	α-helix	trans	-70.9	-35.8	177.6	-69.8	-174.8	177.9	-161.7	-0	113.3	S112 K113 R114 E119 R120	S112-R116 PolarHBondContact O-N 3.26Å; K113-R116 WeakPolarHBondContact O-CB 3.45Å; K113-R116 PolarHBondContact O-N 2.94Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 3.32Å; R116-E119 PolarHBondContact O-N 3.24Å; R116-R120 PolarHBondContact O-N 3.28Å; R116-R120 VanDerWaalsContact O-N 3.07Å
117	L	52.7	Low	53.7	Low	31 Å²	31	88.8 Å²	88.8	16%	0.162	46%	0.461	C	S	.	.	H	α-helix	trans	-70.6	-35.3	173.6	-71.9	175.5	0	0	0	111.2	I105 V109 K113 R114 E119 R120 A122 Y126	I105-L117 HydrophobicContact CG1-CD1 4.26Å; V109-L117 HydrophobicContact CG1-CD1 4.04Å; V109-L117 HydrophobicContact CG2-CD1 4.22Å; K113-L117 PolarHBondContact O-N 3.39Å; R114-L117 PolarHBondContact O-N 2.98Å; L117-E119 PolarHBondContact O-N 2.95Å; L117-R120 CarbonylContact O-C 3.51Å; L117-R120 PolarHBondContact O-N 3.03Å; L117-A122 HydrophobicContact CD2-CB 4.14Å; L117-Y126 HydrophobicContact CD1-CD2 4.36Å; L117-Y126 HydrophobicContact CD1-CE2 4.19Å
118	E	51.2	Low	54.7	Low	72 Å²	72	89.7 Å²	89.7	34%	0.336	46%	0.455	S	S	.	.	H	α-helix	trans	-66.2	-27.8	171.4	-72.2	166.8	177.6	0	0	111.8	R114 V115 Y123	R114-E118 HydrophobicContact CG-CG 4.43Å; R114-E118 WeakPolarHBondContact CG-OE1 3.41Å; R114-E118 IonicContact NE-OE1 3.85Å; R114-E118 PolarHBondContact NE-OE1 3.44Å; R114-E118 VanDerWaalsContact NE-OE1 3.1Å; R114-E118 WeakPolarHBondContact O-CB 3.35Å; R114-E118 WeakPolarHBondContact O-CG 3.17Å; R114-E118 PolarHBondContact O-N 3.48Å; V115-E118 PolarHBondContact O-N 3.47Å; E118-Y123 HydrophobicContact CG-CD2 4.07Å; E118-Y123 HydrophobicContact CG-CE2 4.19Å
119	E	51.4	Low	56.1	Low	127 Å²	127	87.9 Å²	87.9	59%	0.593	43%	0.43	S	S	*	.	H	α-helix	trans	-80	-23.5	172.4	-76.9	178.3	163.7	0	0	113.7	V115 R116 L117	V115-E119 WeakPolarHBondContact O-CG 3.39Å; V115-E119 PolarHBondContact O-N 2.93Å; R116-E119 PolarHBondContact O-N 3.24Å; L117-E119 PolarHBondContact O-N 2.95Å
120	R	50	Low	57.2	Low	160 Å²	160	90.9 Å²	90.9	60%	0.604	45%	0.45	S	S	*	.	S	Bend	trans	-94.8	156.1	174.1	-72.1	177.4	73.5	160.3	-1.5	109.6	R116 L117 A122	R116-R120 PolarHBondContact O-N 3.28Å; R116-R120 VanDerWaalsContact O-N 3.07Å; L117-R120 CarbonylContact O-C 3.51Å; L117-R120 PolarHBondContact O-N 3.03Å; R120-A122 PolarHBondContact O-N 3.18Å
121	D	49.4	Very low	58.1	Low	92 Å²	92	93 Å²	93	49%	0.492	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-67.8	6.4	-178	-54.9	-45.7	0	0	0	114.5	Y123 D328 R331	D121-Y123 PolarHBondContact O-N 3.18Å; D121-Y123 VanDerWaalsContact O-N 3.1Å; D121-D328 VanDerWaalsContact OD1-OD1 3.07Å; D121-R331 IonicContact OD1-NH2 3.14Å; D121-R331 PolarHBondContact OD1-NH2 2.8Å
122	A	50.1	Low	59.3	Low	24 Å²	24	85.3 Å²	85.3	20%	0.198	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-64.2	-7.4	171.7	0	0	0	0	0	113.9	I105 L117 R120 A124 Y126	I105-A122 HydrophobicContact CD1-CB 4.15Å; L117-A122 HydrophobicContact CD2-CB 4.14Å; R120-A122 PolarHBondContact O-N 3.18Å; A122-A124 PolarHBondContact O-N 2.94Å; A122-Y126 PolarHBondContact O-N 3.31Å
123	Y	50.2	Low	60.5	Low	82 Å²	82	83.6 Å²	83.6	32%	0.322	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-60.6	-30.6	176.5	-166.6	-98.6	0	0	0	113.1	E118 D121 Y125 Y126 P325	E118-Y123 HydrophobicContact CG-CD2 4.07Å; E118-Y123 HydrophobicContact CG-CE2 4.19Å; D121-Y123 PolarHBondContact O-N 3.18Å; D121-Y123 VanDerWaalsContact O-N 3.1Å; Y123-Y125 VanDerWaalsContact C-N 3.25Å; Y123-Y125 PolarHBondContact O-N 3.04Å; Y123-Y126 PolarHBondContact O-N 3.33Å; Y123-P325 HydrophobicContact CD1-CB 3.97Å; Y123-P325 HydrophobicContact CE1-CB 3.8Å
124	A	57.3	Low	61.7	Low	22 Å²	22	80.4 Å²	80.4	18%	0.182	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-59.4	-35	-175.5	0	0	0	0	0	112.7	A122 M128	A122-A124 PolarHBondContact O-N 2.94Å; A124-M128 WeakPolarHBondContact O-CE 3.49Å; A124-M128 VanDerWaalsContact O-SD 3.33Å
125	Y	57.8	Low	63	Low	48 Å²	48	79.7 Å²	79.7	19%	0.188	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-15.3	179.6	-53.5	-72.1	0	0	0	114	Y123 G127 M128 Y133 E140	Y123-Y125 VanDerWaalsContact C-N 3.25Å; Y123-Y125 PolarHBondContact O-N 3.04Å; Y125-G127 PolarHBondContact O-N 3.02Å; Y125-M128 PolarHBondContact O-N 2.9Å; Y125-Y133 AromaticContact CD1-CD2 3.54Å; Y125-Y133 HydrophobicContact CD1-CD2 3.54Å; Y125-Y133 AromaticContact CD1-CE2 3.45Å; Y125-Y133 HydrophobicContact CD1-CE2 3.45Å; Y125-Y133 VanDerWaalsContact CD1-CE2 3.45Å; Y125-Y133 HydrophobicContact CE1-CD2 4.35Å; Y125-Y133 HydrophobicContact CE1-CE2 4.05Å; Y125-Y133 HydrophobicContact CG-CD2 4.1Å; Y125-Y133 AromaticContact CG-CE2 3.82Å; Y125-Y133 HydrophobicContact CG-CE2 3.82Å; Y125-E140 WeakPolarHBondContact CE1-OE1 3.4Å; Y125-E140 VanDerWaalsContact CZ-OE1 3.27Å; Y125-E140 PolarHBondContact OH-OE1 2.89Å; Y125-E140 PolarHBondContact OH-OE2 3.03Å
126	Y	55.7	Low	64.2	Low	69 Å²	69	78.1 Å²	78.1	27%	0.271	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	117.6	-170.3	-167.4	-84.9	0	0	0	111.1	I105 V109 L117 A122 Y123	I105-Y126 HydrophobicContact CB-CD2 4.31Å; I105-Y126 HydrophobicContact CG1-CD2 4.09Å; I105-Y126 HydrophobicContact CG2-CD2 3.58Å; I105-Y126 HydrophobicContact CG2-CE2 4.04Å; I105-Y126 HydrophobicContact CG2-CG 4.45Å; V109-Y126 HydrophobicContact CG2-CE2 3.97Å; L117-Y126 HydrophobicContact CD1-CD2 4.36Å; L117-Y126 HydrophobicContact CD1-CE2 4.19Å; A122-Y126 PolarHBondContact O-N 3.31Å; Y123-Y126 PolarHBondContact O-N 3.33Å
127	G	62.5	Low	65.4	Low	74 Å²	74	74.3 Å²	74.3	76%	0.763	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	5.3	178.3	0	0	0	0	0	115	Y125	Y125-G127 PolarHBondContact O-N 3.02Å
128	M	69.4	Low	66.8	Low	57 Å²	57	78.5 Å²	78.5	28%	0.281	41%	0.406	S	S	.	.			trans	-70.8	141.2	167.3	-70.6	177.6	168.6	0	0	110.5	A124 Y125 T132 E136	A124-M128 WeakPolarHBondContact O-CE 3.49Å; A124-M128 VanDerWaalsContact O-SD 3.33Å; Y125-M128 PolarHBondContact O-N 2.9Å; M128-T132 HydrophobicContact CB-CG2 4.22Å; M128-T132 HydrophobicContact CE-CG2 4.27Å; M128-T132 HydrophobicContact CG-CG2 3.94Å; M128-T132 HydrophobicContact SD-CG2 3.97Å; M128-E136 HydrophobicContact CE-CG 3.84Å; M128-E136 HydrophobicContact SD-CG 3.88Å
129	D	81	Confident	68.3	Low	74 Å²	74	77 Å²	77	40%	0.396	40%	0.397	S	S	.	.			trans	-66.1	158.1	164.8	59.8	91.3	0	0	0	110.8	E131 T132 Y133	D129-E131 PolarHBondContact O-N 3.02Å; D129-E131 WeakPolarHBondContact OD1-CB 3.5Å; D129-E131 PolarHBondContact OD1-N 3.08Å; D129-T132 VanDerWaalsContact CG-OG1 3.25Å; D129-T132 PolarHBondContact O-N 3.34Å; D129-T132 PolarHBondContact OD1-N 2.81Å; D129-T132 PolarHBondContact OD1-OG1 3.39Å; D129-T132 VanDerWaalsContact OD1-OG1 3.09Å; D129-T132 VanDerWaalsContact OD2-CB 3.32Å; D129-T132 WeakPolarHBondContact OD2-CB 3.42Å; D129-T132 PolarHBondContact OD2-OG1 2.67Å; D129-Y133 WeakPolarHBondContact O-CB 3.08Å; D129-Y133 PolarHBondContact O-N 2.88Å
130	P	77.7	Confident	69.8	Low	97 Å²	97	71.9 Å²	71.9	63%	0.63	37%	0.374	S	S	*	.	H	α-helix	trans	-55.1	-36.1	-178.1	-27.4	36.5	0	0	0	114.1	A134	P130-A134 WeakPolarHBondContact O-CB 3.46Å; P130-A134 PolarHBondContact O-N 2.79Å
131	E	80.5	Confident	71.4	Confident	129 Å²	129	70.2 Å²	70.2	60%	0.603	37%	0.372	S	S	*	.	H	α-helix	trans	-68.8	-48.7	-179.6	-63.5	74.7	-169.6	0	0	111.2	D129 Y133 A134 L135	D129-E131 PolarHBondContact O-N 3.02Å; D129-E131 WeakPolarHBondContact OD1-CB 3.5Å; D129-E131 PolarHBondContact OD1-N 3.08Å; E131-Y133 VanDerWaalsContact C-N 3.31Å; E131-Y133 PolarHBondContact O-N 2.87Å; E131-A134 PolarHBondContact O-N 3.21Å; E131-L135 WeakPolarHBondContact O-CG 3.41Å; E131-L135 PolarHBondContact O-N 3.4Å; E131-L135 VanDerWaalsContact O-N 3.08Å
132	T	77.6	Confident	73	Confident	50 Å²	50	72.6 Å²	72.6	31%	0.307	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-43.5	174.4	-62.1	0	0	0	0	110.9	M128 D129 A134 L135 E136	M128-T132 HydrophobicContact CB-CG2 4.22Å; M128-T132 HydrophobicContact CE-CG2 4.27Å; M128-T132 HydrophobicContact CG-CG2 3.94Å; M128-T132 HydrophobicContact SD-CG2 3.97Å; D129-T132 VanDerWaalsContact CG-OG1 3.25Å; D129-T132 PolarHBondContact O-N 3.34Å; D129-T132 PolarHBondContact OD1-N 2.81Å; D129-T132 PolarHBondContact OD1-OG1 3.39Å; D129-T132 VanDerWaalsContact OD1-OG1 3.09Å; D129-T132 VanDerWaalsContact OD2-CB 3.32Å; D129-T132 WeakPolarHBondContact OD2-CB 3.42Å; D129-T132 PolarHBondContact OD2-OG1 2.67Å; T132-A134 PolarHBondContact O-N 3.42Å; T132-L135 PolarHBondContact O-N 2.81Å; T132-E136 HydrophobicContact CG2-CG 4.41Å; T132-E136 VanDerWaalsContact O-CG 3.29Å; T132-E136 WeakPolarHBondContact O-CG 3.13Å; T132-E136 PolarHBondContact O-N 3.2Å
133	Y	77.8	Confident	74.7	Confident	55 Å²	55	73 Å²	73	22%	0.216	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-43.1	176.8	177.1	-96.1	0	0	0	112.7	L102 Y125 D129 E131 E136 K137	L102-Y133 HydrophobicContact CD1-CE2 4.49Å; L102-Y133 WeakPolarHBondContact CD2-OH 3.4Å; Y125-Y133 AromaticContact CD1-CD2 3.54Å; Y125-Y133 HydrophobicContact CD1-CD2 3.54Å; Y125-Y133 AromaticContact CD1-CE2 3.45Å; Y125-Y133 HydrophobicContact CD1-CE2 3.45Å; Y125-Y133 VanDerWaalsContact CD1-CE2 3.45Å; Y125-Y133 HydrophobicContact CE1-CD2 4.35Å; Y125-Y133 HydrophobicContact CE1-CE2 4.05Å; Y125-Y133 HydrophobicContact CG-CD2 4.1Å; Y125-Y133 AromaticContact CG-CE2 3.82Å; Y125-Y133 HydrophobicContact CG-CE2 3.82Å; D129-Y133 WeakPolarHBondContact O-CB 3.08Å; D129-Y133 PolarHBondContact O-N 2.88Å; E131-Y133 VanDerWaalsContact C-N 3.31Å; E131-Y133 PolarHBondContact O-N 2.87Å; Y133-E136 PolarHBondContact O-N 3.09Å; Y133-K137 HydrophobicContact CD1-CD 4.47Å; Y133-K137 HydrophobicContact CE1-CD 3.65Å; Y133-K137 HydrophobicContact CE1-CG 4.2Å; Y133-K137 PolarHBondContact O-N 3.42Å; Y133-K137 WeakPolarHBondContact OH-CE 3.37Å; Y133-K137 PolarHBondContact OH-NZ 3.14Å
134	A	79.6	Confident	76.6	Confident	48 Å²	48	72.5 Å²	72.5	40%	0.397	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-41.9	178.3	0	0	0	0	0	111.9	P130 E131 T132 K137 Q138	P130-A134 WeakPolarHBondContact O-CB 3.46Å; P130-A134 PolarHBondContact O-N 2.79Å; E131-A134 PolarHBondContact O-N 3.21Å; T132-A134 PolarHBondContact O-N 3.42Å; A134-K137 PolarHBondContact O-N 3.43Å; A134-Q138 WeakPolarHBondContact O-CG 3.21Å; A134-Q138 PolarHBondContact O-N 3.21Å
135	L	81.8	Confident	78.1	Confident	111 Å²	111	73.3 Å²	73.3	58%	0.581	38%	0.381	S	S	*	.	H	α-helix	trans	-63.6	-42.4	175.9	-71.3	169.7	0	0	0	112.1	E131 T132 Q138 R139	E131-L135 WeakPolarHBondContact O-CG 3.41Å; E131-L135 PolarHBondContact O-N 3.4Å; E131-L135 VanDerWaalsContact O-N 3.08Å; T132-L135 PolarHBondContact O-N 2.81Å; L135-Q138 PolarHBondContact O-N 3.5Å; L135-R139 PolarHBondContact O-N 2.97Å
136	E	80.4	Confident	79.7	Confident	36 Å²	36	71.6 Å²	71.6	17%	0.168	37%	0.374	C	S	.	.	H	α-helix	trans	-61.2	-44.1	175.9	-73.1	-70.2	135.6	0	0	111.5	M128 T132 Y133 Q138 R139 E140	M128-E136 HydrophobicContact CE-CG 3.84Å; M128-E136 HydrophobicContact SD-CG 3.88Å; T132-E136 HydrophobicContact CG2-CG 4.41Å; T132-E136 VanDerWaalsContact O-CG 3.29Å; T132-E136 WeakPolarHBondContact O-CG 3.13Å; T132-E136 PolarHBondContact O-N 3.2Å; Y133-E136 PolarHBondContact O-N 3.09Å; E136-Q138 PolarHBondContact O-N 3.13Å; E136-R139 WeakPolarHBondContact O-CB 3.48Å; E136-R139 PolarHBondContact O-N 3.23Å; E136-R139 IonicContact OE1-CZ 3.77Å; E136-R139 IonicContact OE1-NH1 3.49Å; E136-R139 PolarHBondContact OE1-NH1 3.39Å; E136-R139 IonicContact OE2-CZ 3.94Å; E136-R139 IonicContact OE2-NH1 3.53Å; E136-R139 PolarHBondContact OE2-NH1 3.14Å; E136-R139 IonicContact OE2-NH2 3.62Å; E136-R139 PolarHBondContact OE2-NH2 2.82Å; E136-E140 WeakPolarHBondContact O-CG 3.36Å; E136-E140 PolarHBondContact O-N 2.98Å
137	K	80.1	Confident	81.3	Confident	102 Å²	102	71.7 Å²	71.7	44%	0.443	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-42.6	174.5	-85.8	-162.5	155.8	173.1	0	113.2	Y133 A134 R139 E140 E141	Y133-K137 HydrophobicContact CD1-CD 4.47Å; Y133-K137 HydrophobicContact CE1-CD 3.65Å; Y133-K137 HydrophobicContact CE1-CG 4.2Å; Y133-K137 PolarHBondContact O-N 3.42Å; Y133-K137 WeakPolarHBondContact OH-CE 3.37Å; Y133-K137 PolarHBondContact OH-NZ 3.14Å; A134-K137 PolarHBondContact O-N 3.43Å; K137-R139 VanDerWaalsContact C-N 3.32Å; K137-R139 PolarHBondContact O-N 2.81Å; K137-E140 PolarHBondContact O-N 3.28Å; K137-E141 PolarHBondContact O-N 2.81Å
138	Q	81.3	Confident	82.8	Confident	119 Å²	119	68.6 Å²	68.6	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-62.2	-41.6	175.2	-73.9	-178.4	-18.7	0	0	111.6	A134 L135 E136 E140 E141 M142	A134-Q138 WeakPolarHBondContact O-CG 3.21Å; A134-Q138 PolarHBondContact O-N 3.21Å; L135-Q138 PolarHBondContact O-N 3.5Å; E136-Q138 PolarHBondContact O-N 3.13Å; Q138-E140 VanDerWaalsContact C-N 3.33Å; Q138-E140 PolarHBondContact O-N 3.01Å; Q138-E141 PolarHBondContact O-N 2.91Å; Q138-M142 HydrophobicContact CB-CE 4.37Å; Q138-M142 WeakPolarHBondContact O-CB 3.35Å; Q138-M142 WeakPolarHBondContact O-CE 3.47Å; Q138-M142 WeakPolarHBondContact O-CG 3.22Å; Q138-M142 PolarHBondContact O-N 3.31Å
139	R	83.6	Confident	83.9	Confident	40 Å²	40	67.2 Å²	67.2	15%	0.151	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-45.6	175.7	-170.3	-170.9	76.2	-134.6	-13.6	111	L135 E136 K137 E141 M142 T143 H246	L135-R139 PolarHBondContact O-N 2.97Å; E136-R139 WeakPolarHBondContact O-CB 3.48Å; E136-R139 PolarHBondContact O-N 3.23Å; E136-R139 IonicContact OE1-CZ 3.77Å; E136-R139 IonicContact OE1-NH1 3.49Å; E136-R139 PolarHBondContact OE1-NH1 3.39Å; E136-R139 IonicContact OE2-CZ 3.94Å; E136-R139 IonicContact OE2-NH1 3.53Å; E136-R139 PolarHBondContact OE2-NH1 3.14Å; E136-R139 IonicContact OE2-NH2 3.62Å; E136-R139 PolarHBondContact OE2-NH2 2.82Å; K137-R139 VanDerWaalsContact C-N 3.32Å; K137-R139 PolarHBondContact O-N 2.81Å; R139-E141 VanDerWaalsContact C-N 3.34Å; R139-E141 PolarHBondContact O-N 3.39Å; R139-M142 PolarHBondContact O-N 3.45Å; R139-T143 HydrophobicContact CG-CG2 4.33Å; R139-T143 WeakPolarHBondContact O-CB 3.4Å; R139-T143 WeakPolarHBondContact O-CG2 3.24Å; R139-T143 PolarHBondContact O-N 3.09Å; R139-T143 PolarHBondContact O-OG1 2.85Å; R139-H246 PolarHBondContact NH2-ND1 2.68Å
140	E	82.3	Confident	84.6	Confident	21 Å²	21	63.8 Å²	63.8	10%	0.098	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-42.5	179.3	-75.1	177.8	-154.6	0	0	112.5	R71 Y125 E136 K137 Q138 T143 R144	R71-E140 IonicContact CZ-OE2 2.69Å; R71-E140 VanDerWaalsContact CZ-OE2 3.26Å; R71-E140 VanDerWaalsContact NH1-CD 3.3Å; R71-E140 IonicContact NH1-OE2 3.98Å; R71-E140 PolarHBondContact NH1-OE2 3.45Å; R71-E140 VanDerWaalsContact NH2-CD 3.28Å; R71-E140 IonicContact NH2-OE1 2.77Å; R71-E140 IonicContact NH2-OE2 3.95Å; R71-E140 PolarHBondContact NH2-OE2 2.75Å; Y125-E140 WeakPolarHBondContact CE1-OE1 3.4Å; Y125-E140 VanDerWaalsContact CZ-OE1 3.27Å; Y125-E140 PolarHBondContact OH-OE1 2.89Å; Y125-E140 PolarHBondContact OH-OE2 3.03Å; E136-E140 WeakPolarHBondContact O-CG 3.36Å; E136-E140 PolarHBondContact O-N 2.98Å; K137-E140 PolarHBondContact O-N 3.28Å; Q138-E140 VanDerWaalsContact C-N 3.33Å; Q138-E140 PolarHBondContact O-N 3.01Å; E140-T143 CarbonylContact O-C 3.44Å; E140-T143 PolarHBondContact O-N 3.02Å; E140-R144 WeakPolarHBondContact O-CA 3.46Å; E140-R144 WeakPolarHBondContact O-CB 3.41Å; E140-R144 PolarHBondContact O-N 3.16Å
141	E	82.5	Confident	85.6	Confident	124 Å²	124	59.2 Å²	59.2	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-64	-46.3	176	-168.2	62	-157.4	0	0	111.1	K137 Q138 R139 T143 R144	K137-E141 PolarHBondContact O-N 2.81Å; Q138-E141 PolarHBondContact O-N 2.91Å; R139-E141 VanDerWaalsContact C-N 3.34Å; R139-E141 PolarHBondContact O-N 3.39Å; E141-T143 VanDerWaalsContact C-N 3.26Å; E141-T143 PolarHBondContact O-N 3.29Å; E141-R144 VanDerWaalsContact O-CB 3.32Å; E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.32Å; E141-R144 IonicContact OE1-NH1 3.57Å; E141-R144 IonicContact OE2-NH1 2.8Å
142	M	83.1	Confident	86.4	Confident	143 Å²	143	55 Å²	55	70%	0.704	27%	0.27	S	S	*	.	H	α-helix	trans	-63.3	-31.2	177.8	-74.3	-172.2	-73.4	0	0	113.4	Q138 R139	Q138-M142 HydrophobicContact CB-CE 4.37Å; Q138-M142 WeakPolarHBondContact O-CB 3.35Å; Q138-M142 WeakPolarHBondContact O-CE 3.47Å; Q138-M142 WeakPolarHBondContact O-CG 3.22Å; Q138-M142 PolarHBondContact O-N 3.31Å; R139-M142 PolarHBondContact O-N 3.45Å
143	T	87.1	Confident	87.4	Confident	31 Å²	31	52.8 Å²	52.8	19%	0.19	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.7	-175.7	61.3	0	0	0	0	113.3	R139 E140 E141 I145 Y163	R139-T143 HydrophobicContact CG-CG2 4.33Å; R139-T143 WeakPolarHBondContact O-CB 3.4Å; R139-T143 WeakPolarHBondContact O-CG2 3.24Å; R139-T143 PolarHBondContact O-N 3.09Å; R139-T143 PolarHBondContact O-OG1 2.85Å; E140-T143 CarbonylContact O-C 3.44Å; E140-T143 PolarHBondContact O-N 3.02Å; E141-T143 VanDerWaalsContact C-N 3.26Å; E141-T143 PolarHBondContact O-N 3.29Å; T143-I145 VanDerWaalsContact C-N 3.26Å; T143-I145 PolarHBondContact O-N 3.03Å; T143-Y163 HydrophobicContact CG2-CD1 3.67Å; T143-Y163 HydrophobicContact CG2-CE1 4.11Å; T143-Y163 HydrophobicContact CG2-CG 4.41Å; T143-Y163 VanDerWaalsContact O-CB 3.26Å; T143-Y163 WeakPolarHBondContact O-CB 3.17Å
144	R	88.8	Confident	88.1	Confident	73 Å²	73	50.5 Å²	50.5	28%	0.275	25%	0.249	S	C	.	.			trans	-58.3	-37.9	-176.9	-168.4	173	-179.5	-176.2	-3.7	112.4	E47 I49 F63 E140 E141	E47-R144 IonicContact OE1-CZ 2.71Å; E47-R144 IonicContact OE1-NH1 2.63Å; E47-R144 IonicContact OE1-NH2 2.98Å; E47-R144 PolarHBondContact OE1-NH2 3.21Å; E47-R144 IonicContact OE2-NH2 3.7Å; E47-R144 PolarHBondContact OE2-NH2 3.49Å; I49-R144 HydrophobicContact CG2-CG 4.2Å; F63-R144 VanDerWaalsContact CE1-O 3.29Å; F63-R144 WeakPolarHBondContact CE1-O 3.48Å; E140-R144 WeakPolarHBondContact O-CA 3.46Å; E140-R144 WeakPolarHBondContact O-CB 3.41Å; E140-R144 PolarHBondContact O-N 3.16Å; E141-R144 VanDerWaalsContact O-CB 3.32Å; E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.32Å; E141-R144 IonicContact OE1-NH1 3.57Å; E141-R144 IonicContact OE2-NH1 2.8Å
145	I	89.6	Confident	88.6	Confident	38 Å²	38	53.8 Å²	53.8	20%	0.195	27%	0.269	C	S	.	.			trans	-94.7	117.9	-173.9	-58.4	165.9	0	0	0	111.2	I49 A50 F63 W76 T143 Y147 Y163	I49-I145 HydrophobicContact CG2-CG1 4.03Å; A50-I145 HydrophobicContact CB-CD1 3.65Å; A50-I145 HydrophobicContact CB-CG1 4.1Å; A50-I145 HydrophobicContact CB-CG2 4.39Å; F63-I145 HydrophobicContact CD1-CG1 4.39Å; F63-I145 HydrophobicContact CD1-CG2 4.35Å; W76-I145 HydrophobicContact CH2-CG2 4.22Å; W76-I145 HydrophobicContact CZ2-CG2 3.64Å; T143-I145 VanDerWaalsContact C-N 3.26Å; T143-I145 PolarHBondContact O-N 3.03Å; I145-Y147 HydrophobicContact CB-CE2 4.19Å; I145-Y147 HydrophobicContact CG2-CD1 4.07Å; I145-Y147 HydrophobicContact CG2-CD2 4.18Å; I145-Y147 HydrophobicContact CG2-CE1 3.81Å; I145-Y147 HydrophobicContact CG2-CE2 3.93Å; I145-Y147 HydrophobicContact CG2-CG 4.25Å; I145-Y147 PolarHBondContact O-N 2.92Å; I145-Y163 WeakPolarHBondContact O-CD2 3.19Å
146	K	91.2	Very high	89.3	Confident	13 Å²	13	50.6 Å²	50.6	6%	0.057	26%	0.255	C	S	.	.			trans	-90.5	88.4	174.4	177.3	175	79.7	-164.3	0	111.4	F63 D74 W76 V148 T160 W161	F63-K146 HydrophobicContact CE2-CB 4.02Å; F63-K146 HydrophobicContact CZ-CB 3.89Å; D74-K146 WeakPolarHBondContact O-CE 3.17Å; D74-K146 PolarHBondContact O-NZ 3.3Å; W76-K146 PolarHBondContact NE1-O 2.91Å; K146-V148 WeakPolarHBondContact CG-O 3.32Å; K146-T160 WeakPolarHBondContact CD-OG1 3.39Å; K146-T160 VanDerWaalsContact CE-O 3.27Å; K146-T160 WeakPolarHBondContact CE-O 3.28Å; K146-T160 PolarHBondContact NZ-O 3.45Å; K146-W161 VanDerWaalsContact CD-C 3.48Å; K146-W161 WeakPolarHBondContact CD-O 3.2Å; K146-W161 PolarHBondContact NZ-O 3.28Å
147	Y	89.5	Confident	90.1	Very high	70 Å²	70	56.4 Å²	56.4	28%	0.275	28%	0.276	S	S	.	.			trans	-65.3	-50.3	-179.3	-67.3	-76.7	0	0	0	113.4	R52 W76 I145 S149 Y163 G171 M172	R52-Y147 PolarHBondContact NH1-O 3.45Å; W76-Y147 HydrophobicContact CZ2-CD1 4.14Å; W76-Y147 HydrophobicContact CZ2-CE1 4.49Å; I145-Y147 HydrophobicContact CB-CE2 4.19Å; I145-Y147 HydrophobicContact CG2-CD1 4.07Å; I145-Y147 HydrophobicContact CG2-CD2 4.18Å; I145-Y147 HydrophobicContact CG2-CE1 3.81Å; I145-Y147 HydrophobicContact CG2-CE2 3.93Å; I145-Y147 HydrophobicContact CG2-CG 4.25Å; I145-Y147 PolarHBondContact O-N 2.92Å; Y147-S149 PolarHBondContact O-N 3.13Å; Y147-S149 VanDerWaalsContact O-N 3.09Å; Y147-S149 PolarHBondContact O-OG 2.86Å; Y147-Y163 HydrophobicContact CD2-CD2 4.45Å; Y147-Y163 HydrophobicContact CD2-CE2 4.42Å; Y147-G171 WeakPolarHBondContact CB-O 3.33Å; Y147-M172 HydrophobicContact CD1-CE 4.34Å; Y147-M172 HydrophobicContact CD1-SD 4.19Å; Y147-M172 HydrophobicContact CD2-SD 4.36Å; Y147-M172 HydrophobicContact CE1-CE 4.08Å; Y147-M172 HydrophobicContact CE1-SD 4.3Å; Y147-M172 HydrophobicContact CE2-SD 4.46Å; Y147-M172 HydrophobicContact CG-SD 4.22Å
148	V	94.2	Very high	90.8	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.055	26%	0.258	C	S	.	.			trans	-71	106.7	172.9	-176.6	0	0	0	0	107.8	K146 I151 T160 Y166 S173 L176	K146-V148 WeakPolarHBondContact CG-O 3.32Å; V148-I151 HydrophobicContact CG1-CG2 4.05Å; V148-T160 HydrophobicContact CG1-CG2 4.24Å; V148-T160 PolarHBondContact O-OG1 2.9Å; V148-Y166 HydrophobicContact CG2-CD2 4.34Å; V148-S173 VanDerWaalsContact CA-O 3.28Å; V148-S173 WeakPolarHBondContact CA-O 3.49Å; V148-S173 WeakPolarHBondContact CG2-O 3.28Å; V148-L176 HydrophobicContact CG1-CB 4.38Å; V148-L176 HydrophobicContact CG1-CD1 4.02Å; V148-L176 HydrophobicContact CG1-CG 3.97Å; V148-L176 HydrophobicContact CG2-CD1 3.82Å; V148-L176 HydrophobicContact CG2-CG 4.2Å
149	S	93.3	Very high	91.5	Very high	28 Å²	28	50.4 Å²	50.4	20%	0.196	25%	0.25	C	C	.	.			trans	-86.8	-35.7	-174.2	-43.8	0	0	0	0	111.8	R52 Y147 T160 P174	R52-S149 PolarHBondContact NH1-OG 3.39Å; R52-S149 PolarHBondContact NH2-OG 2.9Å; Y147-S149 PolarHBondContact O-N 3.13Å; Y147-S149 VanDerWaalsContact O-N 3.09Å; Y147-S149 PolarHBondContact O-OG 2.86Å; S149-T160 PolarHBondContact O-N 3.1Å; S149-T160 PolarHBondContact O-OG1 3.29Å; S149-P174 PolarHBondContact N-O 2.83Å
150	A	95.6	Very high	92.1	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.5	178.8	0	0	0	0	0	112.1	R157 I158 P174 R175 L176	A150-R157 HydrophobicContact CB-CG 4.36Å; A150-I158 CarbonylContact C-O 3.53Å; A150-I158 VanDerWaalsContact CA-O 3.24Å; A150-I158 WeakPolarHBondContact CA-O 3.46Å; A150-P174 PolarHBondContact N-O 2.87Å; A150-R175 VanDerWaalsContact O-CA 3.23Å; A150-R175 WeakPolarHBondContact O-CA 3.37Å; A150-L176 PolarHBondContact O-N 3.28Å
151	I	97.9	Very high	92.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.6	170	65.3	172.7	0	0	0	110.6	V148 F153 R157 I158 T160 L176 V178 L239 F243	V148-I151 HydrophobicContact CG1-CG2 4.05Å; I151-F153 HydrophobicContact CD1-CB 4.3Å; I151-R157 CarbonylContact O-C 3.49Å; I151-R157 WeakPolarHBondContact O-CA 3.33Å; I151-I158 HydrophobicContact CD1-CD1 4.44Å; I151-I158 HydrophobicContact CG1-CB 3.95Å; I151-I158 HydrophobicContact CG1-CD1 4.46Å; I151-I158 PolarHBondContact N-O 3.03Å; I151-I158 PolarHBondContact O-N 2.63Å; I151-T160 HydrophobicContact CG2-CG2 3.91Å; I151-L176 CarbonylContact C-O 3.11Å; I151-L176 VanDerWaalsContact CA-O 3.26Å; I151-L176 WeakPolarHBondContact CA-O 3.44Å; I151-L176 HydrophobicContact CG2-CB 4.3Å; I151-V178 HydrophobicContact CB-CG2 4.36Å; I151-V178 HydrophobicContact CG2-CG2 4.36Å; I151-L239 HydrophobicContact CD1-CD1 3.35Å; I151-F243 HydrophobicContact CD1-CE2 4.08Å; I151-F243 HydrophobicContact CD1-CZ 3.85Å
152	H	97.9	Very high	93.3	Very high	42 Å²	42	45.1 Å²	45.1	19%	0.194	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.3	161.3	-171.4	73.6	0	0	0	108.1	G154 C156 L176 F177 V178 Y192	H152-G154 PolarHBondContact CE1-O 3.27Å; H152-G154 PolarHBondContact NE2-O 2.65Å; H152-C156 CarbonylContact C-O 3.52Å; H152-C156 WeakPolarHBondContact CA-O 3.3Å; H152-C156 PolarHBondContact ND1-O 3.18Å; H152-L176 PolarHBondContact N-O 3.29Å; H152-F177 HydrophobicContact CB-CD1 3.52Å; H152-F177 HydrophobicContact CB-CE1 3.94Å; H152-F177 HydrophobicContact CB-CG 4.21Å; H152-F177 AromaticContact CD2-CD1 3.72Å; H152-F177 AromaticContact CG-CD1 3.82Å; H152-V178 PolarHBondContact O-N 3Å; H152-Y192 AromaticContact CD2-CE1 3.81Å; H152-Y192 AromaticContact CD2-CZ 3.97Å; H152-Y192 AromaticContact NE2-CE1 3.94Å
153	F	97.3	Very high	93.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	112.4	-177.3	-173.2	-102.6	0	0	0	108.5	I151 S155 C156 I158 V178 D180 F183 L239 A271 F293 Y296	I151-F153 HydrophobicContact CD1-CB 4.3Å; F153-S155 PolarHBondContact O-N 3.44Å; F153-C156 PolarHBondContact N-O 3.04Å; F153-C156 PolarHBondContact O-N 2.89Å; F153-I158 HydrophobicContact CB-CD1 3.68Å; F153-I158 HydrophobicContact CD1-CD1 4.25Å; F153-I158 HydrophobicContact CG-CD1 4.3Å; F153-V178 HydrophobicContact CD2-CB 4.2Å; F153-V178 HydrophobicContact CD2-CG1 4.14Å; F153-V178 HydrophobicContact CE2-CG1 4.42Å; F153-D180 HydrophobicContact CD1-CB 4.06Å; F153-D180 HydrophobicContact CD2-CB 4.01Å; F153-D180 HydrophobicContact CE1-CB 3.75Å; F153-D180 HydrophobicContact CE2-CB 3.71Å; F153-D180 HydrophobicContact CG-CB 4.2Å; F153-D180 HydrophobicContact CZ-CB 3.57Å; F153-F183 HydrophobicContact CE2-CD1 4.23Å; F153-F183 HydrophobicContact CE2-CE1 4.33Å; F153-F183 HydrophobicContact CZ-CE1 4.34Å; F153-L239 HydrophobicContact CD2-CD2 4.09Å; F153-L239 HydrophobicContact CE2-CD2 3.54Å; F153-L239 HydrophobicContact CZ-CD2 4.25Å; F153-A271 WeakPolarHBondContact CE1-O 3.41Å; F153-A271 HydrophobicContact CZ-CB 4.33Å; F153-A271 WeakPolarHBondContact CZ-O 3.11Å; F153-F293 HydrophobicContact CE1-CB 4.22Å; F153-F293 AromaticContact CE1-CD2 3.88Å; F153-F293 HydrophobicContact CE1-CD2 3.88Å; F153-F293 HydrophobicContact CE1-CG 4.16Å; F153-F293 AromaticContact CZ-CD2 3.71Å; F153-F293 HydrophobicContact CZ-CD2 3.71Å; F153-F293 AromaticContact CZ-CE2 3.93Å; F153-F293 HydrophobicContact CZ-CE2 3.93Å; F153-F293 HydrophobicContact CZ-CG 4.22Å; F153-Y296 HydrophobicContact CE1-CE2 4.07Å
154	G	92.8	Very high	94.2	Very high	8 Å²	8	40.4 Å²	40.4	8%	0.082	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-124.7	-169.7	0	0	0	0	0	111.3	H152 D180 Y192	H152-G154 PolarHBondContact CE1-O 3.27Å; H152-G154 PolarHBondContact NE2-O 2.65Å; G154-D180 WeakPolarHBondContact CA-OD2 3.48Å; G154-Y192 PolarHBondContact O-OH 2.98Å
155	S	91.3	Very high	94.5	Very high	117 Å²	117	38.5 Å²	38.5	82%	0.818	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.4	173.2	53.8	0	0	0	0	113.3	F153	F153-S155 PolarHBondContact O-N 3.44Å
156	C	95.9	Very high	94.8	Very high	43 Å²	43	37.1 Å²	37.1	29%	0.291	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.5	-171.7	-59	0	0	0	0	112.4	H152 F153 I158 P295	H152-C156 CarbonylContact C-O 3.52Å; H152-C156 WeakPolarHBondContact CA-O 3.3Å; H152-C156 PolarHBondContact ND1-O 3.18Å; F153-C156 PolarHBondContact N-O 3.04Å; F153-C156 PolarHBondContact O-N 2.89Å; C156-I158 HydrophobicContact CB-CD1 4.44Å; C156-I158 HydrophobicContact CB-CG1 4.02Å; C156-P295 HydrophobicContact CB-CG 3.83Å
157	R	96.2	Very high	95.1	Very high	158 Å²	158	38.8 Å²	38.8	60%	0.596	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	123	158.4	178.9	-174.5	174.9	-87.1	2.9	107.7	A150 I151 E159	A150-R157 HydrophobicContact CB-CG 4.36Å; I151-R157 CarbonylContact O-C 3.49Å; I151-R157 WeakPolarHBondContact O-CA 3.33Å; R157-E159 IonicContact NH1-OE1 2.63Å; R157-E159 PolarHBondContact NH1-OE1 3.1Å
158	I	96.5	Very high	95.2	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.3	-175	-52.2	168.2	0	0	0	108.4	A150 I151 F153 C156 F243 P294 P295	A150-I158 CarbonylContact C-O 3.53Å; A150-I158 VanDerWaalsContact CA-O 3.24Å; A150-I158 WeakPolarHBondContact CA-O 3.46Å; I151-I158 HydrophobicContact CD1-CD1 4.44Å; I151-I158 HydrophobicContact CG1-CB 3.95Å; I151-I158 HydrophobicContact CG1-CD1 4.46Å; I151-I158 PolarHBondContact N-O 3.03Å; I151-I158 PolarHBondContact O-N 2.63Å; F153-I158 HydrophobicContact CB-CD1 3.68Å; F153-I158 HydrophobicContact CD1-CD1 4.25Å; F153-I158 HydrophobicContact CG-CD1 4.3Å; C156-I158 HydrophobicContact CB-CD1 4.44Å; C156-I158 HydrophobicContact CB-CG1 4.02Å; I158-F243 HydrophobicContact CG2-CE1 3.83Å; I158-F243 HydrophobicContact CG2-CZ 3.79Å; I158-P294 HydrophobicContact CG2-CB 3.93Å; I158-P294 HydrophobicContact CG2-CG 3.7Å; I158-P295 HydrophobicContact CD1-CG 3.61Å; I158-P295 HydrophobicContact CG1-CG 4.1Å
159	E	95.4	Very high	95.1	Very high	82 Å²	82	45.1 Å²	45.1	38%	0.383	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134	169.9	-62.8	-170.9	165	0	0	109.9	R157	R157-E159 IonicContact NH1-OE1 2.63Å; R157-E159 PolarHBondContact NH1-OE1 3.1Å
160	T	95.9	Very high	95.1	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.248	C	C	.	.			trans	-79.6	155.5	178.5	56.8	0	0	0	0	110.3	K146 V148 S149 I151 V242	K146-T160 WeakPolarHBondContact CD-OG1 3.39Å; K146-T160 VanDerWaalsContact CE-O 3.27Å; K146-T160 WeakPolarHBondContact CE-O 3.28Å; K146-T160 PolarHBondContact NZ-O 3.45Å; V148-T160 HydrophobicContact CG1-CG2 4.24Å; V148-T160 PolarHBondContact O-OG1 2.9Å; S149-T160 PolarHBondContact O-N 3.1Å; S149-T160 PolarHBondContact O-OG1 3.29Å; I151-T160 HydrophobicContact CG2-CG2 3.91Å; T160-V242 HydrophobicContact CG2-CB 3.89Å; T160-V242 HydrophobicContact CG2-CG1 4.17Å; T160-V242 HydrophobicContact CG2-CG2 4.03Å
161	W	94.6	Very high	94.9	Very high	54 Å²	54	47.3 Å²	47.3	21%	0.205	25%	0.251	C	S	.	.			trans	-103.2	-42.6	-179.1	-63.2	-12.1	0	0	0	112	R72 K146 V242 F243 F329	R72-W161 HydrophobicContact CB-CB 4.25Å; R72-W161 HydrophobicContact CB-CG 4.33Å; R72-W161 HydrophobicContact CG-CB 4.03Å; R72-W161 HydrophobicContact CG-CG 4.26Å; K146-W161 VanDerWaalsContact CD-C 3.48Å; K146-W161 WeakPolarHBondContact CD-O 3.2Å; K146-W161 PolarHBondContact NZ-O 3.28Å; W161-V242 WeakPolarHBondContact CA-O 3.23Å; W161-V242 WeakPolarHBondContact CB-O 3.1Å; W161-V242 PolarHBondContact N-O 2.88Å; W161-F243 HydrophobicContact CD2-CD1 4.02Å; W161-F243 HydrophobicContact CE3-CB 4.17Å; W161-F243 HydrophobicContact CE3-CD1 4.27Å; W161-F243 HydrophobicContact CG-CD1 4.25Å; W161-F243 HydrophobicContact CZ3-CB 4.48Å; W161-F329 AromaticContact CH2-CE2 3.78Å; W161-F329 HydrophobicContact CH2-CE2 3.78Å; W161-F329 HydrophobicContact CH2-CZ 4.4Å; W161-F329 HydrophobicContact CZ3-CD2 4.41Å; W161-F329 AromaticContact CZ3-CE2 3.83Å; W161-F329 HydrophobicContact CZ3-CE2 3.83Å
162	Y	94.5	Very high	94.4	Very high	19 Å²	19	52.7 Å²	52.7	8%	0.075	28%	0.278	C	S	.	.	S	Bend	trans	-128.8	162.8	-171.7	-56.6	-71.9	0	0	0	112.6	R72 V242 D245	R72-Y162 HydrophobicContact CG-CE1 4.02Å; R72-Y162 HydrophobicContact CG-CE2 4.09Å; R72-Y162 WeakPolarHBondContact CG-OH 2.88Å; R72-Y162 PolarHBondContact NE-OH 3.03Å; R72-Y162 PolarHBondContact NH2-OH 2.98Å; Y162-V242 PolarHBondContact N-O 3.42Å; Y162-D245 HydrophobicContact CD1-CB 4.04Å; Y162-D245 HydrophobicContact CD2-CB 4.32Å; Y162-D245 HydrophobicContact CE1-CB 3.6Å; Y162-D245 WeakPolarHBondContact CE1-OD2 3.43Å; Y162-D245 HydrophobicContact CE2-CB 3.92Å; Y162-D245 HydrophobicContact CG-CB 4.35Å
163	Y	94.3	Very high	94.1	Very high	67 Å²	67	51 Å²	51	26%	0.263	27%	0.271	S	S	.	.			trans	-57.7	141.7	166.6	169.5	-93	0	0	0	111.4	T143 I145 Y147 P165 K241	T143-Y163 HydrophobicContact CG2-CD1 3.67Å; T143-Y163 HydrophobicContact CG2-CE1 4.11Å; T143-Y163 HydrophobicContact CG2-CG 4.41Å; T143-Y163 VanDerWaalsContact O-CB 3.26Å; T143-Y163 WeakPolarHBondContact O-CB 3.17Å; I145-Y163 WeakPolarHBondContact O-CD2 3.19Å; Y147-Y163 HydrophobicContact CD2-CD2 4.45Å; Y147-Y163 HydrophobicContact CD2-CE2 4.42Å; Y163-P165 HydrophobicContact CE1-CB 3.86Å; Y163-P165 HydrophobicContact CE1-CG 4.47Å; Y163-P165 WeakPolarHBondContact OH-CA 3.14Å; Y163-K241 VanDerWaalsContact O-CG 3.31Å; Y163-K241 WeakPolarHBondContact O-CG 3.23Å; Y163-K241 PolarHBondContact O-NZ 3.07Å
164	S	95.6	Very high	93.9	Very high	7 Å²	7	51.4 Å²	51.4	5%	0.049	27%	0.274	C	S	.	.			trans	-134.7	135.8	168.2	176.3	0	0	0	0	110.7	Y166 L238	S164-Y166 PolarHBondContact O-N 2.93Å; S164-Y166 WeakPolarHBondContact OG-CE2 3.3Å; S164-L238 WeakPolarHBondContact CB-O 3.24Å; S164-L238 PolarHBondContact OG-O 3.14Å
165	P	95.1	Very high	94	Very high	34 Å²	34	55.8 Å²	55.8	22%	0.221	29%	0.288	C	S	.	.			trans	-81.1	55.8	-171.7	35.2	-37.9	0	0	0	112.4	Y163 L238 C250 Y251	Y163-P165 HydrophobicContact CE1-CB 3.86Å; Y163-P165 HydrophobicContact CE1-CG 4.47Å; Y163-P165 WeakPolarHBondContact OH-CA 3.14Å; P165-L238 HydrophobicContact CG-CD2 4.02Å; P165-L238 WeakPolarHBondContact O-CD2 3.34Å; P165-C250 HydrophobicContact CG-CB 4.15Å; P165-Y251 HydrophobicContact CB-CE2 4.3Å; P165-Y251 HydrophobicContact CG-CE2 4.05Å; P165-Y251 PolarHBondContact O-OH 3.32Å
166	Y	96.7	Very high	94.3	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.035	25%	0.249	C	C	.	.			trans	-61.6	139.8	172.5	-76	-86.4	0	0	0	110.7	V148 S164 G171 L176 Y185 L238 L239 V242	V148-Y166 HydrophobicContact CG2-CD2 4.34Å; S164-Y166 PolarHBondContact O-N 2.93Å; S164-Y166 WeakPolarHBondContact OG-CE2 3.3Å; Y166-G171 WeakPolarHBondContact O-CA 3.24Å; Y166-G171 PolarHBondContact O-N 3.42Å; Y166-L176 HydrophobicContact CD1-CD1 3.96Å; Y166-L176 HydrophobicContact CD2-CD1 3.85Å; Y166-L176 HydrophobicContact CE1-CD1 3.97Å; Y166-L176 HydrophobicContact CE2-CD1 3.86Å; Y166-L176 HydrophobicContact CG-CD1 3.89Å; Y166-Y185 AromaticContact CD1-CD1 3.8Å; Y166-Y185 HydrophobicContact CD1-CD1 3.8Å; Y166-Y185 AromaticContact CD1-CD2 3.96Å; Y166-Y185 HydrophobicContact CD1-CD2 3.96Å; Y166-Y185 AromaticContact CD1-CE1 3.89Å; Y166-Y185 HydrophobicContact CD1-CE1 3.89Å; Y166-Y185 HydrophobicContact CD1-CE2 4.1Å; Y166-Y185 AromaticContact CD1-CG 3.81Å; Y166-Y185 HydrophobicContact CD1-CG 3.81Å; Y166-Y185 AromaticContact CE1-CD1 3.45Å; Y166-Y185 HydrophobicContact CE1-CD1 3.45Å; Y166-Y185 VanDerWaalsContact CE1-CD1 3.45Å; Y166-Y185 HydrophobicContact CE1-CD2 4.22Å; Y166-Y185 AromaticContact CE1-CE1 3.93Å; Y166-Y185 HydrophobicContact CE1-CE1 3.93Å; Y166-Y185 AromaticContact CE1-CG 3.6Å; Y166-Y185 HydrophobicContact CE1-CG 3.6Å; Y166-L238 HydrophobicContact CD1-CB 4.11Å; Y166-L238 HydrophobicContact CD1-CD1 4.05Å; Y166-L238 HydrophobicContact CD1-CG 4.5Å; Y166-L238 HydrophobicContact CE1-CB 3.68Å; Y166-L238 HydrophobicContact CE1-CD1 4.26Å; Y166-L238 HydrophobicContact CE2-CB 4.36Å; Y166-L238 PolarHBondContact OH-O 2.77Å; Y166-L239 VanDerWaalsContact OH-CA 3.31Å; Y166-L239 WeakPolarHBondContact OH-CA 3.48Å; Y166-L239 PolarHBondContact OH-N 3.49Å; Y166-V242 HydrophobicContact CE2-CG1 4.07Å
167	P	95.5	Very high	94.4	Very high	48 Å²	48	48.5 Å²	48.5	31%	0.312	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	147.8	-171.5	28.7	-34.4	0	0	0	112.6	K169 Y170 Y185 Y251	P167-K169 PolarHBondContact O-N 3.5Å; P167-Y170 HydrophobicContact CG-CD2 4.49Å; P167-Y170 WeakPolarHBondContact O-CB 3.49Å; P167-Y170 WeakPolarHBondContact O-CD2 3.35Å; P167-Y170 PolarHBondContact O-N 3.03Å; P167-Y170 VanDerWaalsContact O-N 3.1Å; P167-Y185 WeakPolarHBondContact CD-OH 3.36Å; P167-Y185 HydrophobicContact CG-CE2 4.43Å; P167-Y185 VanDerWaalsContact CG-OH 3.23Å; P167-Y185 WeakPolarHBondContact CG-OH 3.32Å; P167-Y251 WeakPolarHBondContact CD-OH 3.48Å
168	G	92.2	Very high	94.5	Very high	66 Å²	66	41 Å²	41	68%	0.68	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	48	-129.6	171.1	0	0	0	0	0	113.9	Y170 G171	G168-Y170 PolarHBondContact O-N 3.33Å; G168-Y170 VanDerWaalsContact O-N 3.11Å; G168-G171 PolarHBondContact O-N 3.32Å
169	K	92.3	Very high	94.6	Very high	145 Å²	145	40.3 Å²	40.3	63%	0.63	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-62.7	-19	-176.9	70.6	-177.4	178.4	-171.5	0	114.7	P167 S173	P167-K169 PolarHBondContact O-N 3.5Å; K169-S173 PolarHBondContact O-N 2.84Å
170	Y	94.5	Very high	94.6	Very high	68 Å²	68	36.4 Å²	36.4	27%	0.267	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-73.8	-40.3	-178.7	-60.4	-81.6	0	0	0	111.2	P167 G168 M172 S173 L176 Y185 T187	P167-Y170 HydrophobicContact CG-CD2 4.49Å; P167-Y170 WeakPolarHBondContact O-CB 3.49Å; P167-Y170 WeakPolarHBondContact O-CD2 3.35Å; P167-Y170 PolarHBondContact O-N 3.03Å; P167-Y170 VanDerWaalsContact O-N 3.1Å; G168-Y170 PolarHBondContact O-N 3.33Å; G168-Y170 VanDerWaalsContact O-N 3.11Å; Y170-M172 PolarHBondContact O-N 2.61Å; Y170-S173 WeakPolarHBondContact O-CB 3.26Å; Y170-S173 PolarHBondContact O-N 3.03Å; Y170-L176 HydrophobicContact CD1-CD2 4.05Å; Y170-Y185 AromaticContact CD1-CD2 3.59Å; Y170-Y185 HydrophobicContact CD1-CD2 3.59Å; Y170-Y185 AromaticContact CD1-CE2 3.91Å; Y170-Y185 HydrophobicContact CD1-CE2 3.91Å; Y170-Y185 HydrophobicContact CD2-CD2 4.29Å; Y170-Y185 AromaticContact CD2-CE2 3.73Å; Y170-Y185 HydrophobicContact CD2-CE2 3.73Å; Y170-Y185 AromaticContact CE1-CD2 3.96Å; Y170-Y185 HydrophobicContact CE1-CD2 3.96Å; Y170-Y185 HydrophobicContact CE1-CE2 4.21Å; Y170-Y185 HydrophobicContact CE2-CE2 4.08Å; Y170-Y185 AromaticContact CG-CD2 3.77Å; Y170-Y185 HydrophobicContact CG-CD2 3.77Å; Y170-Y185 AromaticContact CG-CE2 3.65Å; Y170-Y185 HydrophobicContact CG-CE2 3.65Å; Y170-T187 HydrophobicContact CD1-CG2 3.61Å; Y170-T187 HydrophobicContact CE1-CG2 3.73Å
171	G	90.7	Very high	94.6	Very high	9 Å²	9	36.4 Å²	36.4	9%	0.093	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.3	175.2	0	0	0	0	0	113.5	Y147 Y166 G168	Y147-G171 WeakPolarHBondContact CB-O 3.33Å; Y166-G171 WeakPolarHBondContact O-CA 3.24Å; Y166-G171 PolarHBondContact O-N 3.42Å; G168-G171 PolarHBondContact O-N 3.32Å
172	M	87.8	Confident	94.7	Very high	114 Å²	114	34.4 Å²	34.4	56%	0.562	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-1.9	179.1	-55.6	-58.6	-85.6	0	0	113.5	Y147 Y170 P174	Y147-M172 HydrophobicContact CD1-CE 4.34Å; Y147-M172 HydrophobicContact CD1-SD 4.19Å; Y147-M172 HydrophobicContact CD2-SD 4.36Å; Y147-M172 HydrophobicContact CE1-CE 4.08Å; Y147-M172 HydrophobicContact CE1-SD 4.3Å; Y147-M172 HydrophobicContact CE2-SD 4.46Å; Y147-M172 HydrophobicContact CG-SD 4.22Å; Y170-M172 PolarHBondContact O-N 2.61Å; M172-P174 WeakPolarHBondContact O-CD 3.37Å
173	S	91.3	Very high	94.8	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.049	18%	0.177	C	C	.	.			trans	-79.9	124.9	-176.2	-169.2	0	0	0	0	110.7	V148 K169 Y170 R175	V148-S173 VanDerWaalsContact CA-O 3.28Å; V148-S173 WeakPolarHBondContact CA-O 3.49Å; V148-S173 WeakPolarHBondContact CG2-O 3.28Å; K169-S173 PolarHBondContact O-N 2.84Å; Y170-S173 WeakPolarHBondContact O-CB 3.26Å; Y170-S173 PolarHBondContact O-N 3.03Å; S173-R175 PolarHBondContact O-N 2.81Å; S173-R175 VanDerWaalsContact O-N 3.07Å; S173-R175 PolarHBondContact OG-O 2.86Å
174	P	92.9	Very high	95	Very high	10 Å²	10	35.5 Å²	35.5	7%	0.065	19%	0.187	C	C	.	.	S	Bend	trans	-56.8	-27.9	175.2	-26.7	34.8	0	0	0	113.5	T55 S149 A150 M172	T55-P174 WeakPolarHBondContact OG1-CD 3.49Å; S149-P174 PolarHBondContact N-O 2.83Å; A150-P174 PolarHBondContact N-O 2.87Å; M172-P174 WeakPolarHBondContact O-CD 3.37Å
175	R	95	Very high	95.1	Very high	99 Å²	99	36.7 Å²	36.7	37%	0.374	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.1	178.4	-175	176.7	62.7	180	-3.3	111.9	A150 S173	A150-R175 VanDerWaalsContact O-CA 3.23Å; A150-R175 WeakPolarHBondContact O-CA 3.37Å; S173-R175 PolarHBondContact O-N 2.81Å; S173-R175 VanDerWaalsContact O-N 3.07Å; S173-R175 PolarHBondContact OG-O 2.86Å
176	L	97.8	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.3	169.2	-66.3	177.8	0	0	0	111.3	V148 A150 I151 H152 Y166 Y170 V178 T187	V148-L176 HydrophobicContact CG1-CB 4.38Å; V148-L176 HydrophobicContact CG1-CD1 4.02Å; V148-L176 HydrophobicContact CG1-CG 3.97Å; V148-L176 HydrophobicContact CG2-CD1 3.82Å; V148-L176 HydrophobicContact CG2-CG 4.2Å; A150-L176 PolarHBondContact O-N 3.28Å; I151-L176 CarbonylContact C-O 3.11Å; I151-L176 VanDerWaalsContact CA-O 3.26Å; I151-L176 WeakPolarHBondContact CA-O 3.44Å; I151-L176 HydrophobicContact CG2-CB 4.3Å; H152-L176 PolarHBondContact N-O 3.29Å; Y166-L176 HydrophobicContact CD1-CD1 3.96Å; Y166-L176 HydrophobicContact CD2-CD1 3.85Å; Y166-L176 HydrophobicContact CE1-CD1 3.97Å; Y166-L176 HydrophobicContact CE2-CD1 3.86Å; Y166-L176 HydrophobicContact CG-CD1 3.89Å; Y170-L176 HydrophobicContact CD1-CD2 4.05Å; L176-V178 HydrophobicContact CB-CG2 4.36Å; L176-T187 HydrophobicContact CD2-CG2 4.35Å
177	F	98.1	Very high	95.1	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.3	169.1	-64.2	-97.2	0	0	0	107.9	H152 Y185 M186 L189 Y192	H152-F177 HydrophobicContact CB-CD1 3.52Å; H152-F177 HydrophobicContact CB-CE1 3.94Å; H152-F177 HydrophobicContact CB-CG 4.21Å; H152-F177 AromaticContact CD2-CD1 3.72Å; H152-F177 AromaticContact CG-CD1 3.82Å; F177-Y185 CarbonylContact O-C 3.47Å; F177-Y185 WeakPolarHBondContact O-CA 3.49Å; F177-M186 HydrophobicContact CB-CB 4.45Å; F177-M186 PolarHBondContact N-O 2.89Å; F177-M186 PolarHBondContact O-N 3.49Å; F177-L189 HydrophobicContact CD1-CB 4.49Å; F177-L189 HydrophobicContact CD1-CD1 4.17Å; F177-L189 HydrophobicContact CE1-CB 3.83Å; F177-L189 HydrophobicContact CE1-CD1 3.81Å; F177-L189 HydrophobicContact CE1-CG 4.35Å; F177-L189 HydrophobicContact CE2-CB 4.48Å; F177-L189 HydrophobicContact CZ-CB 3.82Å; F177-Y192 HydrophobicContact CB-CD2 3.9Å; F177-Y192 HydrophobicContact CB-CG 3.99Å; F177-Y192 HydrophobicContact CD1-CG 4.35Å
178	V	98.5	Very high	95	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.1	-174.5	-175.6	0	0	0	0	108.8	I151 H152 F153 L176 D180 F183 L239	I151-V178 HydrophobicContact CB-CG2 4.36Å; I151-V178 HydrophobicContact CG2-CG2 4.36Å; H152-V178 PolarHBondContact O-N 3Å; F153-V178 HydrophobicContact CD2-CB 4.2Å; F153-V178 HydrophobicContact CD2-CG1 4.14Å; F153-V178 HydrophobicContact CE2-CG1 4.42Å; L176-V178 HydrophobicContact CB-CG2 4.36Å; V178-D180 PolarHBondContact O-N 3.11Å; V178-F183 WeakPolarHBondContact CG1-O 3.12Å; V178-L239 HydrophobicContact CG1-CD1 4.19Å; V178-L239 HydrophobicContact CG1-CD2 4.04Å; V178-L239 HydrophobicContact CG2-CD1 4.48Å
179	C	97.4	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.			trans	-65.5	122	174.2	-173.9	0	0	0	0	110	I181 C182 F183 K184 H195	C179-I181 PolarHBondContact O-N 3.23Å; C179-I181 PolarHBondContact SG-N 2.94Å; C179-I181 VanDerWaalsContact SG-N 3.35Å; C179-C182 PolarHBondContact SG-N 3.36Å; C179-F183 WeakPolarHBondContact O-CA 3.48Å; C179-F183 PolarHBondContact O-N 2.82Å; C179-K184 PolarHBondContact N-O 3.43Å; C179-H195 WeakPolarHBondContact CB-NE2 3.07Å; C179-H195 PolarHBondContact SG-NE2 3.38Å; C179-H195 VanDerWaalsContact SG-NE2 3.42Å
180	D	96.2	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.4	171.2	60.3	-27.4	0	0	0	114	F153 G154 V178 R196 H270 A271	F153-D180 HydrophobicContact CD1-CB 4.06Å; F153-D180 HydrophobicContact CD2-CB 4.01Å; F153-D180 HydrophobicContact CE1-CB 3.75Å; F153-D180 HydrophobicContact CE2-CB 3.71Å; F153-D180 HydrophobicContact CG-CB 4.2Å; F153-D180 HydrophobicContact CZ-CB 3.57Å; G154-D180 WeakPolarHBondContact CA-OD2 3.48Å; V178-D180 PolarHBondContact O-N 3.11Å; D180-R196 IonicContact OD1-CZ 3.23Å; D180-R196 IonicContact OD1-NE 3.71Å; D180-R196 PolarHBondContact OD1-NE 3.45Å; D180-R196 IonicContact OD1-NH2 2.87Å; D180-R196 PolarHBondContact OD1-NH2 3.14Å; D180-R196 IonicContact OD2-CZ 3.7Å; D180-R196 IonicContact OD2-NH2 3.79Å; D180-R196 PolarHBondContact OD2-NH2 3.32Å; D180-H270 IonicContact OD2-CE1 3.83Å; D180-H270 IonicContact OD2-CG 3.56Å; D180-H270 IonicContact OD2-ND1 2.75Å; D180-H270 PolarHBondContact OD2-ND1 3.2Å; D180-A271 VanDerWaalsContact O-CB 3.24Å; D180-A271 WeakPolarHBondContact O-CB 3.11Å; D180-A271 PolarHBondContact O-N 3.27Å
181	I	95.6	Very high	95.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-45.6	174	-48.3	-173.8	0	0	0	110.9	C179 I199 L203 Y262 R269	C179-I181 PolarHBondContact O-N 3.23Å; C179-I181 PolarHBondContact SG-N 2.94Å; C179-I181 VanDerWaalsContact SG-N 3.35Å; I181-I199 HydrophobicContact CB-CG2 4.29Å; I181-I199 HydrophobicContact CD1-CG2 3.88Å; I181-I199 HydrophobicContact CG2-CG2 4.48Å; I181-L203 HydrophobicContact CG2-CD1 3.29Å; I181-L203 HydrophobicContact CG2-CD2 3.88Å; I181-L203 HydrophobicContact CG2-CG 4.22Å; I181-Y262 PolarHBondContact O-OH 2.7Å; I181-R269 HydrophobicContact CG2-CG 4.37Å
182	C	96.1	Very high	95.6	Very high	12 Å²	12	36.8 Å²	36.8	8%	0.081	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	4.6	-174.4	77.8	0	0	0	0	115.7	C179 K184 H195 I199 L203 Y232	C179-C182 PolarHBondContact SG-N 3.36Å; C182-K184 PolarHBondContact O-N 2.79Å; C182-K184 WeakPolarHBondContact SG-CB 3.48Å; C182-H195 PolarHBondContact SG-CE1 2.86Å; C182-H195 PolarHBondContact SG-NE2 3.28Å; C182-I199 HydrophobicContact CB-CD1 3.89Å; C182-I199 HydrophobicContact CB-CG1 3.89Å; C182-L203 HydrophobicContact CB-CD2 3.53Å; C182-Y232 HydrophobicContact CB-CD2 4.21Å; C182-Y232 HydrophobicContact CB-CE2 4.44Å
183	F	98	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.			trans	63.9	1.4	-179	-45.5	-59.6	0	0	0	116.2	F153 V178 C179 Y185 Y232 N235 L236 L239 V260 A271 F293	F153-F183 HydrophobicContact CE2-CD1 4.23Å; F153-F183 HydrophobicContact CE2-CE1 4.33Å; F153-F183 HydrophobicContact CZ-CE1 4.34Å; V178-F183 WeakPolarHBondContact CG1-O 3.12Å; C179-F183 WeakPolarHBondContact O-CA 3.48Å; C179-F183 PolarHBondContact O-N 2.82Å; F183-Y185 PolarHBondContact O-N 2.88Å; F183-Y232 HydrophobicContact CD2-CD1 4.35Å; F183-Y232 HydrophobicContact CD2-CD2 4.24Å; F183-Y232 AromaticContact CD2-CE1 3.94Å; F183-Y232 HydrophobicContact CD2-CE1 3.94Å; F183-Y232 AromaticContact CD2-CE2 3.86Å; F183-Y232 HydrophobicContact CD2-CE2 3.86Å; F183-Y232 HydrophobicContact CD2-CG 4.47Å; F183-Y232 AromaticContact CD2-CZ 3.7Å; F183-Y232 HydrophobicContact CE2-CD1 4.47Å; F183-Y232 AromaticContact CE2-CE1 3.64Å; F183-Y232 HydrophobicContact CE2-CE1 3.64Å; F183-Y232 AromaticContact CE2-CE2 3.85Å; F183-Y232 HydrophobicContact CE2-CE2 3.85Å; F183-Y232 AromaticContact CE2-CZ 3.28Å; F183-Y232 WeakPolarHBondContact CE2-OH 3.28Å; F183-N235 HydrophobicContact CB-CB 3.73Å; F183-N235 WeakPolarHBondContact O-CB 3.22Å; F183-L236 HydrophobicContact CD1-CD1 4.29Å; F183-L236 HydrophobicContact CD2-CB 3.61Å; F183-L236 HydrophobicContact CD2-CD1 4Å; F183-L236 HydrophobicContact CD2-CD2 4.45Å; F183-L236 HydrophobicContact CD2-CG 4.23Å; F183-L236 HydrophobicContact CE1-CD1 3.99Å; F183-L236 HydrophobicContact CE2-CB 3.91Å; F183-L236 HydrophobicContact CE2-CD1 3.64Å; F183-L236 HydrophobicContact CE2-CD2 3.91Å; F183-L236 HydrophobicContact CE2-CG 4.03Å; F183-L236 HydrophobicContact CG-CB 4.17Å; F183-L236 HydrophobicContact CG-CD1 4.29Å; F183-L236 HydrophobicContact CZ-CD1 3.65Å; F183-L239 HydrophobicContact CD1-CD2 3.54Å; F183-L239 HydrophobicContact CE1-CD2 4.06Å; F183-L239 HydrophobicContact CG-CD2 4.44Å; F183-V260 HydrophobicContact CE2-CG1 4.26Å; F183-V260 HydrophobicContact CZ-CG1 3.87Å; F183-A271 HydrophobicContact CE1-CB 3.4Å; F183-A271 HydrophobicContact CZ-CB 3.41Å; F183-A271 VanDerWaalsContact CZ-CB 3.41Å; F183-F293 AromaticContact CE1-CE2 3.84Å; F183-F293 HydrophobicContact CE1-CE2 3.84Å; F183-F293 AromaticContact CE1-CZ 3.96Å; F183-F293 HydrophobicContact CE1-CZ 3.96Å; F183-F293 HydrophobicContact CZ-CE2 4.37Å
184	K	97.2	Very high	96.1	Very high	108 Å²	108	45.7 Å²	45.7	47%	0.47	21%	0.207	S	C	.	.			trans	-56.7	128.7	175.1	-172.3	170.7	-172.7	168.5	0	110.6	C179 C182 M186	C179-K184 PolarHBondContact N-O 3.43Å; C182-K184 PolarHBondContact O-N 2.79Å; C182-K184 WeakPolarHBondContact SG-CB 3.48Å; K184-M186 WeakPolarHBondContact O-CE 3.34Å
185	Y	97.8	Very high	96.2	Very high	32 Å²	32	46.4 Å²	46.4	13%	0.125	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.3	-178.3	54.1	-94.7	0	0	0	112.1	Y166 P167 Y170 F177 F183 N235 L238	Y166-Y185 AromaticContact CD1-CD1 3.8Å; Y166-Y185 HydrophobicContact CD1-CD1 3.8Å; Y166-Y185 AromaticContact CD1-CD2 3.96Å; Y166-Y185 HydrophobicContact CD1-CD2 3.96Å; Y166-Y185 AromaticContact CD1-CE1 3.89Å; Y166-Y185 HydrophobicContact CD1-CE1 3.89Å; Y166-Y185 HydrophobicContact CD1-CE2 4.1Å; Y166-Y185 AromaticContact CD1-CG 3.81Å; Y166-Y185 HydrophobicContact CD1-CG 3.81Å; Y166-Y185 AromaticContact CE1-CD1 3.45Å; Y166-Y185 HydrophobicContact CE1-CD1 3.45Å; Y166-Y185 VanDerWaalsContact CE1-CD1 3.45Å; Y166-Y185 HydrophobicContact CE1-CD2 4.22Å; Y166-Y185 AromaticContact CE1-CE1 3.93Å; Y166-Y185 HydrophobicContact CE1-CE1 3.93Å; Y166-Y185 AromaticContact CE1-CG 3.6Å; Y166-Y185 HydrophobicContact CE1-CG 3.6Å; P167-Y185 WeakPolarHBondContact CD-OH 3.36Å; P167-Y185 HydrophobicContact CG-CE2 4.43Å; P167-Y185 VanDerWaalsContact CG-OH 3.23Å; P167-Y185 WeakPolarHBondContact CG-OH 3.32Å; Y170-Y185 AromaticContact CD1-CD2 3.59Å; Y170-Y185 HydrophobicContact CD1-CD2 3.59Å; Y170-Y185 AromaticContact CD1-CE2 3.91Å; Y170-Y185 HydrophobicContact CD1-CE2 3.91Å; Y170-Y185 HydrophobicContact CD2-CD2 4.29Å; Y170-Y185 AromaticContact CD2-CE2 3.73Å; Y170-Y185 HydrophobicContact CD2-CE2 3.73Å; Y170-Y185 AromaticContact CE1-CD2 3.96Å; Y170-Y185 HydrophobicContact CE1-CD2 3.96Å; Y170-Y185 HydrophobicContact CE1-CE2 4.21Å; Y170-Y185 HydrophobicContact CE2-CE2 4.08Å; Y170-Y185 AromaticContact CG-CD2 3.77Å; Y170-Y185 HydrophobicContact CG-CD2 3.77Å; Y170-Y185 AromaticContact CG-CE2 3.65Å; Y170-Y185 HydrophobicContact CG-CE2 3.65Å; F177-Y185 CarbonylContact O-C 3.47Å; F177-Y185 WeakPolarHBondContact O-CA 3.49Å; F183-Y185 PolarHBondContact O-N 2.88Å; Y185-N235 WeakPolarHBondContact CE1-OD1 3.33Å; Y185-L238 HydrophobicContact CE1-CD1 3.74Å
186	M	97.1	Very high	96.1	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.1	-175.3	-69.7	155.6	-76.7	0	0	110.2	F177 K184 S191 Y192 H195	F177-M186 HydrophobicContact CB-CB 4.45Å; F177-M186 PolarHBondContact N-O 2.89Å; F177-M186 PolarHBondContact O-N 3.49Å; K184-M186 WeakPolarHBondContact O-CE 3.34Å; M186-S191 VanDerWaalsContact SD-C 3.51Å; M186-Y192 HydrophobicContact CE-CD2 3.67Å; M186-Y192 HydrophobicContact CE-CG 4.38Å; M186-Y192 WeakPolarHBondContact SD-CA 3.47Å; M186-Y192 PolarHBondContact SD-N 3.16Å; M186-H195 HydrophobicContact CE-CB 4.24Å; M186-H195 HydrophobicContact SD-CB 3.78Å
187	T	94.3	Very high	95.7	Very high	48 Å²	48	48.8 Å²	48.8	29%	0.294	24%	0.235	S	C	.	.	S	Bend	trans	-94.1	-14.3	179	53	0	0	0	0	113.9	Y170 L176	Y170-T187 HydrophobicContact CD1-CG2 3.61Å; Y170-T187 HydrophobicContact CE1-CG2 3.73Å; L176-T187 HydrophobicContact CD2-CG2 4.35Å
188	S	93.7	Very high	95.3	Very high	39 Å²	39	52.2 Å²	52.2	27%	0.273	26%	0.26	S	S	.	.			trans	-129.6	142.6	-173	74.2	0	0	0	0	112.3	K190 S191 Y192	S188-K190 VanDerWaalsContact C-N 3.28Å; S188-K190 PolarHBondContact O-N 2.82Å; S188-S191 PolarHBondContact O-N 2.78Å; S188-S191 VanDerWaalsContact OG-CB 3.25Å; S188-S191 WeakPolarHBondContact OG-CB 3.47Å; S188-S191 PolarHBondContact OG-N 3.22Å; S188-S191 PolarHBondContact OG-OG 3.49Å; S188-Y192 PolarHBondContact O-N 3.06Å; S188-Y192 VanDerWaalsContact O-N 3.08Å
189	L	94.5	Very high	94.8	Very high	66 Å²	66	53 Å²	53	35%	0.346	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-36.7	173.5	-178.7	57.1	0	0	0	112.8	F177 S191 Y192 R193	F177-L189 HydrophobicContact CD1-CB 4.49Å; F177-L189 HydrophobicContact CD1-CD1 4.17Å; F177-L189 HydrophobicContact CE1-CB 3.83Å; F177-L189 HydrophobicContact CE1-CD1 3.81Å; F177-L189 HydrophobicContact CE1-CG 4.35Å; F177-L189 HydrophobicContact CE2-CB 4.48Å; F177-L189 HydrophobicContact CZ-CB 3.82Å; L189-S191 PolarHBondContact O-N 3.15Å; L189-Y192 HydrophobicContact CD1-CD1 4.15Å; L189-Y192 WeakPolarHBondContact O-CB 3.38Å; L189-Y192 PolarHBondContact O-N 3.02Å; L189-R193 HydrophobicContact CD1-CG 4.19Å; L189-R193 HydrophobicContact CG-CG 4.49Å; L189-R193 WeakPolarHBondContact O-CG 3.2Å; L189-R193 PolarHBondContact O-N 3.14Å
190	K	96.1	Very high	93.8	Very high	153 Å²	153	57 Å²	57	67%	0.665	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-47.1	177.4	-175.2	176.9	-177.1	176.5	0	111.8	S188 R194	S188-K190 VanDerWaalsContact C-N 3.28Å; S188-K190 PolarHBondContact O-N 2.82Å; K190-R194 PolarHBondContact O-N 3.45Å; K190-R194 VanDerWaalsContact O-N 3.14Å
191	S	96	Very high	92.5	Very high	47 Å²	47	64.6 Å²	64.6	33%	0.329	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-39.2	177.5	-57.4	0	0	0	0	111.8	M186 S188 L189 R194 H195	M186-S191 VanDerWaalsContact SD-C 3.51Å; S188-S191 PolarHBondContact O-N 2.78Å; S188-S191 VanDerWaalsContact OG-CB 3.25Å; S188-S191 WeakPolarHBondContact OG-CB 3.47Å; S188-S191 PolarHBondContact OG-N 3.22Å; S188-S191 PolarHBondContact OG-OG 3.49Å; L189-S191 PolarHBondContact O-N 3.15Å; S191-R194 PolarHBondContact O-N 2.98Å; S191-H195 WeakPolarHBondContact O-CB 3.44Å; S191-H195 PolarHBondContact O-N 2.98Å
192	Y	96.5	Very high	91.6	Very high	13 Å²	13	69.3 Å²	69.3	5%	0.051	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-49.6	174.5	175.4	-100.4	0	0	0	112.6	H152 G154 F177 M186 S188 L189 R194 H195 R196	H152-Y192 AromaticContact CD2-CE1 3.81Å; H152-Y192 AromaticContact CD2-CZ 3.97Å; H152-Y192 AromaticContact NE2-CE1 3.94Å; G154-Y192 PolarHBondContact O-OH 2.98Å; F177-Y192 HydrophobicContact CB-CD2 3.9Å; F177-Y192 HydrophobicContact CB-CG 3.99Å; F177-Y192 HydrophobicContact CD1-CG 4.35Å; M186-Y192 HydrophobicContact CE-CD2 3.67Å; M186-Y192 HydrophobicContact CE-CG 4.38Å; M186-Y192 WeakPolarHBondContact SD-CA 3.47Å; M186-Y192 PolarHBondContact SD-N 3.16Å; S188-Y192 PolarHBondContact O-N 3.06Å; S188-Y192 VanDerWaalsContact O-N 3.08Å; L189-Y192 HydrophobicContact CD1-CD1 4.15Å; L189-Y192 WeakPolarHBondContact O-CB 3.38Å; L189-Y192 PolarHBondContact O-N 3.02Å; Y192-R194 PolarHBondContact O-N 3.14Å; Y192-H195 PolarHBondContact O-N 3.44Å; Y192-R196 HydrophobicContact CE1-CG 4.06Å; Y192-R196 HydrophobicContact CE2-CG 4.14Å; Y192-R196 PolarHBondContact O-N 3.23Å; Y192-R196 PolarHBondContact OH-NE 2.9Å; Y192-R196 PolarHBondContact OH-NH2 2.84Å
193	R	95.2	Very high	91.2	Very high	160 Å²	160	70 Å²	70	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-59.9	-47.7	177.9	-72.7	176.8	-179.3	168.1	-2.1	111.8	L189 H195 R196 S197	L189-R193 HydrophobicContact CD1-CG 4.19Å; L189-R193 HydrophobicContact CG-CG 4.49Å; L189-R193 WeakPolarHBondContact O-CG 3.2Å; L189-R193 PolarHBondContact O-N 3.14Å; R193-H195 VanDerWaalsContact C-N 3.3Å; R193-H195 PolarHBondContact O-N 3.06Å; R193-R196 PolarHBondContact O-N 2.91Å; R193-S197 PolarHBondContact O-N 3.27Å; R193-S197 PolarHBondContact O-OG 2.91Å
194	R	95.2	Very high	90.9	Very high	149 Å²	149	70.6 Å²	70.6	56%	0.562	36%	0.355	S	S	*	.	H	α-helix	trans	-59.1	-42.8	177.6	-169.7	-172.5	-59.6	119.1	-7.1	111.9	K190 S191 Y192	K190-R194 PolarHBondContact O-N 3.45Å; K190-R194 VanDerWaalsContact O-N 3.14Å; S191-R194 PolarHBondContact O-N 2.98Å; Y192-R194 PolarHBondContact O-N 3.14Å
195	H	94.9	Very high	90.7	Very high	25 Å²	25	67.7 Å²	67.7	12%	0.116	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-48	178.1	170.5	65.7	0	0	0	111.9	C179 C182 M186 S191 Y192 R193 S197 S198 I199	C179-H195 WeakPolarHBondContact CB-NE2 3.07Å; C179-H195 PolarHBondContact SG-NE2 3.38Å; C179-H195 VanDerWaalsContact SG-NE2 3.42Å; C182-H195 PolarHBondContact SG-CE1 2.86Å; C182-H195 PolarHBondContact SG-NE2 3.28Å; M186-H195 HydrophobicContact CE-CB 4.24Å; M186-H195 HydrophobicContact SD-CB 3.78Å; S191-H195 WeakPolarHBondContact O-CB 3.44Å; S191-H195 PolarHBondContact O-N 2.98Å; Y192-H195 PolarHBondContact O-N 3.44Å; R193-H195 VanDerWaalsContact C-N 3.3Å; R193-H195 PolarHBondContact O-N 3.06Å; H195-S197 PolarHBondContact O-N 2.92Å; H195-S198 PolarHBondContact O-N 3.34Å; H195-S198 PolarHBondContact O-OG 3.32Å; H195-I199 PolarHBondContact O-N 2.82Å
196	R	92.1	Very high	90.6	Very high	44 Å²	44	71.1 Å²	71.1	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-54.3	-39.1	178.4	-89.4	-66.3	-147.1	105.1	7	112.5	D180 Y192 R193 S198 E268	D180-R196 IonicContact OD1-CZ 3.23Å; D180-R196 IonicContact OD1-NE 3.71Å; D180-R196 PolarHBondContact OD1-NE 3.45Å; D180-R196 IonicContact OD1-NH2 2.87Å; D180-R196 PolarHBondContact OD1-NH2 3.14Å; D180-R196 IonicContact OD2-CZ 3.7Å; D180-R196 IonicContact OD2-NH2 3.79Å; D180-R196 PolarHBondContact OD2-NH2 3.32Å; Y192-R196 HydrophobicContact CE1-CG 4.06Å; Y192-R196 HydrophobicContact CE2-CG 4.14Å; Y192-R196 PolarHBondContact O-N 3.23Å; Y192-R196 PolarHBondContact OH-NE 2.9Å; Y192-R196 PolarHBondContact OH-NH2 2.84Å; R193-R196 PolarHBondContact O-N 2.91Å; R196-S198 PolarHBondContact O-N 3.47Å; R196-S198 VanDerWaalsContact O-N 3.07Å; R196-E268 IonicContact NH1-OE2 3.87Å
197	S	89.8	Confident	90.5	Very high	105 Å²	105	73 Å²	73	73%	0.734	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-5.1	178.3	-55.2	0	0	0	0	115.6	R193 H195	R193-S197 PolarHBondContact O-N 3.27Å; R193-S197 PolarHBondContact O-OG 2.91Å; H195-S197 PolarHBondContact O-N 2.92Å
198	S	88.4	Confident	90.7	Very high	80 Å²	80	70.8 Å²	70.8	56%	0.559	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	-3.2	-171.4	62.1	0	0	0	0	115.2	H195 R196	H195-S198 PolarHBondContact O-N 3.34Å; H195-S198 PolarHBondContact O-OG 3.32Å; R196-S198 PolarHBondContact O-N 3.47Å; R196-S198 VanDerWaalsContact O-N 3.07Å
199	I	88.3	Confident	90.9	Very high	17 Å²	17	68.9 Å²	68.9	9%	0.087	35%	0.35	C	S	.	.			trans	-85.3	-17.2	-168.1	-169.9	50.8	0	0	0	114.4	I181 C182 H195 D201 N202 L203	I181-I199 HydrophobicContact CB-CG2 4.29Å; I181-I199 HydrophobicContact CD1-CG2 3.88Å; I181-I199 HydrophobicContact CG2-CG2 4.48Å; C182-I199 HydrophobicContact CB-CD1 3.89Å; C182-I199 HydrophobicContact CB-CG1 3.89Å; H195-I199 PolarHBondContact O-N 2.82Å; I199-D201 VanDerWaalsContact C-N 3.34Å; I199-D201 PolarHBondContact O-N 3.01Å; I199-N202 PolarHBondContact O-N 3.45Å; I199-L203 HydrophobicContact CD1-CD2 4.11Å; I199-L203 HydrophobicContact CG1-CD2 4.03Å
200	H	77.3	Confident	91	Very high	83 Å²	83	69.9 Å²	69.9	38%	0.384	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-37.8	-168	-65.9	-89.3	0	0	0	113.7	N202 E268	H200-N202 VanDerWaalsContact C-N 3.34Å; H200-N202 PolarHBondContact O-N 3.37Å; H200-E268 IonicContact CE1-OE1 2.69Å
201	D	69.3	Low	91.1	Very high	159 Å²	159	64 Å²	64	85%	0.85	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.8	-173.2	-57.3	-41.9	0	0	0	114.3	I199	I199-D201 VanDerWaalsContact C-N 3.34Å; I199-D201 PolarHBondContact O-N 3.01Å
202	N	76.8	Confident	91.1	Very high	101 Å²	101	67.9 Å²	67.9	54%	0.54	34%	0.341	S	S	.	.			trans	-137.8	66.1	-164.5	-160.2	19.5	0	0	0	111.9	I199 H200 K228	I199-N202 PolarHBondContact O-N 3.45Å; H200-N202 VanDerWaalsContact C-N 3.34Å; H200-N202 PolarHBondContact O-N 3.37Å; N202-K228 WeakPolarHBondContact O-CE 3.38Å; N202-K228 PolarHBondContact O-NZ 3.35Å; N202-K228 WeakPolarHBondContact OD1-CE 3.48Å; N202-K228 PolarHBondContact OD1-NZ 2.8Å
203	L	86.4	Confident	91.1	Very high	27 Å²	27	70.3 Å²	70.3	14%	0.141	36%	0.355	C	S	.	.			trans	-114.7	143.4	175.9	-69.1	159.2	0	0	0	111.4	I181 C182 I199 K228	I181-L203 HydrophobicContact CG2-CD1 3.29Å; I181-L203 HydrophobicContact CG2-CD2 3.88Å; I181-L203 HydrophobicContact CG2-CG 4.22Å; C182-L203 HydrophobicContact CB-CD2 3.53Å; I199-L203 HydrophobicContact CD1-CD2 4.11Å; I199-L203 HydrophobicContact CG1-CD2 4.03Å; L203-K228 VanDerWaalsContact N-NZ 3.12Å; L203-K228 PolarHBondContact O-NZ 3.29Å; L203-K228 VanDerWaalsContact O-NZ 3.1Å
204	P	92.6	Very high	91.3	Very high	12 Å²	12	63 Å²	63	8%	0.078	33%	0.327	C	S	.	.			trans	-80.6	172.8	178.2	31.8	-30.7	0	0	0	112	V219 K228 S229 Y232	P204-V219 HydrophobicContact CB-CG1 4.2Å; P204-V219 HydrophobicContact CG-CG1 4.22Å; P204-K228 HydrophobicContact CB-CG 4.37Å; P204-K228 HydrophobicContact CG-CG 4.46Å; P204-S229 WeakPolarHBondContact CB-OG 3.18Å; P204-Y232 HydrophobicContact CG-CD1 4.16Å; P204-Y232 HydrophobicContact CG-CD2 3.62Å; P204-Y232 HydrophobicContact CG-CE2 4.32Å; P204-Y232 HydrophobicContact CG-CG 3.52Å
205	G	93.4	Very high	91.4	Very high	46 Å²	46	55.9 Å²	55.9	47%	0.474	30%	0.301	S	S	.	.	S	Bend	trans	88.9	174.9	173.9	0	0	0	0	0	114.8	E218	G205-E218 CarbonylContact C-O 3.5Å; G205-E218 WeakPolarHBondContact CA-O 3.42Å
206	R	94.5	Very high	91.5	Very high	104 Å²	104	54.7 Å²	54.7	39%	0.392	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.2	-178	-170.2	178.2	59.4	123.6	1.5	109.7	L208 I217 E218 A420	R206-L208 VanDerWaalsContact CZ-CD2 3.44Å; R206-L208 PolarHBondContact O-N 2.78Å; R206-I217 CarbonylContact O-C 3.47Å; R206-I217 VanDerWaalsContact O-CA 3.28Å; R206-I217 WeakPolarHBondContact O-CA 3.47Å; R206-E218 PolarHBondContact N-O 2.7Å; R206-E218 IonicContact NH2-OE1 3.26Å; R206-E218 PolarHBondContact NH2-OE1 3.35Å; R206-E218 PolarHBondContact O-N 3.08Å; R206-A420 PolarHBondContact NH2-O 2.99Å
207	E	95.5	Very high	91.8	Very high	56 Å²	56	52.8 Å²	52.8	26%	0.262	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.3	175.9	-164	171.8	-174.8	0	0	110	R210 S215 I217 L418	E207-R210 IonicContact OE1-CZ 3.54Å; E207-R210 IonicContact OE1-NE 2.74Å; E207-R210 PolarHBondContact OE1-NE 2.87Å; E207-R210 IonicContact OE1-NH2 3.2Å; E207-R210 PolarHBondContact OE1-NH2 3.04Å; E207-R210 IonicContact OE2-NE 2.76Å; E207-R210 IonicContact OE2-NH2 2.82Å; E207-R210 PolarHBondContact OE2-NH2 3.18Å; E207-S215 WeakPolarHBondContact OE1-CB 3.48Å; E207-I217 HydrophobicContact CB-CG2 4.24Å; E207-I217 HydrophobicContact CG-CG2 4.36Å; E207-L418 HydrophobicContact CB-CD1 4.39Å; E207-L418 HydrophobicContact CG-CD1 3.91Å
208	L	97.3	Very high	92.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-29.2	-179.2	-61.7	-167.4	0	0	0	112.3	R206 I216 E218 Y259 F308 L417 L418 A419 P421	R206-L208 VanDerWaalsContact CZ-CD2 3.44Å; R206-L208 PolarHBondContact O-N 2.78Å; L208-I216 PolarHBondContact N-O 3.48Å; L208-E218 HydrophobicContact CD1-CB 3.53Å; L208-E218 HydrophobicContact CD1-CG 4.3Å; L208-E218 HydrophobicContact CD2-CB 4.18Å; L208-E218 HydrophobicContact CG-CB 3.72Å; L208-Y259 HydrophobicContact CD1-CD1 4.15Å; L208-Y259 HydrophobicContact CD1-CE1 3.74Å; L208-F308 HydrophobicContact CB-CZ 4.42Å; L208-L417 CarbonylContact O-C 3.43Å; L208-L417 WeakPolarHBondContact O-CA 3.24Å; L208-L417 WeakPolarHBondContact O-CD2 3.48Å; L208-L418 PolarHBondContact O-N 2.85Å; L208-A419 PolarHBondContact O-N 3.17Å; L208-P421 HydrophobicContact CD1-CB 3.98Å; L208-P421 HydrophobicContact CD1-CG 4.16Å
209	Y	98.4	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.9	-168.1	-171.1	-85.6	0	0	0	110.4	Q211 S215 I216 F304 F308 M311 V412 D413 Y416 L417	Y209-Q211 HydrophobicContact CD1-CB 4.39Å; Y209-Q211 HydrophobicContact CE1-CB 3.49Å; Y209-Q211 VanDerWaalsContact CE1-CB 3.49Å; Y209-Q211 PolarHBondContact OH-OE1 3.31Å; Y209-S215 CarbonylContact O-C 3.54Å; Y209-S215 WeakPolarHBondContact O-CA 3.39Å; Y209-I216 PolarHBondContact N-O 2.95Å; Y209-I216 PolarHBondContact O-N 3.5Å; Y209-F304 HydrophobicContact CD1-CZ 4.35Å; Y209-F304 HydrophobicContact CE1-CE1 4.36Å; Y209-F304 AromaticContact CE1-CZ 3.64Å; Y209-F304 HydrophobicContact CE1-CZ 3.64Å; Y209-F308 HydrophobicContact CD2-CD2 4.38Å; Y209-F308 AromaticContact CD2-CE2 3.66Å; Y209-F308 HydrophobicContact CD2-CE2 3.66Å; Y209-F308 HydrophobicContact CE2-CE2 4.42Å; Y209-F308 HydrophobicContact CG-CD2 4.48Å; Y209-F308 AromaticContact CG-CE2 3.73Å; Y209-F308 HydrophobicContact CG-CE2 3.73Å; Y209-M311 HydrophobicContact CD2-CE 4.45Å; Y209-V412 HydrophobicContact CE2-CG1 3.97Å; Y209-D413 VanDerWaalsContact CE2-O 3.27Å; Y209-D413 WeakPolarHBondContact CE2-O 3.5Å; Y209-D413 PolarHBondContact OH-N 3.37Å; Y209-D413 PolarHBondContact OH-O 2.99Å; Y209-Y416 WeakPolarHBondContact CA-O 3.48Å; Y209-L417 HydrophobicContact CD2-CD2 3.99Å; Y209-L417 HydrophobicContact CD2-CG 4.15Å
210	R	97.7	Very high	93	Very high	87 Å²	87	45.4 Å²	45.4	33%	0.328	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.8	171.8	178.3	171.3	-72.2	-122.3	1.6	110.9	E207 L214 Y416 L418	E207-R210 IonicContact OE1-CZ 3.54Å; E207-R210 IonicContact OE1-NE 2.74Å; E207-R210 PolarHBondContact OE1-NE 2.87Å; E207-R210 IonicContact OE1-NH2 3.2Å; E207-R210 PolarHBondContact OE1-NH2 3.04Å; E207-R210 IonicContact OE2-NE 2.76Å; E207-R210 IonicContact OE2-NH2 2.82Å; E207-R210 PolarHBondContact OE2-NH2 3.18Å; R210-L214 WeakPolarHBondContact CA-O 3.1Å; R210-Y416 PolarHBondContact N-O 2.82Å; R210-Y416 VanDerWaalsContact N-O 3.13Å; R210-Y416 WeakPolarHBondContact O-CB 3.3Å; R210-Y416 WeakPolarHBondContact O-CD1 3.18Å; R210-L418 HydrophobicContact CB-CD1 4.04Å; R210-L418 HydrophobicContact CB-CG 4.44Å
211	Q	97.2	Very high	93.8	Very high	28 Å²	28	41.5 Å²	41.5	13%	0.131	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122	175	177.9	-177.6	-12.3	0	0	108.9	Y209 N213 L214 I411 Y416	Y209-Q211 HydrophobicContact CD1-CB 4.39Å; Y209-Q211 HydrophobicContact CE1-CB 3.49Å; Y209-Q211 VanDerWaalsContact CE1-CB 3.49Å; Y209-Q211 PolarHBondContact OH-OE1 3.31Å; Q211-N213 PolarHBondContact O-N 3.38Å; Q211-L214 PolarHBondContact N-O 3.3Å; Q211-L214 WeakPolarHBondContact O-CB 3.47Å; Q211-L214 PolarHBondContact O-N 2.89Å; Q211-I411 PolarHBondContact OE1-O 2.99Å; Q211-Y416 HydrophobicContact CB-CD1 4.31Å; Q211-Y416 HydrophobicContact CB-CD2 3.82Å; Q211-Y416 HydrophobicContact CB-CE2 4.24Å; Q211-Y416 HydrophobicContact CB-CG 3.86Å; Q211-Y416 HydrophobicContact CG-CD1 4.47Å; Q211-Y416 HydrophobicContact CG-CD2 3.66Å; Q211-Y416 HydrophobicContact CG-CE1 4.42Å; Q211-Y416 HydrophobicContact CG-CE2 3.58Å; Q211-Y416 HydrophobicContact CG-CG 4.13Å
212	D	95.7	Very high	94.9	Very high	129 Å²	129	36.7 Å²	36.7	69%	0.69	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	-121.7	-179.3	-52	-46.8	0	0	0	110.9
213	N	96.9	Very high	95.4	Very high	65 Å²	65	34.5 Å²	34.5	35%	0.348	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	13.6	177.7	76.5	-38.8	0	0	0	113.7	Q211 E263 W264	Q211-N213 PolarHBondContact O-N 3.38Å; N213-E263 PolarHBondContact ND2-OE2 2.92Å; N213-E263 CarbonylContact O-C 3.52Å; N213-E263 WeakPolarHBondContact O-CA 3.38Å; N213-W264 PolarHBondContact O-N 3.28Å
214	L	98.5	Very high	95.4	Very high	6 Å²	6	44 Å²	44	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.5	-180	-59.2	-178.9	0	0	0	111.4	R210 Q211 L261 Y262 E263 Y301 F304 L410	R210-L214 WeakPolarHBondContact CA-O 3.1Å; Q211-L214 PolarHBondContact N-O 3.3Å; Q211-L214 WeakPolarHBondContact O-CB 3.47Å; Q211-L214 PolarHBondContact O-N 2.89Å; L214-L261 HydrophobicContact CB-CD1 4.11Å; L214-L261 HydrophobicContact CD2-CD1 4.31Å; L214-Y262 WeakPolarHBondContact CA-O 3.2Å; L214-E263 HydrophobicContact CD2-CB 4.23Å; L214-Y301 HydrophobicContact CD1-CD1 4.35Å; L214-Y301 HydrophobicContact CD1-CE1 3.86Å; L214-Y301 HydrophobicContact CD2-CE1 3.7Å; L214-Y301 HydrophobicContact CG-CE1 4.43Å; L214-F304 HydrophobicContact CD1-CE1 4.44Å; L214-L410 HydrophobicContact CD1-CD1 3.97Å
215	S	97.7	Very high	95	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.5	168.7	67.1	0	0	0	0	111.8	E207 Y209 L261 Y262 W264	E207-S215 WeakPolarHBondContact OE1-CB 3.48Å; Y209-S215 CarbonylContact O-C 3.54Å; Y209-S215 WeakPolarHBondContact O-CA 3.39Å; S215-L261 WeakPolarHBondContact O-CA 3.44Å; S215-Y262 PolarHBondContact N-O 2.96Å; S215-Y262 PolarHBondContact O-N 3.18Å; S215-W264 PolarHBondContact OG-NE1 3.27Å
216	I	98.6	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.8	170.3	-61.6	175.7	0	0	0	109.1	L208 Y209 Y259 V260 L261 F304 L305 F308	L208-I216 PolarHBondContact N-O 3.48Å; Y209-I216 PolarHBondContact N-O 2.95Å; Y209-I216 PolarHBondContact O-N 3.5Å; I216-Y259 HydrophobicContact CG2-CD1 4.38Å; I216-V260 WeakPolarHBondContact CA-O 3.35Å; I216-L261 HydrophobicContact CD1-CD1 4.4Å; I216-L261 HydrophobicContact CG1-CB 4.34Å; I216-L261 HydrophobicContact CG1-CD1 3.81Å; I216-F304 HydrophobicContact CD1-CD1 4.27Å; I216-F304 HydrophobicContact CD1-CE1 3.84Å; I216-L305 HydrophobicContact CD1-CD2 4.39Å; I216-F308 HydrophobicContact CB-CZ 4.35Å; I216-F308 HydrophobicContact CD1-CB 4.11Å; I216-F308 HydrophobicContact CD1-CD1 4.05Å; I216-F308 HydrophobicContact CD1-CD2 3.47Å; I216-F308 VanDerWaalsContact CD1-CD2 3.47Å; I216-F308 HydrophobicContact CD1-CE1 4.35Å; I216-F308 HydrophobicContact CD1-CE2 3.81Å; I216-F308 HydrophobicContact CD1-CG 3.6Å; I216-F308 HydrophobicContact CD1-CZ 4.24Å; I216-F308 HydrophobicContact CG2-CD1 4.46Å; I216-F308 HydrophobicContact CG2-CE1 4.03Å; I216-F308 HydrophobicContact CG2-CZ 4.17Å
217	I	97.6	Very high	94.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145.3	170.1	70.6	170.1	0	0	0	110.3	R206 E207 V219 Y259 V260 Y262	R206-I217 CarbonylContact O-C 3.47Å; R206-I217 VanDerWaalsContact O-CA 3.28Å; R206-I217 WeakPolarHBondContact O-CA 3.47Å; E207-I217 HydrophobicContact CB-CG2 4.24Å; E207-I217 HydrophobicContact CG-CG2 4.36Å; I217-V219 HydrophobicContact CD1-CG2 3.72Å; I217-V219 HydrophobicContact CG1-CG2 3.99Å; I217-Y259 CarbonylContact O-C 3.48Å; I217-Y259 VanDerWaalsContact O-CA 3.31Å; I217-Y259 WeakPolarHBondContact O-CA 3.32Å; I217-V260 HydrophobicContact CG1-CB 3.94Å; I217-V260 PolarHBondContact N-O 2.96Å; I217-V260 PolarHBondContact O-N 3.26Å; I217-Y262 HydrophobicContact CD1-CD2 4.44Å; I217-Y262 HydrophobicContact CD1-CE2 3.59Å; I217-Y262 HydrophobicContact CG1-CD2 4.3Å; I217-Y262 HydrophobicContact CG1-CE2 3.83Å
218	E	97.8	Very high	94.4	Very high	11 Å²	11	50.4 Å²	50.4	5%	0.051	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.1	168.1	175.7	-175.8	72.1	0	0	109.1	G205 R206 L208 F258 Y259 T422	G205-E218 CarbonylContact C-O 3.5Å; G205-E218 WeakPolarHBondContact CA-O 3.42Å; R206-E218 PolarHBondContact N-O 2.7Å; R206-E218 IonicContact NH2-OE1 3.26Å; R206-E218 PolarHBondContact NH2-OE1 3.35Å; R206-E218 PolarHBondContact O-N 3.08Å; L208-E218 HydrophobicContact CD1-CB 3.53Å; L208-E218 HydrophobicContact CD1-CG 4.3Å; L208-E218 HydrophobicContact CD2-CB 4.18Å; L208-E218 HydrophobicContact CG-CB 3.72Å; E218-F258 CarbonylContact C-O 3.41Å; E218-F258 WeakPolarHBondContact CA-O 3.48Å; E218-Y259 HydrophobicContact CB-CD1 4.3Å; E218-Y259 HydrophobicContact CB-CE1 4.14Å; E218-Y259 HydrophobicContact CG-CE1 4.11Å; E218-Y259 PolarHBondContact OE2-OH 3.43Å; E218-T422 WeakPolarHBondContact OE1-CB 3.38Å; E218-T422 PolarHBondContact OE1-OG1 3.06Å; E218-T422 WeakPolarHBondContact OE2-CB 3.49Å; E218-T422 PolarHBondContact OE2-N 3Å; E218-T422 PolarHBondContact OE2-OG1 2.88Å
219	V	97.3	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.1	175.9	-166.9	0	0	0	0	108.2	P204 I217 Y232 C233 F258	P204-V219 HydrophobicContact CB-CG1 4.2Å; P204-V219 HydrophobicContact CG-CG1 4.22Å; I217-V219 HydrophobicContact CD1-CG2 3.72Å; I217-V219 HydrophobicContact CG1-CG2 3.99Å; V219-Y232 HydrophobicContact CB-CD1 4.37Å; V219-Y232 HydrophobicContact CB-CE1 4.33Å; V219-Y232 HydrophobicContact CG1-CD1 3.94Å; V219-Y232 HydrophobicContact CG1-CE1 4.37Å; V219-Y232 HydrophobicContact CG2-CD1 4.13Å; V219-Y232 HydrophobicContact CG2-CE1 3.71Å; V219-C233 VanDerWaalsContact CG1-SG 3.54Å; V219-F258 HydrophobicContact CB-CB 4.41Å; V219-F258 PolarHBondContact N-O 3.11Å; V219-F258 PolarHBondContact O-N 3.5Å
220	D	95.9	Very high	94.2	Very high	37 Å²	37	53.6 Å²	53.6	20%	0.198	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.5	174.6	-170.1	-36.5	0	0	0	108.9	E222 S229 L257 K279 K424	D220-E222 PolarHBondContact O-N 3.38Å; D220-E222 WeakPolarHBondContact OD1-CB 3.44Å; D220-E222 PolarHBondContact OD1-N 2.82Å; D220-S229 WeakPolarHBondContact O-CB 3.35Å; D220-L257 HydrophobicContact CB-CD2 3.86Å; D220-K279 VanDerWaalsContact CG-CE 3.45Å; D220-K279 WeakPolarHBondContact OD1-CE 3.31Å; D220-K279 IonicContact OD1-NZ 2.85Å; D220-K279 PolarHBondContact OD1-NZ 2.78Å; D220-K279 WeakPolarHBondContact OD2-CE 3.46Å; D220-K279 IonicContact OD2-NZ 2.73Å; D220-K424 IonicContact OD2-NZ 3.99Å; D220-K424 PolarHBondContact OD2-NZ 2.91Å
221	G	94.7	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.			trans	-72.3	2.4	178.1	0	0	0	0	0	115.2	N223 E254 F256	G221-N223 PolarHBondContact O-N 3.48Å; G221-E254 WeakPolarHBondContact O-CA 3.49Å; G221-F256 PolarHBondContact N-O 3.14Å; G221-F256 VanDerWaalsContact N-O 3.13Å
222	E	92.3	Very high	94.1	Very high	59 Å²	59	51.4 Å²	51.4	28%	0.276	26%	0.264	S	S	.	.			trans	-54.3	128.3	176.5	-175.2	62.6	-118.8	0	0	112.2	D220 R224 K279	D220-E222 PolarHBondContact O-N 3.38Å; D220-E222 WeakPolarHBondContact OD1-CB 3.44Å; D220-E222 PolarHBondContact OD1-N 2.82Å; E222-R224 PolarHBondContact OE1-N 2.91Å; E222-K279 IonicContact OE2-NZ 3.58Å
223	N	87.1	Confident	94.2	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	23%	0.231	S	C	.	.			trans	-83.5	-42.1	177.9	-172.5	5.7	0	0	0	111.8	G221 G225 N226 E227 W230 E254	G221-N223 PolarHBondContact O-N 3.48Å; N223-G225 PolarHBondContact O-N 2.97Å; N223-N226 CarbonylContact O-C 3.59Å; N223-N226 PolarHBondContact O-N 3.27Å; N223-E227 PolarHBondContact O-N 2.97Å; N223-W230 HydrophobicContact CB-CB 4.16Å; N223-W230 HydrophobicContact CB-CD2 4.32Å; N223-W230 HydrophobicContact CB-CG 3.85Å; N223-E254 HydrophobicContact CB-CG 4.17Å; N223-E254 WeakPolarHBondContact CB-OE1 3.46Å
224	R	85.9	Confident	94.3	Very high	227 Å²	227	43.2 Å²	43.2	86%	0.857	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	108.5	-170.1	-171.4	179.2	179.5	-172.6	-0.2	111.6	E222 N226	E222-R224 PolarHBondContact OE1-N 2.91Å; R224-N226 PolarHBondContact O-N 3.15Å
225	G	86.2	Confident	94.3	Very high	89 Å²	89	43.5 Å²	43.5	92%	0.918	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	7.9	-178.5	0	0	0	0	0	114.5	N223	N223-G225 PolarHBondContact O-N 2.97Å
226	N	86.6	Confident	94.3	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	22%	0.221	S	C	.	.			trans	-144.2	42.1	-175.7	-163	4.4	0	0	0	113.1	N223 R224 K228 S229 W230	N223-N226 CarbonylContact O-C 3.59Å; N223-N226 PolarHBondContact O-N 3.27Å; R224-N226 PolarHBondContact O-N 3.15Å; N226-K228 PolarHBondContact O-N 3.07Å; N226-S229 VanDerWaalsContact CG-CB 3.49Å; N226-S229 WeakPolarHBondContact ND2-CB 3.1Å; N226-S229 PolarHBondContact ND2-OG 3.35Å; N226-S229 PolarHBondContact O-N 2.71Å; N226-S229 VanDerWaalsContact OD1-CB 3.28Å; N226-S229 WeakPolarHBondContact OD1-CB 3.36Å; N226-S229 PolarHBondContact OD1-OG 2.97Å; N226-W230 PolarHBondContact O-N 3.39Å; N226-W230 VanDerWaalsContact O-N 3.16Å
227	E	90.7	Very high	94.3	Very high	125 Å²	125	43.6 Å²	43.6	58%	0.584	22%	0.221	S	C	*	.	H	α-helix	trans	-47.9	-38.4	-178.5	-175.9	-175.4	179.1	0	0	113.2	N223 S229 W230 I231	N223-E227 PolarHBondContact O-N 2.97Å; E227-S229 PolarHBondContact O-N 3.1Å; E227-W230 HydrophobicContact CG-CE3 4.28Å; E227-W230 PolarHBondContact O-N 2.98Å; E227-I231 HydrophobicContact CG-CD1 3.82Å; E227-I231 HydrophobicContact CG-CG1 4.3Å; E227-I231 WeakPolarHBondContact O-CG1 2.85Å; E227-I231 PolarHBondContact O-N 3.01Å
228	K	92.2	Very high	94.4	Very high	77 Å²	77	43.5 Å²	43.5	34%	0.335	22%	0.221	S	C	.	.	H	α-helix	trans	-62.6	-40.9	179	-177.5	-176	165.5	-157.2	0	112.9	N202 L203 P204 N226 Y232	N202-K228 WeakPolarHBondContact O-CE 3.38Å; N202-K228 PolarHBondContact O-NZ 3.35Å; N202-K228 WeakPolarHBondContact OD1-CE 3.48Å; N202-K228 PolarHBondContact OD1-NZ 2.8Å; L203-K228 VanDerWaalsContact N-NZ 3.12Å; L203-K228 PolarHBondContact O-NZ 3.29Å; L203-K228 VanDerWaalsContact O-NZ 3.1Å; P204-K228 HydrophobicContact CB-CG 4.37Å; P204-K228 HydrophobicContact CG-CG 4.46Å; N226-K228 PolarHBondContact O-N 3.07Å; K228-Y232 VanDerWaalsContact O-CB 3.32Å; K228-Y232 WeakPolarHBondContact O-CB 3.42Å; K228-Y232 PolarHBondContact O-N 3.25Å; K228-Y232 VanDerWaalsContact O-N 3.13Å
229	S	95.3	Very high	94.4	Very high	5 Å²	5	43 Å²	43	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-70.5	-42.6	176	-57.9	0	0	0	0	110.6	P204 D220 N226 E227 I231 Y232 C233	P204-S229 WeakPolarHBondContact CB-OG 3.18Å; D220-S229 WeakPolarHBondContact O-CB 3.35Å; N226-S229 VanDerWaalsContact CG-CB 3.49Å; N226-S229 WeakPolarHBondContact ND2-CB 3.1Å; N226-S229 PolarHBondContact ND2-OG 3.35Å; N226-S229 PolarHBondContact O-N 2.71Å; N226-S229 VanDerWaalsContact OD1-CB 3.28Å; N226-S229 WeakPolarHBondContact OD1-CB 3.36Å; N226-S229 PolarHBondContact OD1-OG 2.97Å; E227-S229 PolarHBondContact O-N 3.1Å; S229-I231 PolarHBondContact O-N 3.18Å; S229-Y232 WeakPolarHBondContact O-CB 3.48Å; S229-Y232 PolarHBondContact O-N 2.63Å; S229-C233 WeakPolarHBondContact O-CB 3.4Å; S229-C233 PolarHBondContact O-N 2.71Å; S229-C233 PolarHBondContact O-SG 2.86Å
230	W	96.3	Very high	94.4	Very high	62 Å²	62	43 Å²	43	24%	0.235	22%	0.218	C	C	.	.	H	α-helix	trans	-56.1	-51.3	175	173.8	74.7	0	0	0	112.6	N223 N226 E227 Y232 C233 Q234 V253	N223-W230 HydrophobicContact CB-CB 4.16Å; N223-W230 HydrophobicContact CB-CD2 4.32Å; N223-W230 HydrophobicContact CB-CG 3.85Å; N226-W230 PolarHBondContact O-N 3.39Å; N226-W230 VanDerWaalsContact O-N 3.16Å; E227-W230 HydrophobicContact CG-CE3 4.28Å; E227-W230 PolarHBondContact O-N 2.98Å; W230-Y232 VanDerWaalsContact C-N 3.33Å; W230-Y232 PolarHBondContact O-N 2.86Å; W230-C233 PolarHBondContact O-N 3.37Å; W230-Q234 WeakPolarHBondContact O-CB 3.41Å; W230-Q234 PolarHBondContact O-N 3.48Å; W230-V253 HydrophobicContact CG-CG2 4.28Å
231	I	95.7	Very high	94.4	Very high	63 Å²	63	41.7 Å²	41.7	32%	0.323	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-41.8	176.4	-69.3	172.8	0	0	0	111.4	E227 S229 Q234 N235	E227-I231 HydrophobicContact CG-CD1 3.82Å; E227-I231 HydrophobicContact CG-CG1 4.3Å; E227-I231 WeakPolarHBondContact O-CG1 2.85Å; E227-I231 PolarHBondContact O-N 3.01Å; S229-I231 PolarHBondContact O-N 3.18Å; I231-Q234 PolarHBondContact O-N 3.21Å; I231-N235 WeakPolarHBondContact CG2-ND2 3.35Å; I231-N235 VanDerWaalsContact O-CB 3.32Å; I231-N235 WeakPolarHBondContact O-CB 3.01Å; I231-N235 PolarHBondContact O-N 3.39Å; I231-N235 PolarHBondContact O-ND2 3.46Å
232	Y	97.6	Very high	94.5	Very high	6 Å²	6	41.8 Å²	41.8	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-47.1	178.2	174.8	-78.6	0	0	0	111.4	C182 F183 P204 V219 K228 S229 W230 N235 L236 V260 Y262	C182-Y232 HydrophobicContact CB-CD2 4.21Å; C182-Y232 HydrophobicContact CB-CE2 4.44Å; F183-Y232 HydrophobicContact CD2-CD1 4.35Å; F183-Y232 HydrophobicContact CD2-CD2 4.24Å; F183-Y232 AromaticContact CD2-CE1 3.94Å; F183-Y232 HydrophobicContact CD2-CE1 3.94Å; F183-Y232 AromaticContact CD2-CE2 3.86Å; F183-Y232 HydrophobicContact CD2-CE2 3.86Å; F183-Y232 HydrophobicContact CD2-CG 4.47Å; F183-Y232 AromaticContact CD2-CZ 3.7Å; F183-Y232 HydrophobicContact CE2-CD1 4.47Å; F183-Y232 AromaticContact CE2-CE1 3.64Å; F183-Y232 HydrophobicContact CE2-CE1 3.64Å; F183-Y232 AromaticContact CE2-CE2 3.85Å; F183-Y232 HydrophobicContact CE2-CE2 3.85Å; F183-Y232 AromaticContact CE2-CZ 3.28Å; F183-Y232 WeakPolarHBondContact CE2-OH 3.28Å; P204-Y232 HydrophobicContact CG-CD1 4.16Å; P204-Y232 HydrophobicContact CG-CD2 3.62Å; P204-Y232 HydrophobicContact CG-CE2 4.32Å; P204-Y232 HydrophobicContact CG-CG 3.52Å; V219-Y232 HydrophobicContact CB-CD1 4.37Å; V219-Y232 HydrophobicContact CB-CE1 4.33Å; V219-Y232 HydrophobicContact CG1-CD1 3.94Å; V219-Y232 HydrophobicContact CG1-CE1 4.37Å; V219-Y232 HydrophobicContact CG2-CD1 4.13Å; V219-Y232 HydrophobicContact CG2-CE1 3.71Å; K228-Y232 VanDerWaalsContact O-CB 3.32Å; K228-Y232 WeakPolarHBondContact O-CB 3.42Å; K228-Y232 PolarHBondContact O-N 3.25Å; K228-Y232 VanDerWaalsContact O-N 3.13Å; S229-Y232 WeakPolarHBondContact O-CB 3.48Å; S229-Y232 PolarHBondContact O-N 2.63Å; W230-Y232 VanDerWaalsContact C-N 3.33Å; W230-Y232 PolarHBondContact O-N 2.86Å; Y232-N235 PolarHBondContact O-N 3.3Å; Y232-L236 HydrophobicContact CE1-CD2 4.47Å; Y232-L236 WeakPolarHBondContact O-CB 3.47Å; Y232-L236 PolarHBondContact O-N 2.92Å; Y232-V260 HydrophobicContact CE1-CG2 4.04Å; Y232-Y262 PolarHBondContact OH-OH 3.23Å
233	C	98.1	Very high	94.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-41.2	178.3	-69.6	0	0	0	0	112	V219 S229 W230 L236 C237 V253 F258	V219-C233 VanDerWaalsContact CG1-SG 3.54Å; S229-C233 WeakPolarHBondContact O-CB 3.4Å; S229-C233 PolarHBondContact O-N 2.71Å; S229-C233 PolarHBondContact O-SG 2.86Å; W230-C233 PolarHBondContact O-N 3.37Å; C233-L236 WeakPolarHBondContact O-CB 3.48Å; C233-L236 PolarHBondContact O-N 3.14Å; C233-C237 PolarHBondContact O-N 3.33Å; C233-C237 PolarHBondContact O-SG 2.86Å; C233-V253 HydrophobicContact CB-CB 3.98Å; C233-V253 HydrophobicContact CB-CG1 4.31Å; C233-V253 HydrophobicContact CB-CG2 3.91Å; C233-F258 HydrophobicContact CB-CD2 3.8Å; C233-F258 HydrophobicContact CB-CE2 3.59Å; C233-F258 HydrophobicContact CB-CG 4.39Å; C233-F258 HydrophobicContact CB-CZ 4.03Å; C233-F258 WeakPolarHBondContact SG-CD2 3.39Å
234	Q	97.9	Very high	94.9	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-45.7	175.2	-177	-176	-24.9	0	0	111.4	W230 I231 L236 C237 L238 Y251 V253	W230-Q234 WeakPolarHBondContact O-CB 3.41Å; W230-Q234 PolarHBondContact O-N 3.48Å; I231-Q234 PolarHBondContact O-N 3.21Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.19Å; Q234-C237 WeakPolarHBondContact O-CB 3.47Å; Q234-C237 PolarHBondContact O-N 3.41Å; Q234-L238 HydrophobicContact CG-CD1 4.44Å; Q234-L238 WeakPolarHBondContact O-CG 3.41Å; Q234-L238 PolarHBondContact O-N 2.62Å; Q234-Y251 HydrophobicContact CG-CD1 4.17Å; Q234-V253 HydrophobicContact CB-CG1 4.4Å
235	N	98.5	Very high	94.9	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.064	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-41.4	176.5	-70.5	-18.3	0	0	0	111.9	F183 Y185 I231 Y232 C237 L238 L239	F183-N235 HydrophobicContact CB-CB 3.73Å; F183-N235 WeakPolarHBondContact O-CB 3.22Å; Y185-N235 WeakPolarHBondContact CE1-OD1 3.33Å; I231-N235 WeakPolarHBondContact CG2-ND2 3.35Å; I231-N235 VanDerWaalsContact O-CB 3.32Å; I231-N235 WeakPolarHBondContact O-CB 3.01Å; I231-N235 PolarHBondContact O-N 3.39Å; I231-N235 PolarHBondContact O-ND2 3.46Å; Y232-N235 PolarHBondContact O-N 3.3Å; N235-C237 VanDerWaalsContact C-N 3.35Å; N235-L238 PolarHBondContact O-N 2.85Å; N235-L239 WeakPolarHBondContact O-CB 3.47Å; N235-L239 PolarHBondContact O-N 2.91Å
236	L	98.7	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59	-46.2	173.6	177	52.2	0	0	0	111.1	F183 Y232 C233 Q234 L238 L239 S240 F258 V260 Y274 F293	F183-L236 HydrophobicContact CD1-CD1 4.29Å; F183-L236 HydrophobicContact CD2-CB 3.61Å; F183-L236 HydrophobicContact CD2-CD1 4Å; F183-L236 HydrophobicContact CD2-CD2 4.45Å; F183-L236 HydrophobicContact CD2-CG 4.23Å; F183-L236 HydrophobicContact CE1-CD1 3.99Å; F183-L236 HydrophobicContact CE2-CB 3.91Å; F183-L236 HydrophobicContact CE2-CD1 3.64Å; F183-L236 HydrophobicContact CE2-CD2 3.91Å; F183-L236 HydrophobicContact CE2-CG 4.03Å; F183-L236 HydrophobicContact CG-CB 4.17Å; F183-L236 HydrophobicContact CG-CD1 4.29Å; F183-L236 HydrophobicContact CZ-CD1 3.65Å; Y232-L236 HydrophobicContact CE1-CD2 4.47Å; Y232-L236 WeakPolarHBondContact O-CB 3.47Å; Y232-L236 PolarHBondContact O-N 2.92Å; C233-L236 WeakPolarHBondContact O-CB 3.48Å; C233-L236 PolarHBondContact O-N 3.14Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.19Å; L236-L238 PolarHBondContact O-N 3.33Å; L236-L239 PolarHBondContact O-N 2.77Å; L236-S240 WeakPolarHBondContact O-CB 3.13Å; L236-S240 PolarHBondContact O-N 3.03Å; L236-S240 PolarHBondContact O-OG 3.14Å; L236-F258 HydrophobicContact CD2-CB 4.36Å; L236-F258 HydrophobicContact CD2-CD1 3.81Å; L236-F258 HydrophobicContact CD2-CG 4.41Å; L236-V260 HydrophobicContact CD2-CG2 3.72Å; L236-Y274 HydrophobicContact CD1-CD1 3.65Å; L236-Y274 HydrophobicContact CD1-CD2 4.46Å; L236-Y274 HydrophobicContact CD1-CE1 3.84Å; L236-Y274 HydrophobicContact CD1-CG 3.98Å; L236-Y274 HydrophobicContact CD2-CD1 4.27Å; L236-Y274 HydrophobicContact CD2-CD2 3.62Å; L236-Y274 HydrophobicContact CD2-CE2 4.03Å; L236-Y274 HydrophobicContact CD2-CG 3.74Å; L236-Y274 HydrophobicContact CG-CD1 4.16Å; L236-Y274 HydrophobicContact CG-CD2 4.1Å; L236-Y274 HydrophobicContact CG-CE1 4.18Å; L236-Y274 HydrophobicContact CG-CE2 4.08Å; L236-Y274 HydrophobicContact CG-CG 4.12Å; L236-F293 HydrophobicContact CD1-CZ 3.82Å
237	C	98.5	Very high	95	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-44.9	177.4	-79.2	0	0	0	0	112.7	C233 Q234 N235 S240 K241 K247 C250 V253 F258	C233-C237 PolarHBondContact O-N 3.33Å; C233-C237 PolarHBondContact O-SG 2.86Å; Q234-C237 WeakPolarHBondContact O-CB 3.47Å; Q234-C237 PolarHBondContact O-N 3.41Å; N235-C237 VanDerWaalsContact C-N 3.35Å; C237-S240 PolarHBondContact O-N 2.95Å; C237-K241 WeakPolarHBondContact O-CB 3.39Å; C237-K241 PolarHBondContact O-N 3.25Å; C237-K247 VanDerWaalsContact SG-CE 3.55Å; C237-K247 PolarHBondContact SG-NZ 3.49Å; C237-K247 VanDerWaalsContact SG-NZ 3.39Å; C237-C250 HydrophobicContact CB-CB 4.27Å; C237-C250 WeakPolarHBondContact CB-O 3.28Å; C237-V253 HydrophobicContact CB-CG1 4.48Å; C237-F258 VanDerWaalsContact SG-CE1 3.58Å
238	L	98.3	Very high	94.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-42.3	176.7	-71.8	169.6	0	0	0	112.2	S164 P165 Y166 Y185 Q234 N235 L236 C250 Y251	S164-L238 WeakPolarHBondContact CB-O 3.24Å; S164-L238 PolarHBondContact OG-O 3.14Å; P165-L238 HydrophobicContact CG-CD2 4.02Å; P165-L238 WeakPolarHBondContact O-CD2 3.34Å; Y166-L238 HydrophobicContact CD1-CB 4.11Å; Y166-L238 HydrophobicContact CD1-CD1 4.05Å; Y166-L238 HydrophobicContact CD1-CG 4.5Å; Y166-L238 HydrophobicContact CE1-CB 3.68Å; Y166-L238 HydrophobicContact CE1-CD1 4.26Å; Y166-L238 HydrophobicContact CE2-CB 4.36Å; Y166-L238 PolarHBondContact OH-O 2.77Å; Y185-L238 HydrophobicContact CE1-CD1 3.74Å; Q234-L238 HydrophobicContact CG-CD1 4.44Å; Q234-L238 WeakPolarHBondContact O-CG 3.41Å; Q234-L238 PolarHBondContact O-N 2.62Å; N235-L238 PolarHBondContact O-N 2.85Å; L236-L238 PolarHBondContact O-N 3.33Å; L238-C250 HydrophobicContact CD2-CB 4.1Å; L238-Y251 HydrophobicContact CD2-CE2 4.16Å
239	L	98.5	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-45.6	173.1	173	61.3	0	0	0	111.1	I151 F153 Y166 V178 F183 N235 L236 K241 V242 F243 F293	I151-L239 HydrophobicContact CD1-CD1 3.35Å; F153-L239 HydrophobicContact CD2-CD2 4.09Å; F153-L239 HydrophobicContact CE2-CD2 3.54Å; F153-L239 HydrophobicContact CZ-CD2 4.25Å; Y166-L239 VanDerWaalsContact OH-CA 3.31Å; Y166-L239 WeakPolarHBondContact OH-CA 3.48Å; Y166-L239 PolarHBondContact OH-N 3.49Å; V178-L239 HydrophobicContact CG1-CD1 4.19Å; V178-L239 HydrophobicContact CG1-CD2 4.04Å; V178-L239 HydrophobicContact CG2-CD1 4.48Å; F183-L239 HydrophobicContact CD1-CD2 3.54Å; F183-L239 HydrophobicContact CE1-CD2 4.06Å; F183-L239 HydrophobicContact CG-CD2 4.44Å; N235-L239 WeakPolarHBondContact O-CB 3.47Å; N235-L239 PolarHBondContact O-N 2.91Å; L236-L239 PolarHBondContact O-N 2.77Å; L239-K241 VanDerWaalsContact C-N 3.31Å; L239-K241 PolarHBondContact O-N 3.42Å; L239-V242 WeakPolarHBondContact O-CG2 3.43Å; L239-V242 PolarHBondContact O-N 2.8Å; L239-F243 HydrophobicContact CD1-CE2 4.11Å; L239-F293 HydrophobicContact CD2-CD1 4.27Å; L239-F293 HydrophobicContact CD2-CE1 3.55Å; L239-F293 HydrophobicContact CD2-CE2 4.32Å; L239-F293 HydrophobicContact CD2-CZ 3.58Å; L239-F293 HydrophobicContact CG-CD1 4.45Å; L239-F293 HydrophobicContact CG-CE1 3.75Å; L239-F293 HydrophobicContact CG-CZ 4.23Å
240	S	97.6	Very high	94.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.2	-34.9	-176	-53.6	0	0	0	0	112.6	L236 C237 V242 F243 L244 Y274	L236-S240 WeakPolarHBondContact O-CB 3.13Å; L236-S240 PolarHBondContact O-N 3.03Å; L236-S240 PolarHBondContact O-OG 3.14Å; C237-S240 PolarHBondContact O-N 2.95Å; S240-V242 PolarHBondContact O-N 3.31Å; S240-F243 CarbonylContact O-C 3.53Å; S240-F243 WeakPolarHBondContact O-CA 3.47Å; S240-F243 PolarHBondContact O-N 3.03Å; S240-L244 PolarHBondContact O-N 2.91Å; S240-Y274 WeakPolarHBondContact CB-OH 3.36Å; S240-Y274 WeakPolarHBondContact OG-CE1 3.39Å; S240-Y274 PolarHBondContact OG-OH 2.59Å
241	K	95.9	Very high	94	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.048	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-27.9	-179.9	179.2	64.3	-169.2	81.2	0	112.7	Y163 C237 L239 F243 L244 D245 K247	Y163-K241 VanDerWaalsContact O-CG 3.31Å; Y163-K241 WeakPolarHBondContact O-CG 3.23Å; Y163-K241 PolarHBondContact O-NZ 3.07Å; C237-K241 WeakPolarHBondContact O-CB 3.39Å; C237-K241 PolarHBondContact O-N 3.25Å; L239-K241 VanDerWaalsContact C-N 3.31Å; L239-K241 PolarHBondContact O-N 3.42Å; K241-F243 PolarHBondContact O-N 2.91Å; K241-F243 VanDerWaalsContact O-N 3.16Å; K241-L244 WeakPolarHBondContact CD-O 3.37Å; K241-L244 PolarHBondContact NZ-O 3.26Å; K241-L244 PolarHBondContact O-N 3.3Å; K241-D245 WeakPolarHBondContact CE-O 3.45Å; K241-D245 PolarHBondContact NZ-O 2.97Å; K241-K247 HydrophobicContact CB-CD 4.4Å; K241-K247 HydrophobicContact CD-CB 3.71Å; K241-K247 HydrophobicContact CD-CG 4.23Å; K241-K247 WeakPolarHBondContact CD-O 3.27Å; K241-K247 WeakPolarHBondContact CE-O 3.46Å
242	V	96.2	Very high	93.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.8	174.5	-55.4	0	0	0	0	113.5	T160 W161 Y162 Y166 L239 S240	T160-V242 HydrophobicContact CG2-CB 3.89Å; T160-V242 HydrophobicContact CG2-CG1 4.17Å; T160-V242 HydrophobicContact CG2-CG2 4.03Å; W161-V242 WeakPolarHBondContact CA-O 3.23Å; W161-V242 WeakPolarHBondContact CB-O 3.1Å; W161-V242 PolarHBondContact N-O 2.88Å; Y162-V242 PolarHBondContact N-O 3.42Å; Y166-V242 HydrophobicContact CE2-CG1 4.07Å; L239-V242 WeakPolarHBondContact O-CG2 3.43Å; L239-V242 PolarHBondContact O-N 2.8Å; S240-V242 PolarHBondContact O-N 3.31Å
243	F	95.8	Very high	93.8	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.044	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-4.2	178.5	-54.5	-61.7	0	0	0	113.2	I151 I158 W161 L239 S240 K241 T291 F293 P294	I151-F243 HydrophobicContact CD1-CE2 4.08Å; I151-F243 HydrophobicContact CD1-CZ 3.85Å; I158-F243 HydrophobicContact CG2-CE1 3.83Å; I158-F243 HydrophobicContact CG2-CZ 3.79Å; W161-F243 HydrophobicContact CD2-CD1 4.02Å; W161-F243 HydrophobicContact CE3-CB 4.17Å; W161-F243 HydrophobicContact CE3-CD1 4.27Å; W161-F243 HydrophobicContact CG-CD1 4.25Å; W161-F243 HydrophobicContact CZ3-CB 4.48Å; L239-F243 HydrophobicContact CD1-CE2 4.11Å; S240-F243 CarbonylContact O-C 3.53Å; S240-F243 WeakPolarHBondContact O-CA 3.47Å; S240-F243 PolarHBondContact O-N 3.03Å; K241-F243 PolarHBondContact O-N 2.91Å; K241-F243 VanDerWaalsContact O-N 3.16Å; F243-T291 HydrophobicContact CB-CG2 4.24Å; F243-T291 HydrophobicContact CD2-CG2 4.49Å; F243-F293 HydrophobicContact CD2-CD1 4.26Å; F243-F293 HydrophobicContact CE2-CD1 4.19Å; F243-P294 HydrophobicContact CD1-CG 4.03Å; F243-P294 HydrophobicContact CE1-CG 3.66Å; F243-P294 HydrophobicContact CZ-CG 3.97Å
244	L	92.5	Very high	93.7	Very high	29 Å²	29	30 Å²	30	15%	0.152	15%	0.153	C	C	.	.			trans	-121.7	120.8	178.9	-66.9	179.1	0	0	0	110.4	S240 K241 K247 C289 T291	S240-L244 PolarHBondContact O-N 2.91Å; K241-L244 WeakPolarHBondContact CD-O 3.37Å; K241-L244 PolarHBondContact NZ-O 3.26Å; K241-L244 PolarHBondContact O-N 3.3Å; L244-K247 HydrophobicContact CB-CB 3.86Å; L244-K247 HydrophobicContact CD1-CB 4.24Å; L244-K247 HydrophobicContact CD1-CD 3.99Å; L244-C289 HydrophobicContact CD1-CB 4.1Å; L244-T291 VanDerWaalsContact CD1-OG1 3.27Å; L244-T291 WeakPolarHBondContact CD1-OG1 3.35Å; L244-T291 WeakPolarHBondContact CG-OG1 3.08Å
245	D	86.4	Confident	93.4	Very high	30 Å²	30	30.7 Å²	30.7	16%	0.16	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-61	-179.2	-155.2	-7.7	0	0	0	111.1	Y162 K241 K247	Y162-D245 HydrophobicContact CD1-CB 4.04Å; Y162-D245 HydrophobicContact CD2-CB 4.32Å; Y162-D245 HydrophobicContact CE1-CB 3.6Å; Y162-D245 WeakPolarHBondContact CE1-OD2 3.43Å; Y162-D245 HydrophobicContact CE2-CB 3.92Å; Y162-D245 HydrophobicContact CG-CB 4.35Å; K241-D245 WeakPolarHBondContact CE-O 3.45Å; K241-D245 PolarHBondContact NZ-O 2.97Å; D245-K247 PolarHBondContact O-N 3.37Å; D245-K247 VanDerWaalsContact O-N 3.11Å
246	H	84.9	Confident	93.3	Very high	78 Å²	78	31.5 Å²	31.5	36%	0.361	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	23	-173.4	-53.3	-65.3	0	0	0	114.5	R139 T248	R139-H246 PolarHBondContact NH2-ND1 2.68Å; H246-T248 PolarHBondContact O-N 3.43Å
247	K	88.6	Confident	93.2	Very high	18 Å²	18	31.6 Å²	31.6	8%	0.078	16%	0.162	C	C	.	.			trans	-81.6	111.1	172.1	177.9	169.5	-178.1	57	0	109.4	C237 K241 L244 D245 V249	C237-K247 VanDerWaalsContact SG-CE 3.55Å; C237-K247 PolarHBondContact SG-NZ 3.49Å; C237-K247 VanDerWaalsContact SG-NZ 3.39Å; K241-K247 HydrophobicContact CB-CD 4.4Å; K241-K247 HydrophobicContact CD-CB 3.71Å; K241-K247 HydrophobicContact CD-CG 4.23Å; K241-K247 WeakPolarHBondContact CD-O 3.27Å; K241-K247 WeakPolarHBondContact CE-O 3.46Å; L244-K247 HydrophobicContact CB-CB 3.86Å; L244-K247 HydrophobicContact CD1-CB 4.24Å; L244-K247 HydrophobicContact CD1-CD 3.99Å; D245-K247 PolarHBondContact O-N 3.37Å; D245-K247 VanDerWaalsContact O-N 3.11Å; K247-V249 VanDerWaalsContact CE-O 3.23Å; K247-V249 WeakPolarHBondContact CE-O 3.46Å; K247-V249 PolarHBondContact NZ-O 3.14Å
248	T	81.7	Confident	93.1	Very high	104 Å²	104	31.6 Å²	31.6	64%	0.638	16%	0.162	S	C	*	.			trans	-91.8	-36	-176.4	52.4	0	0	0	0	112.4	H246	H246-T248 PolarHBondContact O-N 3.43Å
249	V	86.7	Confident	93.2	Very high	47 Å²	47	31.6 Å²	31.6	29%	0.285	16%	0.162	S	C	.	.			trans	-99.5	116.9	-174.9	-174.2	0	0	0	0	111.5	K247 D252 F256	K247-V249 VanDerWaalsContact CE-O 3.23Å; K247-V249 WeakPolarHBondContact CE-O 3.46Å; K247-V249 PolarHBondContact NZ-O 3.14Å; V249-D252 HydrophobicContact CG1-CB 3.74Å; V249-D252 WeakPolarHBondContact CG1-O 3.06Å; V249-F256 HydrophobicContact CG1-CE2 4.46Å
250	C	91.7	Very high	93.2	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.041	16%	0.162	C	C	.	.	S	Bend	trans	-118.3	-27.9	174.2	-63.9	0	0	0	0	114.9	P165 C237 L238	P165-C250 HydrophobicContact CG-CB 4.15Å; C237-C250 HydrophobicContact CB-CB 4.27Å; C237-C250 WeakPolarHBondContact CB-O 3.28Å; L238-C250 HydrophobicContact CD2-CB 4.1Å
251	Y	94.3	Very high	93.2	Very high	95 Å²	95	31.6 Å²	31.6	37%	0.373	16%	0.162	S	C	.	.	S	Bend	trans	-106.7	-32.4	-173.5	-71.3	-90.5	0	0	0	112.9	P165 P167 Q234 L238 V253	P165-Y251 HydrophobicContact CB-CE2 4.3Å; P165-Y251 HydrophobicContact CG-CE2 4.05Å; P165-Y251 PolarHBondContact O-OH 3.32Å; P167-Y251 WeakPolarHBondContact CD-OH 3.48Å; Q234-Y251 HydrophobicContact CG-CD1 4.17Å; L238-Y251 HydrophobicContact CD2-CE2 4.16Å; Y251-V253 VanDerWaalsContact C-N 3.31Å; Y251-V253 PolarHBondContact O-N 2.89Å
252	D	94.2	Very high	93.3	Very high	94 Å²	94	31 Å²	31	50%	0.503	16%	0.16	S	C	.	.			trans	-84.9	73.8	176.3	-174.1	21.7	0	0	0	110.7	V249 P255	V249-D252 HydrophobicContact CG1-CB 3.74Å; V249-D252 WeakPolarHBondContact CG1-O 3.06Å; D252-P255 WeakPolarHBondContact OD1-CD 3.47Å
253	V	95.7	Very high	93.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.163	C	C	.	.			trans	-91.7	-12.3	-176.4	-60.7	0	0	0	0	113.5	W230 C233 Q234 C237 Y251 P255 F256 F258	W230-V253 HydrophobicContact CG-CG2 4.28Å; C233-V253 HydrophobicContact CB-CB 3.98Å; C233-V253 HydrophobicContact CB-CG1 4.31Å; C233-V253 HydrophobicContact CB-CG2 3.91Å; Q234-V253 HydrophobicContact CB-CG1 4.4Å; C237-V253 HydrophobicContact CB-CG1 4.48Å; Y251-V253 VanDerWaalsContact C-N 3.31Å; Y251-V253 PolarHBondContact O-N 2.89Å; V253-P255 VanDerWaalsContact C-N 3.31Å; V253-F256 PolarHBondContact O-N 2.78Å; V253-F256 VanDerWaalsContact O-N 3.09Å; V253-F258 HydrophobicContact CB-CE2 4.06Å; V253-F258 HydrophobicContact CB-CZ 4.06Å; V253-F258 HydrophobicContact CG1-CZ 4.1Å
254	E	94.8	Very high	93.4	Very high	71 Å²	71	34 Å²	34	33%	0.332	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.2	-179.1	-68	-179.3	-175.1	0	0	113.7	G221 N223 F256 K279	G221-E254 WeakPolarHBondContact O-CA 3.49Å; N223-E254 HydrophobicContact CB-CG 4.17Å; N223-E254 WeakPolarHBondContact CB-OE1 3.46Å; E254-F256 PolarHBondContact O-N 3.27Å; E254-F256 VanDerWaalsContact O-N 3.14Å; E254-K279 WeakPolarHBondContact O-CD 3.46Å; E254-K279 WeakPolarHBondContact O-CE 3.49Å; E254-K279 PolarHBondContact O-NZ 3.37Å
255	P	93	Very high	93.4	Very high	35 Å²	35	36.3 Å²	36.3	23%	0.227	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-5.5	179.3	-21.6	34.9	0	0	0	115.2	D252 V253 K279 W280	D252-P255 WeakPolarHBondContact OD1-CD 3.47Å; V253-P255 VanDerWaalsContact C-N 3.31Å; P255-K279 WeakPolarHBondContact O-CB 3.48Å; P255-K279 WeakPolarHBondContact O-CG 3.4Å; P255-K279 PolarHBondContact O-N 3.11Å; P255-W280 HydrophobicContact CB-CZ3 4.23Å
256	F	95.1	Very high	93.4	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.127	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	-167.1	-59.9	-90.2	0	0	0	113.6	G221 V249 V253 E254 F258 K277 E278	G221-F256 PolarHBondContact N-O 3.14Å; G221-F256 VanDerWaalsContact N-O 3.13Å; V249-F256 HydrophobicContact CG1-CE2 4.46Å; V253-F256 PolarHBondContact O-N 2.78Å; V253-F256 VanDerWaalsContact O-N 3.09Å; E254-F256 PolarHBondContact O-N 3.27Å; E254-F256 VanDerWaalsContact O-N 3.14Å; F256-F258 HydrophobicContact CB-CD2 4.23Å; F256-F258 HydrophobicContact CB-CE2 3.56Å; F256-F258 HydrophobicContact CB-CZ 3.89Å; F256-K277 CarbonylContact C-O 3.6Å; F256-K277 WeakPolarHBondContact CA-O 3.4Å; F256-E278 HydrophobicContact CD1-CG 3.82Å; F256-E278 HydrophobicContact CE1-CG 3.35Å; F256-E278 HydrophobicContact CZ-CG 4.07Å
257	L	96.3	Very high	93.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.7	158.2	-63.6	176.2	0	0	0	108.6	D220 Y259 S276 K277 K279	D220-L257 HydrophobicContact CB-CD2 3.86Å; L257-Y259 HydrophobicContact CB-CE2 3.9Å; L257-S276 CarbonylContact O-C 3.6Å; L257-S276 VanDerWaalsContact O-CA 3.3Å; L257-S276 WeakPolarHBondContact O-CA 3.08Å; L257-K277 PolarHBondContact N-O 2.78Å; L257-K277 PolarHBondContact O-N 3.36Å; L257-K279 HydrophobicContact CD2-CG 4.33Å; L257-K279 HydrophobicContact CG-CG 3.97Å
258	F	98.1	Very high	93.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.1	179.5	-65.6	-100.5	0	0	0	109.9	E218 V219 C233 L236 C237 V253 F256 V260 Y274	E218-F258 CarbonylContact C-O 3.41Å; E218-F258 WeakPolarHBondContact CA-O 3.48Å; V219-F258 HydrophobicContact CB-CB 4.41Å; V219-F258 PolarHBondContact N-O 3.11Å; V219-F258 PolarHBondContact O-N 3.5Å; C233-F258 HydrophobicContact CB-CD2 3.8Å; C233-F258 HydrophobicContact CB-CE2 3.59Å; C233-F258 HydrophobicContact CB-CG 4.39Å; C233-F258 HydrophobicContact CB-CZ 4.03Å; C233-F258 WeakPolarHBondContact SG-CD2 3.39Å; L236-F258 HydrophobicContact CD2-CB 4.36Å; L236-F258 HydrophobicContact CD2-CD1 3.81Å; L236-F258 HydrophobicContact CD2-CG 4.41Å; C237-F258 VanDerWaalsContact SG-CE1 3.58Å; V253-F258 HydrophobicContact CB-CE2 4.06Å; V253-F258 HydrophobicContact CB-CZ 4.06Å; V253-F258 HydrophobicContact CG1-CZ 4.1Å; F256-F258 HydrophobicContact CB-CD2 4.23Å; F256-F258 HydrophobicContact CB-CE2 3.56Å; F256-F258 HydrophobicContact CB-CZ 3.89Å; F258-V260 HydrophobicContact CB-CG2 4.49Å; F258-Y274 AromaticContact CD1-CD2 3.84Å; F258-Y274 HydrophobicContact CD1-CD2 3.84Å; F258-Y274 AromaticContact CD1-CE2 3.7Å; F258-Y274 HydrophobicContact CD1-CE2 3.7Å; F258-Y274 HydrophobicContact CE1-CE2 4.01Å
259	Y	98.6	Very high	94	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	99.3	178.6	-64.1	-91.3	0	0	0	108.7	L208 I216 I217 E218 L257 Y274 F275 K277 F308 I312	L208-Y259 HydrophobicContact CD1-CD1 4.15Å; L208-Y259 HydrophobicContact CD1-CE1 3.74Å; I216-Y259 HydrophobicContact CG2-CD1 4.38Å; I217-Y259 CarbonylContact O-C 3.48Å; I217-Y259 VanDerWaalsContact O-CA 3.31Å; I217-Y259 WeakPolarHBondContact O-CA 3.32Å; E218-Y259 HydrophobicContact CB-CD1 4.3Å; E218-Y259 HydrophobicContact CB-CE1 4.14Å; E218-Y259 HydrophobicContact CG-CE1 4.11Å; E218-Y259 PolarHBondContact OE2-OH 3.43Å; L257-Y259 HydrophobicContact CB-CE2 3.9Å; Y259-Y274 CarbonylContact O-C 3.47Å; Y259-Y274 WeakPolarHBondContact O-CA 3.38Å; Y259-Y274 VanDerWaalsContact O-CB 3.3Å; Y259-Y274 WeakPolarHBondContact O-CB 3.2Å; Y259-F275 VanDerWaalsContact CB-CE1 3.43Å; Y259-F275 HydrophobicContact CD1-CZ 4.22Å; Y259-F275 HydrophobicContact CD2-CD2 4.01Å; Y259-F275 HydrophobicContact CD2-CE1 4.21Å; Y259-F275 AromaticContact CD2-CE2 3.31Å; Y259-F275 HydrophobicContact CD2-CE2 3.31Å; Y259-F275 AromaticContact CD2-CZ 3.42Å; Y259-F275 HydrophobicContact CD2-CZ 3.42Å; Y259-F275 VanDerWaalsContact CD2-CZ 3.42Å; Y259-F275 AromaticContact CE2-CE2 3.92Å; Y259-F275 HydrophobicContact CE2-CE2 3.92Å; Y259-F275 HydrophobicContact CE2-CZ 4.16Å; Y259-F275 AromaticContact CG-CE1 3.91Å; Y259-F275 HydrophobicContact CG-CE1 3.91Å; Y259-F275 AromaticContact CG-CE2 3.87Å; Y259-F275 HydrophobicContact CG-CE2 3.87Å; Y259-F275 AromaticContact CG-CZ 3.45Å; Y259-F275 HydrophobicContact CG-CZ 3.45Å; Y259-F275 VanDerWaalsContact CG-CZ 3.45Å; Y259-F275 PolarHBondContact N-O 2.63Å; Y259-F275 PolarHBondContact O-N 3.3Å; Y259-K277 HydrophobicContact CE2-CB 3.97Å; Y259-K277 HydrophobicContact CE2-CD 4.36Å; Y259-F308 HydrophobicContact CD1-CD1 4.39Å; Y259-F308 AromaticContact CD1-CE1 3.83Å; Y259-F308 HydrophobicContact CD1-CE1 3.83Å; Y259-F308 HydrophobicContact CE1-CE1 4.26Å; Y259-I312 HydrophobicContact CD1-CD1 3.98Å; Y259-I312 HydrophobicContact CD2-CD1 4.41Å; Y259-I312 HydrophobicContact CE1-CD1 3.48Å; Y259-I312 VanDerWaalsContact CE1-CD1 3.48Å; Y259-I312 HydrophobicContact CE2-CD1 4Å; Y259-I312 HydrophobicContact CG-CD1 4.39Å; Y259-I312 VanDerWaalsContact CZ-CD1 3.49Å
260	V	98.8	Very high	94.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.4	-172.4	-171.8	0	0	0	0	109.9	F183 I216 I217 Y232 L236 F258 Y262 A271	F183-V260 HydrophobicContact CE2-CG1 4.26Å; F183-V260 HydrophobicContact CZ-CG1 3.87Å; I216-V260 WeakPolarHBondContact CA-O 3.35Å; I217-V260 HydrophobicContact CG1-CB 3.94Å; I217-V260 PolarHBondContact N-O 2.96Å; I217-V260 PolarHBondContact O-N 3.26Å; Y232-V260 HydrophobicContact CE1-CG2 4.04Å; L236-V260 HydrophobicContact CD2-CG2 3.72Å; F258-V260 HydrophobicContact CB-CG2 4.49Å; V260-Y262 HydrophobicContact CB-CD2 4.4Å; V260-Y262 HydrophobicContact CB-CE2 3.91Å; V260-Y262 HydrophobicContact CG1-CD2 3.97Å; V260-Y262 HydrophobicContact CG1-CE2 3.47Å; V260-Y262 VanDerWaalsContact CG1-CE2 3.47Å; V260-A271 HydrophobicContact CG1-CB 4.23Å
261	L	98.8	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125	173.3	175.6	69.2	0	0	0	109.8	L214 S215 I216 A272 G273 Y301 F304 L305	L214-L261 HydrophobicContact CB-CD1 4.11Å; L214-L261 HydrophobicContact CD2-CD1 4.31Å; S215-L261 WeakPolarHBondContact O-CA 3.44Å; I216-L261 HydrophobicContact CD1-CD1 4.4Å; I216-L261 HydrophobicContact CG1-CB 4.34Å; I216-L261 HydrophobicContact CG1-CD1 3.81Å; L261-A272 HydrophobicContact CD2-CB 4.39Å; L261-A272 HydrophobicContact CG-CB 4.36Å; L261-A272 PolarHBondContact O-N 3.23Å; L261-G273 PolarHBondContact N-O 3.12Å; L261-G273 PolarHBondContact O-N 3.29Å; L261-Y301 HydrophobicContact CD2-CD1 3.89Å; L261-Y301 HydrophobicContact CD2-CD2 4.05Å; L261-Y301 HydrophobicContact CD2-CG 3.6Å; L261-F304 HydrophobicContact CD1-CD1 4.22Å; L261-F304 HydrophobicContact CD1-CE1 4.17Å; L261-F304 HydrophobicContact CD2-CD1 4.49Å; L261-L305 HydrophobicContact CB-CD2 3.74Å; L261-L305 HydrophobicContact CB-CG 4.48Å; L261-L305 HydrophobicContact CD2-CD2 4.36Å; L261-L305 HydrophobicContact CD2-CG 4.35Å
262	Y	98.2	Very high	95	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.8	171.9	-75.3	-93.2	0	0	0	110.5	I181 L214 S215 I217 Y232 V260 R269 H270 A271	I181-Y262 PolarHBondContact O-OH 2.7Å; L214-Y262 WeakPolarHBondContact CA-O 3.2Å; S215-Y262 PolarHBondContact N-O 2.96Å; S215-Y262 PolarHBondContact O-N 3.18Å; I217-Y262 HydrophobicContact CD1-CD2 4.44Å; I217-Y262 HydrophobicContact CD1-CE2 3.59Å; I217-Y262 HydrophobicContact CG1-CD2 4.3Å; I217-Y262 HydrophobicContact CG1-CE2 3.83Å; Y232-Y262 PolarHBondContact OH-OH 3.23Å; V260-Y262 HydrophobicContact CB-CD2 4.4Å; V260-Y262 HydrophobicContact CB-CE2 3.91Å; V260-Y262 HydrophobicContact CG1-CD2 3.97Å; V260-Y262 HydrophobicContact CG1-CE2 3.47Å; V260-Y262 VanDerWaalsContact CG1-CE2 3.47Å; Y262-R269 HydrophobicContact CD1-CB 3.71Å; Y262-R269 HydrophobicContact CD1-CG 3.62Å; Y262-R269 HydrophobicContact CE1-CG 3.93Å; Y262-R269 HydrophobicContact CG-CB 4.19Å; Y262-R269 HydrophobicContact CG-CG 4.31Å; Y262-H270 WeakPolarHBondContact CA-O 3.32Å; Y262-H270 VanDerWaalsContact CD1-C 3.46Å; Y262-A271 HydrophobicContact CD1-CB 4.14Å; Y262-A271 HydrophobicContact CE1-CB 3.78Å
263	E	97.8	Very high	95.2	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.2	162.6	177.3	166.6	58.8	0	0	109.4	N213 L214 H270 A272 Y296 K299 Y301	N213-E263 PolarHBondContact ND2-OE2 2.92Å; N213-E263 CarbonylContact O-C 3.52Å; N213-E263 WeakPolarHBondContact O-CA 3.38Å; L214-E263 HydrophobicContact CD2-CB 4.23Å; E263-H270 PolarHBondContact N-O 3.09Å; E263-H270 PolarHBondContact O-N 2.83Å; E263-A272 HydrophobicContact CB-CB 4.46Å; E263-Y296 HydrophobicContact CB-CE1 4.26Å; E263-Y296 WeakPolarHBondContact OE1-CE1 3.46Å; E263-K299 IonicContact OE1-NZ 2.68Å; E263-K299 PolarHBondContact OE1-NZ 3.4Å; E263-K299 IonicContact OE2-NZ 2.79Å; E263-K299 PolarHBondContact OE2-NZ 3.32Å; E263-Y301 PolarHBondContact OE2-OH 2.82Å
264	W	95.9	Very high	95.3	Very high	56 Å²	56	35.2 Å²	35.2	21%	0.212	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.1	-179.6	-69.5	77.9	0	0	0	111.6	N213 S215 N267 E268 R269	N213-W264 PolarHBondContact O-N 3.28Å; S215-W264 PolarHBondContact OG-NE1 3.27Å; W264-N267 WeakPolarHBondContact CZ3-O 2.89Å; W264-E268 CarbonylContact C-O 3.55Å; W264-E268 WeakPolarHBondContact CA-O 3.49Å; W264-R269 HydrophobicContact CD2-CB 3.74Å; W264-R269 HydrophobicContact CE3-CB 3.99Å; W264-R269 HydrophobicContact CG-CB 4.33Å; W264-R269 HydrophobicContact CH2-CB 4.02Å; W264-R269 HydrophobicContact CH2-CG 4.33Å; W264-R269 HydrophobicContact CZ2-CB 3.75Å; W264-R269 HydrophobicContact CZ2-CG 4.24Å; W264-R269 HydrophobicContact CZ3-CB 4.13Å
265	N	91.4	Very high	95.5	Very high	77 Å²	77	31.8 Å²	31.8	41%	0.412	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.9	171.7	-62.8	-28.1	0	0	0	108.1	N267 E268	N265-N267 VanDerWaalsContact C-N 3.27Å; N265-N267 PolarHBondContact O-N 3.18Å; N265-N267 VanDerWaalsContact O-N 3.15Å; N265-E268 PolarHBondContact N-O 3.27Å; N265-E268 WeakPolarHBondContact O-CA 3.35Å; N265-E268 WeakPolarHBondContact O-CB 3.49Å; N265-E268 PolarHBondContact O-N 2.78Å; N265-E268 VanDerWaalsContact O-O 3.13Å
266	D	87	Confident	95.7	Very high	161 Å²	161	30.2 Å²	30.2	86%	0.861	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	42.5	175.7	-56.4	-36.1	0	0	0	114.8	E268	D266-E268 PolarHBondContact O-N 2.7Å; D266-E268 VanDerWaalsContact O-N 3.16Å
267	N	84.6	Confident	95.6	Very high	155 Å²	155	29.3 Å²	29.3	83%	0.829	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	7.2	-174.3	-59.2	-37.7	0	0	0	115.7	W264 N265	W264-N267 WeakPolarHBondContact CZ3-O 2.89Å; N265-N267 VanDerWaalsContact C-N 3.27Å; N265-N267 PolarHBondContact O-N 3.18Å; N265-N267 VanDerWaalsContact O-N 3.15Å
268	E	89.7	Confident	95.4	Very high	72 Å²	72	31.1 Å²	31.1	34%	0.336	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	147.2	168	-61.9	-162.3	158.1	0	0	110.8	R196 H200 W264 N265 D266 H270	R196-E268 IonicContact NH1-OE2 3.87Å; H200-E268 IonicContact CE1-OE1 2.69Å; W264-E268 CarbonylContact C-O 3.55Å; W264-E268 WeakPolarHBondContact CA-O 3.49Å; N265-E268 PolarHBondContact N-O 3.27Å; N265-E268 WeakPolarHBondContact O-CA 3.35Å; N265-E268 WeakPolarHBondContact O-CB 3.49Å; N265-E268 PolarHBondContact O-N 2.78Å; N265-E268 VanDerWaalsContact O-O 3.13Å; D266-E268 PolarHBondContact O-N 2.7Å; D266-E268 VanDerWaalsContact O-N 3.16Å; E268-H270 IonicContact OE2-CE1 3.19Å; E268-H270 IonicContact OE2-NE2 2.6Å
269	R	93.3	Very high	95.1	Very high	39 Å²	39	31.2 Å²	31.2	15%	0.147	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.1	175.6	69.5	177.2	176.9	177.9	-3.9	110.6	I181 Y262 W264	I181-R269 HydrophobicContact CG2-CG 4.37Å; Y262-R269 HydrophobicContact CD1-CB 3.71Å; Y262-R269 HydrophobicContact CD1-CG 3.62Å; Y262-R269 HydrophobicContact CE1-CG 3.93Å; Y262-R269 HydrophobicContact CG-CB 4.19Å; Y262-R269 HydrophobicContact CG-CG 4.31Å; W264-R269 HydrophobicContact CD2-CB 3.74Å; W264-R269 HydrophobicContact CE3-CB 3.99Å; W264-R269 HydrophobicContact CG-CB 4.33Å; W264-R269 HydrophobicContact CH2-CB 4.02Å; W264-R269 HydrophobicContact CH2-CG 4.33Å; W264-R269 HydrophobicContact CZ2-CB 3.75Å; W264-R269 HydrophobicContact CZ2-CG 4.24Å; W264-R269 HydrophobicContact CZ3-CB 4.13Å
270	H	96.4	Very high	94.5	Very high	23 Å²	23	37.7 Å²	37.7	11%	0.106	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125	178.3	-51.3	-85.3	0	0	0	109.6	D180 Y262 E263 E268 A272 Y296	D180-H270 IonicContact OD2-CE1 3.83Å; D180-H270 IonicContact OD2-CG 3.56Å; D180-H270 IonicContact OD2-ND1 2.75Å; D180-H270 PolarHBondContact OD2-ND1 3.2Å; Y262-H270 WeakPolarHBondContact CA-O 3.32Å; Y262-H270 VanDerWaalsContact CD1-C 3.46Å; E263-H270 PolarHBondContact N-O 3.09Å; E263-H270 PolarHBondContact O-N 2.83Å; E268-H270 IonicContact OE2-CE1 3.19Å; E268-H270 IonicContact OE2-NE2 2.6Å; H270-A272 PolarHBondContact O-N 3.1Å; H270-A272 VanDerWaalsContact O-N 3.14Å; H270-Y296 WeakPolarHBondContact CB-OH 3.44Å
271	A	98	Very high	93.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	117.4	-179.5	0	0	0	0	0	109.4	F153 D180 F183 V260 Y262 F293	F153-A271 WeakPolarHBondContact CE1-O 3.41Å; F153-A271 HydrophobicContact CZ-CB 4.33Å; F153-A271 WeakPolarHBondContact CZ-O 3.11Å; D180-A271 VanDerWaalsContact O-CB 3.24Å; D180-A271 WeakPolarHBondContact O-CB 3.11Å; D180-A271 PolarHBondContact O-N 3.27Å; F183-A271 HydrophobicContact CE1-CB 3.4Å; F183-A271 HydrophobicContact CZ-CB 3.41Å; F183-A271 VanDerWaalsContact CZ-CB 3.41Å; V260-A271 HydrophobicContact CG1-CB 4.23Å; Y262-A271 HydrophobicContact CD1-CB 4.14Å; Y262-A271 HydrophobicContact CE1-CB 3.78Å; A271-F293 HydrophobicContact CB-CE2 4.16Å; A271-F293 WeakPolarHBondContact O-CD2 3.22Å
272	A	98.5	Very high	92.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-28.1	-178.1	0	0	0	0	0	112.1	L261 E263 H270 F293 Y296 Y301	L261-A272 HydrophobicContact CD2-CB 4.39Å; L261-A272 HydrophobicContact CG-CB 4.36Å; L261-A272 PolarHBondContact O-N 3.23Å; E263-A272 HydrophobicContact CB-CB 4.46Å; H270-A272 PolarHBondContact O-N 3.1Å; H270-A272 VanDerWaalsContact O-N 3.14Å; A272-F293 PolarHBondContact O-N 3.31Å; A272-Y296 HydrophobicContact CB-CD1 3.67Å; A272-Y296 HydrophobicContact CB-CD2 4.17Å; A272-Y296 HydrophobicContact CB-CE1 4.23Å; A272-Y296 HydrophobicContact CB-CG 3.63Å; A272-Y301 HydrophobicContact CB-CD2 3.77Å; A272-Y301 HydrophobicContact CB-CE2 3.74Å
273	G	98.7	Very high	91.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-177.4	179.1	0	0	0	0	0	111.5	L261 T291	L261-G273 PolarHBondContact N-O 3.12Å; L261-G273 PolarHBondContact O-N 3.29Å; G273-T291 CarbonylContact C-O 3.55Å; G273-T291 WeakPolarHBondContact CA-O 3.36Å
274	Y	98.7	Very high	90.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	169.1	176.6	81.3	-65.8	0	0	0	111	L236 S240 F258 Y259 I290 T291	L236-Y274 HydrophobicContact CD1-CD1 3.65Å; L236-Y274 HydrophobicContact CD1-CD2 4.46Å; L236-Y274 HydrophobicContact CD1-CE1 3.84Å; L236-Y274 HydrophobicContact CD1-CG 3.98Å; L236-Y274 HydrophobicContact CD2-CD1 4.27Å; L236-Y274 HydrophobicContact CD2-CD2 3.62Å; L236-Y274 HydrophobicContact CD2-CE2 4.03Å; L236-Y274 HydrophobicContact CD2-CG 3.74Å; L236-Y274 HydrophobicContact CG-CD1 4.16Å; L236-Y274 HydrophobicContact CG-CD2 4.1Å; L236-Y274 HydrophobicContact CG-CE1 4.18Å; L236-Y274 HydrophobicContact CG-CE2 4.08Å; L236-Y274 HydrophobicContact CG-CG 4.12Å; S240-Y274 WeakPolarHBondContact CB-OH 3.36Å; S240-Y274 WeakPolarHBondContact OG-CE1 3.39Å; S240-Y274 PolarHBondContact OG-OH 2.59Å; F258-Y274 AromaticContact CD1-CD2 3.84Å; F258-Y274 HydrophobicContact CD1-CD2 3.84Å; F258-Y274 AromaticContact CD1-CE2 3.7Å; F258-Y274 HydrophobicContact CD1-CE2 3.7Å; F258-Y274 HydrophobicContact CE1-CE2 4.01Å; Y259-Y274 CarbonylContact O-C 3.47Å; Y259-Y274 WeakPolarHBondContact O-CA 3.38Å; Y259-Y274 VanDerWaalsContact O-CB 3.3Å; Y259-Y274 WeakPolarHBondContact O-CB 3.2Å; Y274-I290 WeakPolarHBondContact O-CA 3.5Å; Y274-T291 PolarHBondContact N-O 3.47Å; Y274-T291 PolarHBondContact O-N 3.16Å
275	F	98.3	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	162.1	153	72.5	-88.1	0	0	0	111.7	Y259 K277 L287 C289 I290 L305 F308 I312	Y259-F275 VanDerWaalsContact CB-CE1 3.43Å; Y259-F275 HydrophobicContact CD1-CZ 4.22Å; Y259-F275 HydrophobicContact CD2-CD2 4.01Å; Y259-F275 HydrophobicContact CD2-CE1 4.21Å; Y259-F275 AromaticContact CD2-CE2 3.31Å; Y259-F275 HydrophobicContact CD2-CE2 3.31Å; Y259-F275 AromaticContact CD2-CZ 3.42Å; Y259-F275 HydrophobicContact CD2-CZ 3.42Å; Y259-F275 VanDerWaalsContact CD2-CZ 3.42Å; Y259-F275 AromaticContact CE2-CE2 3.92Å; Y259-F275 HydrophobicContact CE2-CE2 3.92Å; Y259-F275 HydrophobicContact CE2-CZ 4.16Å; Y259-F275 AromaticContact CG-CE1 3.91Å; Y259-F275 HydrophobicContact CG-CE1 3.91Å; Y259-F275 AromaticContact CG-CE2 3.87Å; Y259-F275 HydrophobicContact CG-CE2 3.87Å; Y259-F275 AromaticContact CG-CZ 3.45Å; Y259-F275 HydrophobicContact CG-CZ 3.45Å; Y259-F275 VanDerWaalsContact CG-CZ 3.45Å; Y259-F275 PolarHBondContact N-O 2.63Å; Y259-F275 PolarHBondContact O-N 3.3Å; F275-K277 HydrophobicContact CE2-CB 4.4Å; F275-L287 HydrophobicContact CB-CD1 3.45Å; F275-L287 VanDerWaalsContact CB-CD1 3.45Å; F275-L287 HydrophobicContact CB-CD2 4.49Å; F275-L287 HydrophobicContact CB-CG 3.77Å; F275-L287 HydrophobicContact CD1-CD1 4.23Å; F275-L287 HydrophobicContact CD2-CB 4.41Å; F275-L287 HydrophobicContact CD2-CD1 3.81Å; F275-L287 HydrophobicContact CD2-CG 3.92Å; F275-L287 HydrophobicContact CG-CD1 3.57Å; F275-L287 HydrophobicContact CG-CG 4.06Å; F275-C289 CarbonylContact C-O 3.47Å; F275-C289 WeakPolarHBondContact CA-O 3.39Å; F275-C289 WeakPolarHBondContact CB-O 3.37Å; F275-I290 HydrophobicContact CB-CB 4.09Å; F275-I290 HydrophobicContact CB-CG1 4.29Å; F275-L305 HydrophobicContact CD1-CB 4.14Å; F275-L305 HydrophobicContact CD1-CD2 4.04Å; F275-L305 HydrophobicContact CE1-CD2 4.45Å; F275-F308 HydrophobicContact CE1-CB 4.39Å; F275-F308 HydrophobicContact CE1-CD1 4.01Å; F275-F308 HydrophobicContact CZ-CD1 4.09Å; F275-I312 HydrophobicContact CE2-CD1 4.37Å; F275-I312 HydrophobicContact CZ-CD1 3.79Å
276	S	96.7	Very high	90.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.5	173.4	49.8	0	0	0	0	110.1	L257 S288 C289	L257-S276 CarbonylContact O-C 3.6Å; L257-S276 VanDerWaalsContact O-CA 3.3Å; L257-S276 WeakPolarHBondContact O-CA 3.08Å; S276-S288 PolarHBondContact O-N 2.67Å; S276-C289 PolarHBondContact N-O 3.21Å; S276-C289 WeakPolarHBondContact OG-CB 3.23Å; S276-C289 PolarHBondContact OG-N 3.34Å; S276-C289 PolarHBondContact OG-O 3.4Å
277	K	94.5	Very high	91.1	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.5	176.2	-179.8	179	-173	-97.6	0	108.3	F256 L257 Y259 F275 K279 I312 E316	F256-K277 CarbonylContact C-O 3.6Å; F256-K277 WeakPolarHBondContact CA-O 3.4Å; L257-K277 PolarHBondContact N-O 2.78Å; L257-K277 PolarHBondContact O-N 3.36Å; Y259-K277 HydrophobicContact CE2-CB 3.97Å; Y259-K277 HydrophobicContact CE2-CD 4.36Å; F275-K277 HydrophobicContact CE2-CB 4.4Å; K277-K279 PolarHBondContact O-N 3Å; K277-I312 HydrophobicContact CD-CG2 4.43Å; K277-E316 IonicContact NZ-OE1 3.07Å; K277-E316 PolarHBondContact NZ-OE1 2.88Å; K277-E316 IonicContact NZ-OE2 3.98Å; K277-E316 PolarHBondContact NZ-OE2 3.07Å
278	E	92.2	Very high	91.5	Very high	40 Å²	40	30.1 Å²	30.1	19%	0.187	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135.8	170.9	-73.3	174.2	-153.6	0	0	111	F256 W280 P281 S282	F256-E278 HydrophobicContact CD1-CG 3.82Å; F256-E278 HydrophobicContact CE1-CG 3.35Å; F256-E278 HydrophobicContact CZ-CG 4.07Å; E278-W280 VanDerWaalsContact C-N 3.29Å; E278-P281 HydrophobicContact CB-CB 4.11Å; E278-P281 WeakPolarHBondContact OE2-CA 3.37Å; E278-S282 PolarHBondContact OE2-N 3.47Å
279	K	90.6	Very high	91.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.017	14%	0.144	C	C	.	.	S	Bend	trans	-64.1	-37.4	173.5	-72.3	170.6	178.6	177.6	0	111.5	D220 E222 E254 P255 L257 K277 K424	D220-K279 VanDerWaalsContact CG-CE 3.45Å; D220-K279 WeakPolarHBondContact OD1-CE 3.31Å; D220-K279 IonicContact OD1-NZ 2.85Å; D220-K279 PolarHBondContact OD1-NZ 2.78Å; D220-K279 WeakPolarHBondContact OD2-CE 3.46Å; D220-K279 IonicContact OD2-NZ 2.73Å; E222-K279 IonicContact OE2-NZ 3.58Å; E254-K279 WeakPolarHBondContact O-CD 3.46Å; E254-K279 WeakPolarHBondContact O-CE 3.49Å; E254-K279 PolarHBondContact O-NZ 3.37Å; P255-K279 WeakPolarHBondContact O-CB 3.48Å; P255-K279 WeakPolarHBondContact O-CG 3.4Å; P255-K279 PolarHBondContact O-N 3.11Å; L257-K279 HydrophobicContact CD2-CG 4.33Å; L257-K279 HydrophobicContact CG-CG 3.97Å; K277-K279 PolarHBondContact O-N 3Å; K279-K424 HydrophobicContact CB-CD 4.11Å; K279-K424 HydrophobicContact CD-CD 4.35Å; K279-K424 HydrophobicContact CG-CD 4.16Å
280	W	86	Confident	92	Very high	136 Å²	136	27.5 Å²	27.5	52%	0.515	15%	0.145	S	C	.	.	S	Bend	trans	-130.4	71.1	-175.9	-42.2	-76.9	0	0	0	109.2	P255 E278 S282	P255-W280 HydrophobicContact CB-CZ3 4.23Å; E278-W280 VanDerWaalsContact C-N 3.29Å; W280-S282 PolarHBondContact O-N 3.35Å
281	P	79.8	Confident	92	Very high	27 Å²	27	26.9 Å²	26.9	18%	0.175	14%	0.143	C	C	.	.			trans	-63.4	131.8	-167.1	28.7	-36.7	0	0	0	110.9	E278 D283	E278-P281 HydrophobicContact CB-CB 4.11Å; E278-P281 WeakPolarHBondContact OE2-CA 3.37Å; P281-D283 VanDerWaalsContact C-N 3.27Å; P281-D283 WeakPolarHBondContact CB-O 3.31Å
282	S	74.1	Confident	92	Very high	88 Å²	88	27.9 Å²	27.9	62%	0.615	15%	0.149	S	C	*	.	S	Bend	trans	-74.7	-22	176.2	58.2	0	0	0	0	113.1	E278 W280	E278-S282 PolarHBondContact OE2-N 3.47Å; W280-S282 PolarHBondContact O-N 3.35Å
283	D	80.4	Confident	92	Very high	92 Å²	92	28 Å²	28	49%	0.492	15%	0.149	S	C	.	.	S	Bend	trans	-124.8	175.3	-178.5	-157.4	-12.4	0	0	0	109.9	P281 N285	P281-D283 VanDerWaalsContact C-N 3.27Å; P281-D283 WeakPolarHBondContact CB-O 3.31Å; D283-N285 PolarHBondContact O-N 2.84Å
284	D	83.3	Confident	91.9	Very high	60 Å²	60	29.6 Å²	29.6	32%	0.321	16%	0.16	S	C	.	.	S	Bend	trans	-77.8	28.5	175.2	-66.9	-43.9	0	0	0	112.8	G320 G321 L366 R426	D284-G320 WeakPolarHBondContact O-CA 2.94Å; D284-G321 PolarHBondContact O-N 2.99Å; D284-G321 VanDerWaalsContact O-N 3.09Å; D284-L366 HydrophobicContact CB-CD1 4.37Å; D284-L366 HydrophobicContact CB-CD2 3.78Å; D284-R426 IonicContact OD1-CZ 3.49Å; D284-R426 IonicContact OD1-NH1 2.93Å; D284-R426 PolarHBondContact OD1-NH1 3.21Å; D284-R426 IonicContact OD1-NH2 3.39Å; D284-R426 PolarHBondContact OD1-NH2 3.03Å
285	N	90.8	Very high	91.8	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.1	179.9	-65.3	-25.6	0	0	0	110.7	D283 G321 P322	D283-N285 PolarHBondContact O-N 2.84Å; N285-G321 CarbonylContact C-O 3.52Å; N285-G321 WeakPolarHBondContact CA-O 3.49Å; N285-P322 PolarHBondContact OD1-O 3.44Å
286	N	93.2	Very high	91.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-8.5	173	71.8	4.5	0	0	0	113.4	S309 S313 G321	N286-S309 PolarHBondContact ND2-O 3.44Å; N286-S309 PolarHBondContact OD1-OG 3.35Å; N286-S313 WeakPolarHBondContact CB-OG 3.48Å; N286-S313 PolarHBondContact ND2-OG 3.22Å; N286-S313 VanDerWaalsContact ND2-OG 3.12Å; N286-G321 PolarHBondContact N-O 3.23Å; N286-G321 PolarHBondContact OD1-O 3.42Å; N286-G321 VanDerWaalsContact OD1-O 3.14Å
287	L	94.8	Very high	91.7	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	122.3	-178.3	-172.5	147.2	0	0	0	109	F275 I290 E323 Y334	F275-L287 HydrophobicContact CB-CD1 3.45Å; F275-L287 VanDerWaalsContact CB-CD1 3.45Å; F275-L287 HydrophobicContact CB-CD2 4.49Å; F275-L287 HydrophobicContact CB-CG 3.77Å; F275-L287 HydrophobicContact CD1-CD1 4.23Å; F275-L287 HydrophobicContact CD2-CB 4.41Å; F275-L287 HydrophobicContact CD2-CD1 3.81Å; F275-L287 HydrophobicContact CD2-CG 3.92Å; F275-L287 HydrophobicContact CG-CD1 3.57Å; F275-L287 HydrophobicContact CG-CG 4.06Å; L287-I290 HydrophobicContact CD1-CB 4.11Å; L287-I290 HydrophobicContact CD1-CD1 4.14Å; L287-I290 HydrophobicContact CD2-CB 3.71Å; L287-I290 HydrophobicContact CD2-CG2 3.74Å; L287-I290 HydrophobicContact CG-CB 4.4Å; L287-E323 PolarHBondContact O-N 3.32Å; L287-Y334 WeakPolarHBondContact CD1-OH 3.45Å
288	S	93.5	Very high	91.7	Very high	16 Å²	16	48 Å²	48	11%	0.112	24%	0.238	C	C	.	.	S	Bend	trans	-91.1	-82.3	176.8	-52.1	0	0	0	0	110	S276 E323	S276-S288 PolarHBondContact O-N 2.67Å; S288-E323 WeakPolarHBondContact CA-OE2 3.33Å; S288-E323 VanDerWaalsContact CB-OE2 3.3Å; S288-E323 WeakPolarHBondContact CB-OE2 3.25Å
289	C	95.6	Very high	91.9	Very high	24 Å²	24	50 Å²	50	16%	0.162	25%	0.247	C	C	.	.			trans	-98.3	142.6	171.7	-62.7	0	0	0	0	111.7	L244 F275 S276	L244-C289 HydrophobicContact CD1-CB 4.1Å; F275-C289 CarbonylContact C-O 3.47Å; F275-C289 WeakPolarHBondContact CA-O 3.39Å; F275-C289 WeakPolarHBondContact CB-O 3.37Å; S276-C289 PolarHBondContact N-O 3.21Å; S276-C289 WeakPolarHBondContact OG-CB 3.23Å; S276-C289 PolarHBondContact OG-N 3.34Å; S276-C289 PolarHBondContact OG-O 3.4Å
290	I	97.2	Very high	92.2	Very high	33 Å²	33	50.8 Å²	50.8	17%	0.169	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.5	168.3	-179.4	169.8	0	0	0	110	Y274 F275 L287 L305 I306	Y274-I290 WeakPolarHBondContact O-CA 3.5Å; F275-I290 HydrophobicContact CB-CB 4.09Å; F275-I290 HydrophobicContact CB-CG1 4.29Å; L287-I290 HydrophobicContact CD1-CB 4.11Å; L287-I290 HydrophobicContact CD1-CD1 4.14Å; L287-I290 HydrophobicContact CD2-CB 3.71Å; L287-I290 HydrophobicContact CD2-CG2 3.74Å; L287-I290 HydrophobicContact CG-CB 4.4Å; I290-L305 HydrophobicContact CD1-CB 3.83Å; I290-L305 HydrophobicContact CD1-CD1 4.26Å; I290-L305 HydrophobicContact CG1-CD1 4.24Å; I290-I306 HydrophobicContact CD1-CG1 4Å
291	T	97.3	Very high	92.8	Very high	10 Å²	10	44.7 Å²	44.7	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	130.6	172.6	-54.9	0	0	0	0	110.2	F243 L244 G273 Y274 F293	F243-T291 HydrophobicContact CB-CG2 4.24Å; F243-T291 HydrophobicContact CD2-CG2 4.49Å; L244-T291 VanDerWaalsContact CD1-OG1 3.27Å; L244-T291 WeakPolarHBondContact CD1-OG1 3.35Å; L244-T291 WeakPolarHBondContact CG-OG1 3.08Å; G273-T291 CarbonylContact C-O 3.55Å; G273-T291 WeakPolarHBondContact CA-O 3.36Å; Y274-T291 PolarHBondContact N-O 3.47Å; Y274-T291 PolarHBondContact O-N 3.16Å; T291-F293 HydrophobicContact CG2-CD1 4.12Å; T291-F293 HydrophobicContact CG2-CE1 4.21Å
292	V	98.4	Very high	93.6	Very high	21 Å²	21	44.2 Å²	44.2	13%	0.127	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.1	163	179.3	0	0	0	0	107.1	Y296 Q297 Y301 L305	V292-Y296 WeakPolarHBondContact CG1-O 3.44Å; V292-Q297 HydrophobicContact CB-CG 4.24Å; V292-Q297 HydrophobicContact CG1-CG 3.94Å; V292-Q297 PolarHBondContact O-NE2 2.93Å; V292-Y301 HydrophobicContact CG1-CD2 4.44Å; V292-L305 HydrophobicContact CG2-CD1 4.21Å
293	F	98.2	Very high	94.7	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.21	C	C	.	.			trans	-66.2	144.7	-175.4	-59.2	-57.4	0	0	0	110.5	F153 F183 L236 L239 F243 A271 A272 T291 P295 Y296 Q297	F153-F293 HydrophobicContact CE1-CB 4.22Å; F153-F293 AromaticContact CE1-CD2 3.88Å; F153-F293 HydrophobicContact CE1-CD2 3.88Å; F153-F293 HydrophobicContact CE1-CG 4.16Å; F153-F293 AromaticContact CZ-CD2 3.71Å; F153-F293 HydrophobicContact CZ-CD2 3.71Å; F153-F293 AromaticContact CZ-CE2 3.93Å; F153-F293 HydrophobicContact CZ-CE2 3.93Å; F153-F293 HydrophobicContact CZ-CG 4.22Å; F183-F293 AromaticContact CE1-CE2 3.84Å; F183-F293 HydrophobicContact CE1-CE2 3.84Å; F183-F293 AromaticContact CE1-CZ 3.96Å; F183-F293 HydrophobicContact CE1-CZ 3.96Å; F183-F293 HydrophobicContact CZ-CE2 4.37Å; L236-F293 HydrophobicContact CD1-CZ 3.82Å; L239-F293 HydrophobicContact CD2-CD1 4.27Å; L239-F293 HydrophobicContact CD2-CE1 3.55Å; L239-F293 HydrophobicContact CD2-CE2 4.32Å; L239-F293 HydrophobicContact CD2-CZ 3.58Å; L239-F293 HydrophobicContact CG-CD1 4.45Å; L239-F293 HydrophobicContact CG-CE1 3.75Å; L239-F293 HydrophobicContact CG-CZ 4.23Å; F243-F293 HydrophobicContact CD2-CD1 4.26Å; F243-F293 HydrophobicContact CE2-CD1 4.19Å; A271-F293 HydrophobicContact CB-CE2 4.16Å; A271-F293 WeakPolarHBondContact O-CD2 3.22Å; A272-F293 PolarHBondContact O-N 3.31Å; T291-F293 HydrophobicContact CG2-CD1 4.12Å; T291-F293 HydrophobicContact CG2-CE1 4.21Å; F293-P295 VanDerWaalsContact C-CD 3.41Å; F293-P295 VanDerWaalsContact O-N 3.12Å; F293-Y296 HydrophobicContact CB-CD2 4.23Å; F293-Y296 PolarHBondContact O-N 3.36Å; F293-Q297 PolarHBondContact O-N 3.04Å
294	P	96.8	Very high	95.6	Very high	34 Å²	34	36.7 Å²	36.7	22%	0.221	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-49.8	-41.5	-168.6	-31.9	38.6	0	0	0	116.7	I158 F243 Y296 Q297	I158-P294 HydrophobicContact CG2-CB 3.93Å; I158-P294 HydrophobicContact CG2-CG 3.7Å; F243-P294 HydrophobicContact CD1-CG 4.03Å; F243-P294 HydrophobicContact CE1-CG 3.66Å; F243-P294 HydrophobicContact CZ-CG 3.97Å; P294-Y296 PolarHBondContact O-N 3.16Å; P294-Y296 VanDerWaalsContact O-N 3.12Å; P294-Q297 PolarHBondContact O-N 2.73Å
295	P	96.3	Very high	96.3	Very high	49 Å²	49	33.8 Å²	33.8	32%	0.318	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-62.6	-19.7	178.2	-23	35	0	0	0	114.6	C156 I158 F293	C156-P295 HydrophobicContact CB-CG 3.83Å; I158-P295 HydrophobicContact CD1-CG 3.61Å; I158-P295 HydrophobicContact CG1-CG 4.1Å; F293-P295 VanDerWaalsContact C-CD 3.41Å; F293-P295 VanDerWaalsContact O-N 3.12Å
296	Y	97.3	Very high	96.7	Very high	27 Å²	27	32.9 Å²	32.9	11%	0.106	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-108.8	2.9	-174.3	-58.7	-84.3	0	0	0	113.2	F153 E263 H270 A272 V292 F293 P294 Y301	F153-Y296 HydrophobicContact CE1-CE2 4.07Å; E263-Y296 HydrophobicContact CB-CE1 4.26Å; E263-Y296 WeakPolarHBondContact OE1-CE1 3.46Å; H270-Y296 WeakPolarHBondContact CB-OH 3.44Å; A272-Y296 HydrophobicContact CB-CD1 3.67Å; A272-Y296 HydrophobicContact CB-CD2 4.17Å; A272-Y296 HydrophobicContact CB-CE1 4.23Å; A272-Y296 HydrophobicContact CB-CG 3.63Å; V292-Y296 WeakPolarHBondContact CG1-O 3.44Å; F293-Y296 HydrophobicContact CB-CD2 4.23Å; F293-Y296 PolarHBondContact O-N 3.36Å; P294-Y296 PolarHBondContact O-N 3.16Å; P294-Y296 VanDerWaalsContact O-N 3.12Å; Y296-Y301 HydrophobicContact CD1-CE2 4.06Å; Y296-Y301 HydrophobicContact CG-CE2 4.42Å; Y296-Y301 WeakPolarHBondContact O-CD2 3.46Å
297	Q	95.8	Very high	96.9	Very high	66 Å²	66	33.4 Å²	33.4	31%	0.308	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	160.4	177.2	-69.1	179.4	5	0	0	111.7	V292 F293 P294 K299	V292-Q297 HydrophobicContact CB-CG 4.24Å; V292-Q297 HydrophobicContact CG1-CG 3.94Å; V292-Q297 PolarHBondContact O-NE2 2.93Å; F293-Q297 PolarHBondContact O-N 3.04Å; P294-Q297 PolarHBondContact O-N 2.73Å; Q297-K299 PolarHBondContact O-N 3.05Å; Q297-K299 VanDerWaalsContact O-N 3.1Å
298	R	94.1	Very high	97.1	Very high	255 Å²	255	33.2 Å²	33.2	96%	0.962	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	8.3	-177.5	-52.4	-168.7	-67.5	177.1	-1.8	115.8
299	K	96.5	Very high	97.2	Very high	84 Å²	84	32.5 Å²	32.5	37%	0.365	16%	0.163	S	C	.	.	S	Bend	trans	-89.7	3.8	172.4	-59.7	-177.9	68.9	173.5	0	114.4	E263 Q297 Y301 L410	E263-K299 IonicContact OE1-NZ 2.68Å; E263-K299 PolarHBondContact OE1-NZ 3.4Å; E263-K299 IonicContact OE2-NZ 2.79Å; E263-K299 PolarHBondContact OE2-NZ 3.32Å; Q297-K299 PolarHBondContact O-N 3.05Å; Q297-K299 VanDerWaalsContact O-N 3.1Å; K299-Y301 HydrophobicContact CB-CD1 4.34Å; K299-Y301 HydrophobicContact CB-CD2 4.19Å; K299-Y301 HydrophobicContact CB-CE1 4.11Å; K299-Y301 HydrophobicContact CB-CE2 3.97Å; K299-Y301 HydrophobicContact CB-CG 4.36Å; K299-Y301 HydrophobicContact CD-CE2 3.97Å; K299-Y301 VanDerWaalsContact CE-OH 3.23Å; K299-Y301 WeakPolarHBondContact CE-OH 3.29Å; K299-Y301 PolarHBondContact NZ-OH 2.87Å; K299-L410 WeakPolarHBondContact O-CD1 3.26Å
300	G	96.5	Very high	97.3	Very high	20 Å²	20	32 Å²	32	21%	0.206	16%	0.158	C	C	.	.	S	Bend	trans	88.7	-4.2	-177.4	0	0	0	0	0	115	G302 S303 F304	G300-G302 VanDerWaalsContact C-N 3.34Å; G300-G302 PolarHBondContact O-N 2.91Å; G300-S303 WeakPolarHBondContact O-CB 3.37Å; G300-S303 PolarHBondContact O-N 3.48Å; G300-S303 VanDerWaalsContact O-N 3.11Å; G300-F304 PolarHBondContact O-N 3.3Å
301	Y	98.3	Very high	97.2	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-32.8	-175.2	-62.1	-20.1	0	0	0	115.4	L214 L261 E263 A272 V292 Y296 K299 S303 F304 L305 L410	L214-Y301 HydrophobicContact CD1-CD1 4.35Å; L214-Y301 HydrophobicContact CD1-CE1 3.86Å; L214-Y301 HydrophobicContact CD2-CE1 3.7Å; L214-Y301 HydrophobicContact CG-CE1 4.43Å; L261-Y301 HydrophobicContact CD2-CD1 3.89Å; L261-Y301 HydrophobicContact CD2-CD2 4.05Å; L261-Y301 HydrophobicContact CD2-CG 3.6Å; E263-Y301 PolarHBondContact OE2-OH 2.82Å; A272-Y301 HydrophobicContact CB-CD2 3.77Å; A272-Y301 HydrophobicContact CB-CE2 3.74Å; V292-Y301 HydrophobicContact CG1-CD2 4.44Å; Y296-Y301 HydrophobicContact CD1-CE2 4.06Å; Y296-Y301 HydrophobicContact CG-CE2 4.42Å; Y296-Y301 WeakPolarHBondContact O-CD2 3.46Å; K299-Y301 HydrophobicContact CB-CD1 4.34Å; K299-Y301 HydrophobicContact CB-CD2 4.19Å; K299-Y301 HydrophobicContact CB-CE1 4.11Å; K299-Y301 HydrophobicContact CB-CE2 3.97Å; K299-Y301 HydrophobicContact CB-CG 4.36Å; K299-Y301 HydrophobicContact CD-CE2 3.97Å; K299-Y301 VanDerWaalsContact CE-OH 3.23Å; K299-Y301 WeakPolarHBondContact CE-OH 3.29Å; K299-Y301 PolarHBondContact NZ-OH 2.87Å; Y301-S303 VanDerWaalsContact C-N 3.34Å; Y301-S303 PolarHBondContact O-N 2.8Å; Y301-F304 WeakPolarHBondContact O-CB 3.47Å; Y301-F304 PolarHBondContact O-N 3.08Å; Y301-L305 WeakPolarHBondContact O-CB 3.45Å; Y301-L305 WeakPolarHBondContact O-CG 3.35Å; Y301-L305 PolarHBondContact O-N 3.49Å; Y301-L410 HydrophobicContact CD1-CD1 3.57Å; Y301-L410 HydrophobicContact CE1-CD1 3.62Å
302	G	97.3	Very high	97	Very high	17 Å²	17	31.6 Å²	31.6	18%	0.175	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-44.7	175	0	0	0	0	0	111.4	G300 F304 L305 I306	G300-G302 VanDerWaalsContact C-N 3.34Å; G300-G302 PolarHBondContact O-N 2.91Å; G302-F304 VanDerWaalsContact C-N 3.34Å; G302-L305 PolarHBondContact O-N 2.91Å; G302-I306 VanDerWaalsContact O-CG1 3.28Å; G302-I306 WeakPolarHBondContact O-CG1 3.42Å; G302-I306 PolarHBondContact O-N 3.17Å; G302-I306 VanDerWaalsContact O-N 3.1Å
303	S	97.2	Very high	96.8	Very high	21 Å²	21	30.7 Å²	30.7	15%	0.147	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-37.5	174.6	-179.8	0	0	0	0	111.9	G300 Y301 I306 Q307	G300-S303 WeakPolarHBondContact O-CB 3.37Å; G300-S303 PolarHBondContact O-N 3.48Å; G300-S303 VanDerWaalsContact O-N 3.11Å; Y301-S303 VanDerWaalsContact C-N 3.34Å; Y301-S303 PolarHBondContact O-N 2.8Å; S303-I306 PolarHBondContact O-N 3.26Å; S303-Q307 WeakPolarHBondContact O-CB 3.48Å; S303-Q307 VanDerWaalsContact O-CG 3.27Å; S303-Q307 WeakPolarHBondContact O-CG 3.41Å; S303-Q307 PolarHBondContact O-N 2.9Å; S303-Q307 PolarHBondContact O-NE2 3.04Å; S303-Q307 PolarHBondContact OG-NE2 3.34Å
304	F	98.5	Very high	96.5	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-45.1	177.6	-168	-102.5	0	0	0	112.3	Y209 L214 I216 L261 G300 Y301 G302 Q307 F308 L410 V412	Y209-F304 HydrophobicContact CD1-CZ 4.35Å; Y209-F304 HydrophobicContact CE1-CE1 4.36Å; Y209-F304 AromaticContact CE1-CZ 3.64Å; Y209-F304 HydrophobicContact CE1-CZ 3.64Å; L214-F304 HydrophobicContact CD1-CE1 4.44Å; I216-F304 HydrophobicContact CD1-CD1 4.27Å; I216-F304 HydrophobicContact CD1-CE1 3.84Å; L261-F304 HydrophobicContact CD1-CD1 4.22Å; L261-F304 HydrophobicContact CD1-CE1 4.17Å; L261-F304 HydrophobicContact CD2-CD1 4.49Å; G300-F304 PolarHBondContact O-N 3.3Å; Y301-F304 WeakPolarHBondContact O-CB 3.47Å; Y301-F304 PolarHBondContact O-N 3.08Å; G302-F304 VanDerWaalsContact C-N 3.34Å; F304-Q307 WeakPolarHBondContact O-CB 3.33Å; F304-Q307 PolarHBondContact O-N 3.43Å; F304-F308 PolarHBondContact O-N 3.01Å; F304-L410 HydrophobicContact CB-CB 4.42Å; F304-L410 HydrophobicContact CD2-CB 3.68Å; F304-L410 HydrophobicContact CE2-CB 4.36Å; F304-L410 HydrophobicContact CG-CB 4.37Å; F304-V412 HydrophobicContact CD1-CG2 4.32Å; F304-V412 HydrophobicContact CD2-CG2 3.56Å; F304-V412 HydrophobicContact CE1-CG2 4.21Å; F304-V412 HydrophobicContact CE2-CB 4.26Å; F304-V412 HydrophobicContact CE2-CG2 3.44Å; F304-V412 VanDerWaalsContact CE2-CG2 3.44Å; F304-V412 HydrophobicContact CG-CG2 4.02Å; F304-V412 HydrophobicContact CZ-CG2 3.78Å; F304-V412 WeakPolarHBondContact O-CG2 3.48Å
305	L	98.7	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-40.9	175.9	-71.6	174.5	0	0	0	112.2	I216 L261 F275 I290 V292 Y301 G302 F308 S309	I216-L305 HydrophobicContact CD1-CD2 4.39Å; L261-L305 HydrophobicContact CB-CD2 3.74Å; L261-L305 HydrophobicContact CB-CG 4.48Å; L261-L305 HydrophobicContact CD2-CD2 4.36Å; L261-L305 HydrophobicContact CD2-CG 4.35Å; F275-L305 HydrophobicContact CD1-CB 4.14Å; F275-L305 HydrophobicContact CD1-CD2 4.04Å; F275-L305 HydrophobicContact CE1-CD2 4.45Å; I290-L305 HydrophobicContact CD1-CB 3.83Å; I290-L305 HydrophobicContact CD1-CD1 4.26Å; I290-L305 HydrophobicContact CG1-CD1 4.24Å; V292-L305 HydrophobicContact CG2-CD1 4.21Å; Y301-L305 WeakPolarHBondContact O-CB 3.45Å; Y301-L305 WeakPolarHBondContact O-CG 3.35Å; Y301-L305 PolarHBondContact O-N 3.49Å; G302-L305 PolarHBondContact O-N 2.91Å; L305-F308 WeakPolarHBondContact O-CB 3.32Å; L305-F308 PolarHBondContact O-N 3.48Å; L305-S309 PolarHBondContact O-N 3.25Å
306	I	98.4	Very high	95.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-47.1	173.5	-67.6	167.8	0	0	0	110.3	I290 G302 S303 F308 S309 Y310 Y334 F337	I290-I306 HydrophobicContact CD1-CG1 4Å; G302-I306 VanDerWaalsContact O-CG1 3.28Å; G302-I306 WeakPolarHBondContact O-CG1 3.42Å; G302-I306 PolarHBondContact O-N 3.17Å; G302-I306 VanDerWaalsContact O-N 3.1Å; S303-I306 PolarHBondContact O-N 3.26Å; I306-F308 PolarHBondContact O-N 3.29Å; I306-S309 PolarHBondContact O-N 3.08Å; I306-S309 PolarHBondContact O-OG 3.23Å; I306-Y310 HydrophobicContact CG2-CD2 4.05Å; I306-Y310 HydrophobicContact CG2-CE2 4.05Å; I306-Y310 WeakPolarHBondContact O-CD2 3.35Å; I306-Y310 PolarHBondContact O-N 3Å; I306-Y310 VanDerWaalsContact O-N 3.17Å; I306-Y334 HydrophobicContact CD1-CD1 4.3Å; I306-Y334 HydrophobicContact CD1-CD2 3.95Å; I306-Y334 HydrophobicContact CD1-CE1 4.24Å; I306-Y334 HydrophobicContact CD1-CE2 3.86Å; I306-Y334 HydrophobicContact CD1-CG 4.16Å; I306-Y334 HydrophobicContact CG1-CE1 4.13Å; I306-Y334 HydrophobicContact CG1-CE2 4.08Å; I306-Y334 HydrophobicContact CG2-CD1 4.02Å; I306-Y334 HydrophobicContact CG2-CE1 3.63Å; I306-F337 HydrophobicContact CG2-CB 4.19Å; I306-F337 HydrophobicContact CG2-CD1 3.47Å; I306-F337 VanDerWaalsContact CG2-CD1 3.47Å; I306-F337 HydrophobicContact CG2-CD2 4.08Å; I306-F337 HydrophobicContact CG2-CE1 3.82Å; I306-F337 HydrophobicContact CG2-CE2 4.36Å; I306-F337 HydrophobicContact CG2-CG 3.62Å; I306-F337 HydrophobicContact CG2-CZ 4.24Å
307	Q	98.2	Very high	95.3	Very high	11 Å²	11	37.8 Å²	37.8	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-55.6	-42.3	175.4	-77.1	172.2	71.6	0	0	111.7	S303 F304 Y310 M311 F337 W340 L410 V412	S303-Q307 WeakPolarHBondContact O-CB 3.48Å; S303-Q307 VanDerWaalsContact O-CG 3.27Å; S303-Q307 WeakPolarHBondContact O-CG 3.41Å; S303-Q307 PolarHBondContact O-N 2.9Å; S303-Q307 PolarHBondContact O-NE2 3.04Å; S303-Q307 PolarHBondContact OG-NE2 3.34Å; F304-Q307 WeakPolarHBondContact O-CB 3.33Å; F304-Q307 PolarHBondContact O-N 3.43Å; Q307-Y310 PolarHBondContact O-N 2.95Å; Q307-M311 PolarHBondContact O-N 2.96Å; Q307-F337 HydrophobicContact CB-CE2 4.35Å; Q307-F337 HydrophobicContact CG-CD2 3.87Å; Q307-F337 HydrophobicContact CG-CE2 3.55Å; Q307-W340 HydrophobicContact CG-CZ3 4.11Å; Q307-L410 PolarHBondContact NE2-O 2.8Å; Q307-V412 HydrophobicContact CB-CB 4.03Å; Q307-V412 HydrophobicContact CB-CG2 3.56Å; Q307-V412 VanDerWaalsContact OE1-N 3.1Å
308	F	98.3	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-40.7	179.2	-160.8	-91.4	0	0	0	112.1	L208 Y209 I216 Y259 F275 F304 L305 I306 Y310 M311 I312 V412 L417	L208-F308 HydrophobicContact CB-CZ 4.42Å; Y209-F308 HydrophobicContact CD2-CD2 4.38Å; Y209-F308 AromaticContact CD2-CE2 3.66Å; Y209-F308 HydrophobicContact CD2-CE2 3.66Å; Y209-F308 HydrophobicContact CE2-CE2 4.42Å; Y209-F308 HydrophobicContact CG-CD2 4.48Å; Y209-F308 AromaticContact CG-CE2 3.73Å; Y209-F308 HydrophobicContact CG-CE2 3.73Å; I216-F308 HydrophobicContact CB-CZ 4.35Å; I216-F308 HydrophobicContact CD1-CB 4.11Å; I216-F308 HydrophobicContact CD1-CD1 4.05Å; I216-F308 HydrophobicContact CD1-CD2 3.47Å; I216-F308 VanDerWaalsContact CD1-CD2 3.47Å; I216-F308 HydrophobicContact CD1-CE1 4.35Å; I216-F308 HydrophobicContact CD1-CE2 3.81Å; I216-F308 HydrophobicContact CD1-CG 3.6Å; I216-F308 HydrophobicContact CD1-CZ 4.24Å; I216-F308 HydrophobicContact CG2-CD1 4.46Å; I216-F308 HydrophobicContact CG2-CE1 4.03Å; I216-F308 HydrophobicContact CG2-CZ 4.17Å; Y259-F308 HydrophobicContact CD1-CD1 4.39Å; Y259-F308 AromaticContact CD1-CE1 3.83Å; Y259-F308 HydrophobicContact CD1-CE1 3.83Å; Y259-F308 HydrophobicContact CE1-CE1 4.26Å; F275-F308 HydrophobicContact CE1-CB 4.39Å; F275-F308 HydrophobicContact CE1-CD1 4.01Å; F275-F308 HydrophobicContact CZ-CD1 4.09Å; F304-F308 PolarHBondContact O-N 3.01Å; L305-F308 WeakPolarHBondContact O-CB 3.32Å; L305-F308 PolarHBondContact O-N 3.48Å; I306-F308 PolarHBondContact O-N 3.29Å; F308-Y310 VanDerWaalsContact C-N 3.32Å; F308-Y310 PolarHBondContact O-N 3.31Å; F308-M311 HydrophobicContact CD2-CE 3.43Å; F308-M311 VanDerWaalsContact CD2-CE 3.43Å; F308-M311 HydrophobicContact CE1-CE 4.45Å; F308-M311 HydrophobicContact CE2-CE 3.21Å; F308-M311 HydrophobicContact CG-CE 4.16Å; F308-M311 HydrophobicContact CZ-CE 3.79Å; F308-M311 WeakPolarHBondContact O-CB 3.39Å; F308-M311 PolarHBondContact O-N 3.39Å; F308-I312 HydrophobicContact CD1-CD1 3.8Å; F308-I312 HydrophobicContact CD1-CG1 4.22Å; F308-I312 HydrophobicContact CE1-CD1 3.82Å; F308-I312 HydrophobicContact CE1-CG1 4.12Å; F308-I312 WeakPolarHBondContact O-CG1 3.44Å; F308-I312 PolarHBondContact O-N 3.43Å; F308-V412 HydrophobicContact CB-CG2 4.24Å; F308-V412 HydrophobicContact CD2-CG1 3.98Å; F308-V412 HydrophobicContact CD2-CG2 4.43Å; F308-L417 HydrophobicContact CE2-CD2 4.35Å; F308-L417 HydrophobicContact CZ-CD2 4.31Å
309	S	97.2	Very high	94.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-39.6	176.3	76.2	0	0	0	0	112.1	N286 L305 I306 I312 S313	N286-S309 PolarHBondContact ND2-O 3.44Å; N286-S309 PolarHBondContact OD1-OG 3.35Å; L305-S309 PolarHBondContact O-N 3.25Å; I306-S309 PolarHBondContact O-N 3.08Å; I306-S309 PolarHBondContact O-OG 3.23Å; S309-I312 PolarHBondContact O-N 3.42Å; S309-S313 PolarHBondContact O-N 2.63Å; S309-S313 VanDerWaalsContact O-N 3.14Å; S309-S313 PolarHBondContact O-OG 3.48Å
310	Y	96.6	Very high	94.5	Very high	13 Å²	13	23.1 Å²	23.1	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-70.2	-33	174.3	-83.3	-87.3	0	0	0	113.6	I306 Q307 F308 I312 S313 A314 G320 Y334 F337 W338 L365	I306-Y310 HydrophobicContact CG2-CD2 4.05Å; I306-Y310 HydrophobicContact CG2-CE2 4.05Å; I306-Y310 WeakPolarHBondContact O-CD2 3.35Å; I306-Y310 PolarHBondContact O-N 3Å; I306-Y310 VanDerWaalsContact O-N 3.17Å; Q307-Y310 PolarHBondContact O-N 2.95Å; F308-Y310 VanDerWaalsContact C-N 3.32Å; F308-Y310 PolarHBondContact O-N 3.31Å; Y310-I312 VanDerWaalsContact C-N 3.31Å; Y310-S313 PolarHBondContact O-N 2.91Å; Y310-A314 WeakPolarHBondContact O-CB 3.19Å; Y310-A314 PolarHBondContact O-N 3.33Å; Y310-G320 WeakPolarHBondContact CE1-O 3.27Å; Y310-G320 VanDerWaalsContact CZ-O 3.25Å; Y310-G320 PolarHBondContact OH-O 3.35Å; Y310-Y334 HydrophobicContact CE2-CE1 4.05Å; Y310-F337 HydrophobicContact CD1-CE1 4.38Å; Y310-F337 HydrophobicContact CD2-CD1 4.31Å; Y310-F337 AromaticContact CD2-CE1 3.3Å; Y310-F337 HydrophobicContact CD2-CE1 3.3Å; Y310-F337 AromaticContact CD2-CZ 3.54Å; Y310-F337 HydrophobicContact CD2-CZ 3.54Å; Y310-F337 HydrophobicContact CE1-CE1 4.42Å; Y310-F337 HydrophobicContact CE2-CD1 4.06Å; Y310-F337 AromaticContact CE2-CE1 3.31Å; Y310-F337 HydrophobicContact CE2-CE1 3.31Å; Y310-F337 HydrophobicContact CE2-CZ 4.06Å; Y310-F337 AromaticContact CG-CE1 3.85Å; Y310-F337 HydrophobicContact CG-CE1 3.85Å; Y310-F337 AromaticContact CG-CZ 3.79Å; Y310-F337 HydrophobicContact CG-CZ 3.79Å; Y310-F337 AromaticContact CZ-CE1 3.92Å; Y310-W338 AromaticContact CZ-NE1 3.9Å; Y310-W338 PolarHBondContact OH-NE1 2.94Å; Y310-L365 HydrophobicContact CD1-CD2 4.01Å; Y310-L365 HydrophobicContact CE1-CD2 3.3Å; Y310-L365 HydrophobicContact CE2-CD2 4.39Å
311	M	95.3	Very high	94.3	Very high	30 Å²	30	22.2 Å²	22.2	15%	0.148	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-40.5	173.2	-176.4	-177.7	66.4	0	0	111.1	Y209 Q307 F308 A314 G315 V412 P414 L417	Y209-M311 HydrophobicContact CD2-CE 4.45Å; Q307-M311 PolarHBondContact O-N 2.96Å; F308-M311 HydrophobicContact CD2-CE 3.43Å; F308-M311 VanDerWaalsContact CD2-CE 3.43Å; F308-M311 HydrophobicContact CE1-CE 4.45Å; F308-M311 HydrophobicContact CE2-CE 3.21Å; F308-M311 HydrophobicContact CG-CE 4.16Å; F308-M311 HydrophobicContact CZ-CE 3.79Å; F308-M311 WeakPolarHBondContact O-CB 3.39Å; F308-M311 PolarHBondContact O-N 3.39Å; M311-A314 PolarHBondContact O-N 3.31Å; M311-G315 PolarHBondContact O-N 2.89Å; M311-V412 HydrophobicContact CE-CG1 3.82Å; M311-V412 HydrophobicContact SD-CG1 3.51Å; M311-V412 VanDerWaalsContact SD-CG1 3.51Å; M311-P414 HydrophobicContact CG-CG 4.44Å; M311-P414 HydrophobicContact SD-CB 4.19Å; M311-P414 HydrophobicContact SD-CG 3.88Å; M311-L417 HydrophobicContact CE-CD1 4.03Å; M311-L417 HydrophobicContact CE-CD2 3.74Å; M311-L417 HydrophobicContact CE-CG 4.05Å; M311-L417 HydrophobicContact SD-CD1 4.06Å; M311-L417 HydrophobicContact SD-CG 4.43Å
312	I	94.3	Very high	94.1	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-50.5	174.1	-62.5	164.3	0	0	0	110.3	Y259 F275 K277 F308 S309 Y310 A314 G315 E316 P421	Y259-I312 HydrophobicContact CD1-CD1 3.98Å; Y259-I312 HydrophobicContact CD2-CD1 4.41Å; Y259-I312 HydrophobicContact CE1-CD1 3.48Å; Y259-I312 VanDerWaalsContact CE1-CD1 3.48Å; Y259-I312 HydrophobicContact CE2-CD1 4Å; Y259-I312 HydrophobicContact CG-CD1 4.39Å; Y259-I312 VanDerWaalsContact CZ-CD1 3.49Å; F275-I312 HydrophobicContact CE2-CD1 4.37Å; F275-I312 HydrophobicContact CZ-CD1 3.79Å; K277-I312 HydrophobicContact CD-CG2 4.43Å; F308-I312 HydrophobicContact CD1-CD1 3.8Å; F308-I312 HydrophobicContact CD1-CG1 4.22Å; F308-I312 HydrophobicContact CE1-CD1 3.82Å; F308-I312 HydrophobicContact CE1-CG1 4.12Å; F308-I312 WeakPolarHBondContact O-CG1 3.44Å; F308-I312 PolarHBondContact O-N 3.43Å; S309-I312 PolarHBondContact O-N 3.42Å; Y310-I312 VanDerWaalsContact C-N 3.31Å; I312-A314 VanDerWaalsContact C-N 3.27Å; I312-A314 PolarHBondContact O-N 3.02Å; I312-G315 PolarHBondContact O-N 3.09Å; I312-G315 VanDerWaalsContact O-N 3.07Å; I312-E316 HydrophobicContact CG2-CG 4.43Å; I312-E316 PolarHBondContact O-N 3.5Å; I312-P421 HydrophobicContact CG1-CB 4.15Å; I312-P421 HydrophobicContact CG1-CG 3.91Å; I312-P421 HydrophobicContact CG2-CB 4.34Å
313	S	92.6	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-40.7	177.9	-61.9	0	0	0	0	112.7	N286 S309 Y310 E316 G317 I318	N286-S313 WeakPolarHBondContact CB-OG 3.48Å; N286-S313 PolarHBondContact ND2-OG 3.22Å; N286-S313 VanDerWaalsContact ND2-OG 3.12Å; S309-S313 PolarHBondContact O-N 2.63Å; S309-S313 VanDerWaalsContact O-N 3.14Å; S309-S313 PolarHBondContact O-OG 3.48Å; Y310-S313 PolarHBondContact O-N 2.91Å; S313-E316 CarbonylContact O-C 3.57Å; S313-E316 PolarHBondContact O-N 3.1Å; S313-G317 PolarHBondContact O-N 3.05Å; S313-I318 CarbonylContact C-O 3.57Å; S313-I318 PolarHBondContact O-N 2.94Å; S313-I318 VanDerWaalsContact O-O 3.13Å
314	A	91.7	Very high	93.2	Very high	73 Å²	73	28.6 Å²	28.6	60%	0.603	18%	0.183	S	C	*	.	H	α-helix	trans	-63	-42.2	175.9	0	0	0	0	0	111.9	Y310 M311 I312 E316 G317	Y310-A314 WeakPolarHBondContact O-CB 3.19Å; Y310-A314 PolarHBondContact O-N 3.33Å; M311-A314 PolarHBondContact O-N 3.31Å; I312-A314 VanDerWaalsContact C-N 3.27Å; I312-A314 PolarHBondContact O-N 3.02Å; A314-E316 VanDerWaalsContact C-N 3.3Å; A314-E316 PolarHBondContact O-N 2.83Å; A314-G317 PolarHBondContact O-N 3.38Å; A314-G317 VanDerWaalsContact O-N 3.1Å
315	G	89.6	Confident	92.5	Very high	69 Å²	69	31.6 Å²	31.6	71%	0.711	20%	0.202	S	C	*	.	H	α-helix	trans	-65.1	-31.3	173.6	0	0	0	0	0	113.7	M311 I312 G317	M311-G315 PolarHBondContact O-N 2.89Å; I312-G315 PolarHBondContact O-N 3.09Å; I312-G315 VanDerWaalsContact O-N 3.07Å; G315-G317 VanDerWaalsContact C-N 3.27Å
316	E	88.4	Confident	91.9	Very high	46 Å²	46	32.6 Å²	32.6	22%	0.215	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.9	173	-72.5	177.9	165	0	0	113.1	K277 I312 S313 A314 I318 T423	K277-E316 IonicContact NZ-OE1 3.07Å; K277-E316 PolarHBondContact NZ-OE1 2.88Å; K277-E316 IonicContact NZ-OE2 3.98Å; K277-E316 PolarHBondContact NZ-OE2 3.07Å; I312-E316 HydrophobicContact CG2-CG 4.43Å; I312-E316 PolarHBondContact O-N 3.5Å; S313-E316 CarbonylContact O-C 3.57Å; S313-E316 PolarHBondContact O-N 3.1Å; A314-E316 VanDerWaalsContact C-N 3.3Å; A314-E316 PolarHBondContact O-N 2.83Å; E316-I318 VanDerWaalsContact C-N 3.27Å; E316-I318 HydrophobicContact CB-CD1 4.38Å; E316-I318 HydrophobicContact CB-CG1 3.9Å; E316-I318 PolarHBondContact O-N 3.24Å; E316-I318 WeakPolarHBondContact OE2-CD1 3.4Å; E316-T423 HydrophobicContact CG-CG2 3.63Å
317	G	87.7	Confident	91.3	Very high	72 Å²	72	34.8 Å²	34.8	74%	0.742	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	24.9	-176.6	0	0	0	0	0	113.8	S313 A314 G315	S313-G317 PolarHBondContact O-N 3.05Å; A314-G317 PolarHBondContact O-N 3.38Å; A314-G317 VanDerWaalsContact O-N 3.1Å; G315-G317 VanDerWaalsContact C-N 3.27Å
318	I	89.5	Confident	90.7	Very high	41 Å²	41	35.9 Å²	35.9	21%	0.21	23%	0.229	C	C	.	.			trans	-115.2	154.2	-180	63.1	167.1	0	0	0	111.6	S313 E316	S313-I318 CarbonylContact C-O 3.57Å; S313-I318 PolarHBondContact O-N 2.94Å; S313-I318 VanDerWaalsContact O-O 3.13Å; E316-I318 VanDerWaalsContact C-N 3.27Å; E316-I318 HydrophobicContact CB-CD1 4.38Å; E316-I318 HydrophobicContact CB-CG1 3.9Å; E316-I318 PolarHBondContact O-N 3.24Å; E316-I318 WeakPolarHBondContact OE2-CD1 3.4Å
319	L	92.8	Very high	90.3	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	25%	0.25	S	S	.	.			trans	-78.4	146.3	163.8	-56.1	176	0	0	0	108.5	S360 L366	L319-S360 WeakPolarHBondContact CD1-OG 3.45Å; L319-L366 HydrophobicContact CB-CD2 3.84Å
320	G	88.3	Confident	90	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-133.1	148.2	-178.1	0	0	0	0	0	112.7	D284 Y310 G364	D284-G320 WeakPolarHBondContact O-CA 2.94Å; Y310-G320 WeakPolarHBondContact CE1-O 3.27Å; Y310-G320 VanDerWaalsContact CZ-O 3.25Å; Y310-G320 PolarHBondContact OH-O 3.35Å; G320-G364 PolarHBondContact N-O 3.37Å
321	G	92.2	Very high	89.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	169.9	169.4	0	0	0	0	0	111.9	D284 N285 N286	D284-G321 PolarHBondContact O-N 2.99Å; D284-G321 VanDerWaalsContact O-N 3.09Å; N285-G321 CarbonylContact C-O 3.52Å; N285-G321 WeakPolarHBondContact CA-O 3.49Å; N286-G321 PolarHBondContact N-O 3.23Å; N286-G321 PolarHBondContact OD1-O 3.42Å; N286-G321 VanDerWaalsContact OD1-O 3.14Å
322	P	94.3	Very high	89.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	152.2	168.4	28.3	-30.2	0	0	0	112.3	N285 L326 Y334 W338	N285-P322 PolarHBondContact OD1-O 3.44Å; P322-L326 HydrophobicContact CB-CD2 3.6Å; P322-L326 HydrophobicContact CG-CD1 4.26Å; P322-L326 HydrophobicContact CG-CD2 3.75Å; P322-L326 HydrophobicContact CG-CG 4.34Å; P322-Y334 HydrophobicContact CB-CD1 4.5Å; P322-Y334 HydrophobicContact CB-CD2 4.25Å; P322-Y334 HydrophobicContact CB-CE1 3.92Å; P322-Y334 HydrophobicContact CB-CE2 3.66Å; P322-Y334 VanDerWaalsContact CB-CZ 3.49Å; P322-Y334 HydrophobicContact CG-CD1 3.98Å; P322-Y334 HydrophobicContact CG-CD2 4.19Å; P322-Y334 HydrophobicContact CG-CE1 3.83Å; P322-Y334 HydrophobicContact CG-CE2 4.07Å; P322-Y334 HydrophobicContact CG-CG 4.16Å; P322-W338 HydrophobicContact CG-CH2 4.28Å; P322-W338 HydrophobicContact CG-CZ2 3.85Å
323	E	88.4	Confident	89.4	Confident	82 Å²	82	47.4 Å²	47.4	38%	0.383	29%	0.286	S	S	.	.			trans	-57.3	144.3	159.5	-170.7	179.3	-176.4	0	0	111.1	L287 S288	L287-E323 PolarHBondContact O-N 3.32Å; S288-E323 WeakPolarHBondContact CA-OE2 3.33Å; S288-E323 VanDerWaalsContact CB-OE2 3.3Å; S288-E323 WeakPolarHBondContact CB-OE2 3.25Å
324	R	86	Confident	89.6	Confident	97 Å²	97	47.4 Å²	47.4	37%	0.366	29%	0.286	S	S	.	.	S	Bend	trans	-116	150.2	-179.2	-71.8	180	167.1	81.1	-1.4	110.3	D369 E372	R324-D369 IonicContact CZ-OD1 3.07Å; R324-D369 IonicContact NH1-OD1 3.53Å; R324-D369 PolarHBondContact NH1-OD1 3.1Å; R324-D369 IonicContact NH2-OD1 3.48Å; R324-D369 PolarHBondContact NH2-OD1 3.14Å; R324-E372 IonicContact NH2-OE2 3.83Å; R324-E372 PolarHBondContact NH2-OE2 2.85Å; R324-E372 VanDerWaalsContact NH2-OE2 3.14Å
325	P	83.7	Confident	89.7	Confident	63 Å²	63	47.4 Å²	47.4	41%	0.409	27%	0.271	S	S	.	.	S	Bend	cis	-77.3	148	1.2	31.6	-35.4	0	0	0	113.4	Y123	Y123-P325 HydrophobicContact CD1-CB 3.97Å; Y123-P325 HydrophobicContact CE1-CB 3.8Å
326	L	85.7	Confident	89.9	Confident	21 Å²	21	45.8 Å²	45.8	11%	0.11	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-76.6	134.5	175.4	-71.9	177.6	0	0	0	111	P322 R331 Y334 W338	P322-L326 HydrophobicContact CB-CD2 3.6Å; P322-L326 HydrophobicContact CG-CD1 4.26Å; P322-L326 HydrophobicContact CG-CD2 3.75Å; P322-L326 HydrophobicContact CG-CG 4.34Å; L326-R331 HydrophobicContact CB-CG 3.5Å; L326-R331 VanDerWaalsContact CB-CG 3.5Å; L326-R331 HydrophobicContact CD1-CG 4.27Å; L326-R331 PolarHBondContact O-NH1 3.11Å; L326-Y334 HydrophobicContact CD1-CD2 4.24Å; L326-Y334 HydrophobicContact CD1-CG 4.43Å; L326-Y334 HydrophobicContact CD2-CD2 3.78Å; L326-Y334 HydrophobicContact CD2-CE2 4Å; L326-W338 HydrophobicContact CD1-CH2 4.38Å
327	S	87.4	Confident	90.3	Very high	48 Å²	48	43.7 Å²	43.7	34%	0.336	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-62.6	163.6	166.8	69.6	0	0	0	0	111.6	F329 G330 R331	S327-F329 VanDerWaalsContact C-N 3.3Å; S327-F329 PolarHBondContact O-N 2.88Å; S327-G330 CarbonylContact O-C 3.58Å; S327-G330 VanDerWaalsContact O-CA 3.28Å; S327-G330 WeakPolarHBondContact O-CA 3.18Å; S327-G330 PolarHBondContact O-N 3.04Å; S327-G330 PolarHBondContact OG-N 3.31Å; S327-R331 WeakPolarHBondContact O-CG 3.01Å; S327-R331 PolarHBondContact O-N 2.78Å
328	D	85	Confident	90.8	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-43.9	-175.6	-31.9	-40.9	0	0	0	111.5	R72 D121 G330 R331 I332	R72-D328 IonicContact CZ-OD2 3.37Å; R72-D328 IonicContact NH1-OD2 2.87Å; R72-D328 PolarHBondContact NH1-OD2 3.18Å; R72-D328 VanDerWaalsContact NH1-OD2 3.07Å; R72-D328 IonicContact NH2-OD2 3.15Å; R72-D328 PolarHBondContact NH2-OD2 2.69Å; D121-D328 VanDerWaalsContact OD1-OD1 3.07Å; D328-G330 VanDerWaalsContact C-N 3.33Å; D328-G330 PolarHBondContact O-N 2.97Å; D328-R331 PolarHBondContact O-N 2.67Å; D328-R331 IonicContact OD1-CZ 2.8Å; D328-R331 VanDerWaalsContact OD1-CZ 3.3Å; D328-R331 IonicContact OD1-NH1 2.72Å; D328-R331 PolarHBondContact OD1-NH1 2.83Å; D328-R331 IonicContact OD1-NH2 2.76Å; D328-R331 PolarHBondContact OD1-NH2 3.07Å; D328-I332 WeakPolarHBondContact O-CG1 3.24Å; D328-I332 PolarHBondContact O-N 3.17Å; D328-I332 VanDerWaalsContact O-N 3.14Å
329	F	88.6	Confident	91.2	Very high	102 Å²	102	38.4 Å²	38.4	45%	0.447	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-37	173.1	-64.2	-56.5	0	0	0	112.3	W161 S327 S333	W161-F329 AromaticContact CH2-CE2 3.78Å; W161-F329 HydrophobicContact CH2-CE2 3.78Å; W161-F329 HydrophobicContact CH2-CZ 4.4Å; W161-F329 HydrophobicContact CZ3-CD2 4.41Å; W161-F329 AromaticContact CZ3-CE2 3.83Å; W161-F329 HydrophobicContact CZ3-CE2 3.83Å; S327-F329 VanDerWaalsContact C-N 3.3Å; S327-F329 PolarHBondContact O-N 2.88Å; F329-S333 WeakPolarHBondContact O-CB 3.42Å; F329-S333 PolarHBondContact O-N 2.8Å; F329-S333 PolarHBondContact O-OG 2.99Å
330	G	91.2	Very high	91.4	Very high	6 Å²	6	36.2 Å²	36.2	6%	0.062	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-51.6	173.1	0	0	0	0	0	112	S327 D328 I332 S333 Y334	S327-G330 CarbonylContact O-C 3.58Å; S327-G330 VanDerWaalsContact O-CA 3.28Å; S327-G330 WeakPolarHBondContact O-CA 3.18Å; S327-G330 PolarHBondContact O-N 3.04Å; S327-G330 PolarHBondContact OG-N 3.31Å; D328-G330 VanDerWaalsContact C-N 3.33Å; D328-G330 PolarHBondContact O-N 2.97Å; G330-I332 VanDerWaalsContact C-N 3.31Å; G330-I332 PolarHBondContact O-N 2.87Å; G330-S333 PolarHBondContact O-N 2.76Å; G330-S333 VanDerWaalsContact O-N 3.14Å; G330-Y334 WeakPolarHBondContact O-CB 3.44Å; G330-Y334 WeakPolarHBondContact O-CD2 2.97Å; G330-Y334 PolarHBondContact O-N 2.83Å
331	R	89.9	Confident	91.8	Very high	58 Å²	58	38.9 Å²	38.9	22%	0.219	19%	0.192	C	C	.	.	H	α-helix	trans	-54.9	-46.9	178.5	-68.6	-166.5	-60.8	-80.2	6.5	111.2	D121 L326 S327 D328 R335	D121-R331 IonicContact OD1-NH2 3.14Å; D121-R331 PolarHBondContact OD1-NH2 2.8Å; L326-R331 HydrophobicContact CB-CG 3.5Å; L326-R331 VanDerWaalsContact CB-CG 3.5Å; L326-R331 HydrophobicContact CD1-CG 4.27Å; L326-R331 PolarHBondContact O-NH1 3.11Å; S327-R331 WeakPolarHBondContact O-CG 3.01Å; S327-R331 PolarHBondContact O-N 2.78Å; D328-R331 PolarHBondContact O-N 2.67Å; D328-R331 IonicContact OD1-CZ 2.8Å; D328-R331 VanDerWaalsContact OD1-CZ 3.3Å; D328-R331 IonicContact OD1-NH1 2.72Å; D328-R331 PolarHBondContact OD1-NH1 2.83Å; D328-R331 IonicContact OD1-NH2 2.76Å; D328-R331 PolarHBondContact OD1-NH2 3.07Å; R331-R335 WeakPolarHBondContact O-CB 3.26Å; R331-R335 PolarHBondContact O-N 3.48Å
332	I	90.7	Very high	92	Very high	88 Å²	88	39 Å²	39	45%	0.451	19%	0.192	S	C	.	.	H	α-helix	trans	-63	-48.8	178.3	-66	167.8	0	0	0	110.7	D328 G330 R335 T336	D328-I332 WeakPolarHBondContact O-CG1 3.24Å; D328-I332 PolarHBondContact O-N 3.17Å; D328-I332 VanDerWaalsContact O-N 3.14Å; G330-I332 VanDerWaalsContact C-N 3.31Å; G330-I332 PolarHBondContact O-N 2.87Å; I332-R335 PolarHBondContact O-N 3.02Å; I332-T336 WeakPolarHBondContact O-CG2 3.23Å; I332-T336 PolarHBondContact O-N 3.38Å; I332-T336 VanDerWaalsContact O-N 3.08Å; I332-T336 PolarHBondContact O-OG1 3.02Å
333	S	94.1	Very high	92	Very high	36 Å²	36	39 Å²	39	25%	0.252	19%	0.192	S	C	.	.	H	α-helix	trans	-66.5	-45.2	-174.8	-57.3	0	0	0	0	112.6	F329 G330 T336 F337	F329-S333 WeakPolarHBondContact O-CB 3.42Å; F329-S333 PolarHBondContact O-N 2.8Å; F329-S333 PolarHBondContact O-OG 2.99Å; G330-S333 PolarHBondContact O-N 2.76Å; G330-S333 VanDerWaalsContact O-N 3.14Å; S333-T336 PolarHBondContact O-OG1 2.88Å; S333-F337 WeakPolarHBondContact O-CB 3.39Å; S333-F337 PolarHBondContact O-N 3.02Å
334	Y	95.8	Very high	92.4	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-41.9	176.5	-85.4	-77.4	0	0	0	111.6	L287 I306 Y310 P322 L326 G330 T336 F337 W338	L287-Y334 WeakPolarHBondContact CD1-OH 3.45Å; I306-Y334 HydrophobicContact CD1-CD1 4.3Å; I306-Y334 HydrophobicContact CD1-CD2 3.95Å; I306-Y334 HydrophobicContact CD1-CE1 4.24Å; I306-Y334 HydrophobicContact CD1-CE2 3.86Å; I306-Y334 HydrophobicContact CD1-CG 4.16Å; I306-Y334 HydrophobicContact CG1-CE1 4.13Å; I306-Y334 HydrophobicContact CG1-CE2 4.08Å; I306-Y334 HydrophobicContact CG2-CD1 4.02Å; I306-Y334 HydrophobicContact CG2-CE1 3.63Å; Y310-Y334 HydrophobicContact CE2-CE1 4.05Å; P322-Y334 HydrophobicContact CB-CD1 4.5Å; P322-Y334 HydrophobicContact CB-CD2 4.25Å; P322-Y334 HydrophobicContact CB-CE1 3.92Å; P322-Y334 HydrophobicContact CB-CE2 3.66Å; P322-Y334 VanDerWaalsContact CB-CZ 3.49Å; P322-Y334 HydrophobicContact CG-CD1 3.98Å; P322-Y334 HydrophobicContact CG-CD2 4.19Å; P322-Y334 HydrophobicContact CG-CE1 3.83Å; P322-Y334 HydrophobicContact CG-CE2 4.07Å; P322-Y334 HydrophobicContact CG-CG 4.16Å; L326-Y334 HydrophobicContact CD1-CD2 4.24Å; L326-Y334 HydrophobicContact CD1-CG 4.43Å; L326-Y334 HydrophobicContact CD2-CD2 3.78Å; L326-Y334 HydrophobicContact CD2-CE2 4Å; G330-Y334 WeakPolarHBondContact O-CB 3.44Å; G330-Y334 WeakPolarHBondContact O-CD2 2.97Å; G330-Y334 PolarHBondContact O-N 2.83Å; Y334-T336 VanDerWaalsContact C-N 3.34Å; Y334-T336 PolarHBondContact O-N 2.83Å; Y334-F337 PolarHBondContact O-N 3.35Å; Y334-W338 AromaticContact CD1-CE2 3.72Å; Y334-W338 AromaticContact CD1-CZ2 3.77Å; Y334-W338 HydrophobicContact CD1-CZ2 3.77Å; Y334-W338 AromaticContact CD1-NE1 3.65Å; Y334-W338 HydrophobicContact CG-CZ2 4.15Å; Y334-W338 WeakPolarHBondContact O-CB 3.36Å; Y334-W338 PolarHBondContact O-N 2.81Å
335	R	93.7	Very high	92.8	Very high	74 Å²	74	34.3 Å²	34.3	28%	0.279	17%	0.174	S	C	.	.	H	α-helix	trans	-59.4	-43.3	177.2	-179.4	170.8	61	-169.5	9.3	112.4	R331 I332 T339 T376 Y404	R331-R335 WeakPolarHBondContact O-CB 3.26Å; R331-R335 PolarHBondContact O-N 3.48Å; I332-R335 PolarHBondContact O-N 3.02Å; R335-T339 VanDerWaalsContact O-CB 3.24Å; R335-T339 WeakPolarHBondContact O-CB 3.48Å; R335-T339 PolarHBondContact O-N 3.32Å; R335-T339 VanDerWaalsContact O-N 3.07Å; R335-T339 PolarHBondContact O-OG1 3.43Å; R335-T376 HydrophobicContact CG-CG2 4.25Å; R335-Y404 VanDerWaalsContact CD-CD1 3.47Å; R335-Y404 HydrophobicContact CG-CD1 4.02Å; R335-Y404 HydrophobicContact CG-CG 4.26Å; R335-Y404 VanDerWaalsContact NE-CE1 3.29Å
336	T	95	Very high	93.2	Very high	35 Å²	35	31.5 Å²	31.5	22%	0.215	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-41	176.5	54.8	0	0	0	0	111.8	I332 S333 Y334 W340 Y404	I332-T336 WeakPolarHBondContact O-CG2 3.23Å; I332-T336 PolarHBondContact O-N 3.38Å; I332-T336 VanDerWaalsContact O-N 3.08Å; I332-T336 PolarHBondContact O-OG1 3.02Å; S333-T336 PolarHBondContact O-OG1 2.88Å; Y334-T336 VanDerWaalsContact C-N 3.34Å; Y334-T336 PolarHBondContact O-N 2.83Å; T336-W340 WeakPolarHBondContact O-CB 3.47Å; T336-W340 PolarHBondContact O-N 3.33Å; T336-Y404 WeakPolarHBondContact CA-O 3.32Å
337	F	97	Very high	93.6	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-48.4	178.3	169.9	-101	0	0	0	112.6	I306 Q307 Y310 S333 Y334 W340 K341 L365	I306-F337 HydrophobicContact CG2-CB 4.19Å; I306-F337 HydrophobicContact CG2-CD1 3.47Å; I306-F337 VanDerWaalsContact CG2-CD1 3.47Å; I306-F337 HydrophobicContact CG2-CD2 4.08Å; I306-F337 HydrophobicContact CG2-CE1 3.82Å; I306-F337 HydrophobicContact CG2-CE2 4.36Å; I306-F337 HydrophobicContact CG2-CG 3.62Å; I306-F337 HydrophobicContact CG2-CZ 4.24Å; Q307-F337 HydrophobicContact CB-CE2 4.35Å; Q307-F337 HydrophobicContact CG-CD2 3.87Å; Q307-F337 HydrophobicContact CG-CE2 3.55Å; Y310-F337 HydrophobicContact CD1-CE1 4.38Å; Y310-F337 HydrophobicContact CD2-CD1 4.31Å; Y310-F337 AromaticContact CD2-CE1 3.3Å; Y310-F337 HydrophobicContact CD2-CE1 3.3Å; Y310-F337 AromaticContact CD2-CZ 3.54Å; Y310-F337 HydrophobicContact CD2-CZ 3.54Å; Y310-F337 HydrophobicContact CE1-CE1 4.42Å; Y310-F337 HydrophobicContact CE2-CD1 4.06Å; Y310-F337 AromaticContact CE2-CE1 3.31Å; Y310-F337 HydrophobicContact CE2-CE1 3.31Å; Y310-F337 HydrophobicContact CE2-CZ 4.06Å; Y310-F337 AromaticContact CG-CE1 3.85Å; Y310-F337 HydrophobicContact CG-CE1 3.85Å; Y310-F337 AromaticContact CG-CZ 3.79Å; Y310-F337 HydrophobicContact CG-CZ 3.79Å; Y310-F337 AromaticContact CZ-CE1 3.92Å; S333-F337 WeakPolarHBondContact O-CB 3.39Å; S333-F337 PolarHBondContact O-N 3.02Å; Y334-F337 PolarHBondContact O-N 3.35Å; F337-W340 AromaticContact CD2-CE3 3.93Å; F337-W340 HydrophobicContact CD2-CE3 3.93Å; F337-W340 HydrophobicContact CD2-CZ3 4.08Å; F337-W340 HydrophobicContact CE2-CE3 4.1Å; F337-W340 AromaticContact CE2-CZ3 3.88Å; F337-W340 HydrophobicContact CE2-CZ3 3.88Å; F337-W340 WeakPolarHBondContact O-CB 3.46Å; F337-W340 PolarHBondContact O-N 3.31Å; F337-K341 HydrophobicContact CD2-CG 4.43Å; F337-K341 HydrophobicContact CE1-CG 4.12Å; F337-K341 HydrophobicContact CE2-CD 4.42Å; F337-K341 HydrophobicContact CE2-CG 3.88Å; F337-K341 HydrophobicContact CZ-CD 4.35Å; F337-K341 HydrophobicContact CZ-CG 3.72Å; F337-K341 PolarHBondContact O-N 3.49Å; F337-L365 HydrophobicContact CE1-CD2 4.04Å
338	W	97.8	Very high	94	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-42.4	178.4	-64.2	-26.5	0	0	0	111.8	Y310 P322 L326 Y334 W340 K341 I342 L365 D369 T373	Y310-W338 AromaticContact CZ-NE1 3.9Å; Y310-W338 PolarHBondContact OH-NE1 2.94Å; P322-W338 HydrophobicContact CG-CH2 4.28Å; P322-W338 HydrophobicContact CG-CZ2 3.85Å; L326-W338 HydrophobicContact CD1-CH2 4.38Å; Y334-W338 AromaticContact CD1-CE2 3.72Å; Y334-W338 AromaticContact CD1-CZ2 3.77Å; Y334-W338 HydrophobicContact CD1-CZ2 3.77Å; Y334-W338 AromaticContact CD1-NE1 3.65Å; Y334-W338 HydrophobicContact CG-CZ2 4.15Å; Y334-W338 WeakPolarHBondContact O-CB 3.36Å; Y334-W338 PolarHBondContact O-N 2.81Å; W338-W340 VanDerWaalsContact C-N 3.31Å; W338-W340 PolarHBondContact O-N 3.31Å; W338-K341 PolarHBondContact O-N 3.35Å; W338-I342 WeakPolarHBondContact O-CB 3.4Å; W338-I342 WeakPolarHBondContact O-CG1 3.37Å; W338-I342 PolarHBondContact O-N 3.26Å; W338-L365 HydrophobicContact CB-CD1 3.98Å; W338-L365 VanDerWaalsContact CD1-CD2 3.41Å; W338-L365 HydrophobicContact CG-CD1 4.04Å; W338-L365 HydrophobicContact CG-CD2 4.43Å; W338-D369 HydrophobicContact CD2-CB 4.14Å; W338-D369 HydrophobicContact CE3-CB 4.35Å; W338-D369 HydrophobicContact CH2-CB 3.99Å; W338-D369 HydrophobicContact CZ2-CB 3.74Å; W338-D369 VanDerWaalsContact CZ2-CG 3.48Å; W338-D369 HydrophobicContact CZ3-CB 4.29Å; W338-T373 HydrophobicContact CB-CG2 4.17Å; W338-T373 VanDerWaalsContact CB-OG1 3.28Å; W338-T373 WeakPolarHBondContact CB-OG1 3.43Å
339	T	96.9	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-46.1	175.4	-60.7	0	0	0	0	110.2	R335 I342 V343 L377 Y405	R335-T339 VanDerWaalsContact O-CB 3.24Å; R335-T339 WeakPolarHBondContact O-CB 3.48Å; R335-T339 PolarHBondContact O-N 3.32Å; R335-T339 VanDerWaalsContact O-N 3.07Å; R335-T339 PolarHBondContact O-OG1 3.43Å; T339-I342 PolarHBondContact O-N 3.38Å; T339-V343 HydrophobicContact CG2-CG2 4.45Å; T339-V343 WeakPolarHBondContact O-CB 3.45Å; T339-V343 VanDerWaalsContact O-CG2 3.26Å; T339-V343 WeakPolarHBondContact O-CG2 3.36Å; T339-V343 PolarHBondContact O-N 3.48Å; T339-L377 HydrophobicContact CG2-CD1 4.02Å; T339-L377 HydrophobicContact CG2-CD2 4.08Å; T339-Y405 HydrophobicContact CG2-CD2 4.3Å
340	W	97.2	Very high	94.7	Very high	11 Å²	11	41.8 Å²	41.8	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-48.3	176	170.9	67.7	0	0	0	112.3	Q307 T336 F337 W338 I342 V343 Q344 Y405 P408 I411	Q307-W340 HydrophobicContact CG-CZ3 4.11Å; T336-W340 WeakPolarHBondContact O-CB 3.47Å; T336-W340 PolarHBondContact O-N 3.33Å; F337-W340 AromaticContact CD2-CE3 3.93Å; F337-W340 HydrophobicContact CD2-CE3 3.93Å; F337-W340 HydrophobicContact CD2-CZ3 4.08Å; F337-W340 HydrophobicContact CE2-CE3 4.1Å; F337-W340 AromaticContact CE2-CZ3 3.88Å; F337-W340 HydrophobicContact CE2-CZ3 3.88Å; F337-W340 WeakPolarHBondContact O-CB 3.46Å; F337-W340 PolarHBondContact O-N 3.31Å; W338-W340 VanDerWaalsContact C-N 3.31Å; W338-W340 PolarHBondContact O-N 3.31Å; W340-I342 PolarHBondContact O-N 3.02Å; W340-V343 PolarHBondContact O-N 2.99Å; W340-Q344 VanDerWaalsContact CZ2-NE2 3.3Å; W340-Q344 WeakPolarHBondContact O-CG 3.39Å; W340-Q344 PolarHBondContact O-N 3.31Å; W340-Y405 HydrophobicContact CB-CE2 4.44Å; W340-Y405 AromaticContact CD1-CE2 3.94Å; W340-P408 HydrophobicContact CD2-CG 3.85Å; W340-P408 VanDerWaalsContact CE2-CD 3.49Å; W340-P408 HydrophobicContact CE3-CG 3.86Å; W340-P408 HydrophobicContact CG-CG 4.37Å; W340-P408 HydrophobicContact CH2-CG 4.26Å; W340-P408 HydrophobicContact CZ2-CG 4.28Å; W340-P408 HydrophobicContact CZ3-CG 4.06Å; W340-I411 HydrophobicContact CH2-CD1 3.89Å; W340-I411 HydrophobicContact CZ2-CD1 3.67Å
341	K	96.7	Very high	94.8	Very high	56 Å²	56	43.4 Å²	43.4	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-44.4	177.6	-78.2	-66.7	-175	-173.6	0	113.2	F337 W338 V343 Q344 V345 T363 L365	F337-K341 HydrophobicContact CD2-CG 4.43Å; F337-K341 HydrophobicContact CE1-CG 4.12Å; F337-K341 HydrophobicContact CE2-CD 4.42Å; F337-K341 HydrophobicContact CE2-CG 3.88Å; F337-K341 HydrophobicContact CZ-CD 4.35Å; F337-K341 HydrophobicContact CZ-CG 3.72Å; F337-K341 PolarHBondContact O-N 3.49Å; W338-K341 PolarHBondContact O-N 3.35Å; K341-V343 VanDerWaalsContact C-N 3.34Å; K341-Q344 PolarHBondContact O-N 2.68Å; K341-V345 PolarHBondContact O-N 3.48Å; K341-T363 HydrophobicContact CB-CG2 4.34Å; K341-L365 HydrophobicContact CB-CD1 4.41Å
342	I	96	Very high	94.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-40.6	177.7	-69.2	176.7	0	0	0	110.4	W338 T339 W340 Q344 V345 L346 I359 T363 L365 V370 T373	W338-I342 WeakPolarHBondContact O-CB 3.4Å; W338-I342 WeakPolarHBondContact O-CG1 3.37Å; W338-I342 PolarHBondContact O-N 3.26Å; T339-I342 PolarHBondContact O-N 3.38Å; W340-I342 PolarHBondContact O-N 3.02Å; I342-Q344 PolarHBondContact O-N 2.89Å; I342-V345 CarbonylContact O-C 3.52Å; I342-V345 PolarHBondContact O-N 2.82Å; I342-L346 HydrophobicContact CG2-CD1 4.06Å; I342-L346 HydrophobicContact CG2-CG 4.15Å; I342-L346 VanDerWaalsContact O-CG 3.32Å; I342-L346 WeakPolarHBondContact O-CG 3.36Å; I342-L346 PolarHBondContact O-N 2.79Å; I342-I359 HydrophobicContact CG1-CG2 4.18Å; I342-T363 HydrophobicContact CG1-CG2 4.35Å; I342-L365 HydrophobicContact CD1-CD1 4.45Å; I342-L365 HydrophobicContact CG1-CD1 4.17Å; I342-V370 HydrophobicContact CD1-CG1 4.28Å; I342-T373 HydrophobicContact CD1-CG2 3.67Å
343	V	95.6	Very high	95	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-39.8	177.4	168.3	0	0	0	0	112.5	T339 W340 K341 V345 L346 Q347 L396 C399 V400 Y405	T339-V343 HydrophobicContact CG2-CG2 4.45Å; T339-V343 WeakPolarHBondContact O-CB 3.45Å; T339-V343 VanDerWaalsContact O-CG2 3.26Å; T339-V343 WeakPolarHBondContact O-CG2 3.36Å; T339-V343 PolarHBondContact O-N 3.48Å; W340-V343 PolarHBondContact O-N 2.99Å; K341-V343 VanDerWaalsContact C-N 3.34Å; V343-V345 VanDerWaalsContact C-N 3.28Å; V343-V345 PolarHBondContact O-N 2.76Å; V343-L346 HydrophobicContact CG2-CD1 4.32Å; V343-L346 WeakPolarHBondContact O-CB 3.26Å; V343-L346 PolarHBondContact O-N 2.55Å; V343-Q347 WeakPolarHBondContact O-CB 3.35Å; V343-Q347 PolarHBondContact O-N 3.3Å; V343-L396 HydrophobicContact CG1-CD1 3.95Å; V343-C399 HydrophobicContact CG2-CB 3.47Å; V343-C399 VanDerWaalsContact CG2-CB 3.47Å; V343-V400 HydrophobicContact CG1-CG1 3.89Å; V343-Y405 HydrophobicContact CB-CD2 3.86Å; V343-Y405 HydrophobicContact CB-CE2 3.57Å; V343-Y405 HydrophobicContact CG1-CD2 4.01Å; V343-Y405 HydrophobicContact CG1-CE2 3.41Å; V343-Y405 VanDerWaalsContact CG1-CE2 3.41Å; V343-Y405 HydrophobicContact CG2-CD2 3.72Å; V343-Y405 HydrophobicContact CG2-CE2 3.96Å
344	Q	95.5	Very high	95	Very high	75 Å²	75	42 Å²	42	35%	0.35	22%	0.218	S	C	.	.	H	α-helix	trans	-57.9	-43.8	173.8	-69.3	-175.8	-53.1	0	0	111.5	W340 K341 I342 Q347 Q348	W340-Q344 VanDerWaalsContact CZ2-NE2 3.3Å; W340-Q344 WeakPolarHBondContact O-CG 3.39Å; W340-Q344 PolarHBondContact O-N 3.31Å; K341-Q344 PolarHBondContact O-N 2.68Å; I342-Q344 PolarHBondContact O-N 2.89Å; Q344-Q347 PolarHBondContact O-N 3.35Å; Q344-Q348 WeakPolarHBondContact O-CB 3.02Å; Q344-Q348 PolarHBondContact O-N 3.37Å
345	V	94.8	Very high	95	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-69.9	-37	177	169	0	0	0	0	111.9	K341 I342 V343 Q347 Q348 Y349 M354 T363 F391	K341-V345 PolarHBondContact O-N 3.48Å; I342-V345 CarbonylContact O-C 3.52Å; I342-V345 PolarHBondContact O-N 2.82Å; V343-V345 VanDerWaalsContact C-N 3.28Å; V343-V345 PolarHBondContact O-N 2.76Å; V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 PolarHBondContact O-N 2.88Å; V345-Q348 PolarHBondContact O-N 3.28Å; V345-Y349 HydrophobicContact CG1-CD2 3.92Å; V345-Y349 HydrophobicContact CG1-CE2 4.27Å; V345-Y349 WeakPolarHBondContact O-CD2 3.37Å; V345-Y349 PolarHBondContact O-N 3.3Å; V345-Y349 VanDerWaalsContact O-N 3.07Å; V345-M354 HydrophobicContact CG1-CE 3.19Å; V345-T363 HydrophobicContact CB-CG2 4.04Å; V345-T363 HydrophobicContact CG2-CG2 3.48Å; V345-T363 VanDerWaalsContact CG2-CG2 3.48Å; V345-F391 HydrophobicContact CG1-CE2 4.02Å; V345-F391 HydrophobicContact CG1-CZ 4.35Å
346	L	92.6	Very high	95	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-43.6	172.6	-73.3	172.1	0	0	0	111.6	I342 V343 L350 F391 L395 L396 C399	I342-L346 HydrophobicContact CG2-CD1 4.06Å; I342-L346 HydrophobicContact CG2-CG 4.15Å; I342-L346 VanDerWaalsContact O-CG 3.32Å; I342-L346 WeakPolarHBondContact O-CG 3.36Å; I342-L346 PolarHBondContact O-N 2.79Å; V343-L346 HydrophobicContact CG2-CD1 4.32Å; V343-L346 WeakPolarHBondContact O-CB 3.26Å; V343-L346 PolarHBondContact O-N 2.55Å; L346-L350 PolarHBondContact O-N 3.07Å; L346-F391 HydrophobicContact CD2-CB 4.22Å; L346-F391 HydrophobicContact CD2-CD1 3.19Å; L346-F391 HydrophobicContact CD2-CD2 3.84Å; L346-F391 HydrophobicContact CD2-CE1 3.2Å; L346-F391 HydrophobicContact CD2-CE2 3.86Å; L346-F391 HydrophobicContact CD2-CG 3.5Å; L346-F391 HydrophobicContact CD2-CZ 3.52Å; L346-F391 HydrophobicContact CG-CE1 4.36Å; L346-F391 HydrophobicContact CG-CE2 4.46Å; L346-F391 HydrophobicContact CG-CZ 4.28Å; L346-L395 HydrophobicContact CD2-CD2 3.98Å; L346-L396 HydrophobicContact CB-CD1 4.35Å; L346-C399 HydrophobicContact CD1-CB 4.4Å
347	Q	94	Very high	95	Very high	124 Å²	124	42.9 Å²	42.9	58%	0.579	22%	0.223	S	C	*	.	H	α-helix	trans	-69.2	-41.4	179.3	-170.9	176.1	13.6	0	0	111.8	V343 Q344 V345 Y349 L396	V343-Q347 WeakPolarHBondContact O-CB 3.35Å; V343-Q347 PolarHBondContact O-N 3.3Å; Q344-Q347 PolarHBondContact O-N 3.35Å; V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 PolarHBondContact O-N 2.88Å; Q347-Y349 PolarHBondContact O-N 3.37Å; Q347-L396 HydrophobicContact CB-CD1 4.22Å; Q347-L396 HydrophobicContact CB-CD2 4.34Å; Q347-L396 HydrophobicContact CG-CD2 4.27Å
348	Q	95.3	Very high	95	Very high	136 Å²	136	43.7 Å²	43.7	64%	0.636	23%	0.231	S	C	*	.	H	α-helix	trans	-66.1	-36.5	-179.9	-175.9	179.2	-0.2	0	0	113.1	Q344 V345	Q344-Q348 WeakPolarHBondContact O-CB 3.02Å; Q344-Q348 PolarHBondContact O-N 3.37Å; V345-Q348 PolarHBondContact O-N 3.28Å
349	Y	94.8	Very high	94.9	Very high	86 Å²	86	43.6 Å²	43.6	34%	0.337	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	32.6	-177.2	-60.6	-82.4	0	0	0	112.2	V345 Q347 G351 C352 M354 F391	V345-Y349 HydrophobicContact CG1-CD2 3.92Å; V345-Y349 HydrophobicContact CG1-CE2 4.27Å; V345-Y349 WeakPolarHBondContact O-CD2 3.37Å; V345-Y349 PolarHBondContact O-N 3.3Å; V345-Y349 VanDerWaalsContact O-N 3.07Å; Q347-Y349 PolarHBondContact O-N 3.37Å; Y349-G351 PolarHBondContact O-N 3.38Å; Y349-C352 VanDerWaalsContact O-CB 3.27Å; Y349-C352 WeakPolarHBondContact O-CB 3.44Å; Y349-C352 PolarHBondContact O-N 3.09Å; Y349-M354 HydrophobicContact CD2-CE 4.31Å; Y349-F391 WeakPolarHBondContact O-CB 3.11Å; Y349-F391 WeakPolarHBondContact O-CD2 3.49Å
350	L	94.3	Very high	94.9	Very high	76 Å²	76	43.6 Å²	43.6	40%	0.398	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	133.6	179	-175	69.4	0	0	0	110.7	L346 C352 E393 L396	L346-L350 PolarHBondContact O-N 3.07Å; L350-C352 VanDerWaalsContact C-N 3.3Å; L350-E393 WeakPolarHBondContact CD2-OE2 3.29Å; L350-L396 HydrophobicContact CD1-CD2 4.48Å
351	G	92.7	Very high	94.9	Very high	40 Å²	40	48.4 Å²	48.4	41%	0.412	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-1	-176.8	0	0	0	0	0	114.3	Y349 R390 F391	Y349-G351 PolarHBondContact O-N 3.38Å; G351-R390 VanDerWaalsContact C-NH1 3.31Å; G351-R390 PolarHBondContact O-NH1 2.73Å; G351-R390 PolarHBondContact O-NH2 3.31Å; G351-F391 WeakPolarHBondContact CA-O 3.43Å; G351-F391 PolarHBondContact N-O 2.87Å
352	C	93.2	Very high	94.8	Very high	61 Å²	61	48.1 Å²	48.1	41%	0.412	25%	0.254	S	S	.	.			trans	-98	164.9	173.2	-60.2	0	0	0	0	112.4	Y349 L350 R390 F391	Y349-C352 VanDerWaalsContact O-CB 3.27Å; Y349-C352 WeakPolarHBondContact O-CB 3.44Å; Y349-C352 PolarHBondContact O-N 3.09Å; L350-C352 VanDerWaalsContact C-N 3.3Å; C352-R390 PolarHBondContact O-NH1 2.92Å; C352-F391 WeakPolarHBondContact O-CB 3.21Å; C352-F391 PolarHBondContact O-N 2.85Å
353	S	92.1	Very high	94.8	Very high	69 Å²	69	48.8 Å²	48.8	48%	0.483	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.2	165.9	-61.5	0	0	0	0	107.5	V389 R390	S353-V389 WeakPolarHBondContact CA-O 3.41Å; S353-R390 WeakPolarHBondContact OG-CD 3.28Å; S353-R390 PolarHBondContact OG-NH1 2.75Å
354	M	94.1	Very high	94.8	Very high	23 Å²	23	49.7 Å²	49.7	11%	0.113	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.1	-178	-172.9	158.9	57.9	0	0	111.6	V345 Y349 G358 I359 V388 V389 F391	V345-M354 HydrophobicContact CG1-CE 3.19Å; Y349-M354 HydrophobicContact CD2-CE 4.31Å; M354-G358 VanDerWaalsContact SD-C 3.52Å; M354-I359 HydrophobicContact CB-CG1 4.4Å; M354-I359 HydrophobicContact CE-CB 4.2Å; M354-I359 HydrophobicContact CE-CG1 3.51Å; M354-I359 HydrophobicContact CG-CG1 4.05Å; M354-I359 HydrophobicContact SD-CG1 4.42Å; M354-V388 WeakPolarHBondContact O-CA 3.18Å; M354-V388 VanDerWaalsContact O-CG2 3.31Å; M354-V388 WeakPolarHBondContact O-CG2 3.49Å; M354-V389 PolarHBondContact N-O 3.15Å; M354-V389 PolarHBondContact O-N 3.35Å; M354-F391 HydrophobicContact CB-CE1 4.42Å; M354-F391 HydrophobicContact CB-CE2 4.37Å; M354-F391 HydrophobicContact CB-CZ 4.13Å; M354-F391 HydrophobicContact CE-CE2 3.37Å; M354-F391 HydrophobicContact CE-CZ 3.38Å
355	T	95	Very high	94.9	Very high	45 Å²	45	46.1 Å²	46.1	28%	0.276	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	157.7	176.1	62.7	0	0	0	0	110.5	R357 G358 I359	T355-R357 PolarHBondContact O-N 3.13Å; T355-G358 WeakPolarHBondContact O-CA 3.33Å; T355-G358 PolarHBondContact O-N 3.14Å; T355-G358 PolarHBondContact OG1-N 3.21Å; T355-G358 VanDerWaalsContact OG1-N 3.12Å; T355-I359 PolarHBondContact O-N 3.03Å
356	I	95	Very high	95	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-38.6	173.7	-61.3	-58.2	0	0	0	111.7	G358 I359 S360 Q367 V370 L371 L374 H381 K387 V389	I356-G358 VanDerWaalsContact C-N 3.33Å; I356-G358 PolarHBondContact O-N 2.95Å; I356-I359 HydrophobicContact CD1-CD1 4.36Å; I356-I359 PolarHBondContact O-N 2.95Å; I356-S360 VanDerWaalsContact O-CB 3.3Å; I356-S360 WeakPolarHBondContact O-CB 3.47Å; I356-S360 PolarHBondContact O-N 3.12Å; I356-Q367 HydrophobicContact CG2-CB 3.96Å; I356-Q367 HydrophobicContact CG2-CG 4.12Å; I356-V370 HydrophobicContact CD1-CG1 4.12Å; I356-V370 HydrophobicContact CG2-CB 4.33Å; I356-V370 HydrophobicContact CG2-CG1 4.1Å; I356-L371 HydrophobicContact CD1-CD2 3.96Å; I356-L371 HydrophobicContact CG1-CD2 3.92Å; I356-L371 HydrophobicContact CG2-CD2 4.33Å; I356-L371 HydrophobicContact CG2-CG 4.01Å; I356-L374 HydrophobicContact CD1-CD1 3.34Å; I356-H381 HydrophobicContact CD1-CB 4.28Å; I356-K387 HydrophobicContact CG1-CB 3.78Å; I356-K387 PolarHBondContact N-O 2.86Å; I356-K387 VanDerWaalsContact N-O 3.15Å; I356-V389 HydrophobicContact CD1-CG2 4.28Å
357	R	95	Very high	95.1	Very high	80 Å²	80	50.1 Å²	50.1	30%	0.302	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-41.4	173.8	-175.8	175.3	65.5	-179.9	-2.7	111.8	T355 S360 R361 D440	T355-R357 PolarHBondContact O-N 3.13Å; R357-S360 PolarHBondContact O-N 2.8Å; R357-R361 WeakPolarHBondContact O-CG 3.21Å; R357-R361 PolarHBondContact O-N 2.78Å; R357-D440 VanDerWaalsContact NH2-CB 3.32Å; R357-D440 PolarHBondContact NH2-O 3Å
358	G	96.1	Very high	95.1	Very high	17 Å²	17	46.9 Å²	46.9	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-47.6	174.2	0	0	0	0	0	112.4	M354 T355 I356 S360 R361 S362	M354-G358 VanDerWaalsContact SD-C 3.52Å; T355-G358 WeakPolarHBondContact O-CA 3.33Å; T355-G358 PolarHBondContact O-N 3.14Å; T355-G358 PolarHBondContact OG1-N 3.21Å; T355-G358 VanDerWaalsContact OG1-N 3.12Å; I356-G358 VanDerWaalsContact C-N 3.33Å; I356-G358 PolarHBondContact O-N 2.95Å; G358-S360 VanDerWaalsContact C-N 3.33Å; G358-S360 PolarHBondContact O-N 3.48Å; G358-R361 PolarHBondContact O-N 2.91Å; G358-S362 PolarHBondContact O-N 3.44Å; G358-S362 PolarHBondContact O-OG 2.93Å
359	I	96.5	Very high	95.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-46	177	-57.8	172.4	0	0	0	110.9	I342 M354 T355 I356 R361 S362 T363 V370 L374 V389 F391	I342-I359 HydrophobicContact CG1-CG2 4.18Å; M354-I359 HydrophobicContact CB-CG1 4.4Å; M354-I359 HydrophobicContact CE-CB 4.2Å; M354-I359 HydrophobicContact CE-CG1 3.51Å; M354-I359 HydrophobicContact CG-CG1 4.05Å; M354-I359 HydrophobicContact SD-CG1 4.42Å; T355-I359 PolarHBondContact O-N 3.03Å; I356-I359 HydrophobicContact CD1-CD1 4.36Å; I356-I359 PolarHBondContact O-N 2.95Å; I359-R361 PolarHBondContact O-N 3.28Å; I359-S362 PolarHBondContact O-N 2.87Å; I359-T363 HydrophobicContact CG2-CG2 4.11Å; I359-T363 WeakPolarHBondContact O-CB 3.38Å; I359-T363 WeakPolarHBondContact O-CG2 3.5Å; I359-T363 PolarHBondContact O-N 3.29Å; I359-T363 PolarHBondContact O-OG1 2.91Å; I359-V370 HydrophobicContact CB-CG1 3.98Å; I359-V370 HydrophobicContact CD1-CG1 4.26Å; I359-V370 HydrophobicContact CG2-CG1 3.68Å; I359-V370 HydrophobicContact CG2-CG2 4Å; I359-L374 HydrophobicContact CD1-CD1 4.47Å; I359-V389 HydrophobicContact CD1-CB 4.23Å; I359-V389 HydrophobicContact CD1-CG2 3.94Å; I359-F391 HydrophobicContact CD1-CE1 4.09Å; I359-F391 HydrophobicContact CD1-CZ 4.05Å; I359-F391 HydrophobicContact CG1-CE1 4.47Å; I359-F391 HydrophobicContact CG1-CZ 3.97Å
360	S	97.1	Very high	95.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-48.6	177.3	170.1	0	0	0	0	111.7	L319 I356 R357 G358 T363 G364 L365	L319-S360 WeakPolarHBondContact CD1-OG 3.45Å; I356-S360 VanDerWaalsContact O-CB 3.3Å; I356-S360 WeakPolarHBondContact O-CB 3.47Å; I356-S360 PolarHBondContact O-N 3.12Å; R357-S360 PolarHBondContact O-N 2.8Å; G358-S360 VanDerWaalsContact C-N 3.33Å; G358-S360 PolarHBondContact O-N 3.48Å; S360-T363 PolarHBondContact O-N 3.11Å; S360-T363 PolarHBondContact O-OG1 2.74Å; S360-G364 WeakPolarHBondContact O-CA 3.49Å; S360-G364 PolarHBondContact O-N 3.06Å; S360-L365 WeakPolarHBondContact CA-O 3.42Å; S360-L365 VanDerWaalsContact CB-O 3.3Å; S360-L365 WeakPolarHBondContact CB-O 3.49Å; S360-L365 PolarHBondContact O-N 3Å; S360-L365 PolarHBondContact OG-O 3.21Å
361	R	95.8	Very high	95.2	Very high	112 Å²	112	33.5 Å²	33.5	42%	0.423	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-43.1	176.2	-72.6	179.8	179.5	166.4	1	112.9	R357 G358 I359 T363 H437	R357-R361 WeakPolarHBondContact O-CG 3.21Å; R357-R361 PolarHBondContact O-N 2.78Å; G358-R361 PolarHBondContact O-N 2.91Å; I359-R361 PolarHBondContact O-N 3.28Å; R361-T363 VanDerWaalsContact C-N 3.33Å; R361-T363 PolarHBondContact O-N 2.75Å; R361-H437 PolarHBondContact NH2-O 2.75Å
362	S	95.6	Very high	95.1	Very high	50 Å²	50	35 Å²	35	35%	0.35	20%	0.196	S	C	.	.	H	α-helix	trans	-72.3	-25	-178.6	-59	0	0	0	0	113.6	G358 I359	G358-S362 PolarHBondContact O-N 3.44Å; G358-S362 PolarHBondContact O-OG 2.93Å; I359-S362 PolarHBondContact O-N 2.87Å
363	T	96.7	Very high	95.2	Very high	15 Å²	15	32.2 Å²	32.2	9%	0.092	18%	0.177	C	C	.	.	H	α-helix	trans	-101	-19.9	-178.5	56.9	0	0	0	0	114	K341 I342 V345 I359 S360 R361 L365	K341-T363 HydrophobicContact CB-CG2 4.34Å; I342-T363 HydrophobicContact CG1-CG2 4.35Å; V345-T363 HydrophobicContact CB-CG2 4.04Å; V345-T363 HydrophobicContact CG2-CG2 3.48Å; V345-T363 VanDerWaalsContact CG2-CG2 3.48Å; I359-T363 HydrophobicContact CG2-CG2 4.11Å; I359-T363 WeakPolarHBondContact O-CB 3.38Å; I359-T363 WeakPolarHBondContact O-CG2 3.5Å; I359-T363 PolarHBondContact O-N 3.29Å; I359-T363 PolarHBondContact O-OG1 2.91Å; S360-T363 PolarHBondContact O-N 3.11Å; S360-T363 PolarHBondContact O-OG1 2.74Å; R361-T363 VanDerWaalsContact C-N 3.33Å; R361-T363 PolarHBondContact O-N 2.75Å; T363-L365 WeakPolarHBondContact OG1-CB 3.33Å; T363-L365 WeakPolarHBondContact OG1-CG 3.41Å; T363-L365 PolarHBondContact OG1-N 2.89Å
364	G	95.6	Very high	95.2	Very high	20 Å²	20	29 Å²	29	21%	0.206	16%	0.155	C	C	.	.			trans	78.2	2.7	-170	0	0	0	0	0	114.3	G320 S360	G320-G364 PolarHBondContact N-O 3.37Å; S360-G364 WeakPolarHBondContact O-CA 3.49Å; S360-G364 PolarHBondContact O-N 3.06Å
365	L	97.3	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-81.7	151.8	-179.4	-54.1	-176.9	0	0	0	111.5	Y310 F337 W338 K341 I342 S360 T363 V370	Y310-L365 HydrophobicContact CD1-CD2 4.01Å; Y310-L365 HydrophobicContact CE1-CD2 3.3Å; Y310-L365 HydrophobicContact CE2-CD2 4.39Å; F337-L365 HydrophobicContact CE1-CD2 4.04Å; W338-L365 HydrophobicContact CB-CD1 3.98Å; W338-L365 VanDerWaalsContact CD1-CD2 3.41Å; W338-L365 HydrophobicContact CG-CD1 4.04Å; W338-L365 HydrophobicContact CG-CD2 4.43Å; K341-L365 HydrophobicContact CB-CD1 4.41Å; I342-L365 HydrophobicContact CD1-CD1 4.45Å; I342-L365 HydrophobicContact CG1-CD1 4.17Å; S360-L365 WeakPolarHBondContact CA-O 3.42Å; S360-L365 VanDerWaalsContact CB-O 3.3Å; S360-L365 WeakPolarHBondContact CB-O 3.49Å; S360-L365 PolarHBondContact O-N 3Å; S360-L365 PolarHBondContact OG-O 3.21Å; T363-L365 WeakPolarHBondContact OG1-CB 3.33Å; T363-L365 WeakPolarHBondContact OG1-CG 3.41Å; T363-L365 PolarHBondContact OG1-N 2.89Å; L365-V370 HydrophobicContact CB-CG2 3.89Å; L365-V370 HydrophobicContact CD1-CG2 4.34Å
366	L	96.2	Very high	94.8	Very high	19 Å²	19	34.3 Å²	34.3	10%	0.099	17%	0.174	C	C	.	.			trans	-63.2	148.3	167.4	-61.4	175.1	0	0	0	110.8	D284 L319 S368 D369 V370	D284-L366 HydrophobicContact CB-CD1 4.37Å; D284-L366 HydrophobicContact CB-CD2 3.78Å; L319-L366 HydrophobicContact CB-CD2 3.84Å; L366-S368 WeakPolarHBondContact CB-OG 3.43Å; L366-S368 PolarHBondContact O-N 2.8Å; L366-D369 HydrophobicContact CB-CB 4.46Å; L366-D369 PolarHBondContact O-N 3.19Å; L366-V370 WeakPolarHBondContact O-CG2 3.45Å; L366-V370 PolarHBondContact O-N 3.08Å
367	Q	94.7	Very high	94.5	Very high	74 Å²	74	34.4 Å²	34.4	35%	0.346	17%	0.174	S	C	.	.	H	α-helix	trans	-59.9	-32	176.7	-69.1	-172.6	70.2	0	0	112.2	I356 L371	I356-Q367 HydrophobicContact CG2-CB 3.96Å; I356-Q367 HydrophobicContact CG2-CG 4.12Å; Q367-L371 WeakPolarHBondContact O-CB 3.27Å; Q367-L371 VanDerWaalsContact O-CG 3.24Å; Q367-L371 WeakPolarHBondContact O-CG 3.32Å; Q367-L371 PolarHBondContact O-N 2.91Å
368	S	93.4	Very high	94.2	Very high	56 Å²	56	41.2 Å²	41.2	39%	0.392	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-45.4	172.4	49	0	0	0	0	111.9	L366 L371 E372	L366-S368 WeakPolarHBondContact CB-OG 3.43Å; L366-S368 PolarHBondContact O-N 2.8Å; S368-L371 PolarHBondContact O-N 2.74Å; S368-E372 WeakPolarHBondContact O-CB 3.49Å; S368-E372 PolarHBondContact O-N 3.11Å
369	D	95.6	Very high	93.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.6	-36.9	-176	-56	-8	0	0	0	110.6	R324 W338 L366 E372 T373	R324-D369 IonicContact CZ-OD1 3.07Å; R324-D369 IonicContact NH1-OD1 3.53Å; R324-D369 PolarHBondContact NH1-OD1 3.1Å; R324-D369 IonicContact NH2-OD1 3.48Å; R324-D369 PolarHBondContact NH2-OD1 3.14Å; W338-D369 HydrophobicContact CD2-CB 4.14Å; W338-D369 HydrophobicContact CE3-CB 4.35Å; W338-D369 HydrophobicContact CH2-CB 3.99Å; W338-D369 HydrophobicContact CZ2-CB 3.74Å; W338-D369 VanDerWaalsContact CZ2-CG 3.48Å; W338-D369 HydrophobicContact CZ3-CB 4.29Å; L366-D369 HydrophobicContact CB-CB 4.46Å; L366-D369 PolarHBondContact O-N 3.19Å; D369-E372 PolarHBondContact O-N 3.35Å; D369-T373 WeakPolarHBondContact O-CB 3.31Å; D369-T373 PolarHBondContact O-N 3.01Å; D369-T373 PolarHBondContact O-OG1 2.84Å
370	V	96.5	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-50.8	169.7	175.2	0	0	0	0	110.1	I342 I356 I359 L365 L366 E372 T373 L374	I342-V370 HydrophobicContact CD1-CG1 4.28Å; I356-V370 HydrophobicContact CD1-CG1 4.12Å; I356-V370 HydrophobicContact CG2-CB 4.33Å; I356-V370 HydrophobicContact CG2-CG1 4.1Å; I359-V370 HydrophobicContact CB-CG1 3.98Å; I359-V370 HydrophobicContact CD1-CG1 4.26Å; I359-V370 HydrophobicContact CG2-CG1 3.68Å; I359-V370 HydrophobicContact CG2-CG2 4Å; L365-V370 HydrophobicContact CB-CG2 3.89Å; L365-V370 HydrophobicContact CD1-CG2 4.34Å; L366-V370 WeakPolarHBondContact O-CG2 3.45Å; L366-V370 PolarHBondContact O-N 3.08Å; V370-E372 VanDerWaalsContact C-N 3.34Å; V370-E372 PolarHBondContact O-N 3.13Å; V370-T373 PolarHBondContact O-N 2.76Å; V370-L374 HydrophobicContact CG1-CD1 3.82Å; V370-L374 HydrophobicContact CG1-CG 4.33Å; V370-L374 WeakPolarHBondContact O-CB 3.48Å; V370-L374 VanDerWaalsContact O-CG 3.22Å; V370-L374 WeakPolarHBondContact O-CG 3.42Å; V370-L374 PolarHBondContact O-N 2.6Å
371	L	94.3	Very high	92.9	Very high	18 Å²	18	46.9 Å²	46.9	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-40.9	179.2	-75.1	168.4	0	0	0	112.2	I356 Q367 S368 R375	I356-L371 HydrophobicContact CD1-CD2 3.96Å; I356-L371 HydrophobicContact CG1-CD2 3.92Å; I356-L371 HydrophobicContact CG2-CD2 4.33Å; I356-L371 HydrophobicContact CG2-CG 4.01Å; Q367-L371 WeakPolarHBondContact O-CB 3.27Å; Q367-L371 VanDerWaalsContact O-CG 3.24Å; Q367-L371 WeakPolarHBondContact O-CG 3.32Å; Q367-L371 PolarHBondContact O-N 2.91Å; S368-L371 PolarHBondContact O-N 2.74Å; L371-R375 WeakPolarHBondContact O-CB 3.42Å; L371-R375 WeakPolarHBondContact O-CG 3.32Å; L371-R375 PolarHBondContact O-N 3.24Å
372	E	92.3	Very high	92.3	Very high	71 Å²	71	47.3 Å²	47.3	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-52.4	174.6	-172.2	179.2	153.7	0	0	110.4	R324 S368 D369 V370 L374 R375 T376	R324-E372 IonicContact NH2-OE2 3.83Å; R324-E372 PolarHBondContact NH2-OE2 2.85Å; R324-E372 VanDerWaalsContact NH2-OE2 3.14Å; S368-E372 WeakPolarHBondContact O-CB 3.49Å; S368-E372 PolarHBondContact O-N 3.11Å; D369-E372 PolarHBondContact O-N 3.35Å; V370-E372 VanDerWaalsContact C-N 3.34Å; V370-E372 PolarHBondContact O-N 3.13Å; E372-L374 PolarHBondContact O-N 2.87Å; E372-R375 WeakPolarHBondContact O-CB 3.34Å; E372-R375 PolarHBondContact O-N 3.17Å; E372-R375 VanDerWaalsContact O-N 3.14Å; E372-T376 PolarHBondContact O-N 2.72Å; E372-T376 PolarHBondContact O-OG1 3.15Å; E372-T376 VanDerWaalsContact O-OG1 3.06Å
373	T	94.2	Very high	91.4	Very high	2 Å²	2	51 Å²	51	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-44.4	179.9	-53.9	0	0	0	0	112	W338 I342 D369 V370 R375 T376 L377	W338-T373 HydrophobicContact CB-CG2 4.17Å; W338-T373 VanDerWaalsContact CB-OG1 3.28Å; W338-T373 WeakPolarHBondContact CB-OG1 3.43Å; I342-T373 HydrophobicContact CD1-CG2 3.67Å; D369-T373 WeakPolarHBondContact O-CB 3.31Å; D369-T373 PolarHBondContact O-N 3.01Å; D369-T373 PolarHBondContact O-OG1 2.84Å; V370-T373 PolarHBondContact O-N 2.76Å; T373-R375 VanDerWaalsContact C-N 3.34Å; T373-R375 PolarHBondContact O-N 3.15Å; T373-T376 PolarHBondContact O-N 3.4Å; T373-L377 HydrophobicContact CG2-CD1 3.92Å; T373-L377 WeakPolarHBondContact O-CB 3.42Å; T373-L377 WeakPolarHBondContact O-CG 3.42Å; T373-L377 PolarHBondContact O-N 2.82Å
374	L	93.2	Very high	90.5	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-38.7	176.9	-67.9	172	0	0	0	112	I356 I359 V370 E372 L377 R378 I379 H381 V389	I356-L374 HydrophobicContact CD1-CD1 3.34Å; I359-L374 HydrophobicContact CD1-CD1 4.47Å; V370-L374 HydrophobicContact CG1-CD1 3.82Å; V370-L374 HydrophobicContact CG1-CG 4.33Å; V370-L374 WeakPolarHBondContact O-CB 3.48Å; V370-L374 VanDerWaalsContact O-CG 3.22Å; V370-L374 WeakPolarHBondContact O-CG 3.42Å; V370-L374 PolarHBondContact O-N 2.6Å; E372-L374 PolarHBondContact O-N 2.87Å; L374-L377 PolarHBondContact O-N 3.07Å; L374-R378 PolarHBondContact O-N 2.69Å; L374-I379 HydrophobicContact CB-CB 4.49Å; L374-I379 HydrophobicContact CD2-CB 3.97Å; L374-I379 HydrophobicContact CD2-CD1 3.91Å; L374-I379 HydrophobicContact CD2-CG2 3.96Å; L374-I379 PolarHBondContact O-N 3.39Å; L374-H381 HydrophobicContact CD1-CB 3.94Å; L374-V389 HydrophobicContact CD1-CG2 3.75Å; L374-V389 HydrophobicContact CD2-CG2 4.24Å
375	R	91.6	Very high	89.8	Confident	135 Å²	135	61.9 Å²	61.9	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-43.6	175.3	-73.7	171.6	-168.1	132.4	-2.6	111.6	L371 E372 T373 L377 R378	L371-R375 WeakPolarHBondContact O-CB 3.42Å; L371-R375 WeakPolarHBondContact O-CG 3.32Å; L371-R375 PolarHBondContact O-N 3.24Å; E372-R375 WeakPolarHBondContact O-CB 3.34Å; E372-R375 PolarHBondContact O-N 3.17Å; E372-R375 VanDerWaalsContact O-N 3.14Å; T373-R375 VanDerWaalsContact C-N 3.34Å; T373-R375 PolarHBondContact O-N 3.15Å; R375-L377 VanDerWaalsContact C-N 3.31Å; R375-L377 PolarHBondContact O-N 3.28Å; R375-R378 WeakPolarHBondContact O-CA 3.5Å; R375-R378 PolarHBondContact O-N 2.8Å
376	T	88.3	Confident	89.3	Confident	46 Å²	46	68 Å²	68	28%	0.282	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-41.7	176.3	-61.4	0	0	0	0	111.9	R335 E372 T373 R378 Y404	R335-T376 HydrophobicContact CG-CG2 4.25Å; E372-T376 PolarHBondContact O-N 2.72Å; E372-T376 PolarHBondContact O-OG1 3.15Å; E372-T376 VanDerWaalsContact O-OG1 3.06Å; T373-T376 PolarHBondContact O-N 3.4Å; T376-R378 PolarHBondContact O-N 2.84Å; T376-Y404 HydrophobicContact CG2-CD2 3.99Å; T376-Y404 HydrophobicContact CG2-CE1 4.46Å; T376-Y404 HydrophobicContact CG2-CE2 3.69Å; T376-Y404 HydrophobicContact CG2-CG 4.47Å
377	L	88.7	Confident	88.9	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.021	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.8	175	-65.5	167.9	0	0	0	112.9	T339 T373 L374 R375 I379 F398 S402 Y404	T339-L377 HydrophobicContact CG2-CD1 4.02Å; T339-L377 HydrophobicContact CG2-CD2 4.08Å; T373-L377 HydrophobicContact CG2-CD1 3.92Å; T373-L377 WeakPolarHBondContact O-CB 3.42Å; T373-L377 WeakPolarHBondContact O-CG 3.42Å; T373-L377 PolarHBondContact O-N 2.82Å; L374-L377 PolarHBondContact O-N 3.07Å; R375-L377 VanDerWaalsContact C-N 3.31Å; R375-L377 PolarHBondContact O-N 3.28Å; L377-I379 HydrophobicContact CB-CD1 3.52Å; L377-I379 HydrophobicContact CB-CG1 3.63Å; L377-I379 HydrophobicContact CD1-CD1 3.65Å; L377-I379 HydrophobicContact CG-CD1 4.22Å; L377-I379 PolarHBondContact O-N 2.77Å; L377-F398 WeakPolarHBondContact O-CE1 3.49Å; L377-F398 WeakPolarHBondContact O-CZ 3.24Å; L377-S402 WeakPolarHBondContact CD2-OG 3.49Å; L377-Y404 HydrophobicContact CD2-CD2 3.89Å
378	R	88.6	Confident	88.7	Confident	223 Å²	223	69.5 Å²	69.5	84%	0.842	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	34.1	-174.8	-55.2	-177.1	179.4	175.1	0.3	113.2	L374 R375 T376	L374-R378 PolarHBondContact O-N 2.69Å; R375-R378 WeakPolarHBondContact O-CA 3.5Å; R375-R378 PolarHBondContact O-N 2.8Å; T376-R378 PolarHBondContact O-N 2.84Å
379	I	88.8	Confident	88.6	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	33%	0.325	C	S	.	.			trans	-82	125.6	-179.9	-62.7	171.1	0	0	0	109.3	L374 L377 H381 V389 L395 F398 C399	L374-I379 HydrophobicContact CB-CB 4.49Å; L374-I379 HydrophobicContact CD2-CB 3.97Å; L374-I379 HydrophobicContact CD2-CD1 3.91Å; L374-I379 HydrophobicContact CD2-CG2 3.96Å; L374-I379 PolarHBondContact O-N 3.39Å; L377-I379 HydrophobicContact CB-CD1 3.52Å; L377-I379 HydrophobicContact CB-CG1 3.63Å; L377-I379 HydrophobicContact CD1-CD1 3.65Å; L377-I379 HydrophobicContact CG-CD1 4.22Å; L377-I379 PolarHBondContact O-N 2.77Å; I379-H381 PolarHBondContact O-N 3.09Å; I379-H381 PolarHBondContact O-ND1 3.4Å; I379-V389 HydrophobicContact CG2-CG1 3.96Å; I379-L395 HydrophobicContact CB-CD1 4.38Å; I379-L395 HydrophobicContact CD1-CD1 3.87Å; I379-L395 HydrophobicContact CG1-CD1 3.74Å; I379-L395 HydrophobicContact CG2-CD1 3.81Å; I379-L395 HydrophobicContact CG2-CD2 4.04Å; I379-F398 HydrophobicContact CG1-CE1 4.46Å; I379-C399 VanDerWaalsContact CD1-SG 3.59Å
380	P	85.2	Confident	88.4	Confident	108 Å²	108	73.2 Å²	73.2	70%	0.701	35%	0.348	S	S	*	.			trans	-60.9	124.9	171.1	-21.3	33.2	0	0	0	110.4
381	H	87.5	Confident	88.2	Confident	24 Å²	24	73.3 Å²	73.3	11%	0.111	35%	0.349	C	S	.	.			trans	-131.5	25.3	-176.9	58.4	-87	0	0	0	112.1	I356 L374 I379 K387 V388 V389	I356-H381 HydrophobicContact CD1-CB 4.28Å; L374-H381 HydrophobicContact CD1-CB 3.94Å; I379-H381 PolarHBondContact O-N 3.09Å; I379-H381 PolarHBondContact O-ND1 3.4Å; H381-K387 CarbonylContact O-C 3.43Å; H381-K387 WeakPolarHBondContact O-CA 3.39Å; H381-V388 CarbonylContact C-O 3.51Å; H381-V388 VanDerWaalsContact CA-O 3.29Å; H381-V388 WeakPolarHBondContact CA-O 3.43Å; H381-V388 PolarHBondContact O-N 2.82Å; H381-V389 HydrophobicContact CB-CG2 3.63Å
382	F	84.2	Confident	88.2	Confident	122 Å²	122	75 Å²	75	54%	0.535	36%	0.36	S	S	.	.			trans	-130.7	124.9	174.2	-82.6	-88.9	0	0	0	109.5	Q386 K387	F382-Q386 CarbonylContact C-O 3.52Å; F382-Q386 VanDerWaalsContact CA-O 3.29Å; F382-Q386 WeakPolarHBondContact CA-O 3.16Å; F382-K387 HydrophobicContact CD1-CG 4.09Å; F382-K387 HydrophobicContact CE1-CD 4.39Å; F382-K387 HydrophobicContact CE1-CG 3.46Å; F382-K387 VanDerWaalsContact CE1-CG 3.46Å; F382-K387 HydrophobicContact CE2-CG 4.19Å; F382-K387 HydrophobicContact CZ-CD 4.12Å; F382-K387 HydrophobicContact CZ-CG 3.53Å
383	F	77.3	Confident	88.3	Confident	127 Å²	127	77 Å²	77	56%	0.557	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-142	126.5	175.3	-176.3	-105.7	0	0	0	108.8	G385 Q386 V388	F383-G385 VanDerWaalsContact C-N 3.27Å; F383-G385 PolarHBondContact O-N 3.16Å; F383-Q386 PolarHBondContact N-O 2.8Å; F383-Q386 PolarHBondContact O-N 2.86Å; F383-V388 HydrophobicContact CB-CG1 3.46Å; F383-V388 VanDerWaalsContact CB-CG1 3.46Å; F383-V388 HydrophobicContact CD1-CG1 4.48Å; F383-V388 HydrophobicContact CG-CG1 4.44Å
384	K	78.1	Confident	88.3	Confident	187 Å²	187	87.5 Å²	87.5	81%	0.813	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	45.1	-179.2	-61.6	-175	176.7	-174.8	0	113.8	Q386	K384-Q386 PolarHBondContact O-N 2.92Å
385	G	81	Confident	88.2	Confident	77 Å²	77	88.5 Å²	88.5	79%	0.794	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-5.6	179.6	0	0	0	0	0	115.4	F383	F383-G385 VanDerWaalsContact C-N 3.27Å; F383-G385 PolarHBondContact O-N 3.16Å
386	Q	85.1	Confident	88.3	Confident	128 Å²	128	82.9 Å²	82.9	60%	0.598	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-102.4	144.9	-179.9	-63.8	-175.7	-21.3	0	0	112	F382 F383 K384 V388	F382-Q386 CarbonylContact C-O 3.52Å; F382-Q386 VanDerWaalsContact CA-O 3.29Å; F382-Q386 WeakPolarHBondContact CA-O 3.16Å; F383-Q386 PolarHBondContact N-O 2.8Å; F383-Q386 PolarHBondContact O-N 2.86Å; K384-Q386 PolarHBondContact O-N 2.92Å; Q386-V388 HydrophobicContact CB-CG1 4.41Å; Q386-V388 PolarHBondContact O-N 3.18Å; Q386-V388 VanDerWaalsContact O-N 3.08Å
387	K	88.4	Confident	88.6	Confident	109 Å²	109	84 Å²	84	47%	0.474	40%	0.401	S	S	.	.			trans	-78.4	84.6	173	-69.6	178.6	-177.8	171.4	0	110.3	I356 H381 F382	I356-K387 HydrophobicContact CG1-CB 3.78Å; I356-K387 PolarHBondContact N-O 2.86Å; I356-K387 VanDerWaalsContact N-O 3.15Å; H381-K387 CarbonylContact O-C 3.43Å; H381-K387 WeakPolarHBondContact O-CA 3.39Å; F382-K387 HydrophobicContact CD1-CG 4.09Å; F382-K387 HydrophobicContact CE1-CD 4.39Å; F382-K387 HydrophobicContact CE1-CG 3.46Å; F382-K387 VanDerWaalsContact CE1-CG 3.46Å; F382-K387 HydrophobicContact CE2-CG 4.19Å; F382-K387 HydrophobicContact CZ-CD 4.12Å; F382-K387 HydrophobicContact CZ-CG 3.53Å
388	V	91	Very high	88.9	Confident	16 Å²	16	88.7 Å²	88.7	10%	0.097	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.4	-174.3	66.2	0	0	0	0	110.3	M354 H381 F383 Q386	M354-V388 WeakPolarHBondContact O-CA 3.18Å; M354-V388 VanDerWaalsContact O-CG2 3.31Å; M354-V388 WeakPolarHBondContact O-CG2 3.49Å; H381-V388 CarbonylContact C-O 3.51Å; H381-V388 VanDerWaalsContact CA-O 3.29Å; H381-V388 WeakPolarHBondContact CA-O 3.43Å; H381-V388 PolarHBondContact O-N 2.82Å; F383-V388 HydrophobicContact CB-CG1 3.46Å; F383-V388 VanDerWaalsContact CB-CG1 3.46Å; F383-V388 HydrophobicContact CD1-CG1 4.48Å; F383-V388 HydrophobicContact CG-CG1 4.44Å; Q386-V388 HydrophobicContact CB-CG1 4.41Å; Q386-V388 PolarHBondContact O-N 3.18Å; Q386-V388 VanDerWaalsContact O-N 3.08Å
389	V	91.5	Very high	89.1	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.7	176.9	-175.6	0	0	0	0	108.7	S353 M354 I356 I359 L374 I379 H381 F391 L395	S353-V389 WeakPolarHBondContact CA-O 3.41Å; M354-V389 PolarHBondContact N-O 3.15Å; M354-V389 PolarHBondContact O-N 3.35Å; I356-V389 HydrophobicContact CD1-CG2 4.28Å; I359-V389 HydrophobicContact CD1-CB 4.23Å; I359-V389 HydrophobicContact CD1-CG2 3.94Å; L374-V389 HydrophobicContact CD1-CG2 3.75Å; L374-V389 HydrophobicContact CD2-CG2 4.24Å; I379-V389 HydrophobicContact CG2-CG1 3.96Å; H381-V389 HydrophobicContact CB-CG2 3.63Å; V389-F391 HydrophobicContact CB-CD1 4.13Å; V389-F391 HydrophobicContact CB-CE1 3.76Å; V389-F391 HydrophobicContact CG1-CD1 3.82Å; V389-F391 HydrophobicContact CG1-CE1 3.72Å; V389-L395 HydrophobicContact CG1-CD2 3.8Å
390	R	90.8	Very high	89.3	Confident	132 Å²	132	80.8 Å²	80.8	50%	0.498	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.7	173.7	-178.2	75.2	-176	133.6	9.2	109.2	G351 C352 S353 T392 L395	G351-R390 VanDerWaalsContact C-NH1 3.31Å; G351-R390 PolarHBondContact O-NH1 2.73Å; G351-R390 PolarHBondContact O-NH2 3.31Å; C352-R390 PolarHBondContact O-NH1 2.92Å; S353-R390 WeakPolarHBondContact OG-CD 3.28Å; S353-R390 PolarHBondContact OG-NH1 2.75Å; R390-T392 HydrophobicContact CG-CG2 3.7Å; R390-T392 PolarHBondContact O-N 3.46Å; R390-L395 WeakPolarHBondContact O-CD2 3.47Å
391	F	92.1	Very high	89.6	Confident	2 Å²	2	80.6 Å²	80.6	1%	0.009	40%	0.395	C	S	.	.			trans	-85.9	104.2	-176.3	-66.7	4.9	0	0	0	108.9	V345 L346 Y349 G351 C352 M354 I359 V389	V345-F391 HydrophobicContact CG1-CE2 4.02Å; V345-F391 HydrophobicContact CG1-CZ 4.35Å; L346-F391 HydrophobicContact CD2-CB 4.22Å; L346-F391 HydrophobicContact CD2-CD1 3.19Å; L346-F391 HydrophobicContact CD2-CD2 3.84Å; L346-F391 HydrophobicContact CD2-CE1 3.2Å; L346-F391 HydrophobicContact CD2-CE2 3.86Å; L346-F391 HydrophobicContact CD2-CG 3.5Å; L346-F391 HydrophobicContact CD2-CZ 3.52Å; L346-F391 HydrophobicContact CG-CE1 4.36Å; L346-F391 HydrophobicContact CG-CE2 4.46Å; L346-F391 HydrophobicContact CG-CZ 4.28Å; Y349-F391 WeakPolarHBondContact O-CB 3.11Å; Y349-F391 WeakPolarHBondContact O-CD2 3.49Å; G351-F391 WeakPolarHBondContact CA-O 3.43Å; G351-F391 PolarHBondContact N-O 2.87Å; C352-F391 WeakPolarHBondContact O-CB 3.21Å; C352-F391 PolarHBondContact O-N 2.85Å; M354-F391 HydrophobicContact CB-CE1 4.42Å; M354-F391 HydrophobicContact CB-CE2 4.37Å; M354-F391 HydrophobicContact CB-CZ 4.13Å; M354-F391 HydrophobicContact CE-CE2 3.37Å; M354-F391 HydrophobicContact CE-CZ 3.38Å; I359-F391 HydrophobicContact CD1-CE1 4.09Å; I359-F391 HydrophobicContact CD1-CZ 4.05Å; I359-F391 HydrophobicContact CG1-CE1 4.47Å; I359-F391 HydrophobicContact CG1-CZ 3.97Å; V389-F391 HydrophobicContact CB-CD1 4.13Å; V389-F391 HydrophobicContact CB-CE1 3.76Å; V389-F391 HydrophobicContact CG1-CD1 3.82Å; V389-F391 HydrophobicContact CG1-CE1 3.72Å
392	T	93.5	Very high	89.7	Confident	55 Å²	55	80.5 Å²	80.5	34%	0.337	40%	0.397	S	S	.	.			trans	-120.1	156.9	-177.3	63.3	0	0	0	0	110.4	R390 R394 L395 L396	R390-T392 HydrophobicContact CG-CG2 3.7Å; R390-T392 PolarHBondContact O-N 3.46Å; T392-R394 PolarHBondContact O-N 3.15Å; T392-L395 WeakPolarHBondContact O-CB 3.46Å; T392-L395 PolarHBondContact O-N 3.34Å; T392-L395 WeakPolarHBondContact OG1-CB 3.22Å; T392-L395 PolarHBondContact OG1-N 2.78Å; T392-L396 PolarHBondContact O-N 2.8Å
393	E	94.7	Very high	90	Very high	113 Å²	113	82.8 Å²	82.8	53%	0.528	41%	0.407	S	S	.	.	H	α-helix	trans	-56.8	-41.9	175.8	-166.6	60.7	-153.5	0	0	111.2	L350 L395 L396 T397	L350-E393 WeakPolarHBondContact CD2-OE2 3.29Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 3.05Å; E393-L396 PolarHBondContact O-N 2.93Å; E393-T397 PolarHBondContact O-N 2.7Å; E393-T397 PolarHBondContact O-OG1 2.72Å; E393-T397 VanDerWaalsContact O-OG1 3.08Å
394	R	94.4	Very high	90.6	Very high	221 Å²	221	78.2 Å²	78.2	83%	0.834	39%	0.386	S	S	*	.	H	α-helix	trans	-59	-41.1	176	-174.8	177.3	179.3	173.6	1.4	112.4	T392 F398	T392-R394 PolarHBondContact O-N 3.15Å; R394-F398 WeakPolarHBondContact O-CB 3.17Å; R394-F398 PolarHBondContact O-N 3.38Å
395	L	92.3	Very high	91.4	Very high	23 Å²	23	71.8 Å²	71.8	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-68.5	-42.5	177.2	178.5	61.1	0	0	0	111.3	L346 I379 V389 R390 T392 E393 F398 C399	L346-L395 HydrophobicContact CD2-CD2 3.98Å; I379-L395 HydrophobicContact CB-CD1 4.38Å; I379-L395 HydrophobicContact CD1-CD1 3.87Å; I379-L395 HydrophobicContact CG1-CD1 3.74Å; I379-L395 HydrophobicContact CG2-CD1 3.81Å; I379-L395 HydrophobicContact CG2-CD2 4.04Å; V389-L395 HydrophobicContact CG1-CD2 3.8Å; R390-L395 WeakPolarHBondContact O-CD2 3.47Å; T392-L395 WeakPolarHBondContact O-CB 3.46Å; T392-L395 PolarHBondContact O-N 3.34Å; T392-L395 WeakPolarHBondContact OG1-CB 3.22Å; T392-L395 PolarHBondContact OG1-N 2.78Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 3.05Å; L395-F398 HydrophobicContact CD1-CD1 4.42Å; L395-F398 PolarHBondContact O-N 3.04Å; L395-C399 PolarHBondContact O-N 3.38Å; L395-C399 PolarHBondContact O-SG 2.83Å
396	L	93.8	Very high	92	Very high	17 Å²	17	76.8 Å²	76.8	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-51.4	176.6	179.8	60.3	0	0	0	110.6	V343 L346 Q347 L350 T392 E393 F398 C399 V400	V343-L396 HydrophobicContact CG1-CD1 3.95Å; L346-L396 HydrophobicContact CB-CD1 4.35Å; Q347-L396 HydrophobicContact CB-CD1 4.22Å; Q347-L396 HydrophobicContact CB-CD2 4.34Å; Q347-L396 HydrophobicContact CG-CD2 4.27Å; L350-L396 HydrophobicContact CD1-CD2 4.48Å; T392-L396 PolarHBondContact O-N 2.8Å; E393-L396 PolarHBondContact O-N 2.93Å; L396-F398 VanDerWaalsContact C-N 3.32Å; L396-F398 PolarHBondContact O-N 3.09Å; L396-C399 PolarHBondContact O-N 3.32Å; L396-V400 HydrophobicContact CD1-CG1 4.17Å; L396-V400 WeakPolarHBondContact O-CG2 3.22Å; L396-V400 PolarHBondContact O-N 3.47Å
397	T	94.3	Very high	92.5	Very high	70 Å²	70	74.6 Å²	74.6	43%	0.429	35%	0.347	S	S	.	.	H	α-helix	trans	-56.8	-42.8	176.2	-58.4	0	0	0	0	112.3	E393 C399 V400 T401	E393-T397 PolarHBondContact O-N 2.7Å; E393-T397 PolarHBondContact O-OG1 2.72Å; E393-T397 VanDerWaalsContact O-OG1 3.08Å; T397-C399 PolarHBondContact O-N 3.15Å; T397-V400 WeakPolarHBondContact O-CG2 3.48Å; T397-T401 WeakPolarHBondContact O-CG2 3.14Å; T397-T401 PolarHBondContact O-N 3.26Å; T397-T401 PolarHBondContact O-OG1 3.05Å
398	F	93.5	Very high	92.9	Very high	102 Å²	102	70.1 Å²	70.1	45%	0.447	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-41.1	174.3	171.6	-94.4	0	0	0	112.5	L377 I379 R394 L395 L396 T401 S402	L377-F398 WeakPolarHBondContact O-CE1 3.49Å; L377-F398 WeakPolarHBondContact O-CZ 3.24Å; I379-F398 HydrophobicContact CG1-CE1 4.46Å; R394-F398 WeakPolarHBondContact O-CB 3.17Å; R394-F398 PolarHBondContact O-N 3.38Å; L395-F398 HydrophobicContact CD1-CD1 4.42Å; L395-F398 PolarHBondContact O-N 3.04Å; L396-F398 VanDerWaalsContact C-N 3.32Å; L396-F398 PolarHBondContact O-N 3.09Å; F398-T401 PolarHBondContact O-OG1 3.31Å; F398-S402 PolarHBondContact O-N 3.33Å
399	C	92.9	Very high	93.1	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-69.5	-44.2	-179.8	-64.3	0	0	0	0	111.7	V343 L346 I379 L395 L396 T397 T401 S402 Y405	V343-C399 HydrophobicContact CG2-CB 3.47Å; V343-C399 VanDerWaalsContact CG2-CB 3.47Å; L346-C399 HydrophobicContact CD1-CB 4.4Å; I379-C399 VanDerWaalsContact CD1-SG 3.59Å; L395-C399 PolarHBondContact O-N 3.38Å; L395-C399 PolarHBondContact O-SG 2.83Å; L396-C399 PolarHBondContact O-N 3.32Å; T397-C399 PolarHBondContact O-N 3.15Å; C399-T401 PolarHBondContact O-N 3.21Å; C399-S402 VanDerWaalsContact O-CB 3.22Å; C399-S402 WeakPolarHBondContact O-CB 3.5Å; C399-S402 PolarHBondContact O-N 2.93Å; C399-S402 VanDerWaalsContact O-N 3.14Å; C399-Y405 WeakPolarHBondContact O-CB 3.44Å
400	V	93.1	Very high	93.4	Very high	62 Å²	62	75.5 Å²	75.5	38%	0.376	36%	0.364	S	S	.	.	H	α-helix	trans	-69.3	-21.6	-178.6	-59.5	0	0	0	0	113.3	V343 L396 T397 Y405	V343-V400 HydrophobicContact CG1-CG1 3.89Å; L396-V400 HydrophobicContact CD1-CG1 4.17Å; L396-V400 WeakPolarHBondContact O-CG2 3.22Å; L396-V400 PolarHBondContact O-N 3.47Å; T397-V400 WeakPolarHBondContact O-CG2 3.48Å; V400-Y405 HydrophobicContact CB-CD1 4.03Å; V400-Y405 HydrophobicContact CB-CE1 4.02Å; V400-Y405 HydrophobicContact CG1-CD1 4.3Å; V400-Y405 HydrophobicContact CG1-CE1 3.95Å; V400-Y405 WeakPolarHBondContact O-CD1 3.47Å
401	T	91.9	Very high	93.7	Very high	105 Å²	105	72.5 Å²	72.5	64%	0.644	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.1	174.7	53.7	0	0	0	0	113.4	T397 F398 C399	T397-T401 WeakPolarHBondContact O-CG2 3.14Å; T397-T401 PolarHBondContact O-N 3.26Å; T397-T401 PolarHBondContact O-OG1 3.05Å; F398-T401 PolarHBondContact O-OG1 3.31Å; C399-T401 PolarHBondContact O-N 3.21Å
402	S	90.5	Very high	94	Very high	21 Å²	21	73.2 Å²	73.2	15%	0.147	36%	0.361	C	S	.	.	S	Bend	trans	-69.8	141.8	179.1	178.3	0	0	0	0	111.7	L377 F398 C399 Y404 Y405	L377-S402 WeakPolarHBondContact CD2-OG 3.49Å; F398-S402 PolarHBondContact O-N 3.33Å; C399-S402 VanDerWaalsContact O-CB 3.22Å; C399-S402 WeakPolarHBondContact O-CB 3.5Å; C399-S402 PolarHBondContact O-N 2.93Å; C399-S402 VanDerWaalsContact O-N 3.14Å; S402-Y404 PolarHBondContact O-N 3.15Å; S402-Y404 WeakPolarHBondContact OG-CD2 3.33Å; S402-Y404 PolarHBondContact OG-N 3.29Å; S402-Y405 PolarHBondContact O-N 2.94Å
403	K	90.5	Very high	94.1	Very high	171 Å²	171	73 Å²	73	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.1	173.4	70.2	178.2	-177.8	178.3	0	114.4
404	Y	90.1	Very high	94.2	Very high	30 Å²	30	71.3 Å²	71.3	12%	0.118	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-14.9	178.5	-53.5	-55.6	0	0	0	113.1	R335 T336 T376 L377 S402	R335-Y404 VanDerWaalsContact CD-CD1 3.47Å; R335-Y404 HydrophobicContact CG-CD1 4.02Å; R335-Y404 HydrophobicContact CG-CG 4.26Å; R335-Y404 VanDerWaalsContact NE-CE1 3.29Å; T336-Y404 WeakPolarHBondContact CA-O 3.32Å; T376-Y404 HydrophobicContact CG2-CD2 3.99Å; T376-Y404 HydrophobicContact CG2-CE1 4.46Å; T376-Y404 HydrophobicContact CG2-CE2 3.69Å; T376-Y404 HydrophobicContact CG2-CG 4.47Å; L377-Y404 HydrophobicContact CD2-CD2 3.89Å; S402-Y404 PolarHBondContact O-N 3.15Å; S402-Y404 WeakPolarHBondContact OG-CD2 3.33Å; S402-Y404 PolarHBondContact OG-N 3.29Å
405	Y	93.8	Very high	94.3	Very high	52 Å²	52	67.5 Å²	67.5	20%	0.204	35%	0.347	C	S	.	.			trans	-88.6	120.9	176.3	-179.9	-105.1	0	0	0	110.2	T339 W340 V343 C399 V400 S402 V407	T339-Y405 HydrophobicContact CG2-CD2 4.3Å; W340-Y405 HydrophobicContact CB-CE2 4.44Å; W340-Y405 AromaticContact CD1-CE2 3.94Å; V343-Y405 HydrophobicContact CB-CD2 3.86Å; V343-Y405 HydrophobicContact CB-CE2 3.57Å; V343-Y405 HydrophobicContact CG1-CD2 4.01Å; V343-Y405 HydrophobicContact CG1-CE2 3.41Å; V343-Y405 VanDerWaalsContact CG1-CE2 3.41Å; V343-Y405 HydrophobicContact CG2-CD2 3.72Å; V343-Y405 HydrophobicContact CG2-CE2 3.96Å; C399-Y405 WeakPolarHBondContact O-CB 3.44Å; V400-Y405 HydrophobicContact CB-CD1 4.03Å; V400-Y405 HydrophobicContact CB-CE1 4.02Å; V400-Y405 HydrophobicContact CG1-CD1 4.3Å; V400-Y405 HydrophobicContact CG1-CE1 3.95Å; V400-Y405 WeakPolarHBondContact O-CD1 3.47Å; S402-Y405 PolarHBondContact O-N 2.94Å; Y405-V407 HydrophobicContact CE1-CG2 4.16Å; Y405-V407 WeakPolarHBondContact OH-CG2 3.41Å
406	R	93.8	Very high	94.5	Very high	182 Å²	182	70 Å²	70	69%	0.687	36%	0.355	S	S	*	.			trans	-146.3	124.5	172	-175.1	174.5	-179.2	178.2	1.5	108.4	P408	R406-P408 WeakPolarHBondContact O-CD 3.48Å
407	V	95.7	Very high	94.7	Very high	82 Å²	82	71.7 Å²	71.7	50%	0.497	36%	0.364	S	S	.	.			trans	-66	126.1	169.9	-177.8	0	0	0	0	107.9	Y405 S409	Y405-V407 HydrophobicContact CE1-CG2 4.16Å; Y405-V407 WeakPolarHBondContact OH-CG2 3.41Å; V407-S409 PolarHBondContact O-N 2.84Å
408	P	96.7	Very high	94.8	Very high	15 Å²	15	73.3 Å²	73.3	10%	0.097	37%	0.369	C	S	.	.			trans	-59	139	177.3	-22.7	32.3	0	0	0	111.3	W340 R406 L410 I411	W340-P408 HydrophobicContact CD2-CG 3.85Å; W340-P408 VanDerWaalsContact CE2-CD 3.49Å; W340-P408 HydrophobicContact CE3-CG 3.86Å; W340-P408 HydrophobicContact CG-CG 4.37Å; W340-P408 HydrophobicContact CH2-CG 4.26Å; W340-P408 HydrophobicContact CZ2-CG 4.28Å; W340-P408 HydrophobicContact CZ3-CG 4.06Å; R406-P408 WeakPolarHBondContact O-CD 3.48Å; P408-L410 WeakPolarHBondContact CB-O 3.29Å; P408-L410 PolarHBondContact O-N 2.95Å; P408-I411 HydrophobicContact CB-CD1 3.81Å; P408-I411 HydrophobicContact CG-CD1 4.01Å
409	S	95.1	Very high	94.7	Very high	85 Å²	85	69.8 Å²	69.8	59%	0.594	36%	0.359	S	S	*	.	S	Bend	trans	-71.1	-21.7	176.5	55.9	0	0	0	0	113.1	V407	V407-S409 PolarHBondContact O-N 2.84Å
410	L	97.5	Very high	94.6	Very high	45 Å²	45	73.3 Å²	73.3	24%	0.236	39%	0.388	C	S	.	.	S	Bend	trans	-124.8	127.6	175.7	-63.3	170.6	0	0	0	108	L214 K299 Y301 F304 Q307 P408	L214-L410 HydrophobicContact CD1-CD1 3.97Å; K299-L410 WeakPolarHBondContact O-CD1 3.26Å; Y301-L410 HydrophobicContact CD1-CD1 3.57Å; Y301-L410 HydrophobicContact CE1-CD1 3.62Å; F304-L410 HydrophobicContact CB-CB 4.42Å; F304-L410 HydrophobicContact CD2-CB 3.68Å; F304-L410 HydrophobicContact CE2-CB 4.36Å; F304-L410 HydrophobicContact CG-CB 4.37Å; Q307-L410 PolarHBondContact NE2-O 2.8Å; P408-L410 WeakPolarHBondContact CB-O 3.29Å; P408-L410 PolarHBondContact O-N 2.95Å
411	I	98	Very high	94.3	Very high	69 Å²	69	71.5 Å²	71.5	35%	0.354	38%	0.377	S	S	.	.			trans	-113.9	125.1	-178.6	-57.2	-66.9	0	0	0	108.5	Q211 W340 P408 D413	Q211-I411 PolarHBondContact OE1-O 2.99Å; W340-I411 HydrophobicContact CH2-CD1 3.89Å; W340-I411 HydrophobicContact CZ2-CD1 3.67Å; P408-I411 HydrophobicContact CB-CD1 3.81Å; P408-I411 HydrophobicContact CG-CD1 4.01Å; I411-D413 PolarHBondContact O-N 3.39Å
412	V	97.9	Very high	94	Very high	17 Å²	17	68.8 Å²	68.8	10%	0.103	36%	0.361	C	S	.	.			trans	-70.6	125.4	171.3	175.6	0	0	0	0	108.4	Y209 F304 Q307 F308 M311	Y209-V412 HydrophobicContact CE2-CG1 3.97Å; F304-V412 HydrophobicContact CD1-CG2 4.32Å; F304-V412 HydrophobicContact CD2-CG2 3.56Å; F304-V412 HydrophobicContact CE1-CG2 4.21Å; F304-V412 HydrophobicContact CE2-CB 4.26Å; F304-V412 HydrophobicContact CE2-CG2 3.44Å; F304-V412 VanDerWaalsContact CE2-CG2 3.44Å; F304-V412 HydrophobicContact CG-CG2 4.02Å; F304-V412 HydrophobicContact CZ-CG2 3.78Å; F304-V412 WeakPolarHBondContact O-CG2 3.48Å; Q307-V412 HydrophobicContact CB-CB 4.03Å; Q307-V412 HydrophobicContact CB-CG2 3.56Å; Q307-V412 VanDerWaalsContact OE1-N 3.1Å; F308-V412 HydrophobicContact CB-CG2 4.24Å; F308-V412 HydrophobicContact CD2-CG1 3.98Å; F308-V412 HydrophobicContact CD2-CG2 4.43Å; M311-V412 HydrophobicContact CE-CG1 3.82Å; M311-V412 HydrophobicContact SD-CG1 3.51Å; M311-V412 VanDerWaalsContact SD-CG1 3.51Å
413	D	96.6	Very high	93.2	Very high	50 Å²	50	72.1 Å²	72.1	27%	0.267	38%	0.38	S	S	.	.			trans	-120.9	115	178.9	-177.9	-16.8	0	0	0	109.4	Y209 I411 K415 Y416	Y209-D413 VanDerWaalsContact CE2-O 3.27Å; Y209-D413 WeakPolarHBondContact CE2-O 3.5Å; Y209-D413 PolarHBondContact OH-N 3.37Å; Y209-D413 PolarHBondContact OH-O 2.99Å; I411-D413 PolarHBondContact O-N 3.39Å; D413-K415 HydrophobicContact CB-CG 4.49Å; D413-K415 PolarHBondContact O-N 3.4Å; D413-K415 WeakPolarHBondContact OD1-CG 3.09Å; D413-K415 PolarHBondContact OD1-N 3.37Å; D413-K415 VanDerWaalsContact OD1-N 3.09Å; D413-K415 WeakPolarHBondContact OD2-CD 3.5Å; D413-K415 WeakPolarHBondContact OD2-CE 3.44Å; D413-K415 IonicContact OD2-NZ 2.73Å; D413-K415 PolarHBondContact OD2-NZ 3.48Å; D413-Y416 HydrophobicContact CB-CD2 3.82Å; D413-Y416 HydrophobicContact CB-CE2 4.06Å; D413-Y416 PolarHBondContact O-N 3.11Å
414	P	95.3	Very high	92.1	Very high	78 Å²	78	67 Å²	67	51%	0.506	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-53.1	-22	-177.6	-27.6	34.2	0	0	0	115.3	M311 Y416 L417	M311-P414 HydrophobicContact CG-CG 4.44Å; M311-P414 HydrophobicContact SD-CB 4.19Å; M311-P414 HydrophobicContact SD-CG 3.88Å; P414-Y416 PolarHBondContact O-N 2.96Å; P414-L417 HydrophobicContact CB-CD1 4.34Å; P414-L417 VanDerWaalsContact O-CB 3.31Å; P414-L417 WeakPolarHBondContact O-CB 3.25Å; P414-L417 PolarHBondContact O-N 2.76Å
415	K	96.5	Very high	90.5	Very high	142 Å²	142	71 Å²	71	62%	0.617	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20	177.3	82	-170	-179.8	-145.4	0	113.7	D413 L417	D413-K415 HydrophobicContact CB-CG 4.49Å; D413-K415 PolarHBondContact O-N 3.4Å; D413-K415 WeakPolarHBondContact OD1-CG 3.09Å; D413-K415 PolarHBondContact OD1-N 3.37Å; D413-K415 VanDerWaalsContact OD1-N 3.09Å; D413-K415 WeakPolarHBondContact OD2-CD 3.5Å; D413-K415 WeakPolarHBondContact OD2-CE 3.44Å; D413-K415 IonicContact OD2-NZ 2.73Å; D413-K415 PolarHBondContact OD2-NZ 3.48Å; K415-L417 VanDerWaalsContact C-N 3.34Å
416	Y	97.9	Very high	88.8	Confident	74 Å²	74	71.9 Å²	71.9	29%	0.29	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-91.1	5.1	177.7	-66.5	-60.2	0	0	0	113.2	Y209 R210 Q211 D413 P414 L418	Y209-Y416 WeakPolarHBondContact CA-O 3.48Å; R210-Y416 PolarHBondContact N-O 2.82Å; R210-Y416 VanDerWaalsContact N-O 3.13Å; R210-Y416 WeakPolarHBondContact O-CB 3.3Å; R210-Y416 WeakPolarHBondContact O-CD1 3.18Å; Q211-Y416 HydrophobicContact CB-CD1 4.31Å; Q211-Y416 HydrophobicContact CB-CD2 3.82Å; Q211-Y416 HydrophobicContact CB-CE2 4.24Å; Q211-Y416 HydrophobicContact CB-CG 3.86Å; Q211-Y416 HydrophobicContact CG-CD1 4.47Å; Q211-Y416 HydrophobicContact CG-CD2 3.66Å; Q211-Y416 HydrophobicContact CG-CE1 4.42Å; Q211-Y416 HydrophobicContact CG-CE2 3.58Å; Q211-Y416 HydrophobicContact CG-CG 4.13Å; D413-Y416 HydrophobicContact CB-CD2 3.82Å; D413-Y416 HydrophobicContact CB-CE2 4.06Å; D413-Y416 PolarHBondContact O-N 3.11Å; P414-Y416 PolarHBondContact O-N 2.96Å; Y416-L418 PolarHBondContact O-N 3.09Å
417	L	97.3	Very high	86.9	Confident	53 Å²	53	67.3 Å²	67.3	28%	0.277	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-67.9	122.8	168.1	-75.9	168.1	0	0	0	109.7	L208 Y209 F308 M311 P414 K415	L208-L417 CarbonylContact O-C 3.43Å; L208-L417 WeakPolarHBondContact O-CA 3.24Å; L208-L417 WeakPolarHBondContact O-CD2 3.48Å; Y209-L417 HydrophobicContact CD2-CD2 3.99Å; Y209-L417 HydrophobicContact CD2-CG 4.15Å; F308-L417 HydrophobicContact CE2-CD2 4.35Å; F308-L417 HydrophobicContact CZ-CD2 4.31Å; M311-L417 HydrophobicContact CE-CD1 4.03Å; M311-L417 HydrophobicContact CE-CD2 3.74Å; M311-L417 HydrophobicContact CE-CG 4.05Å; M311-L417 HydrophobicContact SD-CD1 4.06Å; M311-L417 HydrophobicContact SD-CG 4.43Å; P414-L417 HydrophobicContact CB-CD1 4.34Å; P414-L417 VanDerWaalsContact O-CB 3.31Å; P414-L417 WeakPolarHBondContact O-CB 3.25Å; P414-L417 PolarHBondContact O-N 2.76Å; K415-L417 VanDerWaalsContact C-N 3.34Å
418	L	96.7	Very high	84.6	Confident	105 Å²	105	68.3 Å²	68.3	55%	0.55	39%	0.388	S	S	.	.	S	Bend	trans	-83	-27.3	172.1	-54.9	-178.1	0	0	0	111.1	E207 L208 R210 Y416	E207-L418 HydrophobicContact CB-CD1 4.39Å; E207-L418 HydrophobicContact CG-CD1 3.91Å; L208-L418 PolarHBondContact O-N 2.85Å; R210-L418 HydrophobicContact CB-CD1 4.04Å; R210-L418 HydrophobicContact CB-CG 4.44Å; Y416-L418 PolarHBondContact O-N 3.09Å
419	A	91.4	Very high	82.3	Confident	28 Å²	28	76.2 Å²	76.2	23%	0.231	42%	0.421	C	S	.	.	S	Bend	trans	-157.7	158.6	175.8	0	0	0	0	0	111.9	L208	L208-A419 PolarHBondContact O-N 3.17Å
420	A	89.8	Confident	80	Confident	74 Å²	74	78.9 Å²	78.9	61%	0.612	42%	0.422	S	S	*	.			trans	-65.8	136	175.4	0	0	0	0	0	111.1	R206	R206-A420 PolarHBondContact NH2-O 2.99Å
421	P	88.5	Confident	77.4	Confident	23 Å²	23	85 Å²	85	15%	0.149	44%	0.442	C	S	.	.			trans	-56.2	152.3	169.9	-22.2	32	0	0	0	112.3	L208 I312 T423	L208-P421 HydrophobicContact CD1-CB 3.98Å; L208-P421 HydrophobicContact CD1-CG 4.16Å; I312-P421 HydrophobicContact CG1-CB 4.15Å; I312-P421 HydrophobicContact CG1-CG 3.91Å; I312-P421 HydrophobicContact CG2-CB 4.34Å; P421-T423 PolarHBondContact O-N 2.91Å; P421-T423 VanDerWaalsContact O-N 3.15Å
422	T	85.4	Confident	74.4	Confident	48 Å²	48	92 Å²	92	29%	0.294	46%	0.464	S	S	.	.			trans	-68.7	114.8	177.4	-63.4	0	0	0	0	109.6	E218 K424	E218-T422 WeakPolarHBondContact OE1-CB 3.38Å; E218-T422 PolarHBondContact OE1-OG1 3.06Å; E218-T422 WeakPolarHBondContact OE2-CB 3.49Å; E218-T422 PolarHBondContact OE2-N 3Å; E218-T422 PolarHBondContact OE2-OG1 2.88Å; T422-K424 HydrophobicContact CG2-CG 4.2Å
423	T	73.2	Confident	71.7	Confident	91 Å²	91	95.2 Å²	95.2	56%	0.558	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-95.2	119	171.9	60	0	0	0	0	108.6	E316 P421	E316-T423 HydrophobicContact CG-CG2 3.63Å; P421-T423 PolarHBondContact O-N 2.91Å; P421-T423 VanDerWaalsContact O-N 3.15Å
424	K	67.1	Low	68.9	Low	63 Å²	63	96 Å²	96	27%	0.274	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-103.5	128.3	169.2	-71.1	-169.8	-177.7	173.8	0	108	D220 K279 T422 R426	D220-K424 IonicContact OD2-NZ 3.99Å; D220-K424 PolarHBondContact OD2-NZ 2.91Å; K279-K424 HydrophobicContact CB-CD 4.11Å; K279-K424 HydrophobicContact CD-CD 4.35Å; K279-K424 HydrophobicContact CG-CD 4.16Å; T422-K424 HydrophobicContact CG2-CG 4.2Å; K424-R426 PolarHBondContact O-N 2.75Å
425	P	57.3	Low	66.1	Low	114 Å²	114	95.7 Å²	95.7	74%	0.74	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-58.9	137.7	-178.4	21.1	-30.1	0	0	0	110.2
426	R	56.8	Low	63.1	Low	72 Å²	72	97 Å²	97	27%	0.272	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-54.9	145.2	167.2	-76.5	-175.5	174.9	-164.1	-6.4	109.1	D284 K424 P428	D284-R426 IonicContact OD1-CZ 3.49Å; D284-R426 IonicContact OD1-NH1 2.93Å; D284-R426 PolarHBondContact OD1-NH1 3.21Å; D284-R426 IonicContact OD1-NH2 3.39Å; D284-R426 PolarHBondContact OD1-NH2 3.03Å; K424-R426 PolarHBondContact O-N 2.75Å; R426-P428 VanDerWaalsContact O-CD 3.27Å; R426-P428 WeakPolarHBondContact O-CD 3.44Å
427	D	55.3	Low	60.4	Low	86 Å²	86	99.2 Å²	99.2	46%	0.46	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-51.7	117.1	170.5	-175.9	-16.7	0	0	0	109.1	K429 K430	D427-K429 PolarHBondContact O-N 2.85Å; D427-K429 WeakPolarHBondContact OD1-CB 3.16Å; D427-K429 PolarHBondContact OD1-N 3.3Å; D427-K430 PolarHBondContact O-N 3.29Å
428	P	46	Very low	57.2	Low	102 Å²	102	101.2 Å²	101.2	66%	0.662	54%	0.541	S	S	*	.	H	α-helix	trans	-54.2	-29.1	-178.5	-24.1	31.5	0	0	0	113.1	R426 K430 R431	R426-P428 VanDerWaalsContact O-CD 3.27Å; R426-P428 WeakPolarHBondContact O-CD 3.44Å; P428-K430 PolarHBondContact O-N 2.98Å; P428-K430 VanDerWaalsContact O-N 3.1Å; P428-R431 PolarHBondContact O-N 2.87Å
429	K	48.6	Very low	53.9	Low	182 Å²	182	103.7 Å²	103.7	79%	0.791	55%	0.551	S	S	*	*	H	α-helix	trans	-59	-23.9	-179.7	-70	-179	178.7	176.9	0	113	D427	D427-K429 PolarHBondContact O-N 2.85Å; D427-K429 WeakPolarHBondContact OD1-CB 3.16Å; D427-K429 PolarHBondContact OD1-N 3.3Å
430	K	48.2	Very low	51.1	Low	140 Å²	140	107.6 Å²	107.6	61%	0.609	57%	0.568	S	S	*	*	H	α-helix	trans	-106.1	-6.3	179.6	-68.8	-170.6	178.4	-179.3	0	115.3	D427 P428 R432 A433	D427-K430 PolarHBondContact O-N 3.29Å; P428-K430 PolarHBondContact O-N 2.98Å; P428-K430 VanDerWaalsContact O-N 3.1Å; K430-R432 PolarHBondContact O-N 2.81Å; K430-R432 VanDerWaalsContact O-N 3.12Å; K430-A433 PolarHBondContact O-N 2.75Å
431	R	42.4	Very low	48.3	Very low	174 Å²	174	112.7 Å²	112.7	66%	0.657	58%	0.582	S	S	*	*	H	α-helix	trans	-54.9	-32.2	174.8	-111	-177.8	86.8	179.4	6	112.9	P428 A433 S434 S435	P428-R431 PolarHBondContact O-N 2.87Å; R431-A433 PolarHBondContact O-N 2.98Å; R431-S434 PolarHBondContact O-N 3.13Å; R431-S434 VanDerWaalsContact O-N 3.1Å; R431-S435 PolarHBondContact O-N 2.63Å; R431-S435 PolarHBondContact O-OG 3.29Å
432	R	35	Very low	45.7	Very low	216 Å²	216	120.7 Å²	120.7	82%	0.815	64%	0.636	S	S	*	*	H	α-helix	trans	-60.4	-26.3	-178.6	-82.7	-175.9	166.9	-177	-3.5	114.1	K430	K430-R432 PolarHBondContact O-N 2.81Å; K430-R432 VanDerWaalsContact O-N 3.12Å
433	A	40.5	Very low	43.7	Very low	85 Å²	85	124.4 Å²	124.4	70%	0.702	65%	0.653	S	S	*	*	H	α-helix	trans	-76	-27.6	177.4	0	0	0	0	0	112.8	K430 R431	K430-A433 PolarHBondContact O-N 2.75Å; R431-A433 PolarHBondContact O-N 2.98Å
434	S	37.7	Very low	42.2	Very low	67 Å²	67	126.1 Å²	126.1	47%	0.469	66%	0.658	S	S	.	*	H	α-helix	trans	-99	-24	-176.8	137.3	0	0	0	0	113.3	R431 Q436	R431-S434 PolarHBondContact O-N 3.13Å; R431-S434 VanDerWaalsContact O-N 3.1Å; S434-Q436 VanDerWaalsContact C-N 3.3Å; S434-Q436 PolarHBondContact O-N 3.27Å
435	S	37.3	Very low	40.8	Very low	70 Å²	70	129.6 Å²	129.6	49%	0.49	68%	0.68	S	S	.	*	G	3₁₀ helix	trans	-77.3	-6.8	-173.9	63.1	0	0	0	0	115.2	R431 H437	R431-S435 PolarHBondContact O-N 2.63Å; R431-S435 PolarHBondContact O-OG 3.29Å; S435-H437 PolarHBondContact O-N 3.32Å
436	Q	32.5	Very low	39.8	Very low	170 Å²	170	130.5 Å²	130.5	79%	0.794	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-73.9	17.6	172.7	-82.1	179.6	-23.2	0	0	113.5	S434	S434-Q436 VanDerWaalsContact C-N 3.3Å; S434-Q436 PolarHBondContact O-N 3.27Å
437	H	41.3	Very low	38.8	Very low	120 Å²	120	134.2 Å²	134.2	56%	0.556	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-121	23.1	-168.8	-82.5	16.7	0	0	0	115.2	R361 S435	R361-H437 PolarHBondContact NH2-O 2.75Å; S435-H437 PolarHBondContact O-N 3.32Å
438	S	29.5	Very low	37.7	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	72%	0.717	S	S	*	*			trans	-93.6	143.5	169.4	69.4	0	0	0	0	111.4
439	M	28.7	Very low	37.1	Very low	156 Å²	156	139.9 Å²	139.9	77%	0.768	72%	0.721	S	S	*	*			trans	94.6	150.6	178.8	-59.7	-178.2	158	0	0	115.9
440	D	32.8	Very low	36.2	Very low	110 Å²	110	136.7 Å²	136.7	59%	0.588	72%	0.716	S	S	*	*			trans	82.7	91.7	-171.1	-49.6	-19.9	0	0	0	115.3	R357	R357-D440 VanDerWaalsContact NH2-CB 3.32Å; R357-D440 PolarHBondContact NH2-O 3Å
441	M	31	Very low	35.2	Very low	182 Å²	182	136.4 Å²	136.4	90%	0.897	73%	0.725	S	S	*	*			trans	-89.5	137	146.6	-67	-156.5	72.9	0	0	107.9
442	C	33.9	Very low	34.6	Very low	191 Å²	191	133 Å²	133	100%	1.291	73%	0.731	S	S	*	*			trans	75.2	0	-173.1	-86	0	0	0	0	116.6

Retrieved 442 of 442 residues in 591.3 ms (Link to these results)

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