A0A096LSN8_POEFO Loading...

Sprouty related EVH1 domain containing 3

AlphaFold DB , UniProt , Accession A0A096LSN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 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	R	89.4	Confident	93.5	Very high	197 Å²	197	60.6 Å²	60.6	74%	0.743	28%	0.276	S	S	*	.				0	131.7	0	178.8	167.3	173.9	176.3	-6.6	107.6	H26 V27 V28	R1-H26 PolarHBondContact NE-CE1 2.88Å; R1-H26 VanDerWaalsContact NE-CE1 3.35Å; R1-H26 PolarHBondContact NE-ND1 3Å; R1-H26 PolarHBondContact NH2-CD2 3.23Å; R1-H26 PolarHBondContact NH2-NE2 3.13Å; R1-V27 CarbonylContact C-O 3.58Å; R1-V27 WeakPolarHBondContact CA-O 3.36Å; R1-V28 HydrophobicContact CB-CG1 3.67Å; R1-V28 HydrophobicContact CG-CG1 3.59Å
2	V	97.5	Very high	92.3	Very high	8 Å²	8	64.8 Å²	64.8	5%	0.048	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	-177.9	179.6	-61.3	0	0	0	0	109.9	H26 V27 F88 D93 F97	V2-H26 PolarHBondContact O-ND1 3.01Å; V2-H26 VanDerWaalsContact O-ND1 3.17Å; V2-V27 HydrophobicContact CG2-CB 3.92Å; V2-V27 PolarHBondContact N-O 3.4Å; V2-V27 PolarHBondContact O-N 2.87Å; V2-V27 VanDerWaalsContact O-N 3.17Å; V2-F88 HydrophobicContact CG2-CD1 4.34Å; V2-F88 HydrophobicContact CG2-CE1 4.07Å; V2-D93 HydrophobicContact CB-CB 4.49Å; V2-D93 WeakPolarHBondContact CG1-O 3.48Å; V2-F97 HydrophobicContact CG1-CB 4.06Å; V2-F97 HydrophobicContact CG2-CB 4.22Å; V2-F97 HydrophobicContact CG2-CD2 3.82Å; V2-F97 HydrophobicContact CG2-CG 4.37Å
3	R	97.1	Very high	91	Very high	116 Å²	116	66.1 Å²	66.1	44%	0.438	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.1	171.3	-71.5	-178.4	-172.2	176.2	7.5	109.1	S25 Q89	R3-S25 WeakPolarHBondContact CA-O 3.11Å; R3-Q89 PolarHBondContact O-N 3.24Å
4	A	98.1	Very high	90.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	159.4	-178.2	0	0	0	0	0	110.2	S25 V27 L86 T87 F88	A4-S25 PolarHBondContact N-O 3.35Å; A4-S25 VanDerWaalsContact N-O 3.09Å; A4-S25 PolarHBondContact O-N 2.96Å; A4-V27 HydrophobicContact CB-CG2 4.36Å; A4-L86 HydrophobicContact CB-CB 4.13Å; A4-L86 HydrophobicContact CB-CD2 4.15Å; A4-T87 CarbonylContact C-O 3.58Å; A4-T87 VanDerWaalsContact CA-O 3.24Å; A4-T87 WeakPolarHBondContact CA-O 3.45Å; A4-T87 WeakPolarHBondContact CB-O 3.23Å; A4-F88 HydrophobicContact CB-CD1 3.91Å; A4-F88 HydrophobicContact CB-CE1 4.36Å; A4-F88 HydrophobicContact CB-CG 4.42Å
5	V	98.1	Very high	90.3	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.8	161.4	-175.3	0	0	0	0	107.3	M7 P18 L24 T87	V5-M7 HydrophobicContact CG1-SD 3.89Å; V5-P18 HydrophobicContact CG1-CB 4.36Å; V5-L24 HydrophobicContact CG2-CD2 4.13Å; V5-T87 PolarHBondContact N-O 3.12Å; V5-T87 PolarHBondContact O-N 2.83Å
6	V	97.6	Very high	90.6	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.8	174.4	-175.2	0	0	0	0	108.7	L19 V27 V56 L57 L86	V6-L19 HydrophobicContact CB-CB 4.33Å; V6-L19 HydrophobicContact CG1-CB 3.97Å; V6-L19 HydrophobicContact CG1-CD2 3.83Å; V6-L19 HydrophobicContact CG1-CG 4.47Å; V6-L19 PolarHBondContact O-N 3.46Å; V6-V27 HydrophobicContact CG2-CG2 4.41Å; V6-V56 HydrophobicContact CB-CG2 4.42Å; V6-V56 HydrophobicContact CG2-CG2 3.91Å; V6-L57 HydrophobicContact CG1-CB 4.05Å; V6-L57 HydrophobicContact CG1-CD1 4.31Å; V6-L57 HydrophobicContact CG1-CD2 4.2Å; V6-L57 HydrophobicContact CG1-CG 4.43Å; V6-L57 HydrophobicContact CG2-CB 4.17Å; V6-L57 HydrophobicContact CG2-CD2 4.33Å; V6-L86 HydrophobicContact CB-CD2 4.48Å; V6-L86 HydrophobicContact CG2-CD2 3.98Å
7	M	97.1	Very high	90.8	Very high	23 Å²	23	61.7 Å²	61.7	11%	0.113	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.7	177.8	-51.1	-60.5	-70.1	0	0	109.2	V5 W16 V17 P18 F74 G85 T87	V5-M7 HydrophobicContact CG1-SD 3.89Å; M7-W16 HydrophobicContact CB-CE3 4Å; M7-W16 HydrophobicContact CE-CB 4.3Å; M7-V17 CarbonylContact C-O 3.54Å; M7-V17 WeakPolarHBondContact CA-O 3.01Å; M7-P18 HydrophobicContact CE-CB 4.4Å; M7-P18 HydrophobicContact SD-CB 4.1Å; M7-F74 HydrophobicContact CB-CE2 4.19Å; M7-F74 HydrophobicContact CG-CE2 3.89Å; M7-G85 PolarHBondContact N-O 2.8Å; M7-G85 PolarHBondContact O-N 2.84Å; M7-T87 WeakPolarHBondContact CG-OG1 3.08Å
8	T	95.1	Very high	91.1	Very high	34 Å²	34	62.2 Å²	62.2	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	156.2	162.7	-172.8	0	0	0	0	108	V17 L19 K83	T8-V17 HydrophobicContact CG2-CG2 3.65Å; T8-V17 PolarHBondContact N-O 3.3Å; T8-V17 PolarHBondContact O-N 2.75Å; T8-L19 HydrophobicContact CG2-CB 4.44Å; T8-L19 HydrophobicContact CG2-CD1 3.91Å; T8-K83 WeakPolarHBondContact CA-O 3.24Å
9	R	92.3	Very high	91.2	Very high	54 Å²	54	61.4 Å²	61.4	20%	0.204	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	143.8	161.2	-148.5	171.5	-172.3	164.9	-20.8	108.7	G14 G15 W16 K83 E338	R9-G14 PolarHBondContact NE-O 3.23Å; R9-G15 WeakPolarHBondContact CA-O 3.45Å; R9-G15 WeakPolarHBondContact CG-O 3.24Å; R9-W16 HydrophobicContact CB-CE3 4.27Å; R9-W16 HydrophobicContact CB-CH2 4.44Å; R9-W16 HydrophobicContact CB-CZ3 4.2Å; R9-K83 HydrophobicContact CB-CB 3.9Å; R9-K83 HydrophobicContact CB-CD 4.4Å; R9-K83 PolarHBondContact N-O 3.18Å; R9-E338 IonicContact CZ-OE1 3.1Å; R9-E338 IonicContact CZ-OE2 2.74Å; R9-E338 IonicContact NH1-OE1 2.96Å; R9-E338 PolarHBondContact NH1-OE1 2.9Å; R9-E338 IonicContact NH1-OE2 3.78Å; R9-E338 PolarHBondContact NH1-OE2 2.74Å; R9-E338 IonicContact NH2-OE1 2.76Å; R9-E338 PolarHBondContact NH2-OE1 2.89Å
10	D	85.3	Confident	91	Very high	47 Å²	47	60.9 Å²	60.9	25%	0.251	34%	0.343	S	S	.	.			trans	-98.6	125	168.5	157.4	39.2	0	0	0	108.2	S12 S13 G14 G15 V17	D10-S12 VanDerWaalsContact CG-OG 3.23Å; D10-S12 PolarHBondContact O-N 2.72Å; D10-S12 WeakPolarHBondContact OD1-CB 3.3Å; D10-S12 PolarHBondContact OD1-N 2.92Å; D10-S12 PolarHBondContact OD1-OG 2.97Å; D10-S12 PolarHBondContact OD2-OG 2.59Å; D10-S13 WeakPolarHBondContact OD2-CB 3.18Å; D10-S13 PolarHBondContact OD2-N 3.15Å; D10-S13 PolarHBondContact OD2-OG 3.48Å; D10-G14 WeakPolarHBondContact O-CA 3.47Å; D10-G14 PolarHBondContact O-N 3.45Å; D10-G15 PolarHBondContact N-O 3.09Å; D10-V17 HydrophobicContact CB-CG1 4.26Å; D10-V17 HydrophobicContact CB-CG2 3.94Å
11	D	80.8	Confident	90.7	Very high	152 Å²	152	61.3 Å²	61.3	81%	0.813	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.4	-175.9	-59.3	-44.1	0	0	0	112.7
12	S	79.4	Confident	90.8	Very high	111 Å²	111	52.3 Å²	52.3	78%	0.776	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-42.8	-179.9	70	0	0	0	0	113.4	D10	D10-S12 VanDerWaalsContact CG-OG 3.23Å; D10-S12 PolarHBondContact O-N 2.72Å; D10-S12 WeakPolarHBondContact OD1-CB 3.3Å; D10-S12 PolarHBondContact OD1-N 2.92Å; D10-S12 PolarHBondContact OD1-OG 2.97Å; D10-S12 PolarHBondContact OD2-OG 2.59Å
13	S	75.9	Confident	90.7	Very high	81 Å²	81	53.8 Å²	53.8	57%	0.566	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.5	174.7	65.6	0	0	0	0	114.2	D10 G15	D10-S13 WeakPolarHBondContact OD2-CB 3.18Å; D10-S13 PolarHBondContact OD2-N 3.15Å; D10-S13 PolarHBondContact OD2-OG 3.48Å; S13-G15 PolarHBondContact O-N 3.04Å; S13-G15 VanDerWaalsContact O-N 3.16Å; S13-G15 PolarHBondContact OG-N 3.22Å
14	G	82.5	Confident	90.7	Very high	36 Å²	36	51 Å²	51	37%	0.371	34%	0.34	S	S	.	.			trans	67.3	1.7	-168	0	0	0	0	0	114.2	R9 D10	R9-G14 PolarHBondContact NE-O 3.23Å; D10-G14 WeakPolarHBondContact O-CA 3.47Å; D10-G14 PolarHBondContact O-N 3.45Å
15	G	89	Confident	90.7	Very high	28 Å²	28	51.1 Å²	51.1	29%	0.289	34%	0.341	S	S	.	.	S	Bend	trans	-89.1	167.5	-174.4	0	0	0	0	0	114.3	R9 D10 S13	R9-G15 WeakPolarHBondContact CA-O 3.45Å; R9-G15 WeakPolarHBondContact CG-O 3.24Å; D10-G15 PolarHBondContact N-O 3.09Å; S13-G15 PolarHBondContact O-N 3.04Å; S13-G15 VanDerWaalsContact O-N 3.16Å; S13-G15 PolarHBondContact OG-N 3.22Å
16	W	93.9	Very high	90.7	Very high	70 Å²	70	50.9 Å²	50.9	27%	0.265	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.9	174.2	-71.9	103.9	0	0	0	111	M7 R9 F74 H76 K83	M7-W16 HydrophobicContact CB-CE3 4Å; M7-W16 HydrophobicContact CE-CB 4.3Å; R9-W16 HydrophobicContact CB-CE3 4.27Å; R9-W16 HydrophobicContact CB-CH2 4.44Å; R9-W16 HydrophobicContact CB-CZ3 4.2Å; W16-F74 HydrophobicContact CB-CZ 4.49Å; W16-F74 AromaticContact CD1-CE1 3.96Å; W16-F74 HydrophobicContact CD2-CE1 4.14Å; W16-F74 AromaticContact CD2-CZ 3.52Å; W16-F74 HydrophobicContact CD2-CZ 3.52Å; W16-F74 AromaticContact CE2-CE1 3.89Å; W16-F74 AromaticContact CE2-CZ 3.66Å; W16-F74 AromaticContact CE3-CZ 3.9Å; W16-F74 HydrophobicContact CE3-CZ 3.9Å; W16-F74 HydrophobicContact CG-CE1 4.18Å; W16-F74 AromaticContact CG-CZ 3.79Å; W16-F74 HydrophobicContact CG-CZ 3.79Å; W16-F74 HydrophobicContact CH2-CZ 4.5Å; W16-F74 HydrophobicContact CZ2-CE1 4.44Å; W16-F74 HydrophobicContact CZ2-CZ 4.16Å; W16-F74 HydrophobicContact CZ3-CZ 4.37Å; W16-F74 AromaticContact NE1-CE1 3.77Å; W16-F74 AromaticContact NE1-CZ 3.95Å; W16-H76 HydrophobicContact CH2-CB 3.41Å; W16-H76 VanDerWaalsContact CH2-CB 3.41Å; W16-H76 AromaticContact CH2-CG 3.69Å; W16-H76 HydrophobicContact CZ2-CB 3.66Å; W16-H76 AromaticContact CZ2-CD2 3.55Å; W16-H76 AromaticContact CZ2-CG 3.45Å; W16-H76 VanDerWaalsContact CZ2-CG 3.45Å; W16-H76 AromaticContact CZ2-ND1 3.88Å; W16-H76 HydrophobicContact CZ3-CB 4.25Å; W16-K83 HydrophobicContact CH2-CB 4.01Å; W16-K83 HydrophobicContact CZ3-CB 4.45Å
17	V	94.9	Very high	90.7	Very high	56 Å²	56	50.8 Å²	50.8	34%	0.339	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.5	-178.4	-63.2	0	0	0	0	111.6	M7 T8 D10 L19	M7-V17 CarbonylContact C-O 3.54Å; M7-V17 WeakPolarHBondContact CA-O 3.01Å; T8-V17 HydrophobicContact CG2-CG2 3.65Å; T8-V17 PolarHBondContact N-O 3.3Å; T8-V17 PolarHBondContact O-N 2.75Å; D10-V17 HydrophobicContact CB-CG1 4.26Å; D10-V17 HydrophobicContact CB-CG2 3.94Å; V17-L19 PolarHBondContact O-N 3.46Å
18	P	95.4	Very high	90.7	Very high	70 Å²	70	51.6 Å²	51.6	46%	0.455	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.9	-177.1	28.7	-34.7	0	0	0	111.9	V5 M7	V5-P18 HydrophobicContact CG1-CB 4.36Å; M7-P18 HydrophobicContact CE-CB 4.4Å; M7-P18 HydrophobicContact SD-CB 4.1Å
19	L	93	Very high	90.7	Very high	48 Å²	48	52 Å²	52	25%	0.251	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-70.3	139.4	-174.5	-172.2	55.5	0	0	0	111.4	V6 T8 V17 G21 G22 V56 F84	V6-L19 HydrophobicContact CB-CB 4.33Å; V6-L19 HydrophobicContact CG1-CB 3.97Å; V6-L19 HydrophobicContact CG1-CD2 3.83Å; V6-L19 HydrophobicContact CG1-CG 4.47Å; V6-L19 PolarHBondContact O-N 3.46Å; T8-L19 HydrophobicContact CG2-CB 4.44Å; T8-L19 HydrophobicContact CG2-CD1 3.91Å; V17-L19 PolarHBondContact O-N 3.46Å; L19-G21 PolarHBondContact O-N 2.97Å; L19-G22 PolarHBondContact O-N 3.34Å; L19-V56 WeakPolarHBondContact CD2-O 3.28Å; L19-F84 HydrophobicContact CD2-CD1 4.49Å; L19-F84 HydrophobicContact CD2-CE1 4.49Å
20	G	87.1	Confident	90.7	Very high	50 Å²	50	51.9 Å²	51.9	52%	0.515	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	66.2	15.3	180	0	0	0	0	0	115.3	R49	G20-R49 PolarHBondContact O-NH1 3.1Å
21	G	86.4	Confident	90.9	Very high	71 Å²	71	56 Å²	56	73%	0.732	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	86.7	12	-170.3	0	0	0	0	0	113.8	L19	L19-G21 PolarHBondContact O-N 2.97Å
22	G	90.9	Very high	90.6	Very high	7 Å²	7	49.4 Å²	49.4	7%	0.072	33%	0.334	C	S	.	.			trans	72.2	-156.1	170.6	0	0	0	0	0	115.5	L19 R49	L19-G22 PolarHBondContact O-N 3.34Å; G22-R49 WeakPolarHBondContact O-CD 3.49Å; G22-R49 PolarHBondContact O-NH1 3Å
23	G	94.5	Very high	90	Very high	39 Å²	39	55.6 Å²	55.6	40%	0.402	34%	0.341	S	S	.	.			trans	88.1	161.8	-168.9	0	0	0	0	0	113
24	L	97.4	Very high	89.2	Confident	58 Å²	58	53.6 Å²	53.6	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	139.3	178.4	-72.6	171.9	0	0	0	111.2	V5 L50 Q89	V5-L24 HydrophobicContact CG2-CD2 4.13Å; L24-L50 HydrophobicContact CB-CD1 3.65Å; L24-L50 HydrophobicContact CB-CG 4.25Å; L24-L50 WeakPolarHBondContact O-CB 3.43Å; L24-L50 VanDerWaalsContact O-CG 3.27Å; L24-L50 WeakPolarHBondContact O-CG 3.49Å; L24-L50 PolarHBondContact O-N 2.86Å; L24-Q89 HydrophobicContact CD1-CG 4.41Å; L24-Q89 VanDerWaalsContact CD1-OE1 3.3Å; L24-Q89 HydrophobicContact CD2-CG 3.54Å
25	S	98.1	Very high	88	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.014	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.7	179.8	-57.8	0	0	0	0	110.8	R3 A4 V27 E48 R49 V56	R3-S25 WeakPolarHBondContact CA-O 3.11Å; A4-S25 PolarHBondContact N-O 3.35Å; A4-S25 VanDerWaalsContact N-O 3.09Å; A4-S25 PolarHBondContact O-N 2.96Å; S25-V27 PolarHBondContact O-N 3.17Å; S25-E48 CarbonylContact C-O 3.52Å; S25-E48 VanDerWaalsContact CA-O 3.29Å; S25-E48 WeakPolarHBondContact CA-O 3.43Å; S25-E48 WeakPolarHBondContact CB-O 3.46Å; S25-R49 WeakPolarHBondContact OG-CA 3Å; S25-V56 WeakPolarHBondContact OG-CG2 3.27Å
26	H	97.4	Very high	86.5	Confident	30 Å²	30	63.7 Å²	63.7	14%	0.139	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	111.7	168.2	-97.3	-46.1	0	0	0	109.9	R1 V2 G47 E48 L50	R1-H26 PolarHBondContact NE-CE1 2.88Å; R1-H26 VanDerWaalsContact NE-CE1 3.35Å; R1-H26 PolarHBondContact NE-ND1 3Å; R1-H26 PolarHBondContact NH2-CD2 3.23Å; R1-H26 PolarHBondContact NH2-NE2 3.13Å; V2-H26 PolarHBondContact O-ND1 3.01Å; V2-H26 VanDerWaalsContact O-ND1 3.17Å; H26-G47 WeakPolarHBondContact O-CA 3.49Å; H26-E48 PolarHBondContact N-O 2.76Å; H26-E48 PolarHBondContact O-N 2.92Å; H26-L50 HydrophobicContact CB-CD2 4.16Å; H26-L50 WeakPolarHBondContact CD2-CD2 3.29Å
27	V	97.9	Very high	84.5	Confident	0 Å²	0	64 Å²	64	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.5	178.9	-167.1	0	0	0	0	110.2	R1 V2 A4 V6 S25 I45 R46 L57 L86 F97	R1-V27 CarbonylContact C-O 3.58Å; R1-V27 WeakPolarHBondContact CA-O 3.36Å; V2-V27 HydrophobicContact CG2-CB 3.92Å; V2-V27 PolarHBondContact N-O 3.4Å; V2-V27 PolarHBondContact O-N 2.87Å; V2-V27 VanDerWaalsContact O-N 3.17Å; A4-V27 HydrophobicContact CB-CG2 4.36Å; V6-V27 HydrophobicContact CG2-CG2 4.41Å; S25-V27 PolarHBondContact O-N 3.17Å; V27-I45 HydrophobicContact CG1-CG2 3.79Å; V27-R46 CarbonylContact C-O 3.54Å; V27-R46 WeakPolarHBondContact CA-O 3.31Å; V27-L57 HydrophobicContact CG1-CD2 4.35Å; V27-L86 HydrophobicContact CG1-CD1 4.07Å; V27-L86 HydrophobicContact CG1-CD2 4.47Å; V27-L86 HydrophobicContact CG2-CD2 3.91Å; V27-F97 HydrophobicContact CG1-CD2 4.45Å; V27-F97 HydrophobicContact CG1-CE2 3.75Å; V27-F97 HydrophobicContact CG1-CZ 4.42Å
28	V	96.8	Very high	82.7	Confident	39 Å²	39	70.6 Å²	70.6	24%	0.236	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.1	-177.8	-70.1	0	0	0	0	109.9	R1 C30 I45 R46	R1-V28 HydrophobicContact CB-CG1 3.67Å; R1-V28 HydrophobicContact CG-CG1 3.59Å; V28-C30 VanDerWaalsContact CG2-SG 3.53Å; V28-I45 WeakPolarHBondContact O-CA 3.33Å; V28-R46 HydrophobicContact CG2-CB 4Å; V28-R46 PolarHBondContact N-O 2.74Å; V28-R46 PolarHBondContact O-N 3.43Å
29	I	95.9	Very high	80.8	Confident	43 Å²	43	70.6 Å²	70.6	22%	0.221	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.4	167.8	-47.2	179.5	0	0	0	105.5	I45 F97 L101 V104	I29-I45 HydrophobicContact CG1-CG1 4.35Å; I29-F97 HydrophobicContact CD1-CD2 4.26Å; I29-F97 HydrophobicContact CD1-CE2 3.85Å; I29-F97 HydrophobicContact CD1-CZ 4.03Å; I29-F97 HydrophobicContact CG1-CD2 4.29Å; I29-F97 HydrophobicContact CG1-CE2 3.65Å; I29-F97 HydrophobicContact CG1-CZ 4.11Å; I29-L101 HydrophobicContact CD1-CB 3.76Å; I29-L101 HydrophobicContact CD1-CD1 4.16Å; I29-V104 HydrophobicContact CG2-CG2 3.96Å
30	C	92.2	Very high	79.4	Confident	51 Å²	51	75.6 Å²	75.6	35%	0.345	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.2	-176.4	-72.5	0	0	0	0	110	V28 Y43 I44	V28-C30 VanDerWaalsContact CG2-SG 3.53Å; C30-Y43 CarbonylContact O-C 3.48Å; C30-Y43 VanDerWaalsContact O-CA 3.28Å; C30-Y43 WeakPolarHBondContact O-CA 3.19Å; C30-I44 PolarHBondContact N-O 3.09Å; C30-I44 PolarHBondContact O-N 3.13Å
31	K	88.9	Confident	78.5	Confident	134 Å²	134	79.6 Å²	79.6	58%	0.583	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.8	167.6	176.4	-171.6	158.3	-167	0	107.8	E42 Y43	K31-E42 CarbonylContact C-O 3.49Å; K31-Y43 HydrophobicContact CB-CD1 4.05Å; K31-Y43 HydrophobicContact CB-CE1 4.01Å; K31-Y43 HydrophobicContact CG-CD1 4.49Å; K31-Y43 HydrophobicContact CG-CE1 4.24Å
32	G	75.6	Confident	78.5	Confident	14 Å²	14	79.7 Å²	79.7	14%	0.144	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-75.3	167.7	171.5	0	0	0	0	0	112.2	E42	G32-E42 PolarHBondContact N-O 3.45Å
33	R	66.8	Low	78.5	Confident	241 Å²	241	80.4 Å²	80.4	91%	0.909	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-99.9	122.8	161.4	-63	-176.3	-178.4	-160.7	0.6	106.1	L35	R33-L35 PolarHBondContact O-N 3.34Å
34	S	59.4	Low	78.5	Confident	38 Å²	38	79.9 Å²	79.9	27%	0.266	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-64.5	131.1	172.2	177.5	0	0	0	0	108.8	D36 R40	S34-D36 PolarHBondContact O-N 2.84Å; S34-D36 PolarHBondContact OG-N 2.83Å; S34-R40 WeakPolarHBondContact CB-O 3.43Å
35	L	56.3	Low	78.5	Confident	181 Å²	181	77.1 Å²	77.1	95%	0.948	39%	0.391	S	S	*	.	S	Bend	trans	-71.6	-13.2	175.9	-74.9	159.1	0	0	0	112.7	R33 G37	R33-L35 PolarHBondContact O-N 3.34Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.41Å
36	D	56.8	Low	78.3	Confident	95 Å²	95	82.7 Å²	82.7	51%	0.508	41%	0.412	S	S	.	.	S	Bend	trans	-92.9	24.9	-162.4	-167.9	49.9	0	0	0	114	S34 R38	S34-D36 PolarHBondContact O-N 2.84Å; S34-D36 PolarHBondContact OG-N 2.83Å; D36-R38 PolarHBondContact O-N 3.06Å; D36-R38 IonicContact OD1-NH2 3.88Å; D36-R38 IonicContact OD2-CZ 2.87Å; D36-R38 IonicContact OD2-NE 3.21Å; D36-R38 PolarHBondContact OD2-NE 2.68Å; D36-R38 IonicContact OD2-NH2 2.72Å; D36-R38 PolarHBondContact OD2-NH2 3.42Å
37	G	51.9	Low	78.3	Confident	77 Å²	77	81.3 Å²	81.3	79%	0.794	41%	0.406	S	S	*	.	S	Bend	trans	65.8	-26	174.6	0	0	0	0	0	117.5	L35 G39	L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.41Å; G37-G39 PolarHBondContact O-N 2.69Å
38	R	57.9	Low	78.2	Confident	195 Å²	195	84.8 Å²	84.8	74%	0.736	42%	0.422	S	S	*	.	S	Bend	trans	-72.7	13.5	-169.7	-81.6	-177.7	-95.4	-122.1	-1.7	116.2	D36 R40	D36-R38 PolarHBondContact O-N 3.06Å; D36-R38 IonicContact OD1-NH2 3.88Å; D36-R38 IonicContact OD2-CZ 2.87Å; D36-R38 IonicContact OD2-NE 3.21Å; D36-R38 PolarHBondContact OD2-NE 2.68Å; D36-R38 IonicContact OD2-NH2 2.72Å; D36-R38 PolarHBondContact OD2-NH2 3.42Å; R38-R40 PolarHBondContact O-N 2.88Å
39	G	55.3	Low	78.3	Confident	70 Å²	70	84.3 Å²	84.3	72%	0.722	42%	0.416	S	S	*	.			trans	60.2	4.8	-179.6	0	0	0	0	0	115.8	G37 R41	G37-G39 PolarHBondContact O-N 2.69Å; G39-R41 PolarHBondContact O-N 3.33Å
40	R	63.4	Low	78.2	Confident	152 Å²	152	85.2 Å²	85.2	57%	0.574	42%	0.421	S	S	*	.			trans	-69.8	128.2	-175.2	-162.5	176.7	-175.3	-160.2	1.2	109.4	S34 R38 E42	S34-R40 WeakPolarHBondContact CB-O 3.43Å; R38-R40 PolarHBondContact O-N 2.88Å; R40-E42 PolarHBondContact O-N 3.15Å
41	R	68.3	Low	78.4	Confident	135 Å²	135	92.2 Å²	92.2	51%	0.509	44%	0.44	S	S	.	.			trans	-79.5	103.3	177.1	-61.7	-177.9	-70	-162.7	0.3	108.5	G39	G39-R41 PolarHBondContact O-N 3.33Å
42	E	85.9	Confident	78.7	Confident	73 Å²	73	89 Å²	89	34%	0.341	43%	0.429	S	S	.	.			trans	-78.4	148.3	170.7	-173	162.8	-150.8	0	0	110.1	K31 G32 R40 I44	K31-E42 CarbonylContact C-O 3.49Å; G32-E42 PolarHBondContact N-O 3.45Å; R40-E42 PolarHBondContact O-N 3.15Å; E42-I44 HydrophobicContact CG-CG1 4.21Å
43	Y	92.5	Very high	79.6	Confident	22 Å²	22	96.2 Å²	96.2	9%	0.086	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.5	171.8	-64.5	-91.2	0	0	0	108.7	C30 K31 V61 V104 L108	C30-Y43 CarbonylContact O-C 3.48Å; C30-Y43 VanDerWaalsContact O-CA 3.28Å; C30-Y43 WeakPolarHBondContact O-CA 3.19Å; K31-Y43 HydrophobicContact CB-CD1 4.05Å; K31-Y43 HydrophobicContact CB-CE1 4.01Å; K31-Y43 HydrophobicContact CG-CD1 4.49Å; K31-Y43 HydrophobicContact CG-CE1 4.24Å; Y43-V61 PolarHBondContact O-N 2.84Å; Y43-V104 VanDerWaalsContact CB-CG1 3.48Å; Y43-V104 HydrophobicContact CD1-CB 4.42Å; Y43-V104 HydrophobicContact CD1-CG1 3.89Å; Y43-V104 HydrophobicContact CD1-CG2 3.67Å; Y43-V104 HydrophobicContact CD2-CG1 3.62Å; Y43-V104 HydrophobicContact CE1-CG1 4.48Å; Y43-V104 HydrophobicContact CE1-CG2 3.88Å; Y43-V104 HydrophobicContact CE2-CG1 4.22Å; Y43-V104 HydrophobicContact CG-CB 4.38Å; Y43-V104 HydrophobicContact CG-CG1 3.4Å; Y43-V104 VanDerWaalsContact CG-CG1 3.4Å; Y43-V104 HydrophobicContact CG-CG2 4.1Å; Y43-L108 HydrophobicContact CD2-CD1 4.31Å; Y43-L108 HydrophobicContact CD2-CD2 3.96Å; Y43-L108 HydrophobicContact CD2-CG 4.02Å; Y43-L108 HydrophobicContact CE2-CD2 4.24Å; Y43-L108 HydrophobicContact CE2-CG 4.25Å
44	I	93.9	Very high	81	Confident	27 Å²	27	86.1 Å²	86.1	14%	0.138	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.5	-172.3	-52.8	177.3	0	0	0	108.2	C30 E42 R46 E58 C59	C30-I44 PolarHBondContact N-O 3.09Å; C30-I44 PolarHBondContact O-N 3.13Å; E42-I44 HydrophobicContact CG-CG1 4.21Å; I44-R46 HydrophobicContact CG2-CG 3.88Å; I44-E58 HydrophobicContact CG2-CG 3.98Å; I44-C59 CarbonylContact C-O 3.55Å; I44-C59 WeakPolarHBondContact CA-O 3.25Å; I44-C59 WeakPolarHBondContact CG2-O 3.5Å
45	I	96.1	Very high	82.7	Confident	0 Å²	0	89.6 Å²	89.6	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.6	167	-57.7	166.2	0	0	0	106.7	V27 V28 I29 L57 E58 C59 V61 W77 F97 L101	V27-I45 HydrophobicContact CG1-CG2 3.79Å; V28-I45 WeakPolarHBondContact O-CA 3.33Å; I29-I45 HydrophobicContact CG1-CG1 4.35Å; I45-L57 HydrophobicContact CG2-CD2 3.74Å; I45-L57 HydrophobicContact CG2-CG 4.43Å; I45-E58 WeakPolarHBondContact O-CA 3.33Å; I45-C59 PolarHBondContact N-O 3.39Å; I45-C59 PolarHBondContact O-N 3.17Å; I45-V61 HydrophobicContact CD1-CG2 3.93Å; I45-V61 HydrophobicContact CG1-CG2 3.63Å; I45-W77 HydrophobicContact CD1-CH2 4.16Å; I45-W77 HydrophobicContact CD1-CZ2 3.58Å; I45-W77 HydrophobicContact CG2-CH2 4.28Å; I45-W77 HydrophobicContact CG2-CZ2 4.1Å; I45-F97 HydrophobicContact CD1-CZ 4.18Å; I45-F97 HydrophobicContact CG1-CZ 4.35Å; I45-F97 HydrophobicContact CG2-CE2 4.26Å; I45-F97 HydrophobicContact CG2-CZ 3.98Å; I45-L101 HydrophobicContact CD1-CD1 4.22Å
46	R	95.8	Very high	84.6	Confident	119 Å²	119	81.9 Å²	81.9	45%	0.449	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.8	175.4	-72.7	-175.7	163.6	-156.2	-9.4	110.5	V27 V28 I44 L57 E58	V27-R46 CarbonylContact C-O 3.54Å; V27-R46 WeakPolarHBondContact CA-O 3.31Å; V28-R46 HydrophobicContact CG2-CB 4Å; V28-R46 PolarHBondContact N-O 2.74Å; V28-R46 PolarHBondContact O-N 3.43Å; I44-R46 HydrophobicContact CG2-CG 3.88Å; R46-L57 CarbonylContact C-O 3.54Å; R46-L57 VanDerWaalsContact CA-O 3.31Å; R46-L57 WeakPolarHBondContact CA-O 3.33Å; R46-E58 IonicContact CZ-OE1 3.21Å; R46-E58 IonicContact CZ-OE2 3.61Å; R46-E58 IonicContact NE-OE1 3.06Å; R46-E58 PolarHBondContact NE-OE1 2.79Å; R46-E58 IonicContact NE-OE2 3.79Å; R46-E58 IonicContact NH2-OE1 2.68Å; R46-E58 PolarHBondContact NH2-OE1 3.39Å; R46-E58 IonicContact NH2-OE2 3.42Å; R46-E58 PolarHBondContact NH2-OE2 3.3Å
47	G	96.7	Very high	86.4	Confident	2 Å²	2	77.7 Å²	77.7	2%	0.021	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.3	174.2	0	0	0	0	0	110.6	H26 V56 L57	H26-G47 WeakPolarHBondContact O-CA 3.49Å; G47-V56 WeakPolarHBondContact O-CG2 3.45Å; G47-V56 PolarHBondContact O-N 2.96Å; G47-L57 PolarHBondContact N-O 2.6Å; G47-L57 PolarHBondContact O-N 2.93Å
48	E	96.8	Very high	88.4	Confident	72 Å²	72	78.9 Å²	78.9	34%	0.336	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123	178.5	-176.3	-164.3	109.3	0	0	108.9	S25 H26 R53	S25-E48 CarbonylContact C-O 3.52Å; S25-E48 VanDerWaalsContact CA-O 3.29Å; S25-E48 WeakPolarHBondContact CA-O 3.43Å; S25-E48 WeakPolarHBondContact CB-O 3.46Å; H26-E48 PolarHBondContact N-O 2.76Å; H26-E48 PolarHBondContact O-N 2.92Å; E48-R53 WeakPolarHBondContact OE1-CD 3.34Å; E48-R53 IonicContact OE1-CZ 3.6Å; E48-R53 IonicContact OE1-NE 3.71Å; E48-R53 IonicContact OE1-NH1 2.72Å; E48-R53 PolarHBondContact OE1-NH1 3.17Å
49	R	96.8	Very high	90	Very high	29 Å²	29	70 Å²	70	11%	0.109	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.4	-176.4	-176.7	164.6	62.4	-166.4	-7.6	111.8	G20 G22 S25 R51 D52 R53 A54 V56	G20-R49 PolarHBondContact O-NH1 3.1Å; G22-R49 WeakPolarHBondContact O-CD 3.49Å; G22-R49 PolarHBondContact O-NH1 3Å; S25-R49 WeakPolarHBondContact OG-CA 3Å; R49-R51 VanDerWaalsContact C-N 3.34Å; R49-R51 HydrophobicContact CG-CG 4.04Å; R49-R51 PolarHBondContact O-N 2.84Å; R49-D52 WeakPolarHBondContact CB-OD1 3.37Å; R49-D52 IonicContact CZ-OD1 3.21Å; R49-D52 IonicContact CZ-OD2 3.85Å; R49-D52 IonicContact NE-OD1 2.67Å; R49-D52 PolarHBondContact NE-OD1 2.85Å; R49-D52 IonicContact NE-OD2 3.81Å; R49-D52 PolarHBondContact NE-OD2 2.81Å; R49-D52 IonicContact NH2-OD1 2.69Å; R49-D52 IonicContact NH2-OD2 3.89Å; R49-D52 PolarHBondContact NH2-OD2 3.09Å; R49-R53 VanDerWaalsContact O-CA 3.24Å; R49-R53 WeakPolarHBondContact O-CA 3.4Å; R49-R53 PolarHBondContact O-N 3.47Å; R49-A54 PolarHBondContact N-O 3.48Å; R49-V56 HydrophobicContact CB-CG1 3.95Å; R49-V56 HydrophobicContact CB-CG2 4.29Å
50	L	95.9	Very high	91.7	Very high	62 Å²	62	67.8 Å²	67.8	33%	0.325	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.9	-173.9	-64.4	-175.4	0	0	0	114	L24 H26	L24-L50 HydrophobicContact CB-CD1 3.65Å; L24-L50 HydrophobicContact CB-CG 4.25Å; L24-L50 WeakPolarHBondContact O-CB 3.43Å; L24-L50 VanDerWaalsContact O-CG 3.27Å; L24-L50 WeakPolarHBondContact O-CG 3.49Å; L24-L50 PolarHBondContact O-N 2.86Å; H26-L50 HydrophobicContact CB-CD2 4.16Å; H26-L50 WeakPolarHBondContact CD2-CD2 3.29Å
51	R	95.1	Very high	93.1	Very high	198 Å²	198	60.9 Å²	60.9	75%	0.747	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-34.7	-169.8	79.7	-168.6	-67.5	-90	4	113.8	R49	R49-R51 VanDerWaalsContact C-N 3.34Å; R49-R51 HydrophobicContact CG-CG 4.04Å; R49-R51 PolarHBondContact O-N 2.84Å
52	D	95.6	Very high	94.1	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.353	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	5.7	-166.6	52.2	9	0	0	0	113.2	R49 A54	R49-D52 WeakPolarHBondContact CB-OD1 3.37Å; R49-D52 IonicContact CZ-OD1 3.21Å; R49-D52 IonicContact CZ-OD2 3.85Å; R49-D52 IonicContact NE-OD1 2.67Å; R49-D52 PolarHBondContact NE-OD1 2.85Å; R49-D52 IonicContact NE-OD2 3.81Å; R49-D52 PolarHBondContact NE-OD2 2.81Å; R49-D52 IonicContact NH2-OD1 2.69Å; R49-D52 IonicContact NH2-OD2 3.89Å; R49-D52 PolarHBondContact NH2-OD2 3.09Å; D52-A54 PolarHBondContact O-N 2.87Å; D52-A54 VanDerWaalsContact O-N 3.1Å; D52-A54 WeakPolarHBondContact OD1-CB 3.48Å; D52-A54 PolarHBondContact OD1-N 2.86Å
53	R	95.2	Very high	94.2	Very high	166 Å²	166	60.9 Å²	60.9	63%	0.626	28%	0.283	S	S	*	.			trans	60.3	15.7	-178.9	-55.5	-65.7	-173.4	144.7	9.7	114.3	E48 R49	E48-R53 WeakPolarHBondContact OE1-CD 3.34Å; E48-R53 IonicContact OE1-CZ 3.6Å; E48-R53 IonicContact OE1-NE 3.71Å; E48-R53 IonicContact OE1-NH1 2.72Å; E48-R53 PolarHBondContact OE1-NH1 3.17Å; R49-R53 VanDerWaalsContact O-CA 3.24Å; R49-R53 WeakPolarHBondContact O-CA 3.4Å; R49-R53 PolarHBondContact O-N 3.47Å
54	A	95.1	Very high	93.8	Very high	29 Å²	29	62.9 Å²	62.9	24%	0.24	31%	0.31	C	S	.	.			trans	-66.4	132.3	-179.4	0	0	0	0	0	111	R49 D52 V56	R49-A54 PolarHBondContact N-O 3.48Å; D52-A54 PolarHBondContact O-N 2.87Å; D52-A54 VanDerWaalsContact O-N 3.1Å; D52-A54 WeakPolarHBondContact OD1-CB 3.48Å; D52-A54 PolarHBondContact OD1-N 2.86Å; A54-V56 HydrophobicContact CB-CG1 4.39Å; A54-V56 PolarHBondContact O-N 3.45Å; A54-V56 VanDerWaalsContact O-N 3.15Å
55	P	95.7	Very high	93.6	Very high	111 Å²	111	62.5 Å²	62.5	72%	0.721	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	107.7	169.1	29.2	-32	0	0	0	108.7
56	V	95.3	Very high	93.4	Very high	20 Å²	20	67.1 Å²	67.1	12%	0.121	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-13.7	-178.5	-67.5	0	0	0	0	113	V6 L19 S25 G47 R49 A54	V6-V56 HydrophobicContact CB-CG2 4.42Å; V6-V56 HydrophobicContact CG2-CG2 3.91Å; L19-V56 WeakPolarHBondContact CD2-O 3.28Å; S25-V56 WeakPolarHBondContact OG-CG2 3.27Å; G47-V56 WeakPolarHBondContact O-CG2 3.45Å; G47-V56 PolarHBondContact O-N 2.96Å; R49-V56 HydrophobicContact CB-CG1 3.95Å; R49-V56 HydrophobicContact CB-CG2 4.29Å; A54-V56 HydrophobicContact CB-CG1 4.39Å; A54-V56 PolarHBondContact O-N 3.45Å; A54-V56 VanDerWaalsContact O-N 3.15Å
57	L	95.1	Very high	93.4	Very high	6 Å²	6	63.3 Å²	63.3	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	126	176.4	179.7	64.4	0	0	0	109.4	V6 V27 I45 R46 G47 C59 W77 F84 L86	V6-L57 HydrophobicContact CG1-CB 4.05Å; V6-L57 HydrophobicContact CG1-CD1 4.31Å; V6-L57 HydrophobicContact CG1-CD2 4.2Å; V6-L57 HydrophobicContact CG1-CG 4.43Å; V6-L57 HydrophobicContact CG2-CB 4.17Å; V6-L57 HydrophobicContact CG2-CD2 4.33Å; V27-L57 HydrophobicContact CG1-CD2 4.35Å; I45-L57 HydrophobicContact CG2-CD2 3.74Å; I45-L57 HydrophobicContact CG2-CG 4.43Å; R46-L57 CarbonylContact C-O 3.54Å; R46-L57 VanDerWaalsContact CA-O 3.31Å; R46-L57 WeakPolarHBondContact CA-O 3.33Å; G47-L57 PolarHBondContact N-O 2.6Å; G47-L57 PolarHBondContact O-N 2.93Å; L57-C59 HydrophobicContact CD1-CB 4.3Å; L57-W77 HydrophobicContact CD2-CH2 4.31Å; L57-W77 HydrophobicContact CD2-CZ2 4.2Å; L57-F84 HydrophobicContact CD1-CB 4.36Å; L57-F84 HydrophobicContact CD1-CD1 3.44Å; L57-F84 VanDerWaalsContact CD1-CD1 3.44Å; L57-F84 HydrophobicContact CD1-CE1 3.8Å; L57-F84 HydrophobicContact CD1-CG 3.94Å; L57-L86 HydrophobicContact CD2-CD2 4.25Å
58	E	93.9	Very high	93.3	Very high	103 Å²	103	64.1 Å²	64.1	48%	0.481	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	119.6	166.3	176.8	137.2	-141	0	0	107.6	I44 I45 R46	I44-E58 HydrophobicContact CG2-CG 3.98Å; I45-E58 WeakPolarHBondContact O-CA 3.33Å; R46-E58 IonicContact CZ-OE1 3.21Å; R46-E58 IonicContact CZ-OE2 3.61Å; R46-E58 IonicContact NE-OE1 3.06Å; R46-E58 PolarHBondContact NE-OE1 2.79Å; R46-E58 IonicContact NE-OE2 3.79Å; R46-E58 IonicContact NH2-OE1 2.68Å; R46-E58 PolarHBondContact NH2-OE1 3.39Å; R46-E58 IonicContact NH2-OE2 3.42Å; R46-E58 PolarHBondContact NH2-OE2 3.3Å
59	C	91.9	Very high	93.3	Very high	7 Å²	7	65.8 Å²	65.8	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	124.2	-169.1	-179.9	0	0	0	0	110	I44 I45 L57 V79 F84	I44-C59 CarbonylContact C-O 3.55Å; I44-C59 WeakPolarHBondContact CA-O 3.25Å; I44-C59 WeakPolarHBondContact CG2-O 3.5Å; I45-C59 PolarHBondContact N-O 3.39Å; I45-C59 PolarHBondContact O-N 3.17Å; L57-C59 HydrophobicContact CD1-CB 4.3Å; C59-V79 WeakPolarHBondContact SG-CG2 3.28Å; C59-F84 HydrophobicContact CB-CE2 4.39Å
60	A	91.4	Very high	93.1	Very high	25 Å²	25	68 Å²	68	21%	0.207	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	144	173.4	0	0	0	0	0	111
61	V	92.4	Very high	93	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.3	173.1	-175.7	0	0	0	0	108.2	Y43 I45 L65 L101 V104 L105 L108	Y43-V61 PolarHBondContact O-N 2.84Å; I45-V61 HydrophobicContact CD1-CG2 3.93Å; I45-V61 HydrophobicContact CG1-CG2 3.63Å; V61-L65 HydrophobicContact CG1-CD2 4.25Å; V61-L101 HydrophobicContact CG1-CD1 3.89Å; V61-L101 HydrophobicContact CG2-CD1 4.16Å; V61-V104 HydrophobicContact CB-CG1 4.26Å; V61-V104 HydrophobicContact CG1-CG1 3.86Å; V61-L105 HydrophobicContact CG1-CD2 3.77Å; V61-L108 HydrophobicContact CB-CD1 4.39Å; V61-L108 HydrophobicContact CG1-CD1 3.91Å; V61-L108 WeakPolarHBondContact O-CD1 3.07Å
62	Q	89.2	Confident	93	Very high	91 Å²	91	63.2 Å²	63.2	43%	0.425	34%	0.343	S	S	.	.			trans	-96.4	162.2	179.1	-60.7	-178.5	0.3	0	0	110.9	L105	Q62-L105 WeakPolarHBondContact O-CD2 3.47Å
63	R	87.3	Confident	93.1	Very high	117 Å²	117	63.1 Å²	63.1	44%	0.442	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	144.7	167.9	-73.1	-173	171.8	-171.2	-14	109.2	L65 L108 D109 G111	R63-L65 VanDerWaalsContact C-N 3.25Å; R63-L65 PolarHBondContact O-N 3.16Å; R63-L108 HydrophobicContact CG-CB 3.88Å; R63-L108 PolarHBondContact NE-O 3.08Å; R63-L108 PolarHBondContact NH2-O 3.36Å; R63-D109 WeakPolarHBondContact CD-OD1 3.19Å; R63-D109 VanDerWaalsContact CG-OD1 3.27Å; R63-D109 WeakPolarHBondContact CG-OD1 3.39Å; R63-D109 IonicContact NE-OD1 2.88Å; R63-D109 PolarHBondContact NH2-O 3.45Å; R63-G111 VanDerWaalsContact NH2-CA 3.29Å
64	G	84.6	Confident	93.2	Very high	64 Å²	64	56 Å²	56	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	21	-179	0	0	0	0	0	114.4	V66	G64-V66 PolarHBondContact O-N 3.15Å; G64-V66 VanDerWaalsContact O-N 3.16Å
65	L	90.5	Very high	93.4	Very high	20 Å²	20	55 Å²	55	11%	0.105	31%	0.307	C	S	.	.			trans	-56.8	118.1	172.3	-178.3	73.9	0	0	0	110.4	V61 R63 Y67 W77 R78 V79 L101 L105	V61-L65 HydrophobicContact CG1-CD2 4.25Å; R63-L65 VanDerWaalsContact C-N 3.25Å; R63-L65 PolarHBondContact O-N 3.16Å; L65-Y67 PolarHBondContact O-N 3.09Å; L65-W77 HydrophobicContact CD1-CB 4.25Å; L65-W77 HydrophobicContact CD1-CG 4.32Å; L65-W77 HydrophobicContact CD2-CG 4.41Å; L65-W77 HydrophobicContact CG-CB 4.34Å; L65-R78 WeakPolarHBondContact CD1-O 3.35Å; L65-V79 HydrophobicContact CD1-CG2 3.43Å; L65-V79 VanDerWaalsContact CD1-CG2 3.43Å; L65-L101 HydrophobicContact CD2-CD1 4.04Å; L65-L101 HydrophobicContact CD2-CD2 4.09Å; L65-L101 HydrophobicContact CD2-CG 4.49Å; L65-L105 HydrophobicContact CB-CD2 3.9Å
66	V	91.6	Very high	93.4	Very high	96 Å²	96	50.2 Å²	50.2	58%	0.582	27%	0.274	S	S	*	.			trans	-77.5	114.4	176.7	178.4	0	0	0	0	109.1	G64 N68 W77	G64-V66 PolarHBondContact O-N 3.15Å; G64-V66 VanDerWaalsContact O-N 3.16Å; V66-N68 WeakPolarHBondContact CG1-OD1 3.45Å; V66-W77 VanDerWaalsContact O-CA 3.26Å; V66-W77 WeakPolarHBondContact O-CA 3.49Å; V66-W77 WeakPolarHBondContact O-CB 3.45Å
67	Y	95.3	Very high	93.4	Very high	39 Å²	39	49.3 Å²	49.3	15%	0.153	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.3	-174.2	-175.9	-96.9	0	0	0	111.8	L65 K69 H75 W77 F97 E98 L101	L65-Y67 PolarHBondContact O-N 3.09Å; Y67-K69 HydrophobicContact CD1-CG 4.38Å; Y67-K69 HydrophobicContact CE1-CG 4.17Å; Y67-H75 HydrophobicContact CE1-CB 4.09Å; Y67-H75 AromaticContact CE1-ND1 3.62Å; Y67-H75 HydrophobicContact CE2-CB 4.16Å; Y67-H75 AromaticContact CZ-CG 3.96Å; Y67-H75 AromaticContact CZ-ND1 3.53Å; Y67-H75 VanDerWaalsContact OH-CB 3.32Å; Y67-H75 WeakPolarHBondContact OH-CB 3.47Å; Y67-H75 PolarHBondContact OH-ND1 3.31Å; Y67-W77 HydrophobicContact CD2-CB 4.2Å; Y67-W77 HydrophobicContact CD2-CD2 4.45Å; Y67-W77 AromaticContact CD2-CE3 3.87Å; Y67-W77 HydrophobicContact CD2-CE3 3.87Å; Y67-W77 AromaticContact CE2-CE3 3.66Å; Y67-W77 HydrophobicContact CE2-CE3 3.66Å; Y67-W77 HydrophobicContact CE2-CZ3 4.1Å; Y67-F97 HydrophobicContact CE2-CD1 4.41Å; Y67-F97 HydrophobicContact CE2-CE1 4.08Å; Y67-F97 WeakPolarHBondContact OH-CD1 3.42Å; Y67-E98 HydrophobicContact CE1-CB 4.32Å; Y67-E98 HydrophobicContact CE1-CG 4.09Å; Y67-L101 HydrophobicContact CD1-CD2 4.45Å; Y67-L101 HydrophobicContact CD2-CD2 3.28Å; Y67-L101 HydrophobicContact CE2-CD2 3.53Å; Y67-L101 HydrophobicContact CG-CD2 3.78Å
68	N	94.9	Very high	93.3	Very high	20 Å²	20	55.1 Å²	55.1	11%	0.107	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.3	-165.7	-67.7	24.1	0	0	0	110.7	V66 H75 H76 E340	V66-N68 WeakPolarHBondContact CG1-OD1 3.45Å; N68-H75 CarbonylContact O-C 3.52Å; N68-H75 WeakPolarHBondContact O-CA 3.36Å; N68-H75 WeakPolarHBondContact O-CB 3.41Å; N68-H76 VanDerWaalsContact CB-CE1 3.49Å; N68-H76 WeakPolarHBondContact CB-CE1 3.29Å; N68-H76 PolarHBondContact N-O 3.36Å; N68-H76 PolarHBondContact O-N 3.27Å; N68-E340 WeakPolarHBondContact CB-OE1 3.1Å; N68-E340 PolarHBondContact ND2-OE1 3.38Å; N68-E340 VanDerWaalsContact ND2-OE1 3.08Å; N68-E340 PolarHBondContact ND2-OE2 2.67Å
69	K	95.7	Very high	93.1	Very high	106 Å²	106	50.9 Å²	50.9	46%	0.461	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	73.8	-172.2	-54.7	-177.8	-154.1	177.1	0	111	Y67 N71 E98	Y67-K69 HydrophobicContact CD1-CG 4.38Å; Y67-K69 HydrophobicContact CE1-CG 4.17Å; K69-N71 VanDerWaalsContact C-N 3.35Å; K69-N71 PolarHBondContact O-N 2.91Å; K69-E98 VanDerWaalsContact CE-CD 3.45Å; K69-E98 VanDerWaalsContact CE-OE2 3.26Å; K69-E98 WeakPolarHBondContact CE-OE2 3.38Å; K69-E98 IonicContact NZ-OE1 2.78Å; K69-E98 PolarHBondContact NZ-OE1 2.92Å; K69-E98 IonicContact NZ-OE2 2.78Å; K69-E98 PolarHBondContact NZ-OE2 2.93Å
70	V	93.4	Very high	92.8	Very high	77 Å²	77	57.4 Å²	57.4	47%	0.467	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-38.6	-174.7	176.8	0	0	0	0	112.5	F74 H76	V70-F74 HydrophobicContact CB-CD1 4Å; V70-F74 HydrophobicContact CG1-CD1 4.32Å; V70-F74 HydrophobicContact CG2-CD1 4.49Å; V70-F74 PolarHBondContact N-O 3.02Å; V70-H76 WeakPolarHBondContact CG2-CD2 3.2Å; V70-H76 VanDerWaalsContact CG2-NE2 3.27Å; V70-H76 WeakPolarHBondContact CG2-NE2 3.11Å
71	N	93.5	Very high	92.4	Very high	68 Å²	68	62.2 Å²	62.2	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	169.4	170.6	77.4	50.6	0	0	0	111.6	K69 I73 F74 H75	K69-N71 VanDerWaalsContact C-N 3.35Å; K69-N71 PolarHBondContact O-N 2.91Å; N71-I73 PolarHBondContact O-N 2.84Å; N71-I73 VanDerWaalsContact OD1-CG1 3.23Å; N71-I73 WeakPolarHBondContact OD1-CG1 3.31Å; N71-I73 PolarHBondContact OD1-N 3.38Å; N71-F74 PolarHBondContact N-O 3.11Å; N71-F74 VanDerWaalsContact N-O 3.16Å; N71-F74 WeakPolarHBondContact ND2-CB 3.45Å; N71-F74 PolarHBondContact O-N 2.89Å; N71-F74 WeakPolarHBondContact OD1-CB 3.35Å; N71-F74 PolarHBondContact OD1-N 3.31Å; N71-H75 PolarHBondContact O-CD2 3.43Å
72	P	96.1	Very high	92.2	Very high	90 Å²	90	70.4 Å²	70.4	58%	0.584	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.5	-174	-27.1	36.2	0	0	0	116.4	P91 A94	P72-P91 HydrophobicContact CB-CB 4.23Å; P72-P91 HydrophobicContact CB-CG 4.06Å; P72-P91 VanDerWaalsContact O-CA 3.27Å; P72-P91 WeakPolarHBondContact O-CA 3.43Å; P72-A94 WeakPolarHBondContact O-CB 3.01Å
73	I	97.3	Very high	92.4	Very high	65 Å²	65	68.5 Å²	68.5	33%	0.333	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	4.4	177.1	64	170.2	0	0	0	113.4	N71 T87 F88 P91	N71-I73 PolarHBondContact O-N 2.84Å; N71-I73 VanDerWaalsContact OD1-CG1 3.23Å; N71-I73 WeakPolarHBondContact OD1-CG1 3.31Å; N71-I73 PolarHBondContact OD1-N 3.38Å; I73-T87 CarbonylContact O-C 3.56Å; I73-T87 WeakPolarHBondContact O-CA 3.45Å; I73-F88 WeakPolarHBondContact O-CD2 3.33Å; I73-F88 PolarHBondContact O-N 3.38Å; I73-P91 HydrophobicContact CG2-CG 3.85Å
74	F	97.9	Very high	92.8	Very high	17 Å²	17	64 Å²	64	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	106.9	-179.5	-176.1	-113.2	0	0	0	110.8	M7 W16 V70 N71 H76 L86 T87	M7-F74 HydrophobicContact CB-CE2 4.19Å; M7-F74 HydrophobicContact CG-CE2 3.89Å; W16-F74 HydrophobicContact CB-CZ 4.49Å; W16-F74 AromaticContact CD1-CE1 3.96Å; W16-F74 HydrophobicContact CD2-CE1 4.14Å; W16-F74 AromaticContact CD2-CZ 3.52Å; W16-F74 HydrophobicContact CD2-CZ 3.52Å; W16-F74 AromaticContact CE2-CE1 3.89Å; W16-F74 AromaticContact CE2-CZ 3.66Å; W16-F74 AromaticContact CE3-CZ 3.9Å; W16-F74 HydrophobicContact CE3-CZ 3.9Å; W16-F74 HydrophobicContact CG-CE1 4.18Å; W16-F74 AromaticContact CG-CZ 3.79Å; W16-F74 HydrophobicContact CG-CZ 3.79Å; W16-F74 HydrophobicContact CH2-CZ 4.5Å; W16-F74 HydrophobicContact CZ2-CE1 4.44Å; W16-F74 HydrophobicContact CZ2-CZ 4.16Å; W16-F74 HydrophobicContact CZ3-CZ 4.37Å; W16-F74 AromaticContact NE1-CE1 3.77Å; W16-F74 AromaticContact NE1-CZ 3.95Å; V70-F74 HydrophobicContact CB-CD1 4Å; V70-F74 HydrophobicContact CG1-CD1 4.32Å; V70-F74 HydrophobicContact CG2-CD1 4.49Å; V70-F74 PolarHBondContact N-O 3.02Å; N71-F74 PolarHBondContact N-O 3.11Å; N71-F74 VanDerWaalsContact N-O 3.16Å; N71-F74 WeakPolarHBondContact ND2-CB 3.45Å; N71-F74 PolarHBondContact O-N 2.89Å; N71-F74 WeakPolarHBondContact OD1-CB 3.35Å; N71-F74 PolarHBondContact OD1-N 3.31Å; F74-H76 HydrophobicContact CZ-CB 4.41Å; F74-L86 WeakPolarHBondContact CA-O 3.47Å; F74-L86 WeakPolarHBondContact CD2-O 3.49Å; F74-T87 WeakPolarHBondContact CD2-OG1 3.45Å
75	H	97.9	Very high	93.4	Very high	8 Å²	8	61 Å²	61	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.8	175.9	-53.8	173	0	0	0	109.2	Y67 N68 N71 G85 L86 F88	Y67-H75 HydrophobicContact CE1-CB 4.09Å; Y67-H75 AromaticContact CE1-ND1 3.62Å; Y67-H75 HydrophobicContact CE2-CB 4.16Å; Y67-H75 AromaticContact CZ-CG 3.96Å; Y67-H75 AromaticContact CZ-ND1 3.53Å; Y67-H75 VanDerWaalsContact OH-CB 3.32Å; Y67-H75 WeakPolarHBondContact OH-CB 3.47Å; Y67-H75 PolarHBondContact OH-ND1 3.31Å; N68-H75 CarbonylContact O-C 3.52Å; N68-H75 WeakPolarHBondContact O-CA 3.36Å; N68-H75 WeakPolarHBondContact O-CB 3.41Å; N71-H75 PolarHBondContact O-CD2 3.43Å; H75-G85 WeakPolarHBondContact O-CA 3.35Å; H75-L86 PolarHBondContact N-O 3.22Å; H75-L86 PolarHBondContact O-N 2.81Å; H75-F88 HydrophobicContact CB-CE2 4.01Å; H75-F88 AromaticContact CG-CE2 3.86Å; H75-F88 AromaticContact ND1-CE2 3.86Å
76	H	96.6	Very high	93.7	Very high	9 Å²	9	60 Å²	60	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	166.4	179.1	68.7	79.9	0	0	0	112.9	W16 N68 V70 F74 F84	W16-H76 HydrophobicContact CH2-CB 3.41Å; W16-H76 VanDerWaalsContact CH2-CB 3.41Å; W16-H76 AromaticContact CH2-CG 3.69Å; W16-H76 HydrophobicContact CZ2-CB 3.66Å; W16-H76 AromaticContact CZ2-CD2 3.55Å; W16-H76 AromaticContact CZ2-CG 3.45Å; W16-H76 VanDerWaalsContact CZ2-CG 3.45Å; W16-H76 AromaticContact CZ2-ND1 3.88Å; W16-H76 HydrophobicContact CZ3-CB 4.25Å; N68-H76 VanDerWaalsContact CB-CE1 3.49Å; N68-H76 WeakPolarHBondContact CB-CE1 3.29Å; N68-H76 PolarHBondContact N-O 3.36Å; N68-H76 PolarHBondContact O-N 3.27Å; V70-H76 WeakPolarHBondContact CG2-CD2 3.2Å; V70-H76 VanDerWaalsContact CG2-NE2 3.27Å; V70-H76 WeakPolarHBondContact CG2-NE2 3.11Å; F74-H76 HydrophobicContact CZ-CB 4.41Å; H76-F84 CarbonylContact C-O 3.6Å; H76-F84 WeakPolarHBondContact CA-O 3.45Å; H76-F84 VanDerWaalsContact CB-O 3.22Å; H76-F84 WeakPolarHBondContact CB-O 3.43Å
77	W	96.1	Very high	94	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.6	176.4	61.6	89	0	0	0	110.5	I45 L57 L65 V66 Y67 F84 L86 F97	I45-W77 HydrophobicContact CD1-CH2 4.16Å; I45-W77 HydrophobicContact CD1-CZ2 3.58Å; I45-W77 HydrophobicContact CG2-CH2 4.28Å; I45-W77 HydrophobicContact CG2-CZ2 4.1Å; L57-W77 HydrophobicContact CD2-CH2 4.31Å; L57-W77 HydrophobicContact CD2-CZ2 4.2Å; L65-W77 HydrophobicContact CD1-CB 4.25Å; L65-W77 HydrophobicContact CD1-CG 4.32Å; L65-W77 HydrophobicContact CD2-CG 4.41Å; L65-W77 HydrophobicContact CG-CB 4.34Å; V66-W77 VanDerWaalsContact O-CA 3.26Å; V66-W77 WeakPolarHBondContact O-CA 3.49Å; V66-W77 WeakPolarHBondContact O-CB 3.45Å; Y67-W77 HydrophobicContact CD2-CB 4.2Å; Y67-W77 HydrophobicContact CD2-CD2 4.45Å; Y67-W77 AromaticContact CD2-CE3 3.87Å; Y67-W77 HydrophobicContact CD2-CE3 3.87Å; Y67-W77 AromaticContact CE2-CE3 3.66Å; Y67-W77 HydrophobicContact CE2-CE3 3.66Å; Y67-W77 HydrophobicContact CE2-CZ3 4.1Å; W77-F84 HydrophobicContact CD2-CB 4.37Å; W77-F84 HydrophobicContact CZ2-CB 3.93Å; W77-F84 PolarHBondContact N-O 3.05Å; W77-F84 AromaticContact NE1-CD2 3.88Å; W77-F84 PolarHBondContact O-N 2.9Å; W77-L86 HydrophobicContact CH2-CD1 3.67Å; W77-L86 HydrophobicContact CH2-CD2 4.37Å; W77-L86 HydrophobicContact CH2-CG 3.66Å; W77-L86 HydrophobicContact CZ3-CD1 3.78Å; W77-L86 HydrophobicContact CZ3-CG 3.75Å; W77-F97 HydrophobicContact CH2-CE1 4.34Å; W77-F97 HydrophobicContact CH2-CZ 4.19Å; W77-F97 HydrophobicContact CZ3-CE1 4.07Å; W77-F97 HydrophobicContact CZ3-CZ 4.39Å
78	R	91.7	Very high	94.2	Very high	129 Å²	129	56 Å²	56	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.6	172.1	-176.8	177.7	176.9	169.7	1.5	109.4	L65 E80 D81 R82 K83	L65-R78 WeakPolarHBondContact CD1-O 3.35Å; R78-E80 VanDerWaalsContact CG-O 3.3Å; R78-E80 WeakPolarHBondContact CG-O 3.39Å; R78-E80 PolarHBondContact NE-O 2.94Å; R78-D81 IonicContact CZ-OD1 3.8Å; R78-D81 IonicContact NH2-OD1 2.68Å; R78-D81 PolarHBondContact NH2-OD1 2.87Å; R78-R82 WeakPolarHBondContact CA-O 3.4Å; R78-K83 HydrophobicContact CB-CG 4.39Å; R78-K83 HydrophobicContact CG-CG 4.37Å
79	V	90.3	Very high	94.3	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.8	163.6	170.2	0	0	0	0	107.4	C59 L65 D81 R82 F84	C59-V79 WeakPolarHBondContact SG-CG2 3.28Å; L65-V79 HydrophobicContact CD1-CG2 3.43Å; L65-V79 VanDerWaalsContact CD1-CG2 3.43Å; V79-D81 PolarHBondContact O-N 3.39Å; V79-R82 PolarHBondContact N-O 2.71Å; V79-R82 PolarHBondContact O-N 2.72Å; V79-F84 HydrophobicContact CB-CE2 4.49Å
80	E	84.9	Confident	94.3	Very high	144 Å²	144	55 Å²	55	67%	0.673	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	-123.5	-170.4	-63.1	159.6	-165.2	0	0	109.1	R78	R78-E80 VanDerWaalsContact CG-O 3.3Å; R78-E80 WeakPolarHBondContact CG-O 3.39Å; R78-E80 PolarHBondContact NE-O 2.94Å
81	D	83.8	Confident	94.4	Very high	127 Å²	127	54.1 Å²	54.1	68%	0.679	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	3.2	177.3	-65.2	-43.5	0	0	0	114.4	R78 V79	R78-D81 IonicContact CZ-OD1 3.8Å; R78-D81 IonicContact NH2-OD1 2.68Å; R78-D81 PolarHBondContact NH2-OD1 2.87Å; V79-D81 PolarHBondContact O-N 3.39Å
82	R	87.4	Confident	94.5	Very high	177 Å²	177	51.7 Å²	51.7	67%	0.668	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.5	-178.2	-62.2	-175.2	-177.3	-166.1	0.5	111.8	R78 V79 F84	R78-R82 WeakPolarHBondContact CA-O 3.4Å; V79-R82 PolarHBondContact N-O 2.71Å; V79-R82 PolarHBondContact O-N 2.72Å; R82-F84 HydrophobicContact CB-CD2 4.37Å; R82-F84 HydrophobicContact CB-CE2 3.63Å; R82-F84 HydrophobicContact CB-CZ 3.73Å
83	K	93.1	Very high	94.5	Very high	52 Å²	52	48.9 Å²	48.9	23%	0.226	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.7	173.5	-69.3	-174.4	-178.9	-173.4	0	110.3	T8 R9 W16 R78 E338	T8-K83 WeakPolarHBondContact CA-O 3.24Å; R9-K83 HydrophobicContact CB-CB 3.9Å; R9-K83 HydrophobicContact CB-CD 4.4Å; R9-K83 PolarHBondContact N-O 3.18Å; W16-K83 HydrophobicContact CH2-CB 4.01Å; W16-K83 HydrophobicContact CZ3-CB 4.45Å; R78-K83 HydrophobicContact CB-CG 4.39Å; R78-K83 HydrophobicContact CG-CG 4.37Å; K83-E338 IonicContact NZ-OE1 3.65Å; K83-E338 IonicContact NZ-OE2 2.69Å; K83-E338 PolarHBondContact NZ-OE2 3.19Å
84	F	96	Very high	94.5	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.5	179.6	-61.1	-77.5	0	0	0	110.9	L19 L57 C59 H76 W77 V79 R82	L19-F84 HydrophobicContact CD2-CD1 4.49Å; L19-F84 HydrophobicContact CD2-CE1 4.49Å; L57-F84 HydrophobicContact CD1-CB 4.36Å; L57-F84 HydrophobicContact CD1-CD1 3.44Å; L57-F84 VanDerWaalsContact CD1-CD1 3.44Å; L57-F84 HydrophobicContact CD1-CE1 3.8Å; L57-F84 HydrophobicContact CD1-CG 3.94Å; C59-F84 HydrophobicContact CB-CE2 4.39Å; H76-F84 CarbonylContact C-O 3.6Å; H76-F84 WeakPolarHBondContact CA-O 3.45Å; H76-F84 VanDerWaalsContact CB-O 3.22Å; H76-F84 WeakPolarHBondContact CB-O 3.43Å; W77-F84 HydrophobicContact CD2-CB 4.37Å; W77-F84 HydrophobicContact CZ2-CB 3.93Å; W77-F84 PolarHBondContact N-O 3.05Å; W77-F84 AromaticContact NE1-CD2 3.88Å; W77-F84 PolarHBondContact O-N 2.9Å; V79-F84 HydrophobicContact CB-CE2 4.49Å; R82-F84 HydrophobicContact CB-CD2 4.37Å; R82-F84 HydrophobicContact CB-CE2 3.63Å; R82-F84 HydrophobicContact CB-CZ 3.73Å
85	G	97.1	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157	177.4	0	0	0	0	0	112.5	M7 H75	M7-G85 PolarHBondContact N-O 2.8Å; M7-G85 PolarHBondContact O-N 2.84Å; H75-G85 WeakPolarHBondContact O-CA 3.35Å
86	L	98.3	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.6	173.2	-67.8	-179.2	0	0	0	110.4	A4 V6 V27 L57 F74 H75 W77 F88 F97	A4-L86 HydrophobicContact CB-CB 4.13Å; A4-L86 HydrophobicContact CB-CD2 4.15Å; V6-L86 HydrophobicContact CB-CD2 4.48Å; V6-L86 HydrophobicContact CG2-CD2 3.98Å; V27-L86 HydrophobicContact CG1-CD1 4.07Å; V27-L86 HydrophobicContact CG1-CD2 4.47Å; V27-L86 HydrophobicContact CG2-CD2 3.91Å; L57-L86 HydrophobicContact CD2-CD2 4.25Å; F74-L86 WeakPolarHBondContact CA-O 3.47Å; F74-L86 WeakPolarHBondContact CD2-O 3.49Å; H75-L86 PolarHBondContact N-O 3.22Å; H75-L86 PolarHBondContact O-N 2.81Å; W77-L86 HydrophobicContact CH2-CD1 3.67Å; W77-L86 HydrophobicContact CH2-CD2 4.37Å; W77-L86 HydrophobicContact CH2-CG 3.66Å; W77-L86 HydrophobicContact CZ3-CD1 3.78Å; W77-L86 HydrophobicContact CZ3-CG 3.75Å; L86-F88 HydrophobicContact CB-CD2 4.42Å; L86-F88 HydrophobicContact CB-CE1 4.04Å; L86-F88 HydrophobicContact CB-CE2 3.85Å; L86-F88 HydrophobicContact CB-CZ 3.64Å; L86-F88 HydrophobicContact CD1-CE1 3.8Å; L86-F88 HydrophobicContact CD1-CZ 3.68Å; L86-F88 HydrophobicContact CG-CZ 4.33Å; L86-F97 HydrophobicContact CD1-CD1 4.18Å; L86-F97 HydrophobicContact CD1-CD2 4.34Å; L86-F97 HydrophobicContact CD1-CE1 3.84Å; L86-F97 HydrophobicContact CD1-CE2 4.03Å; L86-F97 HydrophobicContact CD1-CG 4.4Å; L86-F97 HydrophobicContact CD1-CZ 3.76Å
87	T	97.8	Very high	94.5	Very high	46 Å²	46	49.9 Å²	49.9	28%	0.282	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	98.8	168	-49.9	0	0	0	0	108.7	A4 V5 M7 I73 F74	A4-T87 CarbonylContact C-O 3.58Å; A4-T87 VanDerWaalsContact CA-O 3.24Å; A4-T87 WeakPolarHBondContact CA-O 3.45Å; A4-T87 WeakPolarHBondContact CB-O 3.23Å; V5-T87 PolarHBondContact N-O 3.12Å; V5-T87 PolarHBondContact O-N 2.83Å; M7-T87 WeakPolarHBondContact CG-OG1 3.08Å; I73-T87 CarbonylContact O-C 3.56Å; I73-T87 WeakPolarHBondContact O-CA 3.45Å; F74-T87 WeakPolarHBondContact CD2-OG1 3.45Å
88	F	98.3	Very high	94.5	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.022	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	150	-178.8	-58	-82.5	0	0	0	111.6	V2 A4 I73 H75 L86 S90 D93 A94 F97	V2-F88 HydrophobicContact CG2-CD1 4.34Å; V2-F88 HydrophobicContact CG2-CE1 4.07Å; A4-F88 HydrophobicContact CB-CD1 3.91Å; A4-F88 HydrophobicContact CB-CE1 4.36Å; A4-F88 HydrophobicContact CB-CG 4.42Å; I73-F88 WeakPolarHBondContact O-CD2 3.33Å; I73-F88 PolarHBondContact O-N 3.38Å; H75-F88 HydrophobicContact CB-CE2 4.01Å; H75-F88 AromaticContact CG-CE2 3.86Å; H75-F88 AromaticContact ND1-CE2 3.86Å; L86-F88 HydrophobicContact CB-CD2 4.42Å; L86-F88 HydrophobicContact CB-CE1 4.04Å; L86-F88 HydrophobicContact CB-CE2 3.85Å; L86-F88 HydrophobicContact CB-CZ 3.64Å; L86-F88 HydrophobicContact CD1-CE1 3.8Å; L86-F88 HydrophobicContact CD1-CZ 3.68Å; L86-F88 HydrophobicContact CG-CZ 4.33Å; F88-S90 PolarHBondContact O-N 2.95Å; F88-D93 HydrophobicContact CB-CB 4.29Å; F88-D93 HydrophobicContact CD1-CB 4.36Å; F88-A94 HydrophobicContact CB-CB 4.12Å; F88-A94 HydrophobicContact CD1-CB 4.36Å; F88-A94 HydrophobicContact CD2-CB 3.32Å; F88-A94 HydrophobicContact CE2-CB 3.73Å; F88-A94 HydrophobicContact CG-CB 3.68Å; F88-A94 HydrophobicContact CZ-CB 4.41Å; F88-F97 HydrophobicContact CE1-CB 3.64Å; F88-F97 HydrophobicContact CE1-CD1 4.25Å; F88-F97 AromaticContact CE1-CG 3.89Å; F88-F97 HydrophobicContact CE1-CG 3.89Å; F88-F97 HydrophobicContact CZ-CB 3.91Å; F88-F97 AromaticContact CZ-CD1 3.87Å; F88-F97 HydrophobicContact CZ-CD1 3.87Å; F88-F97 AromaticContact CZ-CG 3.98Å; F88-F97 HydrophobicContact CZ-CG 3.98Å
89	Q	97.1	Very high	94.7	Very high	96 Å²	96	52.1 Å²	52.1	45%	0.449	26%	0.26	S	S	.	.	S	Bend	trans	-69.4	-12.4	172	-69.2	-179.6	111.9	0	0	113.6	R3 L24	R3-Q89 PolarHBondContact O-N 3.24Å; L24-Q89 HydrophobicContact CD1-CG 4.41Å; L24-Q89 VanDerWaalsContact CD1-OE1 3.3Å; L24-Q89 HydrophobicContact CD2-CG 3.54Å
90	S	95.6	Very high	94.9	Very high	8 Å²	8	52.9 Å²	52.9	6%	0.056	27%	0.271	C	S	.	.	S	Bend	trans	-165.1	161.7	176	77	0	0	0	0	113.4	F88 A92 D93 A94 R293	F88-S90 PolarHBondContact O-N 2.95Å; S90-A92 VanDerWaalsContact C-N 3.26Å; S90-A92 PolarHBondContact O-N 2.99Å; S90-A92 PolarHBondContact OG-N 2.77Å; S90-D93 PolarHBondContact O-N 2.9Å; S90-D93 VanDerWaalsContact O-N 3.15Å; S90-D93 PolarHBondContact OG-N 3.36Å; S90-D93 VanDerWaalsContact OG-N 3.16Å; S90-D93 PolarHBondContact OG-OD2 2.91Å; S90-A94 PolarHBondContact O-N 3.23Å; S90-A94 VanDerWaalsContact O-N 3.12Å; S90-R293 PolarHBondContact OG-NH1 2.94Å; S90-R293 PolarHBondContact OG-NH2 2.85Å
91	P	95.8	Very high	95.4	Very high	60 Å²	60	46.1 Å²	46.1	39%	0.39	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-32.5	173.6	-23.7	34.5	0	0	0	113.6	P72 I73 D93 A94 I95	P72-P91 HydrophobicContact CB-CB 4.23Å; P72-P91 HydrophobicContact CB-CG 4.06Å; P72-P91 VanDerWaalsContact O-CA 3.27Å; P72-P91 WeakPolarHBondContact O-CA 3.43Å; I73-P91 HydrophobicContact CG2-CG 3.85Å; P91-D93 VanDerWaalsContact C-N 3.32Å; P91-D93 PolarHBondContact O-N 2.95Å; P91-A94 WeakPolarHBondContact O-CB 3.45Å; P91-A94 PolarHBondContact O-N 3.18Å; P91-I95 WeakPolarHBondContact O-CB 3.47Å; P91-I95 WeakPolarHBondContact O-CD1 3.45Å; P91-I95 VanDerWaalsContact O-CG1 3.23Å; P91-I95 WeakPolarHBondContact O-CG1 3.47Å; P91-I95 PolarHBondContact O-N 3.12Å
92	A	95.3	Very high	95.9	Very high	17 Å²	17	44.7 Å²	44.7	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-34.3	176.7	0	0	0	0	0	112.4	S90 S96 R293	S90-A92 VanDerWaalsContact C-N 3.26Å; S90-A92 PolarHBondContact O-N 2.99Å; S90-A92 PolarHBondContact OG-N 2.77Å; A92-S96 VanDerWaalsContact O-CB 3.28Å; A92-S96 WeakPolarHBondContact O-CB 3.49Å; A92-S96 PolarHBondContact O-N 2.92Å; A92-S96 VanDerWaalsContact O-N 3.09Å; A92-S96 PolarHBondContact O-OG 3.37Å; A92-R293 HydrophobicContact CB-CB 4.37Å; A92-R293 HydrophobicContact CB-CG 3.96Å
93	D	96.9	Very high	96.2	Very high	31 Å²	31	39.5 Å²	39.5	17%	0.166	22%	0.216	C	C	.	.	H	α-helix	trans	-70.8	-41.6	173.6	-64.3	-62.8	0	0	0	110.8	V2 F88 S90 P91 S96 F97 R293	V2-D93 HydrophobicContact CB-CB 4.49Å; V2-D93 WeakPolarHBondContact CG1-O 3.48Å; F88-D93 HydrophobicContact CB-CB 4.29Å; F88-D93 HydrophobicContact CD1-CB 4.36Å; S90-D93 PolarHBondContact O-N 2.9Å; S90-D93 VanDerWaalsContact O-N 3.15Å; S90-D93 PolarHBondContact OG-N 3.36Å; S90-D93 VanDerWaalsContact OG-N 3.16Å; S90-D93 PolarHBondContact OG-OD2 2.91Å; P91-D93 VanDerWaalsContact C-N 3.32Å; P91-D93 PolarHBondContact O-N 2.95Å; D93-S96 PolarHBondContact O-N 3.27Å; D93-F97 PolarHBondContact O-N 2.92Å; D93-R293 IonicContact OD1-NH1 3.75Å; D93-R293 IonicContact OD2-CZ 2.92Å; D93-R293 IonicContact OD2-NH1 3.77Å; D93-R293 PolarHBondContact OD2-NH1 3.16Å
94	A	96.9	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.9	-51.7	175.5	0	0	0	0	0	112.2	P72 F88 S90 P91 S96 F97 E98	P72-A94 WeakPolarHBondContact O-CB 3.01Å; F88-A94 HydrophobicContact CB-CB 4.12Å; F88-A94 HydrophobicContact CD1-CB 4.36Å; F88-A94 HydrophobicContact CD2-CB 3.32Å; F88-A94 HydrophobicContact CE2-CB 3.73Å; F88-A94 HydrophobicContact CG-CB 3.68Å; F88-A94 HydrophobicContact CZ-CB 4.41Å; S90-A94 PolarHBondContact O-N 3.23Å; S90-A94 VanDerWaalsContact O-N 3.12Å; P91-A94 WeakPolarHBondContact O-CB 3.45Å; P91-A94 PolarHBondContact O-N 3.18Å; A94-S96 VanDerWaalsContact C-N 3.29Å; A94-S96 PolarHBondContact O-N 3.14Å; A94-F97 PolarHBondContact O-N 3.27Å; A94-E98 WeakPolarHBondContact O-CB 3.43Å; A94-E98 PolarHBondContact O-N 3.09Å
95	I	96.4	Very high	96	Very high	40 Å²	40	37.3 Å²	37.3	21%	0.205	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-36.4	176.6	-66.8	163.5	0	0	0	111.5	P91 K99	P91-I95 WeakPolarHBondContact O-CB 3.47Å; P91-I95 WeakPolarHBondContact O-CD1 3.45Å; P91-I95 VanDerWaalsContact O-CG1 3.23Å; P91-I95 WeakPolarHBondContact O-CG1 3.47Å; P91-I95 PolarHBondContact O-N 3.12Å; I95-K99 HydrophobicContact CG2-CD 4.14Å; I95-K99 WeakPolarHBondContact O-CG 3.33Å; I95-K99 PolarHBondContact O-N 3.03Å; I95-K99 VanDerWaalsContact O-N 3.09Å
96	S	97.3	Very high	95.7	Very high	73 Å²	73	40.6 Å²	40.6	51%	0.51	23%	0.226	S	C	.	.	H	α-helix	trans	-70.4	-34.4	178.5	-62.7	0	0	0	0	112.5	A92 D93 A94 G100	A92-S96 VanDerWaalsContact O-CB 3.28Å; A92-S96 WeakPolarHBondContact O-CB 3.49Å; A92-S96 PolarHBondContact O-N 2.92Å; A92-S96 VanDerWaalsContact O-N 3.09Å; A92-S96 PolarHBondContact O-OG 3.37Å; D93-S96 PolarHBondContact O-N 3.27Å; A94-S96 VanDerWaalsContact C-N 3.29Å; A94-S96 PolarHBondContact O-N 3.14Å; S96-G100 PolarHBondContact O-N 2.78Å
97	F	97.7	Very high	95.3	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-70.1	-48.9	172.8	-176	-94.6	0	0	0	111.4	V2 V27 I29 I45 Y67 W77 L86 F88 D93 A94 K99 G100 L101	V2-F97 HydrophobicContact CG1-CB 4.06Å; V2-F97 HydrophobicContact CG2-CB 4.22Å; V2-F97 HydrophobicContact CG2-CD2 3.82Å; V2-F97 HydrophobicContact CG2-CG 4.37Å; V27-F97 HydrophobicContact CG1-CD2 4.45Å; V27-F97 HydrophobicContact CG1-CE2 3.75Å; V27-F97 HydrophobicContact CG1-CZ 4.42Å; I29-F97 HydrophobicContact CD1-CD2 4.26Å; I29-F97 HydrophobicContact CD1-CE2 3.85Å; I29-F97 HydrophobicContact CD1-CZ 4.03Å; I29-F97 HydrophobicContact CG1-CD2 4.29Å; I29-F97 HydrophobicContact CG1-CE2 3.65Å; I29-F97 HydrophobicContact CG1-CZ 4.11Å; I45-F97 HydrophobicContact CD1-CZ 4.18Å; I45-F97 HydrophobicContact CG1-CZ 4.35Å; I45-F97 HydrophobicContact CG2-CE2 4.26Å; I45-F97 HydrophobicContact CG2-CZ 3.98Å; Y67-F97 HydrophobicContact CE2-CD1 4.41Å; Y67-F97 HydrophobicContact CE2-CE1 4.08Å; Y67-F97 WeakPolarHBondContact OH-CD1 3.42Å; W77-F97 HydrophobicContact CH2-CE1 4.34Å; W77-F97 HydrophobicContact CH2-CZ 4.19Å; W77-F97 HydrophobicContact CZ3-CE1 4.07Å; W77-F97 HydrophobicContact CZ3-CZ 4.39Å; L86-F97 HydrophobicContact CD1-CD1 4.18Å; L86-F97 HydrophobicContact CD1-CD2 4.34Å; L86-F97 HydrophobicContact CD1-CE1 3.84Å; L86-F97 HydrophobicContact CD1-CE2 4.03Å; L86-F97 HydrophobicContact CD1-CG 4.4Å; L86-F97 HydrophobicContact CD1-CZ 3.76Å; F88-F97 HydrophobicContact CE1-CB 3.64Å; F88-F97 HydrophobicContact CE1-CD1 4.25Å; F88-F97 AromaticContact CE1-CG 3.89Å; F88-F97 HydrophobicContact CE1-CG 3.89Å; F88-F97 HydrophobicContact CZ-CB 3.91Å; F88-F97 AromaticContact CZ-CD1 3.87Å; F88-F97 HydrophobicContact CZ-CD1 3.87Å; F88-F97 AromaticContact CZ-CG 3.98Å; F88-F97 HydrophobicContact CZ-CG 3.98Å; D93-F97 PolarHBondContact O-N 2.92Å; A94-F97 PolarHBondContact O-N 3.27Å; F97-K99 PolarHBondContact O-N 3.19Å; F97-G100 WeakPolarHBondContact O-CA 3.35Å; F97-G100 PolarHBondContact O-N 2.97Å; F97-L101 HydrophobicContact CE1-CD2 4.32Å; F97-L101 PolarHBondContact O-N 3.4Å
98	E	96.4	Very high	94.8	Very high	50 Å²	50	44.6 Å²	44.6	23%	0.234	24%	0.24	C	C	.	.	H	α-helix	trans	-52.1	-52.2	177.6	-177.9	-163	139.2	0	0	112	Y67 K69 A94 G100 L101 Q102	Y67-E98 HydrophobicContact CE1-CB 4.32Å; Y67-E98 HydrophobicContact CE1-CG 4.09Å; K69-E98 VanDerWaalsContact CE-CD 3.45Å; K69-E98 VanDerWaalsContact CE-OE2 3.26Å; K69-E98 WeakPolarHBondContact CE-OE2 3.38Å; K69-E98 IonicContact NZ-OE1 2.78Å; K69-E98 PolarHBondContact NZ-OE1 2.92Å; K69-E98 IonicContact NZ-OE2 2.78Å; K69-E98 PolarHBondContact NZ-OE2 2.93Å; A94-E98 WeakPolarHBondContact O-CB 3.43Å; A94-E98 PolarHBondContact O-N 3.09Å; E98-G100 PolarHBondContact O-N 2.87Å; E98-L101 PolarHBondContact O-N 3.26Å; E98-Q102 PolarHBondContact O-N 3.26Å
99	K	95.8	Very high	94	Very high	126 Å²	126	48.4 Å²	48.4	55%	0.548	26%	0.261	S	S	.	.	H	α-helix	trans	-58.3	-36.9	177.6	-73.5	172.1	179.4	175.6	0	112.6	I95 F97 T103	I95-K99 HydrophobicContact CG2-CD 4.14Å; I95-K99 WeakPolarHBondContact O-CG 3.33Å; I95-K99 PolarHBondContact O-N 3.03Å; I95-K99 VanDerWaalsContact O-N 3.09Å; F97-K99 PolarHBondContact O-N 3.19Å; K99-T103 WeakPolarHBondContact O-CB 3.42Å; K99-T103 PolarHBondContact O-N 2.9Å; K99-T103 VanDerWaalsContact O-N 3.09Å; K99-T103 PolarHBondContact O-OG1 3.09Å
100	G	95.6	Very high	93.1	Very high	30 Å²	30	53.6 Å²	53.6	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-41	175.6	0	0	0	0	0	112.3	S96 F97 E98 V104	S96-G100 PolarHBondContact O-N 2.78Å; F97-G100 WeakPolarHBondContact O-CA 3.35Å; F97-G100 PolarHBondContact O-N 2.97Å; E98-G100 PolarHBondContact O-N 2.87Å; G100-V104 PolarHBondContact O-N 3.05Å
101	L	95.4	Very high	91.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-68.5	-47.2	178	-174.5	60.8	0	0	0	111.4	I29 I45 V61 L65 Y67 F97 E98 T103 V104 L105	I29-L101 HydrophobicContact CD1-CB 3.76Å; I29-L101 HydrophobicContact CD1-CD1 4.16Å; I45-L101 HydrophobicContact CD1-CD1 4.22Å; V61-L101 HydrophobicContact CG1-CD1 3.89Å; V61-L101 HydrophobicContact CG2-CD1 4.16Å; L65-L101 HydrophobicContact CD2-CD1 4.04Å; L65-L101 HydrophobicContact CD2-CD2 4.09Å; L65-L101 HydrophobicContact CD2-CG 4.49Å; Y67-L101 HydrophobicContact CD1-CD2 4.45Å; Y67-L101 HydrophobicContact CD2-CD2 3.28Å; Y67-L101 HydrophobicContact CE2-CD2 3.53Å; Y67-L101 HydrophobicContact CG-CD2 3.78Å; F97-L101 HydrophobicContact CE1-CD2 4.32Å; F97-L101 PolarHBondContact O-N 3.4Å; E98-L101 PolarHBondContact O-N 3.26Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 2.71Å; L101-V104 CarbonylContact O-C 3.51Å; L101-V104 WeakPolarHBondContact O-CA 3.46Å; L101-V104 WeakPolarHBondContact O-CB 3.21Å; L101-V104 PolarHBondContact O-N 3.33Å; L101-L105 HydrophobicContact CG-CD1 4.21Å; L101-L105 WeakPolarHBondContact O-CG 3.47Å; L101-L105 PolarHBondContact O-N 3.12Å
102	Q	94.6	Very high	88.8	Confident	97 Å²	97	57.9 Å²	57.9	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-57.9	-44.8	175.9	-168.9	63.2	48.8	0	0	111.6	E98 V104 L105 D106	E98-Q102 PolarHBondContact O-N 3.26Å; Q102-V104 PolarHBondContact O-N 3.35Å; Q102-V104 VanDerWaalsContact O-N 3.12Å; Q102-L105 PolarHBondContact O-N 3.29Å; Q102-L105 VanDerWaalsContact O-N 3.12Å; Q102-D106 PolarHBondContact NE2-OD1 3.19Å; Q102-D106 PolarHBondContact O-N 3.29Å
103	T	93.5	Very high	86.1	Confident	68 Å²	68	62.1 Å²	62.1	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-59	-26.3	175.6	-59	0	0	0	0	112.9	K99 L101 K107	K99-T103 WeakPolarHBondContact O-CB 3.42Å; K99-T103 PolarHBondContact O-N 2.9Å; K99-T103 VanDerWaalsContact O-N 3.09Å; K99-T103 PolarHBondContact O-OG1 3.09Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 2.71Å; T103-K107 VanDerWaalsContact O-CD 3.25Å; T103-K107 WeakPolarHBondContact O-CD 3.49Å; T103-K107 WeakPolarHBondContact O-CG 3.33Å
104	V	93.2	Very high	83.4	Confident	12 Å²	12	65.1 Å²	65.1	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-82.9	-43.5	175.5	161.2	0	0	0	0	111.3	I29 Y43 V61 G100 L101 Q102 K107 L108	I29-V104 HydrophobicContact CG2-CG2 3.96Å; Y43-V104 VanDerWaalsContact CB-CG1 3.48Å; Y43-V104 HydrophobicContact CD1-CB 4.42Å; Y43-V104 HydrophobicContact CD1-CG1 3.89Å; Y43-V104 HydrophobicContact CD1-CG2 3.67Å; Y43-V104 HydrophobicContact CD2-CG1 3.62Å; Y43-V104 HydrophobicContact CE1-CG1 4.48Å; Y43-V104 HydrophobicContact CE1-CG2 3.88Å; Y43-V104 HydrophobicContact CE2-CG1 4.22Å; Y43-V104 HydrophobicContact CG-CB 4.38Å; Y43-V104 HydrophobicContact CG-CG1 3.4Å; Y43-V104 VanDerWaalsContact CG-CG1 3.4Å; Y43-V104 HydrophobicContact CG-CG2 4.1Å; V61-V104 HydrophobicContact CB-CG1 4.26Å; V61-V104 HydrophobicContact CG1-CG1 3.86Å; G100-V104 PolarHBondContact O-N 3.05Å; L101-V104 CarbonylContact O-C 3.51Å; L101-V104 WeakPolarHBondContact O-CA 3.46Å; L101-V104 WeakPolarHBondContact O-CB 3.21Å; L101-V104 PolarHBondContact O-N 3.33Å; Q102-V104 PolarHBondContact O-N 3.35Å; Q102-V104 VanDerWaalsContact O-N 3.12Å; V104-K107 WeakPolarHBondContact O-CB 3.4Å; V104-K107 PolarHBondContact O-N 3.15Å; V104-L108 HydrophobicContact CG1-CD1 4.03Å; V104-L108 WeakPolarHBondContact O-CG 3.46Å; V104-L108 PolarHBondContact O-N 3.45Å
105	L	91.9	Very high	80.4	Confident	15 Å²	15	73.9 Å²	73.9	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-48.2	175.6	-65.4	171.5	0	0	0	111.1	V61 Q62 L65 L101 Q102 K107 L108 D109	V61-L105 HydrophobicContact CG1-CD2 3.77Å; Q62-L105 WeakPolarHBondContact O-CD2 3.47Å; L65-L105 HydrophobicContact CB-CD2 3.9Å; L101-L105 HydrophobicContact CG-CD1 4.21Å; L101-L105 WeakPolarHBondContact O-CG 3.47Å; L101-L105 PolarHBondContact O-N 3.12Å; Q102-L105 PolarHBondContact O-N 3.29Å; Q102-L105 VanDerWaalsContact O-N 3.12Å; L105-K107 PolarHBondContact O-N 2.96Å; L105-K107 VanDerWaalsContact O-N 3.14Å; L105-L108 HydrophobicContact CD2-CD1 4.45Å; L105-L108 CarbonylContact O-C 3.51Å; L105-L108 WeakPolarHBondContact O-CA 3.43Å; L105-L108 WeakPolarHBondContact O-CB 3.43Å; L105-L108 PolarHBondContact O-N 3.21Å; L105-D109 PolarHBondContact O-N 3.27Å
106	D	90.6	Very high	77.5	Confident	70 Å²	70	78.1 Å²	78.1	37%	0.374	43%	0.434	S	S	.	.	H	α-helix	trans	-55.4	-36.5	175.1	-64.9	-1.1	0	0	0	112.7	Q102 R110	Q102-D106 PolarHBondContact NE2-OD1 3.19Å; Q102-D106 PolarHBondContact O-N 3.29Å; D106-R110 WeakPolarHBondContact O-CB 3.32Å; D106-R110 WeakPolarHBondContact O-CD 3.2Å; D106-R110 WeakPolarHBondContact O-CG 3.38Å; D106-R110 PolarHBondContact O-N 3.1Å; D106-R110 VanDerWaalsContact O-N 3.1Å
107	K	88.3	Confident	74.9	Confident	111 Å²	111	80.4 Å²	80.4	48%	0.483	45%	0.447	S	S	.	.	H	α-helix	trans	-78	-25.3	177.1	-74.9	173	-170	171.9	0	113.2	T103 V104 L105	T103-K107 VanDerWaalsContact O-CD 3.25Å; T103-K107 WeakPolarHBondContact O-CD 3.49Å; T103-K107 WeakPolarHBondContact O-CG 3.33Å; V104-K107 WeakPolarHBondContact O-CB 3.4Å; V104-K107 PolarHBondContact O-N 3.15Å; L105-K107 PolarHBondContact O-N 2.96Å; L105-K107 VanDerWaalsContact O-N 3.14Å
108	L	87.4	Confident	71.6	Confident	19 Å²	19	89.4 Å²	89.4	10%	0.099	49%	0.486	C	S	.	.	H	α-helix	trans	-74.1	-45.2	170.9	-74	166.6	0	0	0	109.4	Y43 V61 R63 V104 L105	Y43-L108 HydrophobicContact CD2-CD1 4.31Å; Y43-L108 HydrophobicContact CD2-CD2 3.96Å; Y43-L108 HydrophobicContact CD2-CG 4.02Å; Y43-L108 HydrophobicContact CE2-CD2 4.24Å; Y43-L108 HydrophobicContact CE2-CG 4.25Å; V61-L108 HydrophobicContact CB-CD1 4.39Å; V61-L108 HydrophobicContact CG1-CD1 3.91Å; V61-L108 WeakPolarHBondContact O-CD1 3.07Å; R63-L108 HydrophobicContact CG-CB 3.88Å; R63-L108 PolarHBondContact NE-O 3.08Å; R63-L108 PolarHBondContact NH2-O 3.36Å; V104-L108 HydrophobicContact CG1-CD1 4.03Å; V104-L108 WeakPolarHBondContact O-CG 3.46Å; V104-L108 PolarHBondContact O-N 3.45Å; L105-L108 HydrophobicContact CD2-CD1 4.45Å; L105-L108 CarbonylContact O-C 3.51Å; L105-L108 WeakPolarHBondContact O-CA 3.43Å; L105-L108 WeakPolarHBondContact O-CB 3.43Å; L105-L108 PolarHBondContact O-N 3.21Å
109	D	82.6	Confident	68.7	Low	85 Å²	85	95.5 Å²	95.5	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-72	-36.2	-175	-67.8	-26.1	0	0	0	113.8	R63 L105 G111	R63-D109 WeakPolarHBondContact CD-OD1 3.19Å; R63-D109 VanDerWaalsContact CG-OD1 3.27Å; R63-D109 WeakPolarHBondContact CG-OD1 3.39Å; R63-D109 IonicContact NE-OD1 2.88Å; R63-D109 PolarHBondContact NH2-O 3.45Å; L105-D109 PolarHBondContact O-N 3.27Å; D109-G111 PolarHBondContact O-N 3.25Å
110	R	77.8	Confident	65.7	Low	204 Å²	204	94.2 Å²	94.2	77%	0.77	53%	0.528	S	S	*	.	S	Bend	trans	-71.4	60	169.3	-67.5	171.6	179.9	-88.3	-1.3	111.9	D106 T112	D106-R110 WeakPolarHBondContact O-CB 3.32Å; D106-R110 WeakPolarHBondContact O-CD 3.2Å; D106-R110 WeakPolarHBondContact O-CG 3.38Å; D106-R110 PolarHBondContact O-N 3.1Å; D106-R110 VanDerWaalsContact O-N 3.1Å; R110-T112 PolarHBondContact O-N 2.81Å
111	G	58	Low	62.6	Low	43 Å²	43	99.4 Å²	99.4	44%	0.443	55%	0.548	S	S	.	.			trans	-47.1	130.4	-175.3	0	0	0	0	0	111.8	R63 D109	R63-G111 VanDerWaalsContact NH2-CA 3.29Å; D109-G111 PolarHBondContact O-N 3.25Å
112	T	43.4	Very low	59.7	Low	115 Å²	115	105.9 Å²	105.9	71%	0.706	59%	0.588	S	S	*	*			trans	-30.7	112.4	-176	-54.5	0	0	0	0	113.9	R110 A114	R110-T112 PolarHBondContact O-N 2.81Å; T112-A114 PolarHBondContact O-N 2.81Å
113	P	38.7	Very low	56.8	Low	106 Å²	106	110.2 Å²	110.2	69%	0.688	61%	0.608	S	S	*	*			trans	-62.7	126.3	150.9	-5.6	21.5	0	0	0	106.5	Q115	P113-Q115 PolarHBondContact O-N 3.5Å
114	A	39.6	Very low	53.8	Low	94 Å²	94	114.8 Å²	114.8	78%	0.777	63%	0.63	S	S	*	*			trans	-57.1	129.1	177.2	0	0	0	0	0	110.2	T112	T112-A114 PolarHBondContact O-N 2.81Å
115	Q	34.1	Very low	50.9	Low	184 Å²	184	120.9 Å²	120.9	86%	0.86	66%	0.663	S	S	*	*			trans	-134.1	92.1	168.7	-75.7	-165.9	-24.3	0	0	109.7	P113	P113-Q115 PolarHBondContact O-N 3.5Å
116	T	35.6	Very low	48.1	Very low	130 Å²	130	123.7 Å²	123.7	80%	0.798	70%	0.695	S	S	*	*			trans	-128.2	157.5	150.4	43.9	0	0	0	0	105.6
117	P	41.8	Very low	45.2	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	72%	0.717	S	S	*	*			cis	-106.5	176.9	13	13.7	11.5	0	0	0	112
118	K	30	Very low	42.4	Very low	197 Å²	197	128.3 Å²	128.3	86%	0.857	73%	0.733	S	S	*	*			cis	-147.6	143.9	43.5	-67.6	178	173.8	-172.9	0	113.8
119	E	35	Very low	39.8	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	77%	0.767	S	S	*	*			trans	-74.9	148.4	150.4	-67.2	161.7	156.4	0	0	109.6
120	A	32.2	Very low	37.3	Very low	100 Å²	100	142 Å²	142	83%	0.826	78%	0.784	S	S	*	*			trans	-165.3	103.7	155.1	0	0	0	0	0	106.7
121	D	31.3	Very low	35.1	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	79%	0.787	S	S	*	*			trans	-73.2	149.4	-177.1	-47.7	-78	0	0	0	111.8
122	T	33.8	Very low	33.6	Very low	139 Å²	139	146.6 Å²	146.6	85%	0.853	81%	0.805	S	S	*	*			trans	-149.7	114.1	136.4	-55.7	0	0	0	0	107.8
123	E	34.2	Very low	32.9	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.874	81%	0.809	S	S	*	*			trans	-75.4	138.3	165.1	-60.1	171.9	132.4	0	0	108.4
124	D	29.9	Very low	32.3	Very low	165 Å²	165	154 Å²	154	88%	0.882	81%	0.814	S	S	*	*			trans	-136	123.6	159.4	-175.4	30.7	0	0	0	107.8
125	D	32.5	Very low	31.9	Very low	140 Å²	140	154.5 Å²	154.5	75%	0.749	81%	0.811	S	S	*	*			trans	-113.4	102.2	-164.6	-163.2	0.2	0	0	0	110.1
126	G	32.5	Very low	31.7	Very low	73 Å²	73	154.6 Å²	154.6	75%	0.753	81%	0.812	S	S	*	*			trans	-113.2	68.4	-174	0	0	0	0	0	112.2	A128	G126-A128 PolarHBondContact O-N 3Å
127	Q	31.3	Very low	31.3	Very low	179 Å²	179	153.3 Å²	153.3	84%	0.836	81%	0.808	S	S	*	*			trans	-64	112.5	-166.3	-150	174.9	27.6	0	0	114.3
128	A	28.9	Very low	30.6	Very low	99 Å²	99	153.1 Å²	153.1	82%	0.818	81%	0.81	S	S	*	*			trans	-87.2	123.1	173.3	0	0	0	0	0	112.1	G126	G126-A128 PolarHBondContact O-N 3Å
129	Q	32.7	Very low	30.6	Very low	175 Å²	175	148.1 Å²	148.1	82%	0.818	80%	0.799	S	S	*	*			trans	-95.3	116.1	-171.8	-171.4	173.2	-103.6	0	0	114.1
130	R	31.1	Very low	30.3	Very low	216 Å²	216	147.3 Å²	147.3	82%	0.815	80%	0.801	S	S	*	*			trans	54.2	123.7	147.9	-63.8	178.1	178.3	-153.6	-0.2	122
131	K	30	Very low	30.1	Very low	189 Å²	189	147.3 Å²	147.3	82%	0.822	80%	0.795	S	S	*	*				47.9	103.5	130	-68.4	-173.2	171.8	-174.5	0	120.6
132	N	26.1	Very low	30.1	Very low	155 Å²	155	151.6 Å²	151.6	83%	0.829	80%	0.801	S	S	*	*				174.2	158.8	115.4	-87.6	-10.6	0	0	0	104.7
133	E	28.7	Very low	29.9	Very low	171 Å²	171	154.3 Å²	154.3	80%	0.799	80%	0.801	S	S	*	*			cis	-153.3	141.5	41.5	-81.2	-170.2	123	0	0	108.5
134	R	26.4	Very low	29.7	Very low	207 Å²	207	153.6 Å²	153.6	78%	0.781	80%	0.797	S	S	*	*				81	128.5	94.7	-161.2	176.4	-174.4	-93.5	3.2	114.5
135	S	31.8	Very low	29.6	Very low	104 Å²	104	154.8 Å²	154.8	73%	0.727	80%	0.8	S	S	*	*			trans	-62.6	144.9	173.7	-35.6	0	0	0	0	112.5
136	E	30.3	Very low	29.5	Very low	185 Å²	185	155.5 Å²	155.5	86%	0.864	80%	0.803	S	S	*	*			trans	-129	142.4	148.1	-70.6	-153.8	128.9	0	0	111
137	S	25.8	Very low	29.9	Very low	104 Å²	104	157.4 Å²	157.4	73%	0.727	80%	0.802	S	S	*	*			trans	-125.9	128.1	-177	172.1	0	0	0	0	108.6
138	S	28.1	Very low	29.9	Very low	116 Å²	116	158.6 Å²	158.6	81%	0.811	80%	0.804	S	S	*	*			trans	-170.1	118.6	152.2	29.2	0	0	0	0	107.5
139	S	30	Very low	30.2	Very low	91 Å²	91	159.2 Å²	159.2	64%	0.636	80%	0.8	S	S	*	*			cis	88.1	121.4	43	-63.6	0	0	0	0	113.5
140	N	29.6	Very low	30.1	Very low	160 Å²	160	159 Å²	159	86%	0.856	80%	0.803	S	S	*	*			trans	75.3	145.7	160.4	-59.9	-29.2	0	0	0	118.1
141	S	26.4	Very low	30	Very low	101 Å²	101	154.3 Å²	154.3	71%	0.706	80%	0.798	S	S	*	*			cis	-170.9	174.4	-15.5	178.5	0	0	0	0	108.7
142	R	32.2	Very low	30.3	Very low	228 Å²	228	153 Å²	153	86%	0.86	80%	0.799	S	S	*	*			trans	81.4	134.1	179.5	-49.7	177.1	-169.5	-153.3	1	114.3
143	K	29.7	Very low	30.3	Very low	196 Å²	196	151.7 Å²	151.7	85%	0.852	80%	0.796	S	S	*	*			cis	-151	134.9	-2.5	-136.4	177	-179.1	-175.9	0	109.3
144	E	29.5	Very low	30.4	Very low	171 Å²	171	149.4 Å²	149.4	80%	0.799	79%	0.794	S	S	*	*			trans	-66.7	154.1	166	-64.4	-173.8	109.6	0	0	111.2
145	M	28.7	Very low	30.9	Very low	190 Å²	190	145.2 Å²	145.2	94%	0.936	80%	0.796	S	S	*	*				-154.5	110.1	123.4	-100.2	-175.9	79.3	0	0	109.2
146	L	30.7	Very low	30.8	Very low	155 Å²	155	148.7 Å²	148.7	81%	0.812	80%	0.801	S	S	*	*			trans	-85.3	147.3	173	-168.3	67.8	0	0	0	109.5
147	P	40.8	Very low	30.8	Very low	113 Å²	113	145.1 Å²	145.1	73%	0.734	80%	0.796	S	S	*	*			trans	-86.3	167.5	-169.2	32.1	-31.4	0	0	0	113.8
148	K	30.9	Very low	30.9	Very low	204 Å²	204	145.1 Å²	145.1	89%	0.887	80%	0.797	S	S	*	*			trans	-132.6	159	172.8	-88.2	177.6	-178.8	173.7	0	111
149	P	34.9	Very low	31.1	Very low	112 Å²	112	144.7 Å²	144.7	73%	0.727	79%	0.794	S	S	*	*			trans	-105	166.6	-132.3	38.7	-37.1	0	0	0	114
150	I	30.1	Very low	31	Very low	170 Å²	170	146.3 Å²	146.3	87%	0.872	80%	0.8	S	S	*	*			trans	-115.4	126.2	156.9	-67.4	179.9	0	0	0	108.4
151	T	29.9	Very low	30.8	Very low	118 Å²	118	144.7 Å²	144.7	72%	0.724	80%	0.8	S	S	*	*			trans	-71.7	147.4	-175	16.5	0	0	0	0	112.8
152	I	35	Very low	30.8	Very low	163 Å²	163	148.6 Å²	148.6	84%	0.836	80%	0.804	S	S	*	*			trans	-75.5	125.5	157.7	-62.1	165.9	0	0	0	107.2
153	V	26.3	Very low	30.5	Very low	126 Å²	126	144.6 Å²	144.6	76%	0.764	81%	0.805	S	S	*	*			trans	-136.1	127.7	153.8	179.2	0	0	0	0	108.5
154	T	32.1	Very low	30.4	Very low	124 Å²	124	145.4 Å²	145.4	76%	0.761	80%	0.803	S	S	*	*			trans	-79.1	135.7	171.5	45.5	0	0	0	0	111.2
155	S	36.6	Very low	30.6	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	80%	0.801	S	S	*	*			trans	-155.2	144.1	150.8	57.7	0	0	0	0	110.8
156	E	29.6	Very low	30.5	Very low	177 Å²	177	142.8 Å²	142.8	83%	0.827	80%	0.798	S	S	*	*			trans	-79.3	165.8	-170.8	-55.5	166.9	93.6	0	0	113.7
157	S	29.6	Very low	30.3	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	80%	0.798	S	S	*	*			trans	63.1	143	144	-67.8	0	0	0	0	118.9
158	S	29.2	Very low	29.5	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	81%	0.807	S	S	*	*			cis	-158.7	165.1	7.3	-95.5	0	0	0	0	110.4
159	S	30.9	Very low	29.3	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	80%	0.8	S	S	*	*			trans	134.2	91.4	154.5	62.2	0	0	0	0	112.2
160	T	27.3	Very low	29	Very low	125 Å²	125	147.5 Å²	147.5	77%	0.767	81%	0.806	S	S	*	*				63.5	98.4	79.8	66.4	0	0	0	0	115.7
161	C	26.1	Very low	28.8	Very low	126 Å²	126	142.9 Å²	142.9	85%	0.851	80%	0.8	S	S	*	*			trans	-148.6	106.8	136.5	56.3	0	0	0	0	109.8
162	F	26.4	Very low	28.8	Very low	182 Å²	182	141.7 Å²	141.7	80%	0.798	80%	0.797	S	S	*	*			trans	-81.1	144.6	166.2	-77.6	-96.5	0	0	0	109.1
163	V	25.4	Very low	28.6	Very low	145 Å²	145	138.4 Å²	138.4	88%	0.879	79%	0.789	S	S	*	*			trans	-125.3	114.6	153.4	-179.9	0	0	0	0	107.1
164	R	28.4	Very low	28.8	Very low	213 Å²	213	142 Å²	142	80%	0.804	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-98.3	158.8	166.3	-107.5	-168.1	166.5	109.4	-3.2	108.9
165	P	33.4	Very low	28.6	Very low	118 Å²	118	140.6 Å²	140.6	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-80.8	152.6	-179.5	33.7	-33.1	0	0	0	111.6
166	E	26.3	Very low	28.2	Very low	188 Å²	188	141.3 Å²	141.3	88%	0.879	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82.5	138	168.7	-70.1	-156	143.2	0	0	111.8
167	E	26.3	Very low	28	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.813	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-84.2	157.1	160.3	-61.1	-175.7	145.4	0	0	109.6
168	F	25.7	Very low	27.9	Very low	207 Å²	207	138.7 Å²	138.7	91%	0.908	79%	0.788	S	S	*	*			trans	-127.9	130.7	160.3	-139.2	-94.5	0	0	0	110.1
169	S	26.2	Very low	27.9	Very low	107 Å²	107	143 Å²	143	75%	0.748	80%	0.796	S	S	*	*			trans	-88.3	170.1	-161.8	-52.7	0	0	0	0	115
170	F	29.2	Very low	27.8	Very low	194 Å²	194	144.5 Å²	144.5	85%	0.851	80%	0.801	S	S	*	*			trans	-76	151.3	-174.9	-157.1	-97.9	0	0	0	113.6
171	G	26	Very low	28.2	Very low	73 Å²	73	144.3 Å²	144.3	75%	0.753	80%	0.802	S	S	*	*			trans	-144.1	140.2	170.9	0	0	0	0	0	110.4
172	S	28.8	Very low	28.4	Very low	94 Å²	94	142.6 Å²	142.6	66%	0.657	80%	0.797	S	S	*	*			trans	-109.8	156.6	-157.1	-166	0	0	0	0	115.6
173	S	30	Very low	28.8	Very low	94 Å²	94	143 Å²	143	66%	0.657	80%	0.801	S	S	*	*			trans	72.6	115.7	151.5	-54.7	0	0	0	0	119.5
174	H	30.4	Very low	29.3	Very low	202 Å²	202	142 Å²	142	94%	0.935	80%	0.795	S	S	*	*				-165.1	147	114.2	-100.3	-75.1	0	0	0	109.6
175	A	29	Very low	29.6	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	78%	0.782	S	S	*	*			trans	-110.1	157.4	-175.8	0	0	0	0	0	112.1
176	V	27.3	Very low	29.8	Very low	134 Å²	134	139.5 Å²	139.5	81%	0.812	78%	0.783	S	S	*	*			trans	-172.1	108.4	142.1	144.7	0	0	0	0	111.5
177	T	26.7	Very low	30.3	Very low	112 Å²	112	139.8 Å²	139.8	69%	0.687	78%	0.776	S	S	*	*				54.6	110.7	125.4	-30	0	0	0	0	123.3
178	T	26.9	Very low	30.6	Very low	119 Å²	119	138.8 Å²	138.8	73%	0.73	77%	0.771	S	S	*	*			trans	58.1	120.9	142	61.8	0	0	0	0	123.6
179	H	28.7	Very low	31.1	Very low	196 Å²	196	133.7 Å²	133.7	91%	0.907	76%	0.757	S	S	*	*				-157.4	149.7	109	31.7	-86.4	0	0	0	112.4
180	T	29.2	Very low	31.5	Very low	139 Å²	139	135.9 Å²	135.9	85%	0.853	75%	0.753	S	S	*	*			trans	-89.8	170.4	-173.4	21.9	0	0	0	0	113.3
181	P	36.8	Very low	31.8	Very low	121 Å²	121	133.9 Å²	133.9	79%	0.786	75%	0.745	S	S	*	*			trans	-93.6	154.2	-149.8	36.2	-37.3	0	0	0	115.7
182	A	29.1	Very low	32.2	Very low	90 Å²	90	138.1 Å²	138.1	74%	0.744	74%	0.743	S	S	*	*			trans	-107.5	115.6	158.8	0	0	0	0	0	110	V184	A182-V184 PolarHBondContact O-N 3.36Å
183	Q	35.7	Very low	33.1	Very low	191 Å²	191	137.3 Å²	137.3	89%	0.893	73%	0.734	S	S	*	*			trans	-65.1	117.4	167	-80.7	-85.2	-15.5	0	0	109.1
184	V	34.3	Very low	33.8	Very low	123 Å²	123	135.6 Å²	135.6	75%	0.745	72%	0.719	S	S	*	*			trans	-109.6	128.6	166.2	-179.9	0	0	0	0	108.5	A182 K186	A182-V184 PolarHBondContact O-N 3.36Å; V184-K186 PolarHBondContact O-N 3.32Å
185	D	35.9	Very low	34.6	Very low	98 Å²	98	129.8 Å²	129.8	52%	0.524	70%	0.698	S	S	.	*			trans	-71.8	107.8	-156.6	-167.1	-9.2	0	0	0	113.6	R187	D185-R187 PolarHBondContact O-N 2.93Å; D185-R187 VanDerWaalsContact OD1-CB 3.28Å; D185-R187 WeakPolarHBondContact OD1-CB 3.23Å; D185-R187 PolarHBondContact OD1-N 2.67Å
186	K	37.6	Very low	35.5	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.787	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-2.6	176.1	-76	-176.3	176.2	177.5	0	114.1	V184	V184-K186 PolarHBondContact O-N 3.32Å
187	R	36.9	Very low	36.5	Very low	194 Å²	194	135.2 Å²	135.2	73%	0.732	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-31.7	-177.5	-73.3	-178.3	159.6	179.7	-5	114	D185 F191	D185-R187 PolarHBondContact O-N 2.93Å; D185-R187 VanDerWaalsContact OD1-CB 3.28Å; D185-R187 WeakPolarHBondContact OD1-CB 3.23Å; D185-R187 PolarHBondContact OD1-N 2.67Å; R187-F191 WeakPolarHBondContact O-CD2 3.27Å
188	Q	33.1	Very low	37.8	Very low	153 Å²	153	135.1 Å²	135.1	72%	0.715	68%	0.683	S	S	*	*	H	α-helix	trans	-78.1	-24.4	-173.9	-78.4	179.4	-19.7	0	0	114.6	F190	Q188-F190 VanDerWaalsContact C-N 3.33Å; Q188-F190 PolarHBondContact O-N 2.92Å
189	T	36.1	Very low	39	Very low	100 Å²	100	133.2 Å²	133.2	61%	0.613	67%	0.672	S	S	*	*	H	α-helix	trans	-77	-16.5	178.8	-16.7	0	0	0	0	113.8	T193	T189-T193 PolarHBondContact O-OG1 3.36Å
190	F	34.9	Very low	40.2	Very low	152 Å²	152	127 Å²	127	67%	0.667	65%	0.649	S	S	*	*	H	α-helix	trans	-86.2	-22	-176.9	-123.7	-92.5	0	0	0	114.1	Q188 T194	Q188-F190 VanDerWaalsContact C-N 3.33Å; Q188-F190 PolarHBondContact O-N 2.92Å; F190-T194 PolarHBondContact O-OG1 2.87Å
191	F	33.6	Very low	41.4	Very low	153 Å²	153	124.3 Å²	124.3	67%	0.671	63%	0.628	S	S	*	*	H	α-helix	trans	-83.5	-25	178.4	-76.6	-79.9	0	0	0	113.6	R187 T195	R187-F191 WeakPolarHBondContact O-CD2 3.27Å; F191-T195 PolarHBondContact O-OG1 2.85Å
192	F	35.9	Very low	42.3	Very low	162 Å²	162	123.8 Å²	123.8	71%	0.711	62%	0.619	S	S	*	*	H	α-helix	trans	-82.2	-23.6	177.4	-94	-84.5	0	0	0	114.1
193	T	46	Very low	43.3	Very low	76 Å²	76	124.9 Å²	124.9	47%	0.466	61%	0.608	S	S	.	*	H	α-helix	trans	-89.9	-28.6	-178.8	51.4	0	0	0	0	113.4	T189	T189-T193 PolarHBondContact O-OG1 3.36Å
194	T	44.8	Very low	44.1	Very low	59 Å²	59	120.3 Å²	120.3	36%	0.362	59%	0.588	S	S	.	*	H	α-helix	trans	-74.2	-43.9	178.2	44.1	0	0	0	0	112	F190 L198	F190-T194 PolarHBondContact O-OG1 2.87Å; T194-L198 WeakPolarHBondContact O-CB 3.45Å; T194-L198 WeakPolarHBondContact O-CD1 3.42Å; T194-L198 VanDerWaalsContact O-CG 3.22Å; T194-L198 WeakPolarHBondContact O-CG 3.5Å; T194-L198 PolarHBondContact O-N 2.79Å
195	T	48.4	Very low	45	Very low	79 Å²	79	121.7 Å²	121.7	49%	0.485	58%	0.581	S	S	.	*	H	α-helix	trans	-68.9	-37.6	-177.4	48.5	0	0	0	0	113.6	F191 W197 V199	F191-T195 PolarHBondContact O-OG1 2.85Å; T195-W197 VanDerWaalsContact C-N 3.35Å; T195-W197 PolarHBondContact O-N 2.75Å; T195-V199 WeakPolarHBondContact O-CG2 3.26Å
196	F	47.5	Very low	45.8	Very low	155 Å²	155	120.8 Å²	120.8	68%	0.68	58%	0.579	S	S	*	*	H	α-helix	trans	-72.1	-22.8	-175.7	-129.6	-94.5	0	0	0	114.7	P200	F196-P200 WeakPolarHBondContact O-CD 3.33Å; F196-P200 WeakPolarHBondContact O-CG 3.45Å
197	W	49.2	Very low	46.5	Very low	186 Å²	186	119.7 Å²	119.7	71%	0.705	57%	0.574	S	S	*	*	H	α-helix	trans	-106.4	-28	-179	-66.6	98.2	0	0	0	113.8	T195 P200 L201	T195-W197 VanDerWaalsContact C-N 3.35Å; T195-W197 PolarHBondContact O-N 2.75Å; W197-P200 WeakPolarHBondContact O-CD 3.26Å; W197-L201 WeakPolarHBondContact O-CG 3.5Å; W197-L201 PolarHBondContact O-N 2.96Å
198	L	52.6	Low	47.1	Very low	110 Å²	110	116.1 Å²	116.1	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-68.4	-35.4	174.3	-73	171.6	0	0	0	112.6	T194 L201 L202	T194-L198 WeakPolarHBondContact O-CB 3.45Å; T194-L198 WeakPolarHBondContact O-CD1 3.42Å; T194-L198 VanDerWaalsContact O-CG 3.22Å; T194-L198 WeakPolarHBondContact O-CG 3.5Å; T194-L198 PolarHBondContact O-N 2.79Å; L198-L201 PolarHBondContact O-N 2.76Å; L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.42Å; L198-L202 PolarHBondContact O-N 2.83Å
199	V	53.6	Low	47.7	Very low	80 Å²	80	111.9 Å²	111.9	49%	0.485	56%	0.556	S	S	.	*	H	α-helix	trans	-65.7	-47.7	179.1	174.3	0	0	0	0	112.2	T195 L201 L202 Q203	T195-V199 WeakPolarHBondContact O-CG2 3.26Å; V199-L201 PolarHBondContact O-N 2.87Å; V199-L202 PolarHBondContact O-N 2.87Å; V199-Q203 HydrophobicContact CG1-CG 4.35Å; V199-Q203 VanDerWaalsContact O-CB 3.29Å; V199-Q203 WeakPolarHBondContact O-CB 3.22Å; V199-Q203 VanDerWaalsContact O-CG 3.31Å; V199-Q203 WeakPolarHBondContact O-CG 3.43Å; V199-Q203 PolarHBondContact O-N 3.12Å
200	P	53.2	Low	47.9	Very low	66 Å²	66	108.4 Å²	108.4	43%	0.429	54%	0.539	S	S	.	.	H	α-helix	trans	-60.1	-39.4	171.6	-26.6	35.2	0	0	0	114	F196 W197 Q203 M204	F196-P200 WeakPolarHBondContact O-CD 3.33Å; F196-P200 WeakPolarHBondContact O-CG 3.45Å; W197-P200 WeakPolarHBondContact O-CD 3.26Å; P200-Q203 PolarHBondContact O-N 3.1Å; P200-M204 VanDerWaalsContact O-CB 3.24Å; P200-M204 WeakPolarHBondContact O-CB 3.2Å; P200-M204 PolarHBondContact O-N 2.82Å
201	L	53.7	Low	48.1	Very low	81 Å²	81	109.6 Å²	109.6	42%	0.424	54%	0.541	S	S	.	.	H	α-helix	trans	-66.4	-43	177.6	-78.9	166.7	0	0	0	112	W197 L198 V199 M204 Y205	W197-L201 WeakPolarHBondContact O-CG 3.5Å; W197-L201 PolarHBondContact O-N 2.96Å; L198-L201 PolarHBondContact O-N 2.76Å; V199-L201 PolarHBondContact O-N 2.87Å; L201-M204 HydrophobicContact CD2-CE 4.14Å; L201-M204 PolarHBondContact O-N 2.81Å; L201-Y205 WeakPolarHBondContact O-CB 3.26Å; L201-Y205 PolarHBondContact O-N 3.03Å
202	L	55.7	Low	48.4	Very low	111 Å²	111	106.2 Å²	106.2	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-70.7	-36.1	176.5	-170	66	0	0	0	112.1	L198 V199 Y205 T206	L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.42Å; L198-L202 PolarHBondContact O-N 2.83Å; V199-L202 PolarHBondContact O-N 2.87Å; L202-Y205 HydrophobicContact CD1-CD1 4.4Å; L202-T206 WeakPolarHBondContact O-CB 3.36Å; L202-T206 WeakPolarHBondContact O-CG2 3.27Å; L202-T206 PolarHBondContact O-N 2.87Å; L202-T206 PolarHBondContact O-OG1 2.85Å
203	Q	50.9	Low	48.6	Very low	113 Å²	113	101 Å²	101	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-67.2	-35.2	171.3	-77.4	-174.2	-7.2	0	0	112.5	V199 P200 T206 K207	V199-Q203 HydrophobicContact CG1-CG 4.35Å; V199-Q203 VanDerWaalsContact O-CB 3.29Å; V199-Q203 WeakPolarHBondContact O-CB 3.22Å; V199-Q203 VanDerWaalsContact O-CG 3.31Å; V199-Q203 WeakPolarHBondContact O-CG 3.43Å; V199-Q203 PolarHBondContact O-N 3.12Å; P200-Q203 PolarHBondContact O-N 3.1Å; Q203-T206 WeakPolarHBondContact CA-OG1 3.44Å; Q203-T206 PolarHBondContact O-OG1 3.31Å; Q203-K207 VanDerWaalsContact O-CB 3.24Å; Q203-K207 WeakPolarHBondContact O-CB 3.4Å; Q203-K207 VanDerWaalsContact O-CG 3.3Å; Q203-K207 WeakPolarHBondContact O-CG 3.17Å; Q203-K207 PolarHBondContact O-N 2.72Å
204	M	51.4	Low	48.2	Very low	95 Å²	95	102.2 Å²	102.2	47%	0.468	53%	0.527	S	S	.	.	H	α-helix	trans	-70.3	-44.6	174.2	-171.8	178.9	72.9	0	0	110.8	P200 L201 K207 L208	P200-M204 VanDerWaalsContact O-CB 3.24Å; P200-M204 WeakPolarHBondContact O-CB 3.2Å; P200-M204 PolarHBondContact O-N 2.82Å; L201-M204 HydrophobicContact CD2-CE 4.14Å; L201-M204 PolarHBondContact O-N 2.81Å; M204-K207 PolarHBondContact O-N 2.92Å; M204-L208 HydrophobicContact CG-CD1 3.93Å; M204-L208 WeakPolarHBondContact O-CB 3.49Å; M204-L208 WeakPolarHBondContact O-CD1 3.25Å; M204-L208 VanDerWaalsContact O-CG 3.26Å; M204-L208 WeakPolarHBondContact O-CG 3.38Å; M204-L208 PolarHBondContact O-N 3.17Å
205	Y	53.3	Low	48.1	Very low	152 Å²	152	102.6 Å²	102.6	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-58.7	-50.6	174.6	178.7	-100.6	0	0	0	111.8	L201 L202 K207 L208 C209	L201-Y205 WeakPolarHBondContact O-CB 3.26Å; L201-Y205 PolarHBondContact O-N 3.03Å; L202-Y205 HydrophobicContact CD1-CD1 4.4Å; Y205-K207 PolarHBondContact O-N 2.92Å; Y205-L208 PolarHBondContact O-N 2.91Å; Y205-C209 PolarHBondContact O-N 3.37Å
206	T	52.9	Low	47.7	Very low	79 Å²	79	105.5 Å²	105.5	49%	0.485	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-33.9	177.5	49.7	0	0	0	0	113	L202 Q203 G210	L202-T206 WeakPolarHBondContact O-CB 3.36Å; L202-T206 WeakPolarHBondContact O-CG2 3.27Å; L202-T206 PolarHBondContact O-N 2.87Å; L202-T206 PolarHBondContact O-OG1 2.85Å; Q203-T206 WeakPolarHBondContact CA-OG1 3.44Å; Q203-T206 PolarHBondContact O-OG1 3.31Å; T206-G210 WeakPolarHBondContact O-CA 3.12Å; T206-G210 PolarHBondContact O-N 2.91Å
207	K	52.3	Low	47.1	Very low	158 Å²	158	105.4 Å²	105.4	69%	0.687	54%	0.536	S	S	*	.	H	α-helix	trans	-67.6	-37.6	170.3	-81.1	-178.7	176.6	177.9	0	112.6	Q203 M204 Y205 Y211	Q203-K207 VanDerWaalsContact O-CB 3.24Å; Q203-K207 WeakPolarHBondContact O-CB 3.4Å; Q203-K207 VanDerWaalsContact O-CG 3.3Å; Q203-K207 WeakPolarHBondContact O-CG 3.17Å; Q203-K207 PolarHBondContact O-N 2.72Å; M204-K207 PolarHBondContact O-N 2.92Å; Y205-K207 PolarHBondContact O-N 2.92Å; K207-Y211 WeakPolarHBondContact O-CB 3.32Å; K207-Y211 PolarHBondContact O-N 3.43Å
208	L	51.1	Low	46.5	Very low	118 Å²	118	100.1 Å²	100.1	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-69.3	-48.9	177.8	-74.4	164.3	0	0	0	111.6	M204 Y205 G210 Y211 S212	M204-L208 HydrophobicContact CG-CD1 3.93Å; M204-L208 WeakPolarHBondContact O-CB 3.49Å; M204-L208 WeakPolarHBondContact O-CD1 3.25Å; M204-L208 VanDerWaalsContact O-CG 3.26Å; M204-L208 WeakPolarHBondContact O-CG 3.38Å; M204-L208 PolarHBondContact O-N 3.17Å; Y205-L208 PolarHBondContact O-N 2.91Å; L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 3.1Å; L208-Y211 PolarHBondContact O-N 3.47Å; L208-S212 PolarHBondContact O-N 3.02Å
209	C	45.5	Very low	45.9	Very low	65 Å²	65	100.9 Å²	100.9	44%	0.439	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-41.4	172.6	-68.3	0	0	0	0	112	Y205 Y211 S212 A213	Y205-C209 PolarHBondContact O-N 3.37Å; C209-Y211 PolarHBondContact O-N 3.3Å; C209-S212 WeakPolarHBondContact O-CB 3.43Å; C209-S212 PolarHBondContact O-N 3.31Å; C209-A213 PolarHBondContact O-N 3.28Å; C209-A213 VanDerWaalsContact O-N 3.17Å
210	G	40.1	Very low	44.9	Very low	26 Å²	26	103.8 Å²	103.8	27%	0.268	53%	0.531	S	S	.	.	H	α-helix	trans	-69.5	-27.8	178.7	0	0	0	0	0	114.3	T206 L208 N214	T206-G210 WeakPolarHBondContact O-CA 3.12Å; T206-G210 PolarHBondContact O-N 2.91Å; L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 3.1Å; G210-N214 WeakPolarHBondContact O-CB 3.46Å; G210-N214 PolarHBondContact O-N 2.97Å; G210-N214 PolarHBondContact O-ND2 2.83Å
211	Y	37.6	Very low	44.1	Very low	178 Å²	178	110.1 Å²	110.1	70%	0.698	55%	0.547	S	S	*	.	H	α-helix	trans	-68.5	-41.4	172.2	-139.9	-100.6	0	0	0	110.4	K207 L208 C209 N214 V215	K207-Y211 WeakPolarHBondContact O-CB 3.32Å; K207-Y211 PolarHBondContact O-N 3.43Å; L208-Y211 PolarHBondContact O-N 3.47Å; C209-Y211 PolarHBondContact O-N 3.3Å; Y211-N214 PolarHBondContact O-N 3.23Å; Y211-V215 HydrophobicContact CD1-CG2 3.89Å; Y211-V215 HydrophobicContact CE1-CG2 4.14Å; Y211-V215 WeakPolarHBondContact O-CB 3.3Å; Y211-V215 VanDerWaalsContact O-CG2 3.22Å; Y211-V215 WeakPolarHBondContact O-CG2 3.18Å; Y211-V215 PolarHBondContact O-N 2.96Å
212	S	41.4	Very low	43.4	Very low	81 Å²	81	110.5 Å²	110.5	57%	0.566	55%	0.549	S	S	*	.	H	α-helix	trans	-59.6	-53.7	176	-163.1	0	0	0	0	111.8	L208 C209 N214 V215 E216	L208-S212 PolarHBondContact O-N 3.02Å; C209-S212 WeakPolarHBondContact O-CB 3.43Å; C209-S212 PolarHBondContact O-N 3.31Å; S212-N214 VanDerWaalsContact C-N 3.26Å; S212-N214 PolarHBondContact O-N 2.89Å; S212-V215 PolarHBondContact O-N 3.24Å; S212-E216 PolarHBondContact O-N 2.86Å
213	A	40.1	Very low	42.6	Very low	53 Å²	53	110 Å²	110	44%	0.438	55%	0.547	S	S	.	.	H	α-helix	trans	-62.3	-27.1	-179.1	0	0	0	0	0	114.4	C209 K217	C209-A213 PolarHBondContact O-N 3.28Å; C209-A213 VanDerWaalsContact O-N 3.17Å; A213-K217 PolarHBondContact O-N 2.89Å
214	N	37.4	Very low	41.9	Very low	101 Å²	101	111.2 Å²	111.2	54%	0.54	55%	0.551	S	S	.	*	H	α-helix	trans	-88	-32.6	175.4	-76.2	-67.2	0	0	0	113.1	G210 Y211 S212 E216 T218	G210-N214 WeakPolarHBondContact O-CB 3.46Å; G210-N214 PolarHBondContact O-N 2.97Å; G210-N214 PolarHBondContact O-ND2 2.83Å; Y211-N214 PolarHBondContact O-N 3.23Å; S212-N214 VanDerWaalsContact C-N 3.26Å; S212-N214 PolarHBondContact O-N 2.89Å; N214-E216 VanDerWaalsContact C-N 3.33Å; N214-T218 VanDerWaalsContact O-CB 3.27Å; N214-T218 WeakPolarHBondContact O-CB 3.21Å; N214-T218 PolarHBondContact O-N 2.98Å; N214-T218 PolarHBondContact O-OG1 3.41Å
215	V	41.1	Very low	41.3	Very low	68 Å²	68	109.4 Å²	109.4	41%	0.412	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-42.6	172.7	166.3	0	0	0	0	110.2	Y211 S212 T218 Q219	Y211-V215 HydrophobicContact CD1-CG2 3.89Å; Y211-V215 HydrophobicContact CE1-CG2 4.14Å; Y211-V215 WeakPolarHBondContact O-CB 3.3Å; Y211-V215 VanDerWaalsContact O-CG2 3.22Å; Y211-V215 WeakPolarHBondContact O-CG2 3.18Å; Y211-V215 PolarHBondContact O-N 2.96Å; S212-V215 PolarHBondContact O-N 3.24Å; V215-T218 PolarHBondContact O-N 2.88Å; V215-Q219 WeakPolarHBondContact O-CB 3.36Å; V215-Q219 PolarHBondContact O-N 2.86Å
216	E	41.3	Very low	40.6	Very low	139 Å²	139	109.7 Å²	109.7	65%	0.65	56%	0.555	S	S	*	*	H	α-helix	trans	-63.8	-49.2	177.4	-164.6	172.7	-145.2	0	0	111.8	S212 N214 T218 Q219 F220	S212-E216 PolarHBondContact O-N 2.86Å; N214-E216 VanDerWaalsContact C-N 3.33Å; E216-T218 VanDerWaalsContact C-N 3.29Å; E216-T218 PolarHBondContact O-N 3.19Å; E216-Q219 PolarHBondContact O-N 2.8Å; E216-F220 VanDerWaalsContact O-CB 3.32Å; E216-F220 WeakPolarHBondContact O-CB 3.32Å; E216-F220 PolarHBondContact O-N 3.25Å
217	K	34.4	Very low	39.8	Very low	153 Å²	153	113.4 Å²	113.4	67%	0.665	57%	0.567	S	S	*	*	H	α-helix	trans	-61	-34.9	174.2	-77.6	-179.1	177.8	177.4	0	113.3	A213 R221	A213-K217 PolarHBondContact O-N 2.89Å; K217-R221 VanDerWaalsContact O-CB 3.25Å; K217-R221 WeakPolarHBondContact O-CB 3.22Å; K217-R221 PolarHBondContact O-N 2.92Å
218	T	36.4	Very low	38.9	Very low	75 Å²	75	110.1 Å²	110.1	46%	0.46	56%	0.564	S	S	.	*	H	α-helix	trans	-77	-37.4	-179.8	-51.1	0	0	0	0	111.6	N214 V215 E216 N222	N214-T218 VanDerWaalsContact O-CB 3.27Å; N214-T218 WeakPolarHBondContact O-CB 3.21Å; N214-T218 PolarHBondContact O-N 2.98Å; N214-T218 PolarHBondContact O-OG1 3.41Å; V215-T218 PolarHBondContact O-N 2.88Å; E216-T218 VanDerWaalsContact C-N 3.29Å; E216-T218 PolarHBondContact O-N 3.19Å; T218-N222 WeakPolarHBondContact O-CB 3.05Å; T218-N222 PolarHBondContact O-N 3.22Å; T218-N222 PolarHBondContact O-ND2 3.38Å
219	Q	40.5	Very low	38.3	Very low	126 Å²	126	111.2 Å²	111.2	59%	0.589	57%	0.571	S	S	*	*	H	α-helix	trans	-66.2	-45.6	170.4	-83.3	-170	-42.2	0	0	111.8	V215 E216 R221 N222 N223	V215-Q219 WeakPolarHBondContact O-CB 3.36Å; V215-Q219 PolarHBondContact O-N 2.86Å; E216-Q219 PolarHBondContact O-N 2.8Å; Q219-R221 PolarHBondContact O-N 3.39Å; Q219-N222 PolarHBondContact O-N 3.16Å; Q219-N223 WeakPolarHBondContact O-CB 3.41Å; Q219-N223 PolarHBondContact O-N 3.16Å; Q219-N223 PolarHBondContact O-ND2 2.91Å
220	F	33.2	Very low	37.7	Very low	141 Å²	141	111.8 Å²	111.8	62%	0.618	58%	0.58	S	S	*	*	H	α-helix	trans	-62.6	-43.5	-179.3	-156.6	-94.5	0	0	0	111.7	E216 N223 F224	E216-F220 VanDerWaalsContact O-CB 3.32Å; E216-F220 WeakPolarHBondContact O-CB 3.32Å; E216-F220 PolarHBondContact O-N 3.25Å; F220-N223 PolarHBondContact O-N 3.22Å; F220-F224 HydrophobicContact CD1-CD2 4.06Å; F220-F224 HydrophobicContact CD1-CE2 4.26Å; F220-F224 AromaticContact CE1-CD2 3.79Å; F220-F224 HydrophobicContact CE1-CD2 3.79Å; F220-F224 AromaticContact CE1-CE2 3.52Å; F220-F224 HydrophobicContact CE1-CE2 3.52Å; F220-F224 HydrophobicContact CZ-CD2 4.39Å; F220-F224 AromaticContact CZ-CE2 3.83Å; F220-F224 HydrophobicContact CZ-CE2 3.83Å; F220-F224 PolarHBondContact O-N 3.23Å; F220-F224 VanDerWaalsContact O-N 3.1Å
221	R	35.6	Very low	37.3	Very low	200 Å²	200	117.8 Å²	117.8	76%	0.755	61%	0.606	S	S	*	*	H	α-helix	trans	-69.8	-34.7	177.2	-157.8	169.2	76.8	172.4	5.8	113	K217 Q219 A225	K217-R221 VanDerWaalsContact O-CB 3.25Å; K217-R221 WeakPolarHBondContact O-CB 3.22Å; K217-R221 PolarHBondContact O-N 2.92Å; Q219-R221 PolarHBondContact O-N 3.39Å; R221-A225 WeakPolarHBondContact O-CB 3.27Å; R221-A225 PolarHBondContact O-N 3.39Å; R221-A225 VanDerWaalsContact O-N 3.11Å
222	N	38.7	Very low	37.2	Very low	88 Å²	88	116 Å²	116	47%	0.471	61%	0.614	S	S	.	*	H	α-helix	trans	-73.6	-25.9	174.6	-73.8	-14.9	0	0	0	113.4	T218 Q219 K226	T218-N222 WeakPolarHBondContact O-CB 3.05Å; T218-N222 PolarHBondContact O-N 3.22Å; T218-N222 PolarHBondContact O-ND2 3.38Å; Q219-N222 PolarHBondContact O-N 3.16Å; N222-K226 WeakPolarHBondContact O-CG 3.41Å; N222-K226 PolarHBondContact O-N 3.15Å
223	N	39	Very low	36.5	Very low	100 Å²	100	117 Å²	117	54%	0.535	63%	0.627	S	S	.	*	H	α-helix	trans	-76.4	-43.6	174.7	-71.9	-12.8	0	0	0	111	Q219 F220 A225 K226 Q227	Q219-N223 WeakPolarHBondContact O-CB 3.41Å; Q219-N223 PolarHBondContact O-N 3.16Å; Q219-N223 PolarHBondContact O-ND2 2.91Å; F220-N223 PolarHBondContact O-N 3.22Å; N223-A225 PolarHBondContact O-N 3.49Å; N223-K226 PolarHBondContact O-N 2.89Å; N223-Q227 PolarHBondContact O-N 3.47Å; N223-Q227 VanDerWaalsContact O-N 3.15Å
224	F	36.2	Very low	36	Very low	140 Å²	140	121.9 Å²	121.9	61%	0.614	64%	0.641	S	S	*	*	H	α-helix	trans	-60.5	-43	172.7	-99.5	-87.2	0	0	0	112.7	F220 K226 Q227	F220-F224 HydrophobicContact CD1-CD2 4.06Å; F220-F224 HydrophobicContact CD1-CE2 4.26Å; F220-F224 AromaticContact CE1-CD2 3.79Å; F220-F224 HydrophobicContact CE1-CD2 3.79Å; F220-F224 AromaticContact CE1-CE2 3.52Å; F220-F224 HydrophobicContact CE1-CE2 3.52Å; F220-F224 HydrophobicContact CZ-CD2 4.39Å; F220-F224 AromaticContact CZ-CE2 3.83Å; F220-F224 HydrophobicContact CZ-CE2 3.83Å; F220-F224 PolarHBondContact O-N 3.23Å; F220-F224 VanDerWaalsContact O-N 3.1Å; F224-K226 PolarHBondContact O-N 3.39Å; F224-Q227 PolarHBondContact O-N 3.26Å
225	A	38.9	Very low	35.4	Very low	57 Å²	57	125.1 Å²	125.1	47%	0.471	65%	0.65	S	S	.	*	H	α-helix	trans	-69	-12.8	177.8	0	0	0	0	0	114.7	R221 N223	R221-A225 WeakPolarHBondContact O-CB 3.27Å; R221-A225 PolarHBondContact O-N 3.39Å; R221-A225 VanDerWaalsContact O-N 3.11Å; N223-A225 PolarHBondContact O-N 3.49Å
226	K	38	Very low	34.6	Very low	157 Å²	157	126.2 Å²	126.2	68%	0.683	67%	0.666	S	S	*	*	H	α-helix	trans	-93.1	-27.1	172.4	-80.6	-180	175.4	-176.9	0	113.1	N222 N223 F224 S228	N222-K226 WeakPolarHBondContact O-CG 3.41Å; N222-K226 PolarHBondContact O-N 3.15Å; N223-K226 PolarHBondContact O-N 2.89Å; F224-K226 PolarHBondContact O-N 3.39Å; K226-S228 VanDerWaalsContact C-N 3.34Å
227	Q	36.8	Very low	33.8	Very low	157 Å²	157	126 Å²	126	73%	0.734	67%	0.674	S	S	*	*	H	α-helix	trans	-74.5	-24.9	-179.8	-148.6	72.6	25.6	0	0	112.6	N223 F224	N223-Q227 PolarHBondContact O-N 3.47Å; N223-Q227 VanDerWaalsContact O-N 3.15Å; F224-Q227 PolarHBondContact O-N 3.26Å
228	S	34.5	Very low	33.2	Very low	89 Å²	89	123.5 Å²	123.5	62%	0.622	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-1.4	-174.6	70.4	0	0	0	0	116	K226	K226-S228 VanDerWaalsContact C-N 3.34Å
229	N	37.1	Very low	32.7	Very low	142 Å²	142	125.6 Å²	125.6	76%	0.759	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	20.6	-171.7	-81.7	-23.8	0	0	0	113.3
230	A	33.8	Very low	31.8	Very low	77 Å²	77	129.4 Å²	129.4	64%	0.636	70%	0.704	S	S	*	*			trans	-105.4	-11.7	-177.8	0	0	0	0	0	114.5
231	D	31.9	Very low	31.7	Very low	152 Å²	152	125.8 Å²	125.8	81%	0.813	71%	0.706	S	S	*	*	S	Bend	trans	-102.3	77.8	178.9	-65.8	-30.1	0	0	0	111
232	T	33.9	Very low	31.2	Very low	141 Å²	141	125.3 Å²	125.3	87%	0.865	71%	0.713	S	S	*	*			trans	165.5	103.1	148.9	-70.3	0	0	0	0	110
233	A	28.7	Very low	30.6	Very low	101 Å²	101	130.1 Å²	130.1	84%	0.835	73%	0.729	S	S	*	*			trans	-179	98	148.3	0	0	0	0	0	109.6
234	E	28.7	Very low	29.9	Very low	155 Å²	155	130.9 Å²	130.9	72%	0.724	74%	0.738	S	S	*	*			trans	-82.7	153.1	175.6	-143.9	-157.6	154.8	0	0	111.6
235	K	24.5	Very low	29.3	Very low	169 Å²	169	133.7 Å²	133.7	74%	0.735	75%	0.746	S	S	*	*			trans	54.2	116.7	159.9	-73.3	166.2	177	125.8	0	119.7
236	A	24.4	Very low	28.7	Very low	91 Å²	91	141.3 Å²	141.3	75%	0.752	76%	0.764	S	S	*	*				-172.9	116.7	112.1	0	0	0	0	0	114.3
237	T	24	Very low	28	Very low	135 Å²	135	139.5 Å²	139.5	83%	0.828	77%	0.766	S	S	*	*				57.7	94.9	128.1	-40.7	0	0	0	0	121.7
238	S	22.7	Very low	27.3	Very low	100 Å²	100	143 Å²	143	70%	0.699	77%	0.772	S	S	*	*				74.5	134.5	120.8	-153.6	0	0	0	0	123.9
239	T	25.6	Very low	27	Very low	119 Å²	119	144.3 Å²	144.3	73%	0.73	78%	0.777	S	S	*	*			trans	91.5	129.5	143.9	-5.3	0	0	0	0	122.1
240	F	22.4	Very low	26.5	Very low	206 Å²	206	148.2 Å²	148.2	90%	0.904	78%	0.781	S	S	*	*			trans	75.4	125	148.5	-128.3	-109.2	0	0	0	119
241	G	29.8	Very low	26.3	Very low	65 Å²	65	150.1 Å²	150.1	67%	0.67	79%	0.787	S	S	*	*			trans	-100.1	151.1	-169.5	0	0	0	0	0	114.7
242	Q	26.1	Very low	26.2	Very low	190 Å²	190	152.8 Å²	152.8	89%	0.888	79%	0.791	S	S	*	*			trans	-141.1	142	157.8	-82.1	-176.5	3.9	0	0	109.9	T244	Q242-T244 PolarHBondContact O-N 3Å
243	K	25	Very low	25.9	Very low	189 Å²	189	149.8 Å²	149.8	82%	0.822	79%	0.788	S	S	*	*			trans	-80.1	111.4	174.4	-73.9	176	176.6	173.1	0	109.8
244	T	24.8	Very low	25.8	Very low	117 Å²	117	155 Å²	155	72%	0.718	79%	0.792	S	S	*	*			trans	-82.4	117.4	171.5	19.6	0	0	0	0	111.5	Q242	Q242-T244 PolarHBondContact O-N 3Å
245	Y	24.7	Very low	25.7	Very low	198 Å²	198	153.3 Å²	153.3	78%	0.776	80%	0.798	S	S	*	*			trans	-86.3	123.2	164.4	-69.9	-95.5	0	0	0	109	V247	Y245-V247 PolarHBondContact O-N 3Å; Y245-V247 VanDerWaalsContact O-N 3.13Å
246	Y	24.6	Very low	25.7	Very low	218 Å²	218	153 Å²	153	86%	0.855	80%	0.803	S	S	*	*			trans	-77.7	97.4	172.9	-72	-77.1	0	0	0	110.9
247	V	24.1	Very low	25.8	Very low	118 Å²	118	158.1 Å²	158.1	72%	0.715	81%	0.808	S	S	*	*			trans	-86.9	121	164.5	178.2	0	0	0	0	108.6	Y245 T249	Y245-V247 PolarHBondContact O-N 3Å; Y245-V247 VanDerWaalsContact O-N 3.13Å; V247-T249 HydrophobicContact CG1-CG2 4.38Å; V247-T249 PolarHBondContact O-N 3.28Å
248	W	21.5	Very low	25.8	Very low	231 Å²	231	158.8 Å²	158.8	88%	0.875	81%	0.806	S	S	*	*			trans	-84.5	100.6	178	-120.4	91.1	0	0	0	110.8
249	T	28.4	Very low	25.7	Very low	117 Å²	117	162.9 Å²	162.9	72%	0.718	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-95.8	133	167.9	49.3	0	0	0	0	110.4	V247	V247-T249 HydrophobicContact CG1-CG2 4.38Å; V247-T249 PolarHBondContact O-N 3.28Å
250	R	27.6	Very low	25.7	Very low	224 Å²	224	161.5 Å²	161.5	85%	0.845	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.7	144	179.6	-66.8	-179.2	179.4	178.4	-0.6	111.1
251	P	29.8	Very low	25.8	Very low	117 Å²	117	159.1 Å²	159.1	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.4	136.4	170.1	30.4	-33.6	0	0	0	110.8
252	K	29.4	Very low	25.7	Very low	207 Å²	207	162.5 Å²	162.5	90%	0.9	81%	0.805	S	S	*	*			trans	-84.9	111.4	166.3	-76.1	-176	175.3	-179.1	0	109.1
253	G	27.3	Very low	25.8	Very low	78 Å²	78	161 Å²	161	80%	0.804	80%	0.798	S	S	*	*			trans	-68	138.5	165.8	0	0	0	0	0	110.7
254	K	27	Very low	26	Very low	212 Å²	212	158.3 Å²	158.3	92%	0.922	79%	0.792	S	S	*	*			trans	-81.2	139	179	-61.2	173.1	179.8	178.7	0	109.9
255	S	26.4	Very low	26	Very low	119 Å²	119	159.2 Å²	159.2	83%	0.832	79%	0.79	S	S	*	*			trans	-107.1	126.3	160.3	-173.9	0	0	0	0	107.8
256	L	25.2	Very low	26.2	Very low	161 Å²	161	160.6 Å²	160.6	84%	0.843	79%	0.794	S	S	*	*			trans	-75.3	135.2	169.8	-79.8	150.9	0	0	0	109.4
257	F	24.7	Very low	26.5	Very low	199 Å²	199	158.7 Å²	158.7	87%	0.873	79%	0.792	S	S	*	*			trans	-156.5	155	145.6	-122.2	-85.6	0	0	0	108.8
258	L	25	Very low	26.7	Very low	150 Å²	150	158.2 Å²	158.2	79%	0.785	80%	0.8	S	S	*	*			trans	-81.3	160.4	-156.4	-65.8	82.8	0	0	0	115.6
259	E	21.4	Very low	27.3	Very low	186 Å²	186	157 Å²	157	87%	0.869	80%	0.801	S	S	*	*			trans	-42	152.6	147.9	-99.9	105.3	173	0	0	112.2
260	A	24.3	Very low	27.8	Very low	89 Å²	89	157.4 Å²	157.4	74%	0.736	81%	0.806	S	S	*	*			cis	-159.2	-159.9	-4.9	0	0	0	0	0	107.4
261	E	25.6	Very low	27.9	Very low	156 Å²	156	150.5 Å²	150.5	73%	0.729	80%	0.804	S	S	*	*			cis	-160.6	169.7	4.9	-153.6	-161.1	-146.4	0	0	111.3
262	H	26.3	Very low	28.2	Very low	137 Å²	137	151.2 Å²	151.2	63%	0.634	81%	0.807	S	S	*	*			trans	75.4	131.2	141.7	-114.8	-160.7	0	0	0	125
263	Q	29.2	Very low	28.2	Very low	158 Å²	158	149 Å²	149	74%	0.738	81%	0.805	S	S	*	*			trans	71.5	146.8	148.8	-68.5	174	5.3	0	0	121.1
264	N	27.9	Very low	28.7	Very low	132 Å²	132	154.4 Å²	154.4	71%	0.706	81%	0.807	S	S	*	*			cis	-164.9	156.4	-30.1	-158.6	-1.1	0	0	0	109.6
265	M	25.8	Very low	29.1	Very low	136 Å²	136	152.6 Å²	152.6	67%	0.67	80%	0.801	S	S	*	*			trans	25.4	139.2	164.7	-65	-151.5	-73.8	0	0	121.2
266	R	29.2	Very low	29.4	Very low	228 Å²	228	155.4 Å²	155.4	86%	0.86	80%	0.799	S	S	*	*				-172.2	156.4	77.5	-84.9	175.6	-139.2	-151.3	3.1	114
267	H	29.4	Very low	30.1	Very low	178 Å²	178	154.9 Å²	154.9	82%	0.824	80%	0.803	S	S	*	*			trans	-31.3	143.5	178.6	-52.9	-72.6	0	0	0	122
268	A	29.7	Very low	30.6	Very low	107 Å²	107	149.4 Å²	149.4	88%	0.884	79%	0.794	S	S	*	*			trans	-151.5	154	130.1	0	0	0	0	0	110.8
269	K	33.7	Very low	31.2	Very low	205 Å²	205	152.2 Å²	152.2	89%	0.891	80%	0.8	S	S	*	*			trans	-94.8	165.7	-170.5	-94.7	-176.7	-179.4	179.6	0	113.7
270	P	38.3	Very low	31.9	Very low	126 Å²	126	151.8 Å²	151.8	82%	0.818	80%	0.798	S	S	*	*			trans	-85.3	149.7	-166.5	34.1	-36.2	0	0	0	114.2
271	G	30.1	Very low	32.8	Very low	79 Å²	79	152.4 Å²	152.4	81%	0.814	80%	0.803	S	S	*	*			trans	-122.5	109.7	166.8	0	0	0	0	0	110.5
272	T	35.4	Very low	33.6	Very low	133 Å²	133	149.8 Å²	149.8	82%	0.816	80%	0.802	S	S	*	*			trans	-73.4	133.1	175.6	47.6	0	0	0	0	111.1
273	N	30.4	Very low	34.8	Very low	160 Å²	160	148.5 Å²	148.5	86%	0.856	81%	0.808	S	S	*	*			trans	-148.5	134.9	148.1	-115	-43.2	0	0	0	113
274	F	37.8	Very low	36.1	Very low	191 Å²	191	144 Å²	144	84%	0.838	80%	0.795	S	S	*	*			trans	-102.6	104	-168.9	-169.6	-86.4	0	0	0	108.8
275	Q	35.8	Very low	37.5	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.813	79%	0.793	S	S	*	*			trans	-139.6	94	177.3	-107.7	163.2	16.1	0	0	114.1
276	K	31.4	Very low	39.6	Very low	179 Å²	179	139.6 Å²	139.6	78%	0.778	79%	0.786	S	S	*	*			trans	46.1	113.6	130.9	-64.1	179.4	178.7	177.4	0	117.5	A278	K276-A278 PolarHBondContact O-N 3.4Å
277	T	41.5	Very low	42	Very low	150 Å²	150	130.9 Å²	130.9	92%	0.92	76%	0.76	S	S	*	*			trans	-29.9	90.6	149.2	37	0	0	0	0	114.9
278	A	34.5	Very low	44.7	Very low	84 Å²	84	129.8 Å²	129.8	69%	0.694	75%	0.749	S	S	*	*			trans	-96.6	88.1	164	0	0	0	0	0	109.1	K276 Q280	K276-A278 PolarHBondContact O-N 3.4Å; A278-Q280 PolarHBondContact O-N 3.44Å
279	K	38.4	Very low	47.5	Very low	208 Å²	208	124.7 Å²	124.7	90%	0.904	71%	0.707	S	S	*	*			trans	-69.9	81	170.7	-163.3	179.1	-170.2	179.9	0	107.8	A281	K279-A281 VanDerWaalsContact C-N 3.34Å; K279-A281 PolarHBondContact O-N 2.87Å
280	Q	35.3	Very low	50	Low	177 Å²	177	118.3 Å²	118.3	83%	0.827	69%	0.685	S	S	*	*			trans	-62.3	95.6	178.4	-85.4	-173.6	-29.6	0	0	109.6	A278 S282	A278-Q280 PolarHBondContact O-N 3.44Å; Q280-S282 PolarHBondContact O-N 2.84Å
281	A	42.5	Very low	52.1	Low	102 Å²	102	116 Å²	116	84%	0.843	66%	0.66	S	S	*	*			trans	-67.9	82.1	157.8	0	0	0	0	0	107.4	K279 S283	K279-A281 VanDerWaalsContact C-N 3.34Å; K279-A281 PolarHBondContact O-N 2.87Å; A281-S283 PolarHBondContact O-N 3.32Å; A281-S283 VanDerWaalsContact O-N 3.12Å
282	S	42.3	Very low	54.7	Low	101 Å²	101	113.6 Å²	113.6	71%	0.706	63%	0.631	S	S	*	*			trans	-63.3	114.5	165.8	51.9	0	0	0	0	107.3	Q280 S284	Q280-S282 PolarHBondContact O-N 2.84Å; S282-S284 PolarHBondContact O-N 3.32Å
283	S	51.5	Low	56.8	Low	110 Å²	110	112.8 Å²	112.8	77%	0.769	61%	0.612	S	S	*	*			trans	-66.1	77.5	166.2	55	0	0	0	0	108	A281 C285	A281-S283 PolarHBondContact O-N 3.32Å; A281-S283 VanDerWaalsContact O-N 3.12Å; S283-C285 PolarHBondContact O-N 3.34Å; S283-C285 VanDerWaalsContact O-N 3.09Å
284	S	58.2	Low	59.2	Low	65 Å²	65	107.5 Å²	107.5	46%	0.455	59%	0.588	S	S	.	*			trans	-58.6	119	173.9	64.4	0	0	0	0	107.5	S282 S286	S282-S284 PolarHBondContact O-N 3.32Å; S284-S286 PolarHBondContact O-N 2.91Å
285	C	56.5	Low	61.4	Low	99 Å²	99	102.5 Å²	102.5	67%	0.669	57%	0.573	S	S	*	*			trans	-66.8	87.3	180	-58.6	0	0	0	0	108.2	S283 S287	S283-C285 PolarHBondContact O-N 3.34Å; S283-C285 VanDerWaalsContact O-N 3.09Å; C285-S287 PolarHBondContact O-N 2.99Å
286	S	70.6	Confident	63.8	Low	75 Å²	75	95.2 Å²	95.2	52%	0.524	54%	0.539	S	S	.	.			trans	-80.1	86.6	-167.7	78.4	0	0	0	0	109.4	S284 V295	S284-S286 PolarHBondContact O-N 2.91Å; S286-V295 VanDerWaalsContact CB-CG1 3.46Å
287	S	79.6	Confident	66.2	Low	45 Å²	45	87.2 Å²	87.2	32%	0.315	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	148.4	-177.1	-65.8	0	0	0	0	111.1	C285 V295 F296	C285-S287 PolarHBondContact O-N 2.99Å; S287-V295 WeakPolarHBondContact O-CA 3.49Å; S287-F296 PolarHBondContact N-O 3.08Å; S287-F296 VanDerWaalsContact N-O 3.15Å; S287-F296 WeakPolarHBondContact O-CD1 3.19Å; S287-F296 WeakPolarHBondContact O-CE1 3.38Å; S287-F296 PolarHBondContact O-N 2.71Å
288	R	86	Confident	68.1	Low	155 Å²	155	83.8 Å²	83.8	59%	0.585	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.3	171	-170.3	170.5	-72.4	143.3	0.8	109.7	R293 V402	R288-R293 WeakPolarHBondContact CG-O 3.31Å; R288-V402 PolarHBondContact O-N 2.95Å
289	C	86.7	Confident	70.2	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-73	133.9	175.8	-174.8	0	0	0	0	111.3	Y291 C292 R293 S294 F296 C306 H399 K400	C289-Y291 VanDerWaalsContact C-N 3.27Å; C289-Y291 PolarHBondContact O-N 2.77Å; C289-Y291 PolarHBondContact SG-N 3.02Å; C289-Y291 VanDerWaalsContact SG-N 3.43Å; C289-C292 WeakPolarHBondContact CB-SG 3.37Å; C289-R293 WeakPolarHBondContact O-CA 3.47Å; C289-R293 PolarHBondContact O-N 2.55Å; C289-R293 VanDerWaalsContact O-N 3.13Å; C289-S294 PolarHBondContact N-O 2.79Å; C289-F296 HydrophobicContact CB-CD1 3.92Å; C289-F296 HydrophobicContact CB-CE1 4.08Å; C289-C306 VanDerWaalsContact SG-SG 3.65Å; C289-H399 HydrophobicContact CB-CB 4.12Å; C289-K400 CarbonylContact C-O 3.48Å; C289-K400 VanDerWaalsContact CA-O 3.31Å; C289-K400 WeakPolarHBondContact CA-O 3.22Å
290	V	86.2	Confident	72.1	Confident	72 Å²	72	81.5 Å²	81.5	44%	0.436	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-39.4	173.6	176.2	0	0	0	0	111.5	K400 V402	V290-K400 WeakPolarHBondContact CG2-O 3.39Å; V290-K400 PolarHBondContact N-O 3.17Å; V290-V402 HydrophobicContact CB-CG2 4.49Å; V290-V402 HydrophobicContact CG2-CB 4.33Å; V290-V402 HydrophobicContact CG2-CG2 3.77Å
291	Y	84	Confident	74.4	Confident	78 Å²	78	74.8 Å²	74.8	31%	0.306	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-64.5	-170.6	-48.3	-64.9	0	0	0	112.7	C289 D308 A309 P310 K400	C289-Y291 VanDerWaalsContact C-N 3.27Å; C289-Y291 PolarHBondContact O-N 2.77Å; C289-Y291 PolarHBondContact SG-N 3.02Å; C289-Y291 VanDerWaalsContact SG-N 3.43Å; Y291-D308 WeakPolarHBondContact CB-O 3.27Å; Y291-A309 HydrophobicContact CD2-CB 3.39Å; Y291-A309 HydrophobicContact CE2-CB 3.71Å; Y291-A309 HydrophobicContact CG-CB 3.96Å; Y291-P310 HydrophobicContact CE1-CG 4.19Å; Y291-K400 HydrophobicContact CD2-CB 4.21Å; Y291-K400 HydrophobicContact CE2-CB 3.42Å; Y291-K400 VanDerWaalsContact CE2-CB 3.42Å; Y291-K400 HydrophobicContact CE2-CD 4.42Å; Y291-K400 WeakPolarHBondContact OH-CD 3.28Å
292	C	84	Confident	76.2	Confident	28 Å²	28	71.5 Å²	71.5	19%	0.189	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.7	-174.9	61.8	0	0	0	0	114.4	C289 S294 D308 H399	C289-C292 WeakPolarHBondContact CB-SG 3.37Å; C292-S294 PolarHBondContact O-N 2.88Å; C292-S294 PolarHBondContact SG-OG 2.78Å; C292-D308 HydrophobicContact CB-CB 4.17Å; C292-D308 WeakPolarHBondContact CB-OD2 3.36Å; C292-H399 VanDerWaalsContact SG-CE1 3.57Å; C292-H399 PolarHBondContact SG-ND1 3.37Å; C292-H399 VanDerWaalsContact SG-ND1 3.38Å
293	R	78.7	Confident	78	Confident	115 Å²	115	73.4 Å²	73.4	43%	0.434	42%	0.42	S	S	.	.			trans	55.4	4.9	-173.7	-61.1	-171.2	176.9	170.4	-7.1	116.9	S90 A92 D93 R288 C289	S90-R293 PolarHBondContact OG-NH1 2.94Å; S90-R293 PolarHBondContact OG-NH2 2.85Å; A92-R293 HydrophobicContact CB-CB 4.37Å; A92-R293 HydrophobicContact CB-CG 3.96Å; D93-R293 IonicContact OD1-NH1 3.75Å; D93-R293 IonicContact OD2-CZ 2.92Å; D93-R293 IonicContact OD2-NH1 3.77Å; D93-R293 PolarHBondContact OD2-NH1 3.16Å; R288-R293 WeakPolarHBondContact CG-O 3.31Å; C289-R293 WeakPolarHBondContact O-CA 3.47Å; C289-R293 PolarHBondContact O-N 2.55Å; C289-R293 VanDerWaalsContact O-N 3.13Å
294	S	81.1	Confident	79.3	Confident	50 Å²	50	69.9 Å²	69.9	35%	0.35	40%	0.401	S	S	.	.			trans	-66.1	148.1	171.3	69.4	0	0	0	0	110.6	C289 C292 H399	C289-S294 PolarHBondContact N-O 2.79Å; C292-S294 PolarHBondContact O-N 2.88Å; C292-S294 PolarHBondContact SG-OG 2.78Å; S294-H399 PolarHBondContact OG-CE1 2.78Å
295	V	85.4	Confident	80.4	Confident	86 Å²	86	75 Å²	75	52%	0.521	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.4	164.2	-179.4	0	0	0	0	107.5	S286 S287	S286-V295 VanDerWaalsContact CB-CG1 3.46Å; S287-V295 WeakPolarHBondContact O-CA 3.49Å
296	F	84.6	Confident	81.6	Confident	21 Å²	21	70.4 Å²	70.4	9%	0.092	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.7	177.1	73.4	-80.6	0	0	0	110.3	S287 C289 N301 H399 A401	S287-F296 PolarHBondContact N-O 3.08Å; S287-F296 VanDerWaalsContact N-O 3.15Å; S287-F296 WeakPolarHBondContact O-CD1 3.19Å; S287-F296 WeakPolarHBondContact O-CE1 3.38Å; S287-F296 PolarHBondContact O-N 2.71Å; C289-F296 HydrophobicContact CB-CD1 3.92Å; C289-F296 HydrophobicContact CB-CE1 4.08Å; F296-N301 HydrophobicContact CD2-CB 4.04Å; F296-N301 HydrophobicContact CE2-CB 4.18Å; F296-H399 HydrophobicContact CB-CB 4.29Å; F296-H399 HydrophobicContact CD1-CB 3.55Å; F296-H399 AromaticContact CD1-CG 3.95Å; F296-H399 HydrophobicContact CD2-CB 3.57Å; F296-H399 HydrophobicContact CE1-CB 3.64Å; F296-H399 HydrophobicContact CE2-CB 3.66Å; F296-H399 HydrophobicContact CG-CB 3.52Å; F296-H399 AromaticContact CG-CG 3.71Å; F296-H399 HydrophobicContact CZ-CB 3.69Å; F296-A401 HydrophobicContact CE1-CB 4.44Å; F296-A401 HydrophobicContact CZ-CB 4.06Å
297	S	82.8	Confident	81.9	Confident	10 Å²	10	76.4 Å²	76.4	7%	0.07	39%	0.39	C	S	.	.			trans	-85.6	142.6	169.1	77.4	0	0	0	0	109.7	S299 E300 N301	S297-S299 PolarHBondContact O-N 3.34Å; S297-S299 PolarHBondContact OG-OG 3.48Å; S297-E300 WeakPolarHBondContact CB-OE2 3.47Å; S297-E300 PolarHBondContact O-N 3.1Å; S297-E300 VanDerWaalsContact OG-CB 3.3Å; S297-E300 WeakPolarHBondContact OG-CB 3.37Å; S297-E300 VanDerWaalsContact OG-CD 3.23Å; S297-E300 WeakPolarHBondContact OG-CG 3.31Å; S297-E300 PolarHBondContact OG-N 3.46Å; S297-E300 PolarHBondContact OG-OE2 3.23Å; S297-N301 PolarHBondContact O-N 2.95Å
298	A	80.8	Confident	81.9	Confident	78 Å²	78	77.5 Å²	77.5	65%	0.645	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-61.6	-32.3	177.2	0	0	0	0	0	112.2	E300 N301	A298-E300 VanDerWaalsContact C-N 3.35Å; A298-E300 PolarHBondContact O-N 3.18Å; A298-N301 PolarHBondContact O-N 2.57Å
299	S	78.5	Confident	81.6	Confident	107 Å²	107	70.6 Å²	70.6	75%	0.748	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-64.5	-30.4	176.4	38.7	0	0	0	0	114.3	S297	S297-S299 PolarHBondContact O-N 3.34Å; S297-S299 PolarHBondContact OG-OG 3.48Å
300	E	78.2	Confident	81.1	Confident	138 Å²	138	75 Å²	75	65%	0.645	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-97.9	0.7	-177.9	-64.7	166.8	131.5	0	0	113	S297 A298 G302	S297-E300 WeakPolarHBondContact CB-OE2 3.47Å; S297-E300 PolarHBondContact O-N 3.1Å; S297-E300 VanDerWaalsContact OG-CB 3.3Å; S297-E300 WeakPolarHBondContact OG-CB 3.37Å; S297-E300 VanDerWaalsContact OG-CD 3.23Å; S297-E300 WeakPolarHBondContact OG-CG 3.31Å; S297-E300 PolarHBondContact OG-N 3.46Å; S297-E300 PolarHBondContact OG-OE2 3.23Å; A298-E300 VanDerWaalsContact C-N 3.35Å; A298-E300 PolarHBondContact O-N 3.18Å; E300-G302 PolarHBondContact O-N 2.86Å
301	N	85.1	Confident	80.8	Confident	36 Å²	36	72.7 Å²	72.7	19%	0.193	38%	0.382	C	S	.	.			trans	-77.2	57.3	-174.7	-166.3	20	0	0	0	114.1	F296 S297 A298 H399	F296-N301 HydrophobicContact CD2-CB 4.04Å; F296-N301 HydrophobicContact CE2-CB 4.18Å; S297-N301 PolarHBondContact O-N 2.95Å; A298-N301 PolarHBondContact O-N 2.57Å; N301-H399 PolarHBondContact ND2-O 3.47Å; N301-H399 WeakPolarHBondContact OD1-CB 3.34Å; N301-H399 PolarHBondContact OD1-N 2.9Å
302	G	80.4	Confident	80.4	Confident	33 Å²	33	73.5 Å²	73.5	34%	0.34	40%	0.397	S	S	.	.			trans	-66.3	169.2	170.6	0	0	0	0	0	113.4	E300 R305	E300-G302 PolarHBondContact O-N 2.86Å; G302-R305 WeakPolarHBondContact O-CB 3.47Å; G302-R305 VanDerWaalsContact O-CG 3.29Å; G302-R305 WeakPolarHBondContact O-CG 3.08Å
303	R	80	Confident	80.1	Confident	141 Å²	141	73.8 Å²	73.8	53%	0.532	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	147.7	169.5	-57.8	175.9	178.8	-150.9	-4.4	109.5	R305 C394 C395 K398	R303-R305 PolarHBondContact O-N 2.89Å; R303-C394 WeakPolarHBondContact CD-O 3.46Å; R303-C394 PolarHBondContact NH1-O 3.02Å; R303-C395 CarbonylContact C-O 3.56Å; R303-C395 WeakPolarHBondContact CB-O 3.31Å; R303-K398 VanDerWaalsContact CG-CE 3.46Å
304	G	77.9	Confident	80.1	Confident	36 Å²	36	71 Å²	71	37%	0.371	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	7.8	-178.6	0	0	0	0	0	115.5	C395 G396 G397	G304-C395 PolarHBondContact N-O 3.4Å; G304-G396 PolarHBondContact N-O 3.45Å; G304-G397 CarbonylContact C-O 3.51Å; G304-G397 WeakPolarHBondContact CA-O 3.41Å; G304-G397 PolarHBondContact N-O 3.21Å; G304-G397 VanDerWaalsContact N-O 3.15Å
305	R	81.9	Confident	80	Confident	172 Å²	172	74.7 Å²	74.7	65%	0.649	41%	0.407	S	S	*	.			trans	-81	-30.1	-179.5	-68	-63.8	-170.4	-168.5	-0.6	113.8	G302 R303 G397 H399	G302-R305 WeakPolarHBondContact O-CB 3.47Å; G302-R305 VanDerWaalsContact O-CG 3.29Å; G302-R305 WeakPolarHBondContact O-CG 3.08Å; R303-R305 PolarHBondContact O-N 2.89Å; R305-G397 PolarHBondContact N-O 3.29Å; R305-G397 VanDerWaalsContact N-O 3.11Å; R305-H399 PolarHBondContact O-NE2 3.32Å
306	C	81.3	Confident	79.9	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.014	40%	0.403	C	S	.	.			trans	-107.6	98.9	178.2	-171.2	0	0	0	0	110.4	C289 D308 A309 G397 K398 H399	C289-C306 VanDerWaalsContact SG-SG 3.65Å; C306-D308 PolarHBondContact O-N 3.35Å; C306-A309 HydrophobicContact CB-CB 3.73Å; C306-A309 WeakPolarHBondContact O-CB 3.44Å; C306-A309 PolarHBondContact O-N 2.84Å; C306-G397 PolarHBondContact N-O 3.45Å; C306-K398 VanDerWaalsContact CB-C 3.41Å; C306-H399 HydrophobicContact CB-CB 4.42Å
307	R	76.9	Confident	79.8	Confident	201 Å²	201	73.3 Å²	73.3	76%	0.758	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.9	178.5	-168.3	-173.5	71.9	161.1	8.4	113.1	A309	R307-A309 VanDerWaalsContact C-N 3.33Å
308	D	79.3	Confident	79.8	Confident	69 Å²	69	76.6 Å²	76.6	37%	0.369	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.7	-174.3	-41.3	-43.1	0	0	0	112.3	Y291 C292 C306	Y291-D308 WeakPolarHBondContact CB-O 3.27Å; C292-D308 HydrophobicContact CB-CB 4.17Å; C292-D308 WeakPolarHBondContact CB-OD2 3.36Å; C306-D308 PolarHBondContact O-N 3.35Å
309	A	80.5	Confident	80	Confident	10 Å²	10	77.7 Å²	77.7	8%	0.083	40%	0.404	C	S	.	.	S	Bend	trans	-84.6	146	174.2	0	0	0	0	0	110.9	Y291 C306 R307 D311 K398	Y291-A309 HydrophobicContact CD2-CB 3.39Å; Y291-A309 HydrophobicContact CE2-CB 3.71Å; Y291-A309 HydrophobicContact CG-CB 3.96Å; C306-A309 HydrophobicContact CB-CB 3.73Å; C306-A309 WeakPolarHBondContact O-CB 3.44Å; C306-A309 PolarHBondContact O-N 2.84Å; R307-A309 VanDerWaalsContact C-N 3.33Å; A309-D311 PolarHBondContact O-N 3.36Å; A309-K398 WeakPolarHBondContact CB-O 3.22Å
310	P	75.6	Confident	80.2	Confident	91 Å²	91	81.9 Å²	81.9	59%	0.591	40%	0.404	S	S	*	.			trans	-61.2	127.6	173.9	26.6	-33.8	0	0	0	110	Y291	Y291-P310 HydrophobicContact CE1-CG 4.19Å
311	D	78.9	Confident	80.5	Confident	24 Å²	24	75.3 Å²	75.3	13%	0.128	37%	0.373	C	S	.	.			trans	-100.1	113.6	173.1	176.9	34.8	0	0	0	110.3	A309 A313 L314 H315 G396	A309-D311 PolarHBondContact O-N 3.36Å; D311-A313 PolarHBondContact O-N 3.03Å; D311-A313 PolarHBondContact OD1-N 2.85Å; D311-A313 VanDerWaalsContact OD1-N 3.17Å; D311-L314 HydrophobicContact CB-CB 3.98Å; D311-L314 PolarHBondContact O-N 3.11Å; D311-L314 WeakPolarHBondContact OD2-CB 3.35Å; D311-L314 PolarHBondContact OD2-N 2.8Å; D311-H315 PolarHBondContact O-N 3.03Å; D311-H315 VanDerWaalsContact O-N 3.1Å; D311-G396 PolarHBondContact OD1-N 2.92Å
312	P	76.9	Confident	80.5	Confident	95 Å²	95	75.1 Å²	75.1	62%	0.617	37%	0.374	S	S	*	.	H	α-helix	trans	-58.7	-31.8	174.9	-24.3	34.8	0	0	0	112.8	H315 C316	P312-H315 PolarHBondContact O-N 2.66Å; P312-C316 PolarHBondContact O-N 3.33Å; P312-C316 PolarHBondContact O-SG 3.27Å
313	A	76.3	Confident	80.8	Confident	35 Å²	35	73.7 Å²	73.7	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-69.7	-41.6	-179.9	0	0	0	0	0	111.6	D311 H315 C316 L317 L386 C395	D311-A313 PolarHBondContact O-N 3.03Å; D311-A313 PolarHBondContact OD1-N 2.85Å; D311-A313 VanDerWaalsContact OD1-N 3.17Å; A313-H315 VanDerWaalsContact C-N 3.31Å; A313-H315 PolarHBondContact O-N 2.74Å; A313-C316 PolarHBondContact O-N 3.14Å; A313-L317 VanDerWaalsContact O-CB 3.25Å; A313-L317 WeakPolarHBondContact O-CB 3.21Å; A313-L317 PolarHBondContact O-N 3.01Å; A313-L386 HydrophobicContact CB-CD1 3.59Å; A313-C395 HydrophobicContact CB-CB 4.3Å
314	L	79.4	Confident	80.9	Confident	57 Å²	57	71.3 Å²	71.3	30%	0.298	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-35.6	169.5	-176.2	60.2	0	0	0	112.9	D311 L317 R318 L386	D311-L314 HydrophobicContact CB-CB 3.98Å; D311-L314 PolarHBondContact O-N 3.11Å; D311-L314 WeakPolarHBondContact OD2-CB 3.35Å; D311-L314 PolarHBondContact OD2-N 2.8Å; L314-L317 HydrophobicContact CD1-CD2 4.24Å; L314-R318 WeakPolarHBondContact O-CG 3.42Å; L314-R318 PolarHBondContact O-N 3.3Å; L314-L386 HydrophobicContact CB-CD2 3.99Å; L314-L386 HydrophobicContact CD1-CD2 3.9Å
315	H	80.1	Confident	81.2	Confident	127 Å²	127	71.5 Å²	71.5	59%	0.588	35%	0.345	S	S	*	.	H	α-helix	trans	-68.8	-48.1	176.3	-172.8	67.4	0	0	0	111.8	D311 P312 A313 L317 R318 Q319	D311-H315 PolarHBondContact O-N 3.03Å; D311-H315 VanDerWaalsContact O-N 3.1Å; P312-H315 PolarHBondContact O-N 2.66Å; A313-H315 VanDerWaalsContact C-N 3.31Å; A313-H315 PolarHBondContact O-N 2.74Å; H315-L317 VanDerWaalsContact C-N 3.29Å; H315-L317 PolarHBondContact O-N 2.97Å; H315-R318 PolarHBondContact O-N 3.28Å; H315-Q319 PolarHBondContact O-N 3.17Å
316	C	82.1	Confident	81.3	Confident	64 Å²	64	63.4 Å²	63.4	43%	0.432	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-36.4	173.2	-65.5	0	0	0	0	112.4	P312 A313 Q319 W320	P312-C316 PolarHBondContact O-N 3.33Å; P312-C316 PolarHBondContact O-SG 3.27Å; A313-C316 PolarHBondContact O-N 3.14Å; C316-Q319 WeakPolarHBondContact O-CA 3.5Å; C316-Q319 WeakPolarHBondContact O-CB 3.24Å; C316-Q319 PolarHBondContact O-N 3.5Å; C316-Q319 VanDerWaalsContact O-N 3.17Å; C316-W320 PolarHBondContact O-N 3.03Å
317	L	83.8	Confident	81.3	Confident	14 Å²	14	65.5 Å²	65.5	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-51.9	173.1	172.3	60.5	0	0	0	111.1	A313 L314 H315 Q319 W320 T321 Y379 L382 R383 L386	A313-L317 VanDerWaalsContact O-CB 3.25Å; A313-L317 WeakPolarHBondContact O-CB 3.21Å; A313-L317 PolarHBondContact O-N 3.01Å; L314-L317 HydrophobicContact CD1-CD2 4.24Å; H315-L317 VanDerWaalsContact C-N 3.29Å; H315-L317 PolarHBondContact O-N 2.97Å; L317-Q319 PolarHBondContact O-N 2.95Å; L317-W320 PolarHBondContact O-N 2.96Å; L317-T321 HydrophobicContact CD1-CG2 3.69Å; L317-T321 WeakPolarHBondContact O-CG2 3.22Å; L317-T321 PolarHBondContact O-N 3.24Å; L317-T321 VanDerWaalsContact O-N 3.14Å; L317-T321 PolarHBondContact O-OG1 3.43Å; L317-Y379 HydrophobicContact CD1-CD2 4.41Å; L317-Y379 HydrophobicContact CD2-CE2 4.31Å; L317-Y379 HydrophobicContact CG-CD2 4.23Å; L317-Y379 HydrophobicContact CG-CE2 4.28Å; L317-L382 HydrophobicContact CD1-CB 3.36Å; L317-L382 HydrophobicContact CD1-CD1 4.03Å; L317-L382 HydrophobicContact CD1-CG 4.35Å; L317-R383 HydrophobicContact CD2-CB 3.92Å; L317-R383 HydrophobicContact CD2-CG 4.28Å; L317-L386 HydrophobicContact CD2-CB 4.46Å; L317-L386 HydrophobicContact CD2-CD2 3.86Å
318	R	82.8	Confident	81.5	Confident	79 Å²	79	59 Å²	59	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-55.9	-38.1	174.2	-74.1	170.6	161.5	-88.8	-5.1	110.9	L314 H315 C322 V323 W324 E327	L314-R318 WeakPolarHBondContact O-CG 3.42Å; L314-R318 PolarHBondContact O-N 3.3Å; H315-R318 PolarHBondContact O-N 3.28Å; R318-C322 PolarHBondContact O-N 2.82Å; R318-V323 HydrophobicContact CB-CG1 4.02Å; R318-V323 HydrophobicContact CG-CG1 3.72Å; R318-W324 VanDerWaalsContact O-CZ3 3.31Å; R318-W324 WeakPolarHBondContact O-CZ3 3.49Å; R318-E327 IonicContact CZ-OE1 3.27Å; R318-E327 VanDerWaalsContact CZ-OE1 3.27Å; R318-E327 IonicContact CZ-OE2 3.88Å; R318-E327 IonicContact NH1-OE1 2.8Å; R318-E327 PolarHBondContact NH1-OE1 3.49Å; R318-E327 IonicContact NH1-OE2 2.74Å; R318-E327 PolarHBondContact NH1-OE2 3.18Å; R318-E327 IonicContact NH2-OE1 2.85Å; R318-E327 PolarHBondContact NH2-OE1 3.48Å
319	Q	84.7	Confident	81.6	Confident	101 Å²	101	58 Å²	58	47%	0.472	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-46.3	177.5	-163.2	69	25.2	0	0	114.2	H315 C316 L317 W324	H315-Q319 PolarHBondContact O-N 3.17Å; C316-Q319 WeakPolarHBondContact O-CA 3.5Å; C316-Q319 WeakPolarHBondContact O-CB 3.24Å; C316-Q319 PolarHBondContact O-N 3.5Å; C316-Q319 VanDerWaalsContact O-N 3.17Å; L317-Q319 PolarHBondContact O-N 2.95Å; Q319-W324 VanDerWaalsContact CA-CH2 3.46Å; Q319-W324 VanDerWaalsContact CA-CZ3 3.41Å; Q319-W324 HydrophobicContact CB-CH2 4.33Å; Q319-W324 HydrophobicContact CB-CZ3 4.31Å; Q319-W324 VanDerWaalsContact CD-CH2 3.41Å; Q319-W324 HydrophobicContact CG-CH2 4.13Å; Q319-W324 HydrophobicContact CG-CZ3 4.46Å; Q319-W324 WeakPolarHBondContact O-CH2 3.23Å; Q319-W324 VanDerWaalsContact OE1-CZ3 3.24Å
320	W	82.5	Confident	81.6	Confident	195 Å²	195	57.7 Å²	57.7	74%	0.739	30%	0.301	S	S	*	.	H	α-helix	trans	-84.5	-22.4	-173.1	-66.6	-0.6	0	0	0	113.7	C316 L317	C316-W320 PolarHBondContact O-N 3.03Å; L317-W320 PolarHBondContact O-N 2.96Å
321	T	84.8	Confident	81.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	0.2	-179.2	68	0	0	0	0	112.9	L317 V323 C375 M376 C378 Y379 L382	L317-T321 HydrophobicContact CD1-CG2 3.69Å; L317-T321 WeakPolarHBondContact O-CG2 3.22Å; L317-T321 PolarHBondContact O-N 3.24Å; L317-T321 VanDerWaalsContact O-N 3.14Å; L317-T321 PolarHBondContact O-OG1 3.43Å; T321-V323 PolarHBondContact O-N 2.76Å; T321-C375 WeakPolarHBondContact CA-O 3.48Å; T321-M376 VanDerWaalsContact O-CA 3.27Å; T321-M376 WeakPolarHBondContact O-CA 3.32Å; T321-M376 WeakPolarHBondContact O-CG 3.25Å; T321-M376 PolarHBondContact O-N 2.68Å; T321-C378 HydrophobicContact CG2-CB 4.41Å; T321-Y379 HydrophobicContact CG2-CD2 4.28Å; T321-Y379 VanDerWaalsContact OG1-CD2 3.31Å; T321-Y379 WeakPolarHBondContact OG1-CD2 3.46Å; T321-L382 HydrophobicContact CG2-CD1 3.98Å
322	C	84.8	Confident	81.4	Confident	31 Å²	31	64.7 Å²	64.7	21%	0.209	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	33.7	-177.4	-61.5	0	0	0	0	114.1	R318 W324 C325 V373	R318-C322 PolarHBondContact O-N 2.82Å; C322-W324 HydrophobicContact CB-CZ2 4.05Å; C322-W324 PolarHBondContact O-N 3.19Å; C322-W324 VanDerWaalsContact O-N 3.11Å; C322-C325 VanDerWaalsContact O-CB 3.28Å; C322-C325 WeakPolarHBondContact O-CB 3.5Å; C322-C325 PolarHBondContact O-N 3.21Å; C322-V373 HydrophobicContact CB-CG1 3.63Å
323	V	85.5	Confident	81.1	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.024	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17	-170.1	74.9	0	0	0	0	113.4	R318 T321 C325 A326 E327 Y379	R318-V323 HydrophobicContact CB-CG1 4.02Å; R318-V323 HydrophobicContact CG-CG1 3.72Å; T321-V323 PolarHBondContact O-N 2.76Å; V323-C325 PolarHBondContact O-N 3.01Å; V323-A326 HydrophobicContact CG2-CB 4.42Å; V323-A326 WeakPolarHBondContact O-CA 3.47Å; V323-A326 VanDerWaalsContact O-CB 3.23Å; V323-A326 WeakPolarHBondContact O-CB 3.26Å; V323-A326 PolarHBondContact O-N 2.69Å; V323-A326 VanDerWaalsContact O-N 3.07Å; V323-E327 PolarHBondContact O-N 2.94Å; V323-Y379 HydrophobicContact CB-CD2 4.02Å; V323-Y379 HydrophobicContact CB-CE2 4.1Å; V323-Y379 HydrophobicContact CB-CG 4.36Å; V323-Y379 HydrophobicContact CG1-CD2 4.21Å; V323-Y379 HydrophobicContact CG1-CE2 3.85Å; V323-Y379 HydrophobicContact CG2-CD1 4.01Å; V323-Y379 HydrophobicContact CG2-CD2 4.08Å; V323-Y379 HydrophobicContact CG2-CE1 3.99Å; V323-Y379 HydrophobicContact CG2-CE2 4.04Å; V323-Y379 HydrophobicContact CG2-CG 4.03Å
324	W	83	Confident	80.7	Confident	91 Å²	91	64.7 Å²	64.7	35%	0.345	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-28.3	166.3	53.8	72.1	0	0	0	112.8	R318 Q319 C322 A326 E327 S328	R318-W324 VanDerWaalsContact O-CZ3 3.31Å; R318-W324 WeakPolarHBondContact O-CZ3 3.49Å; Q319-W324 VanDerWaalsContact CA-CH2 3.46Å; Q319-W324 VanDerWaalsContact CA-CZ3 3.41Å; Q319-W324 HydrophobicContact CB-CH2 4.33Å; Q319-W324 HydrophobicContact CB-CZ3 4.31Å; Q319-W324 VanDerWaalsContact CD-CH2 3.41Å; Q319-W324 HydrophobicContact CG-CH2 4.13Å; Q319-W324 HydrophobicContact CG-CZ3 4.46Å; Q319-W324 WeakPolarHBondContact O-CH2 3.23Å; Q319-W324 VanDerWaalsContact OE1-CZ3 3.24Å; C322-W324 HydrophobicContact CB-CZ2 4.05Å; C322-W324 PolarHBondContact O-N 3.19Å; C322-W324 VanDerWaalsContact O-N 3.11Å; W324-A326 PolarHBondContact O-N 2.93Å; W324-E327 PolarHBondContact O-N 2.88Å; W324-S328 WeakPolarHBondContact O-CB 3.36Å; W324-S328 PolarHBondContact O-N 2.87Å; W324-S328 PolarHBondContact O-OG 3.39Å; W324-S328 VanDerWaalsContact O-OG 3.13Å
325	C	83.9	Confident	80	Confident	40 Å²	40	64.1 Å²	64.1	27%	0.27	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-35.9	176.7	-67.9	0	0	0	0	109.7	C322 V323 L329 L369 M376	C322-C325 VanDerWaalsContact O-CB 3.28Å; C322-C325 WeakPolarHBondContact O-CB 3.5Å; C322-C325 PolarHBondContact O-N 3.21Å; V323-C325 PolarHBondContact O-N 3.01Å; C325-L329 WeakPolarHBondContact O-CB 3.48Å; C325-L329 PolarHBondContact O-N 3.39Å; C325-L329 VanDerWaalsContact O-N 3.09Å; C325-L369 VanDerWaalsContact C-CD2 3.46Å; C325-L369 HydrophobicContact CB-CD1 4.27Å; C325-L369 HydrophobicContact CB-CD2 4.06Å; C325-L369 WeakPolarHBondContact O-CD2 3.24Å; C325-M376 HydrophobicContact CB-SD 4.46Å
326	A	84.2	Confident	79	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-56.2	169.2	0	0	0	0	0	110.2	V323 W324 S328 L329 L330 P344 L366 L369 M376	V323-A326 HydrophobicContact CG2-CB 4.42Å; V323-A326 WeakPolarHBondContact O-CA 3.47Å; V323-A326 VanDerWaalsContact O-CB 3.23Å; V323-A326 WeakPolarHBondContact O-CB 3.26Å; V323-A326 PolarHBondContact O-N 2.69Å; V323-A326 VanDerWaalsContact O-N 3.07Å; W324-A326 PolarHBondContact O-N 2.93Å; A326-S328 VanDerWaalsContact C-N 3.3Å; A326-S328 PolarHBondContact O-N 3.4Å; A326-L329 PolarHBondContact O-N 3.47Å; A326-L329 VanDerWaalsContact O-N 3.07Å; A326-L330 WeakPolarHBondContact O-CB 3.42Å; A326-L330 WeakPolarHBondContact O-CG 3.39Å; A326-L330 PolarHBondContact O-N 3.32Å; A326-P344 HydrophobicContact CB-CB 3.9Å; A326-P344 HydrophobicContact CB-CG 4.04Å; A326-L366 HydrophobicContact CB-CD2 3.93Å; A326-L369 HydrophobicContact CB-CD2 4.32Å; A326-M376 HydrophobicContact CB-CE 3.47Å; A326-M376 VanDerWaalsContact CB-CE 3.47Å; A326-M376 HydrophobicContact CB-SD 3.92Å
327	E	80.6	Confident	77.5	Confident	47 Å²	47	64.4 Å²	64.4	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-55.6	-43.5	-175.8	-65.5	175.1	152.1	0	0	111.8	R318 V323 W324 Y331 P344	R318-E327 IonicContact CZ-OE1 3.27Å; R318-E327 VanDerWaalsContact CZ-OE1 3.27Å; R318-E327 IonicContact CZ-OE2 3.88Å; R318-E327 IonicContact NH1-OE1 2.8Å; R318-E327 PolarHBondContact NH1-OE1 3.49Å; R318-E327 IonicContact NH1-OE2 2.74Å; R318-E327 PolarHBondContact NH1-OE2 3.18Å; R318-E327 IonicContact NH2-OE1 2.85Å; R318-E327 PolarHBondContact NH2-OE1 3.48Å; V323-E327 PolarHBondContact O-N 2.94Å; W324-E327 PolarHBondContact O-N 2.88Å; E327-Y331 VanDerWaalsContact O-CB 3.24Å; E327-Y331 WeakPolarHBondContact O-CB 3.27Å; E327-Y331 PolarHBondContact O-N 3.13Å; E327-P344 HydrophobicContact CG-CG 3.62Å
328	S	81.7	Confident	76.1	Confident	63 Å²	63	66.5 Å²	66.5	44%	0.441	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-39.5	174.9	-61.3	0	0	0	0	113.8	W324 A326 Y331 H332	W324-S328 WeakPolarHBondContact O-CB 3.36Å; W324-S328 PolarHBondContact O-N 2.87Å; W324-S328 PolarHBondContact O-OG 3.39Å; W324-S328 VanDerWaalsContact O-OG 3.13Å; A326-S328 VanDerWaalsContact C-N 3.3Å; A326-S328 PolarHBondContact O-N 3.4Å; S328-Y331 PolarHBondContact O-N 2.79Å; S328-H332 WeakPolarHBondContact O-CB 3.45Å; S328-H332 PolarHBondContact O-CD2 3.06Å; S328-H332 VanDerWaalsContact O-CD2 3.27Å; S328-H332 PolarHBondContact O-N 3.26Å
329	L	82.3	Confident	74.7	Confident	49 Å²	49	64.6 Å²	64.6	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-44.1	176.8	-178.4	70.3	0	0	0	111.2	C325 A326 Y331 C333 A365 L369	C325-L329 WeakPolarHBondContact O-CB 3.48Å; C325-L329 PolarHBondContact O-N 3.39Å; C325-L329 VanDerWaalsContact O-N 3.09Å; A326-L329 PolarHBondContact O-N 3.47Å; A326-L329 VanDerWaalsContact O-N 3.07Å; L329-Y331 VanDerWaalsContact C-N 3.33Å; L329-C333 HydrophobicContact CD1-CB 4.49Å; L329-C333 VanDerWaalsContact O-CB 3.25Å; L329-C333 WeakPolarHBondContact O-CB 3.21Å; L329-C333 PolarHBondContact O-N 3.21Å; L329-A365 HydrophobicContact CD2-CB 4.15Å; L329-L369 HydrophobicContact CB-CD2 4.27Å; L329-L369 HydrophobicContact CD2-CB 3.9Å; L329-L369 HydrophobicContact CD2-CD2 3.79Å; L329-L369 HydrophobicContact CD2-CG 4.31Å
330	L	78.9	Confident	73.1	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-63.6	-42	176.7	-61.6	175.6	0	0	0	110.7	A326 M334 S335 W342 P344 R362 L366	A326-L330 WeakPolarHBondContact O-CB 3.42Å; A326-L330 WeakPolarHBondContact O-CG 3.39Å; A326-L330 PolarHBondContact O-N 3.32Å; L330-M334 HydrophobicContact CD2-CE 3.2Å; L330-M334 HydrophobicContact CG-CE 4.43Å; L330-M334 CarbonylContact O-C 3.2Å; L330-M334 WeakPolarHBondContact O-CA 3.15Å; L330-M334 PolarHBondContact O-N 3.05Å; L330-S335 PolarHBondContact O-N 2.83Å; L330-W342 WeakPolarHBondContact CD1-O 3.39Å; L330-P344 VanDerWaalsContact CD1-CA 3.48Å; L330-P344 HydrophobicContact CD1-CB 3.73Å; L330-P344 HydrophobicContact CD1-CG 3.62Å; L330-R362 HydrophobicContact CD2-CG 4.04Å; L330-L366 HydrophobicContact CD2-CD1 4.45Å; L330-L366 HydrophobicContact CD2-CD2 4.09Å; L330-L366 HydrophobicContact CD2-CG 4.22Å; L330-L366 HydrophobicContact CG-CD2 4.44Å
331	Y	74.2	Confident	71.8	Confident	114 Å²	114	58.7 Å²	58.7	45%	0.447	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-55.1	175.7	-175.4	-101.2	0	0	0	111.7	E327 S328 L329 S335 F341	E327-Y331 VanDerWaalsContact O-CB 3.24Å; E327-Y331 WeakPolarHBondContact O-CB 3.27Å; E327-Y331 PolarHBondContact O-N 3.13Å; S328-Y331 PolarHBondContact O-N 2.79Å; L329-Y331 VanDerWaalsContact C-N 3.33Å; Y331-S335 WeakPolarHBondContact O-CB 3.28Å; Y331-S335 PolarHBondContact O-N 3.43Å; Y331-S335 PolarHBondContact O-OG 3.3Å; Y331-F341 HydrophobicContact CD2-CD1 4.22Å
332	H	77.3	Confident	70.5	Confident	147 Å²	147	66 Å²	66	68%	0.681	35%	0.349	S	S	*	.	H	α-helix	trans	-75.1	-28.8	-174.6	-75.1	-63.9	0	0	0	115.3	S328	S328-H332 WeakPolarHBondContact O-CB 3.45Å; S328-H332 PolarHBondContact O-CD2 3.06Å; S328-H332 VanDerWaalsContact O-CD2 3.27Å; S328-H332 PolarHBondContact O-N 3.26Å
333	C	70.6	Confident	69.2	Low	90 Å²	90	70 Å²	70	61%	0.608	36%	0.364	S	S	*	.	H	α-helix	trans	-104.6	-15.4	-175.2	-59.7	0	0	0	0	114	L329	L329-C333 HydrophobicContact CD1-CB 4.49Å; L329-C333 VanDerWaalsContact O-CB 3.25Å; L329-C333 WeakPolarHBondContact O-CB 3.21Å; L329-C333 PolarHBondContact O-N 3.21Å
334	M	67.4	Low	67.9	Low	40 Å²	40	70.5 Å²	70.5	20%	0.197	37%	0.368	C	S	.	.	H	α-helix	trans	-148	12.4	-172.5	-64.3	-176.4	-71.5	0	0	115.2	L330 R362 A365	L330-M334 HydrophobicContact CD2-CE 3.2Å; L330-M334 HydrophobicContact CG-CE 4.43Å; L330-M334 CarbonylContact O-C 3.2Å; L330-M334 WeakPolarHBondContact O-CA 3.15Å; L330-M334 PolarHBondContact O-N 3.05Å; M334-R362 HydrophobicContact CE-CB 3.97Å; M334-R362 HydrophobicContact CE-CG 4.07Å; M334-R362 WeakPolarHBondContact SD-CA 3.21Å; M334-R362 HydrophobicContact SD-CB 3.72Å; M334-R362 HydrophobicContact SD-CG 4.42Å; M334-A365 HydrophobicContact CE-CB 4.17Å
335	S	64.8	Low	66.8	Low	45 Å²	45	68.3 Å²	68.3	32%	0.315	37%	0.366	S	S	.	.			trans	-67.3	140.8	160	73.2	0	0	0	0	108.7	L330 Y331	L330-S335 PolarHBondContact O-N 2.83Å; Y331-S335 WeakPolarHBondContact O-CB 3.28Å; Y331-S335 PolarHBondContact O-N 3.43Å; Y331-S335 PolarHBondContact O-OG 3.3Å
336	D	60.1	Low	65.5	Low	75 Å²	75	68 Å²	68	40%	0.401	36%	0.364	S	S	.	.			trans	-70.5	176.5	163.7	67.4	10.3	0	0	0	111.1	E338 G339 E340	D336-E338 PolarHBondContact O-N 3.03Å; D336-E338 WeakPolarHBondContact OD1-CA 3.36Å; D336-E338 WeakPolarHBondContact OD1-CB 3.36Å; D336-E338 PolarHBondContact OD1-N 3.18Å; D336-G339 PolarHBondContact O-N 3.41Å; D336-G339 PolarHBondContact OD1-N 3.23Å; D336-E340 PolarHBondContact N-O 2.9Å; D336-E340 PolarHBondContact OD1-N 3.34Å
337	S	50.2	Low	64	Low	122 Å²	122	72.6 Å²	72.6	85%	0.853	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.4	176.6	53	0	0	0	0	114.1
338	E	53.8	Low	62.3	Low	59 Å²	59	74.6 Å²	74.6	28%	0.276	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-7	175.1	-61.3	-76.9	91.7	0	0	111.9	R9 K83 D336	R9-E338 IonicContact CZ-OE1 3.1Å; R9-E338 IonicContact CZ-OE2 2.74Å; R9-E338 IonicContact NH1-OE1 2.96Å; R9-E338 PolarHBondContact NH1-OE1 2.9Å; R9-E338 IonicContact NH1-OE2 3.78Å; R9-E338 PolarHBondContact NH1-OE2 2.74Å; R9-E338 IonicContact NH2-OE1 2.76Å; R9-E338 PolarHBondContact NH2-OE1 2.89Å; K83-E338 IonicContact NZ-OE1 3.65Å; K83-E338 IonicContact NZ-OE2 2.69Å; K83-E338 PolarHBondContact NZ-OE2 3.19Å; D336-E338 PolarHBondContact O-N 3.03Å; D336-E338 WeakPolarHBondContact OD1-CA 3.36Å; D336-E338 WeakPolarHBondContact OD1-CB 3.36Å; D336-E338 PolarHBondContact OD1-N 3.18Å
339	G	53.1	Low	60.8	Low	38 Å²	38	77.9 Å²	77.9	39%	0.392	42%	0.42	S	S	.	.			trans	83.5	12.1	178.3	0	0	0	0	0	114.2	D336 F341	D336-G339 PolarHBondContact O-N 3.41Å; D336-G339 PolarHBondContact OD1-N 3.23Å; G339-F341 PolarHBondContact O-N 3.29Å
340	E	51.3	Low	59	Low	77 Å²	77	80 Å²	80	36%	0.36	44%	0.438	S	S	.	.			trans	-79.9	121.2	173.7	-59.3	-144.6	123	0	0	109.4	N68 D336	N68-E340 WeakPolarHBondContact CB-OE1 3.1Å; N68-E340 PolarHBondContact ND2-OE1 3.38Å; N68-E340 VanDerWaalsContact ND2-OE1 3.08Å; N68-E340 PolarHBondContact ND2-OE2 2.67Å; D336-E340 PolarHBondContact N-O 2.9Å; D336-E340 PolarHBondContact OD1-N 3.34Å
341	F	55.7	Low	57.3	Low	95 Å²	95	88.2 Å²	88.2	42%	0.417	48%	0.479	S	S	.	.			trans	-125.9	143.1	177.1	78.5	-87.2	0	0	0	110.6	Y331 G339	Y331-F341 HydrophobicContact CD2-CD1 4.22Å; G339-F341 PolarHBondContact O-N 3.29Å
342	W	56	Low	55.8	Low	153 Å²	153	85.8 Å²	85.8	58%	0.58	49%	0.489	S	S	*	.			trans	-74.9	137	-179.1	-58.7	97	0	0	0	111.2	L330	L330-W342 WeakPolarHBondContact CD1-O 3.39Å
343	E	59.5	Low	54.1	Low	116 Å²	116	82.7 Å²	82.7	54%	0.542	50%	0.497	S	S	.	.			trans	-56.3	138.4	171	-69.6	-163.5	166.5	0	0	110.1	C345 S346	E343-C345 PolarHBondContact O-N 2.86Å; E343-S346 PolarHBondContact O-N 3.11Å
344	P	57.7	Low	52.7	Low	15 Å²	15	86.4 Å²	86.4	10%	0.097	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-13.2	-175.4	-23.1	26.2	0	0	0	117	A326 E327 L330	A326-P344 HydrophobicContact CB-CB 3.9Å; A326-P344 HydrophobicContact CB-CG 4.04Å; E327-P344 HydrophobicContact CG-CG 3.62Å; L330-P344 VanDerWaalsContact CD1-CA 3.48Å; L330-P344 HydrophobicContact CD1-CB 3.73Å; L330-P344 HydrophobicContact CD1-CG 3.62Å
345	C	58.6	Low	51.6	Low	44 Å²	44	90.4 Å²	90.4	30%	0.297	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	19.6	-178.1	-51.7	0	0	0	0	112.7	E343 C347 L380	E343-C345 PolarHBondContact O-N 2.86Å; C345-C347 PolarHBondContact O-N 3.07Å; C345-L380 HydrophobicContact CB-CD2 4.14Å
346	S	57.8	Low	51.2	Low	33 Å²	33	93.6 Å²	93.6	23%	0.231	54%	0.544	C	S	.	.			trans	-81.2	112.9	173.7	-172	0	0	0	0	110.6	E343 D348 R362	E343-S346 PolarHBondContact O-N 3.11Å; S346-D348 PolarHBondContact O-N 3.36Å; S346-D348 WeakPolarHBondContact OG-CB 3.2Å; S346-D348 PolarHBondContact OG-N 3.47Å; S346-R362 PolarHBondContact O-NH1 3.09Å; S346-R362 PolarHBondContact O-NH2 2.86Å
347	C	51.6	Low	51	Low	99 Å²	99	94.6 Å²	94.6	67%	0.669	55%	0.554	S	S	*	*			trans	-90.8	46.8	168.3	-54.3	0	0	0	0	110.3	C345 D349	C345-C347 PolarHBondContact O-N 3.07Å; C347-D349 PolarHBondContact O-N 3.07Å
348	D	45.1	Very low	51.5	Low	89 Å²	89	93.6 Å²	93.6	48%	0.476	54%	0.539	S	S	.	.			trans	-89.6	95.2	176.6	-157.4	1.4	0	0	0	109.4	S346 S350	S346-D348 PolarHBondContact O-N 3.36Å; S346-D348 WeakPolarHBondContact OG-CB 3.2Å; S346-D348 PolarHBondContact OG-N 3.47Å; D348-S350 PolarHBondContact O-N 3.37Å; D348-S350 WeakPolarHBondContact OD1-CB 3.48Å; D348-S350 PolarHBondContact OD1-N 2.82Å; D348-S350 PolarHBondContact OD1-OG 2.94Å
349	D	50.2	Low	52.1	Low	132 Å²	132	92.7 Å²	92.7	71%	0.706	54%	0.539	S	S	*	.			trans	-79.3	26.4	170.3	-65.1	-47.4	0	0	0	111.4	C347 M351	C347-D349 PolarHBondContact O-N 3.07Å; D349-M351 PolarHBondContact O-N 3.43Å
350	S	46	Very low	52.9	Low	92 Å²	92	94.8 Å²	94.8	64%	0.643	55%	0.546	S	S	*	.			trans	-76.4	60.4	178.2	-68.8	0	0	0	0	113.1	D348	D348-S350 PolarHBondContact O-N 3.37Å; D348-S350 WeakPolarHBondContact OD1-CB 3.48Å; D348-S350 PolarHBondContact OD1-N 2.82Å; D348-S350 PolarHBondContact OD1-OG 2.94Å
351	M	43.3	Very low	54	Low	177 Å²	177	93.1 Å²	93.1	87%	0.872	55%	0.546	S	S	*	.	S	Bend	trans	-153.8	110	147.8	-95.8	-66.5	-171.9	0	0	105.7	D349	D349-M351 PolarHBondContact O-N 3.43Å
352	G	41.4	Very low	55	Low	63 Å²	63	89.4 Å²	89.4	65%	0.649	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	139.4	-159.2	0	0	0	0	0	116	H354	G352-H354 VanDerWaalsContact C-N 3.33Å; G352-H354 PolarHBondContact O-CD2 3.47Å; G352-H354 PolarHBondContact O-N 3.19Å; G352-H354 VanDerWaalsContact O-N 3.07Å
353	G	42.7	Very low	56	Low	83 Å²	83	87.7 Å²	87.7	86%	0.856	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-5.8	147.2	0	0	0	0	0	119
354	H	40.7	Very low	57	Low	167 Å²	167	87.6 Å²	87.6	77%	0.773	53%	0.525	S	S	*	.			trans	-114.2	125.9	-178.4	-67.7	-67	0	0	0	112.6	G352 H356	G352-H354 VanDerWaalsContact C-N 3.33Å; G352-H354 PolarHBondContact O-CD2 3.47Å; G352-H354 PolarHBondContact O-N 3.19Å; G352-H354 VanDerWaalsContact O-N 3.07Å; H354-H356 PolarHBondContact O-N 3.15Å
355	P	45.1	Very low	58.1	Low	125 Å²	125	88.2 Å²	88.2	81%	0.812	53%	0.531	S	S	*	.			trans	-72.1	94.1	176.1	3	9.4	0	0	0	110.1
356	H	55.8	Low	59.1	Low	112 Å²	112	87 Å²	87	52%	0.519	52%	0.522	S	S	.	.			trans	-76.1	127.2	179.2	-150.5	-93.2	0	0	0	110.5	H354 L358 C359	H354-H356 PolarHBondContact O-N 3.15Å; H356-L358 VanDerWaalsContact CE1-CD1 3.49Å; H356-L358 WeakPolarHBondContact CE1-CD1 3.25Å; H356-L358 WeakPolarHBondContact ND1-CG 3.48Å; H356-L358 PolarHBondContact O-N 2.97Å; H356-L358 VanDerWaalsContact O-N 3.1Å; H356-C359 WeakPolarHBondContact O-CB 3.32Å; H356-C359 PolarHBondContact O-N 3.03Å
357	P	55.9	Low	60.3	Low	95 Å²	95	90.4 Å²	90.4	62%	0.617	54%	0.537	S	S	*	.	H	α-helix	trans	-61	-25.9	-176.4	22.8	-33.3	0	0	0	113.1	C359 C360 A361	P357-C359 VanDerWaalsContact C-N 3.28Å; P357-C359 PolarHBondContact O-N 3.24Å; P357-C360 PolarHBondContact O-N 2.94Å; P357-A361 WeakPolarHBondContact O-CB 3.5Å; P357-A361 PolarHBondContact O-N 3.07Å
358	L	61.4	Low	61.9	Low	102 Å²	102	87.6 Å²	87.6	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-61.9	-29.8	172.9	-61.5	177.5	0	0	0	113.3	H356 R362	H356-L358 VanDerWaalsContact CE1-CD1 3.49Å; H356-L358 WeakPolarHBondContact CE1-CD1 3.25Å; H356-L358 WeakPolarHBondContact ND1-CG 3.48Å; H356-L358 PolarHBondContact O-N 2.97Å; H356-L358 VanDerWaalsContact O-N 3.1Å; L358-R362 VanDerWaalsContact O-CB 3.28Å; L358-R362 WeakPolarHBondContact O-CB 3.34Å; L358-R362 PolarHBondContact O-N 3.27Å
359	C	65.8	Low	63.7	Low	40 Å²	40	84.5 Å²	84.5	27%	0.27	50%	0.504	S	S	.	.	H	α-helix	trans	-70.8	-43.3	178.1	-168.2	0	0	0	0	111	H356 P357 R362 W363	H356-C359 WeakPolarHBondContact O-CB 3.32Å; H356-C359 PolarHBondContact O-N 3.03Å; P357-C359 VanDerWaalsContact C-N 3.28Å; P357-C359 PolarHBondContact O-N 3.24Å; C359-R362 WeakPolarHBondContact O-CB 3.47Å; C359-R362 PolarHBondContact O-N 2.85Å; C359-W363 PolarHBondContact O-N 2.91Å; C359-W363 VanDerWaalsContact O-N 3.1Å
360	C	70.1	Confident	65.3	Low	81 Å²	81	79.8 Å²	79.8	55%	0.547	48%	0.481	S	S	.	.	H	α-helix	trans	-63.6	-45.5	173.5	-62.4	0	0	0	0	111.4	P357 R362 W363 L364	P357-C360 PolarHBondContact O-N 2.94Å; C360-R362 VanDerWaalsContact C-N 3.3Å; C360-R362 PolarHBondContact O-N 3.07Å; C360-W363 PolarHBondContact O-N 2.99Å; C360-L364 WeakPolarHBondContact O-CB 3.28Å; C360-L364 VanDerWaalsContact O-CG 3.29Å; C360-L364 WeakPolarHBondContact O-CG 3.35Å; C360-L364 PolarHBondContact O-N 2.93Å
361	A	73.2	Confident	67.1	Low	43 Å²	43	81.6 Å²	81.6	36%	0.355	48%	0.483	S	S	.	.	H	α-helix	trans	-58.3	-41.1	175	0	0	0	0	0	111.9	P357 L364 A365	P357-A361 WeakPolarHBondContact O-CB 3.5Å; P357-A361 PolarHBondContact O-N 3.07Å; A361-L364 PolarHBondContact O-N 2.94Å; A361-A365 VanDerWaalsContact O-CB 3.24Å; A361-A365 WeakPolarHBondContact O-CB 3.2Å; A361-A365 PolarHBondContact O-N 3.49Å
362	R	76.7	Confident	69	Low	17 Å²	17	81.5 Å²	81.5	6%	0.064	48%	0.478	C	S	.	.	H	α-helix	trans	-59.5	-51.1	176	178.1	177.9	69.1	142.8	-4.3	112.7	L330 M334 S346 L358 C359 C360 A365 L366	L330-R362 HydrophobicContact CD2-CG 4.04Å; M334-R362 HydrophobicContact CE-CB 3.97Å; M334-R362 HydrophobicContact CE-CG 4.07Å; M334-R362 WeakPolarHBondContact SD-CA 3.21Å; M334-R362 HydrophobicContact SD-CB 3.72Å; M334-R362 HydrophobicContact SD-CG 4.42Å; S346-R362 PolarHBondContact O-NH1 3.09Å; S346-R362 PolarHBondContact O-NH2 2.86Å; L358-R362 VanDerWaalsContact O-CB 3.28Å; L358-R362 WeakPolarHBondContact O-CB 3.34Å; L358-R362 PolarHBondContact O-N 3.27Å; C359-R362 WeakPolarHBondContact O-CB 3.47Å; C359-R362 PolarHBondContact O-N 2.85Å; C360-R362 VanDerWaalsContact C-N 3.3Å; C360-R362 PolarHBondContact O-N 3.07Å; R362-A365 PolarHBondContact O-N 3.46Å; R362-L366 HydrophobicContact CG-CD1 4.07Å; R362-L366 WeakPolarHBondContact O-CB 3.33Å; R362-L366 WeakPolarHBondContact O-CG 3.25Å; R362-L366 PolarHBondContact O-N 2.9Å
363	W	76.8	Confident	71.2	Confident	116 Å²	116	79.8 Å²	79.8	44%	0.439	46%	0.455	S	S	.	.	H	α-helix	trans	-68.9	-35	-179.4	-71.7	115.2	0	0	0	112.4	C359 C360 L366 L367	C359-W363 PolarHBondContact O-N 2.91Å; C359-W363 VanDerWaalsContact O-N 3.1Å; C360-W363 PolarHBondContact O-N 2.99Å; W363-L366 HydrophobicContact CE3-CD1 4.26Å; W363-L366 HydrophobicContact CZ3-CD1 4.38Å; W363-L367 WeakPolarHBondContact O-CB 3.38Å; W363-L367 PolarHBondContact O-N 3.5Å
364	L	81.1	Confident	73.1	Confident	115 Å²	115	80 Å²	80	60%	0.602	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-42.3	172.3	-71.9	171	0	0	0	112.4	C360 A361 L367 A368	C360-L364 WeakPolarHBondContact O-CB 3.28Å; C360-L364 VanDerWaalsContact O-CG 3.29Å; C360-L364 WeakPolarHBondContact O-CG 3.35Å; C360-L364 PolarHBondContact O-N 2.93Å; A361-L364 PolarHBondContact O-N 2.94Å; L364-L367 PolarHBondContact O-N 3.17Å; L364-A368 WeakPolarHBondContact O-CB 3.28Å; L364-A368 PolarHBondContact O-N 2.87Å
365	A	80.1	Confident	75.1	Confident	27 Å²	27	74 Å²	74	22%	0.223	42%	0.418	C	S	.	.	H	α-helix	trans	-64.9	-42.8	176.9	0	0	0	0	0	112	L329 M334 A361 R362 L369	L329-A365 HydrophobicContact CD2-CB 4.15Å; M334-A365 HydrophobicContact CE-CB 4.17Å; A361-A365 VanDerWaalsContact O-CB 3.24Å; A361-A365 WeakPolarHBondContact O-CB 3.2Å; A361-A365 PolarHBondContact O-N 3.49Å; R362-A365 PolarHBondContact O-N 3.46Å; A365-L369 VanDerWaalsContact O-CB 3.3Å; A365-L369 WeakPolarHBondContact O-CB 3.44Å; A365-L369 PolarHBondContact O-N 3.39Å
366	L	81.2	Confident	76.9	Confident	20 Å²	20	69.2 Å²	69.2	11%	0.105	39%	0.385	C	S	.	.	H	α-helix	trans	-66.8	-37.9	174.4	-70.7	173.2	0	0	0	112.3	A326 L330 R362 W363 L369 S370	A326-L366 HydrophobicContact CB-CD2 3.93Å; L330-L366 HydrophobicContact CD2-CD1 4.45Å; L330-L366 HydrophobicContact CD2-CD2 4.09Å; L330-L366 HydrophobicContact CD2-CG 4.22Å; L330-L366 HydrophobicContact CG-CD2 4.44Å; R362-L366 HydrophobicContact CG-CD1 4.07Å; R362-L366 WeakPolarHBondContact O-CB 3.33Å; R362-L366 WeakPolarHBondContact O-CG 3.25Å; R362-L366 PolarHBondContact O-N 2.9Å; W363-L366 HydrophobicContact CE3-CD1 4.26Å; W363-L366 HydrophobicContact CZ3-CD1 4.38Å; L366-L369 PolarHBondContact O-N 3.06Å; L366-S370 WeakPolarHBondContact O-CB 3.38Å; L366-S370 PolarHBondContact O-N 2.86Å
367	L	82.6	Confident	78.1	Confident	103 Å²	103	66.7 Å²	66.7	54%	0.539	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-47.1	175.6	-174.9	150.6	0	0	0	111	W363 L364 L369 S370 L371	W363-L367 WeakPolarHBondContact O-CB 3.38Å; W363-L367 PolarHBondContact O-N 3.5Å; L364-L367 PolarHBondContact O-N 3.17Å; L367-L369 PolarHBondContact O-N 3.21Å; L367-S370 PolarHBondContact O-N 3.36Å; L367-S370 PolarHBondContact O-OG 3.18Å; L367-L371 HydrophobicContact CD2-CD1 4.47Å; L367-L371 PolarHBondContact O-N 2.83Å
368	A	84.4	Confident	79.4	Confident	40 Å²	40	64.9 Å²	64.9	33%	0.331	37%	0.368	S	S	.	.	H	α-helix	trans	-57.6	-48.4	173.6	0	0	0	0	0	111.2	L364 S370 L371 F372	L364-A368 WeakPolarHBondContact O-CB 3.28Å; L364-A368 PolarHBondContact O-N 2.87Å; A368-S370 VanDerWaalsContact C-N 3.27Å; A368-S370 PolarHBondContact O-N 3.35Å; A368-L371 WeakPolarHBondContact O-CB 3.24Å; A368-L371 PolarHBondContact O-N 2.87Å; A368-L371 VanDerWaalsContact O-N 3.07Å; A368-F372 WeakPolarHBondContact O-CD2 3.37Å; A368-F372 PolarHBondContact O-N 3.14Å
369	L	83.2	Confident	80.5	Confident	25 Å²	25	60.5 Å²	60.5	13%	0.131	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-35.2	177	-176.7	62.7	0	0	0	112.5	C325 A326 L329 A365 L366 L367 L371 F372 V373 M376	C325-L369 VanDerWaalsContact C-CD2 3.46Å; C325-L369 HydrophobicContact CB-CD1 4.27Å; C325-L369 HydrophobicContact CB-CD2 4.06Å; C325-L369 WeakPolarHBondContact O-CD2 3.24Å; A326-L369 HydrophobicContact CB-CD2 4.32Å; L329-L369 HydrophobicContact CB-CD2 4.27Å; L329-L369 HydrophobicContact CD2-CB 3.9Å; L329-L369 HydrophobicContact CD2-CD2 3.79Å; L329-L369 HydrophobicContact CD2-CG 4.31Å; A365-L369 VanDerWaalsContact O-CB 3.3Å; A365-L369 WeakPolarHBondContact O-CB 3.44Å; A365-L369 PolarHBondContact O-N 3.39Å; L366-L369 PolarHBondContact O-N 3.06Å; L367-L369 PolarHBondContact O-N 3.21Å; L369-L371 PolarHBondContact O-N 3.16Å; L369-F372 PolarHBondContact O-N 2.83Å; L369-F372 VanDerWaalsContact O-N 3.16Å; L369-V373 HydrophobicContact CD1-CB 4.49Å; L369-V373 HydrophobicContact CD1-CG2 3.82Å; L369-V373 HydrophobicContact CG-CG2 4.5Å; L369-V373 PolarHBondContact O-N 2.94Å; L369-M376 HydrophobicContact CD2-CE 3.48Å; L369-M376 VanDerWaalsContact CD2-CE 3.48Å; L369-M376 HydrophobicContact CD2-SD 4.44Å; L369-M376 HydrophobicContact CG-CE 3.94Å
370	S	84.6	Confident	81.1	Confident	32 Å²	32	63.4 Å²	63.4	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-23.9	176.6	78	0	0	0	0	113.8	L366 L367 A368 V373 P374	L366-S370 WeakPolarHBondContact O-CB 3.38Å; L366-S370 PolarHBondContact O-N 2.86Å; L367-S370 PolarHBondContact O-N 3.36Å; L367-S370 PolarHBondContact O-OG 3.18Å; A368-S370 VanDerWaalsContact C-N 3.27Å; A368-S370 PolarHBondContact O-N 3.35Å; S370-V373 CarbonylContact O-C 3.6Å; S370-P374 WeakPolarHBondContact O-CA 3.35Å
371	L	83.5	Confident	81.7	Confident	130 Å²	130	63 Å²	63	68%	0.681	35%	0.354	S	S	*	.	H	α-helix	trans	-73.8	-36.2	172.3	-62	172.2	0	0	0	112	L367 A368 L369	L367-L371 HydrophobicContact CD2-CD1 4.47Å; L367-L371 PolarHBondContact O-N 2.83Å; A368-L371 WeakPolarHBondContact O-CB 3.24Å; A368-L371 PolarHBondContact O-N 2.87Å; A368-L371 VanDerWaalsContact O-N 3.07Å; L369-L371 PolarHBondContact O-N 3.16Å
372	F	83.3	Confident	82.1	Confident	175 Å²	175	64.6 Å²	64.6	77%	0.768	36%	0.356	S	S	*	.	H	α-helix	trans	-83.1	-28.2	177.4	-63.1	-71.3	0	0	0	113.3	A368 L369	A368-F372 WeakPolarHBondContact O-CD2 3.37Å; A368-F372 PolarHBondContact O-N 3.14Å; L369-F372 PolarHBondContact O-N 2.83Å; L369-F372 VanDerWaalsContact O-N 3.16Å
373	V	86.8	Confident	82.3	Confident	27 Å²	27	66.7 Å²	66.7	16%	0.164	36%	0.363	C	S	.	.			trans	-130.5	71.8	-175.2	-170.3	0	0	0	0	109.5	C322 L369 S370 C375 M376	C322-V373 HydrophobicContact CB-CG1 3.63Å; L369-V373 HydrophobicContact CD1-CB 4.49Å; L369-V373 HydrophobicContact CD1-CG2 3.82Å; L369-V373 HydrophobicContact CG-CG2 4.5Å; L369-V373 PolarHBondContact O-N 2.94Å; S370-V373 CarbonylContact O-C 3.6Å; V373-C375 PolarHBondContact O-N 3.25Å; V373-C375 VanDerWaalsContact O-N 3.16Å; V373-M376 HydrophobicContact CB-CG 3.94Å; V373-M376 HydrophobicContact CG1-CG 3.6Å; V373-M376 VanDerWaalsContact O-CB 3.24Å; V373-M376 WeakPolarHBondContact O-CB 3.3Å; V373-M376 VanDerWaalsContact O-CG 3.25Å; V373-M376 WeakPolarHBondContact O-CG 3.24Å; V373-M376 PolarHBondContact O-N 3.26Å
374	P	82.2	Confident	82.5	Confident	88 Å²	88	63.6 Å²	63.6	57%	0.571	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.8	-170.8	25	-35.1	0	0	0	114.4	S370 M376 C377	S370-P374 WeakPolarHBondContact O-CA 3.35Å; P374-M376 PolarHBondContact O-N 3.46Å; P374-C377 WeakPolarHBondContact O-CB 3.35Å; P374-C377 PolarHBondContact O-N 2.92Å; P374-C377 VanDerWaalsContact O-N 3.14Å
375	C	83.3	Confident	82.6	Confident	42 Å²	42	62.1 Å²	62.1	28%	0.284	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-64.3	-17.8	173.6	57.9	0	0	0	0	113.4	T321 V373 C377 C378	T321-C375 WeakPolarHBondContact CA-O 3.48Å; V373-C375 PolarHBondContact O-N 3.25Å; V373-C375 VanDerWaalsContact O-N 3.16Å; C375-C377 VanDerWaalsContact C-N 3.26Å; C375-C377 PolarHBondContact O-N 3.1Å; C375-C378 WeakPolarHBondContact O-CB 3.29Å; C375-C378 PolarHBondContact O-N 3.38Å; C375-C378 VanDerWaalsContact O-N 3.15Å
376	M	82.8	Confident	82.7	Confident	23 Å²	23	61.8 Å²	61.8	11%	0.113	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-60.2	-35.1	171.2	-69.1	-108.5	-63.7	0	0	112.5	T321 C325 A326 L369 V373 P374 C378 Y379	T321-M376 VanDerWaalsContact O-CA 3.27Å; T321-M376 WeakPolarHBondContact O-CA 3.32Å; T321-M376 WeakPolarHBondContact O-CG 3.25Å; T321-M376 PolarHBondContact O-N 2.68Å; C325-M376 HydrophobicContact CB-SD 4.46Å; A326-M376 HydrophobicContact CB-CE 3.47Å; A326-M376 VanDerWaalsContact CB-CE 3.47Å; A326-M376 HydrophobicContact CB-SD 3.92Å; L369-M376 HydrophobicContact CD2-CE 3.48Å; L369-M376 VanDerWaalsContact CD2-CE 3.48Å; L369-M376 HydrophobicContact CD2-SD 4.44Å; L369-M376 HydrophobicContact CG-CE 3.94Å; V373-M376 HydrophobicContact CB-CG 3.94Å; V373-M376 HydrophobicContact CG1-CG 3.6Å; V373-M376 VanDerWaalsContact O-CB 3.24Å; V373-M376 WeakPolarHBondContact O-CB 3.3Å; V373-M376 VanDerWaalsContact O-CG 3.25Å; V373-M376 WeakPolarHBondContact O-CG 3.24Å; V373-M376 PolarHBondContact O-N 3.26Å; P374-M376 PolarHBondContact O-N 3.46Å; M376-C378 PolarHBondContact O-N 3.37Å; M376-Y379 WeakPolarHBondContact O-CB 3.49Å; M376-Y379 PolarHBondContact O-N 2.96Å
377	C	81.1	Confident	82.7	Confident	59 Å²	59	67.3 Å²	67.3	40%	0.399	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-61.9	-26.2	178.1	-62.4	0	0	0	0	112.1	P374 C375 Y379 P381	P374-C377 WeakPolarHBondContact O-CB 3.35Å; P374-C377 PolarHBondContact O-N 2.92Å; P374-C377 VanDerWaalsContact O-N 3.14Å; C375-C377 VanDerWaalsContact C-N 3.26Å; C375-C377 PolarHBondContact O-N 3.1Å; C377-Y379 VanDerWaalsContact C-N 3.27Å; C377-Y379 PolarHBondContact O-N 3.36Å; C377-P381 VanDerWaalsContact O-CD 3.28Å; C377-P381 WeakPolarHBondContact O-CD 3.24Å
378	C	84.1	Confident	82.7	Confident	58 Å²	58	65.9 Å²	65.9	39%	0.392	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-75.3	-12	175.4	-59.8	0	0	0	0	113.2	T321 C375 M376 P381 L382	T321-C378 HydrophobicContact CG2-CB 4.41Å; C375-C378 WeakPolarHBondContact O-CB 3.29Å; C375-C378 PolarHBondContact O-N 3.38Å; C375-C378 VanDerWaalsContact O-N 3.15Å; M376-C378 PolarHBondContact O-N 3.37Å; C378-P381 WeakPolarHBondContact O-CD 3.29Å; C378-P381 WeakPolarHBondContact O-CG 3.47Å; C378-L382 HydrophobicContact CB-CD1 3.92Å; C378-L382 HydrophobicContact CB-CG 4.45Å; C378-L382 VanDerWaalsContact O-CB 3.22Å; C378-L382 WeakPolarHBondContact O-CB 3.4Å; C378-L382 WeakPolarHBondContact O-CG 3.34Å; C378-L382 PolarHBondContact O-N 3.39Å
379	Y	83.2	Confident	82.5	Confident	10 Å²	10	64.6 Å²	64.6	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-48	-178.8	-176.8	-112.7	0	0	0	113.2	L317 T321 V323 M376 C377 R383	L317-Y379 HydrophobicContact CD1-CD2 4.41Å; L317-Y379 HydrophobicContact CD2-CE2 4.31Å; L317-Y379 HydrophobicContact CG-CD2 4.23Å; L317-Y379 HydrophobicContact CG-CE2 4.28Å; T321-Y379 HydrophobicContact CG2-CD2 4.28Å; T321-Y379 VanDerWaalsContact OG1-CD2 3.31Å; T321-Y379 WeakPolarHBondContact OG1-CD2 3.46Å; V323-Y379 HydrophobicContact CB-CD2 4.02Å; V323-Y379 HydrophobicContact CB-CE2 4.1Å; V323-Y379 HydrophobicContact CB-CG 4.36Å; V323-Y379 HydrophobicContact CG1-CD2 4.21Å; V323-Y379 HydrophobicContact CG1-CE2 3.85Å; V323-Y379 HydrophobicContact CG2-CD1 4.01Å; V323-Y379 HydrophobicContact CG2-CD2 4.08Å; V323-Y379 HydrophobicContact CG2-CE1 3.99Å; V323-Y379 HydrophobicContact CG2-CE2 4.04Å; V323-Y379 HydrophobicContact CG2-CG 4.03Å; M376-Y379 WeakPolarHBondContact O-CB 3.49Å; M376-Y379 PolarHBondContact O-N 2.96Å; C377-Y379 VanDerWaalsContact C-N 3.27Å; C377-Y379 PolarHBondContact O-N 3.36Å; Y379-R383 WeakPolarHBondContact O-CB 3.18Å; Y379-R383 PolarHBondContact O-N 3.32Å; Y379-R383 WeakPolarHBondContact OH-CD 3.47Å; Y379-R383 PolarHBondContact OH-NH1 3.43Å
380	L	79.5	Confident	82.4	Confident	100 Å²	100	67.3 Å²	67.3	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-62.8	-52.1	179.9	-65.5	178.3	0	0	0	113.3	C345 R383 A384	C345-L380 HydrophobicContact CB-CD2 4.14Å; L380-R383 PolarHBondContact O-N 2.88Å; L380-A384 WeakPolarHBondContact O-CB 3.46Å; L380-A384 PolarHBondContact O-N 2.93Å
381	P	82.6	Confident	82.1	Confident	74 Å²	74	76.1 Å²	76.1	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-42.1	178	23.6	-32.7	0	0	0	112.2	C377 C378 R383 A384 C385	C377-P381 VanDerWaalsContact O-CD 3.28Å; C377-P381 WeakPolarHBondContact O-CD 3.24Å; C378-P381 WeakPolarHBondContact O-CD 3.29Å; C378-P381 WeakPolarHBondContact O-CG 3.47Å; P381-R383 PolarHBondContact O-N 2.84Å; P381-A384 WeakPolarHBondContact O-CB 3.3Å; P381-A384 PolarHBondContact O-N 3.33Å; P381-C385 PolarHBondContact O-N 3.37Å; P381-C385 PolarHBondContact O-SG 3.36Å; P381-C385 VanDerWaalsContact O-SG 3.32Å
382	L	80.4	Confident	82	Confident	76 Å²	76	74.7 Å²	74.7	40%	0.398	40%	0.403	S	S	.	.	H	α-helix	trans	-69.5	-33.7	178.9	-65.8	172.4	0	0	0	112.6	L317 T321 C378 A384 C385 L386	L317-L382 HydrophobicContact CD1-CB 3.36Å; L317-L382 HydrophobicContact CD1-CD1 4.03Å; L317-L382 HydrophobicContact CD1-CG 4.35Å; T321-L382 HydrophobicContact CG2-CD1 3.98Å; C378-L382 HydrophobicContact CB-CD1 3.92Å; C378-L382 HydrophobicContact CB-CG 4.45Å; C378-L382 VanDerWaalsContact O-CB 3.22Å; C378-L382 WeakPolarHBondContact O-CB 3.4Å; C378-L382 WeakPolarHBondContact O-CG 3.34Å; C378-L382 PolarHBondContact O-N 3.39Å; L382-A384 VanDerWaalsContact C-N 3.35Å; L382-C385 PolarHBondContact O-N 2.84Å; L382-L386 WeakPolarHBondContact O-CB 3.37Å; L382-L386 PolarHBondContact O-N 2.89Å
383	R	81.1	Confident	81.5	Confident	60 Å²	60	68.2 Å²	68.2	23%	0.226	39%	0.386	C	S	.	.	H	α-helix	trans	-69.5	-31.9	172.2	-166.3	168.3	-175.9	-163.8	-3.9	111.8	L317 Y379 L380 P381 R387	L317-R383 HydrophobicContact CD2-CB 3.92Å; L317-R383 HydrophobicContact CD2-CG 4.28Å; Y379-R383 WeakPolarHBondContact O-CB 3.18Å; Y379-R383 PolarHBondContact O-N 3.32Å; Y379-R383 WeakPolarHBondContact OH-CD 3.47Å; Y379-R383 PolarHBondContact OH-NH1 3.43Å; L380-R383 PolarHBondContact O-N 2.88Å; P381-R383 PolarHBondContact O-N 2.84Å; R383-R387 WeakPolarHBondContact O-CG 3.4Å; R383-R387 PolarHBondContact O-N 2.9Å
384	A	81.9	Confident	81.1	Confident	51 Å²	51	70.7 Å²	70.7	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-45.3	169.8	0	0	0	0	0	111.3	L380 P381 L382 L386 R387 C388	L380-A384 WeakPolarHBondContact O-CB 3.46Å; L380-A384 PolarHBondContact O-N 2.93Å; P381-A384 WeakPolarHBondContact O-CB 3.3Å; P381-A384 PolarHBondContact O-N 3.33Å; L382-A384 VanDerWaalsContact C-N 3.35Å; A384-L386 VanDerWaalsContact C-N 3.34Å; A384-L386 PolarHBondContact O-N 3.1Å; A384-R387 PolarHBondContact O-N 3.48Å; A384-C388 PolarHBondContact O-N 3.49Å; A384-C388 PolarHBondContact O-SG 2.96Å; A384-C388 VanDerWaalsContact O-SG 3.4Å
385	C	83.4	Confident	80.9	Confident	84 Å²	84	67.5 Å²	67.5	57%	0.568	38%	0.383	S	S	*	.	H	α-helix	trans	-59.3	-41.9	172.9	-68.1	0	0	0	0	112.3	P381 L382 C388 G389	P381-C385 PolarHBondContact O-N 3.37Å; P381-C385 PolarHBondContact O-SG 3.36Å; P381-C385 VanDerWaalsContact O-SG 3.32Å; L382-C385 PolarHBondContact O-N 2.84Å; C385-C388 WeakPolarHBondContact O-CB 3.38Å; C385-C388 PolarHBondContact O-N 2.91Å; C385-G389 PolarHBondContact O-N 3.07Å
386	L	80.9	Confident	80.7	Confident	20 Å²	20	65.9 Å²	65.9	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-48.1	175.2	-173.5	70.4	0	0	0	111.2	A313 L314 L317 L382 A384 C388 G389 E390 C395	A313-L386 HydrophobicContact CB-CD1 3.59Å; L314-L386 HydrophobicContact CB-CD2 3.99Å; L314-L386 HydrophobicContact CD1-CD2 3.9Å; L317-L386 HydrophobicContact CD2-CB 4.46Å; L317-L386 HydrophobicContact CD2-CD2 3.86Å; L382-L386 WeakPolarHBondContact O-CB 3.37Å; L382-L386 PolarHBondContact O-N 2.89Å; A384-L386 VanDerWaalsContact C-N 3.34Å; A384-L386 PolarHBondContact O-N 3.1Å; L386-C388 VanDerWaalsContact C-N 3.27Å; L386-C388 PolarHBondContact O-N 3.31Å; L386-G389 CarbonylContact O-C 3.51Å; L386-G389 WeakPolarHBondContact O-CA 3.14Å; L386-G389 PolarHBondContact O-N 3.17Å; L386-E390 WeakPolarHBondContact O-CG 3.36Å; L386-E390 PolarHBondContact O-N 3.3Å; L386-C395 HydrophobicContact CD1-CB 4.35Å
387	R	81.3	Confident	80.7	Confident	137 Å²	137	65.1 Å²	65.1	52%	0.517	37%	0.372	S	S	.	.	H	α-helix	trans	-59.1	-35.2	174.7	-74.4	173.7	178.2	-177.7	1.5	113	R383 A384 E390 R391	R383-R387 WeakPolarHBondContact O-CG 3.4Å; R383-R387 PolarHBondContact O-N 2.9Å; A384-R387 PolarHBondContact O-N 3.48Å; R387-E390 WeakPolarHBondContact CA-OE2 3.39Å; R387-R391 WeakPolarHBondContact O-CB 3.28Å; R387-R391 VanDerWaalsContact O-CG 3.26Å; R387-R391 WeakPolarHBondContact O-CG 3.47Å; R387-R391 PolarHBondContact O-N 2.84Å; R387-R391 VanDerWaalsContact O-N 3.1Å
388	C	82.6	Confident	81	Confident	72 Å²	72	67.1 Å²	67.1	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-43.7	172.1	-70.7	0	0	0	0	111.3	A384 C385 L386 E390 R391 C392	A384-C388 PolarHBondContact O-N 3.49Å; A384-C388 PolarHBondContact O-SG 2.96Å; A384-C388 VanDerWaalsContact O-SG 3.4Å; C385-C388 WeakPolarHBondContact O-CB 3.38Å; C385-C388 PolarHBondContact O-N 2.91Å; L386-C388 VanDerWaalsContact C-N 3.27Å; L386-C388 PolarHBondContact O-N 3.31Å; C388-E390 PolarHBondContact O-N 2.65Å; C388-R391 PolarHBondContact O-N 3.5Å; C388-C392 WeakPolarHBondContact O-CB 3.13Å; C388-C392 PolarHBondContact O-N 2.71Å; C388-C392 PolarHBondContact O-SG 3.41Å; C388-C392 VanDerWaalsContact O-SG 3.32Å
389	G	81.3	Confident	81.1	Confident	14 Å²	14	65.6 Å²	65.6	14%	0.144	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-38.5	174.6	0	0	0	0	0	113.6	C385 L386 C392 G393 C394 C395	C385-G389 PolarHBondContact O-N 3.07Å; L386-G389 CarbonylContact O-C 3.51Å; L386-G389 WeakPolarHBondContact O-CA 3.14Å; L386-G389 PolarHBondContact O-N 3.17Å; G389-C392 CarbonylContact O-C 3.54Å; G389-C392 PolarHBondContact O-N 3.45Å; G389-G393 PolarHBondContact O-N 2.85Å; G389-C394 PolarHBondContact O-N 3.19Å; G389-C395 VanDerWaalsContact CA-SG 3.53Å
390	E	80.6	Confident	81.3	Confident	81 Å²	81	70.9 Å²	70.9	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-47.2	172.6	-70.3	172.1	155.6	0	0	111	L386 R387 C388 C392 G393 C395	L386-E390 WeakPolarHBondContact O-CG 3.36Å; L386-E390 PolarHBondContact O-N 3.3Å; R387-E390 WeakPolarHBondContact CA-OE2 3.39Å; C388-E390 PolarHBondContact O-N 2.65Å; E390-C392 VanDerWaalsContact C-N 3.27Å; E390-C392 PolarHBondContact O-N 3.16Å; E390-G393 PolarHBondContact O-N 3.33Å; E390-G393 VanDerWaalsContact O-N 3.08Å; E390-C395 PolarHBondContact N-SG 2.81Å; E390-C395 VanDerWaalsContact N-SG 3.43Å
391	R	79.1	Confident	81.5	Confident	218 Å²	218	68 Å²	68	82%	0.823	38%	0.375	S	S	*	.	H	α-helix	trans	-63.5	-30.5	177	-73.6	171.5	178.5	-172.1	-0.6	113.2	R387 C388	R387-R391 WeakPolarHBondContact O-CB 3.28Å; R387-R391 VanDerWaalsContact O-CG 3.26Å; R387-R391 WeakPolarHBondContact O-CG 3.47Å; R387-R391 PolarHBondContact O-N 2.84Å; R387-R391 VanDerWaalsContact O-N 3.1Å; C388-R391 PolarHBondContact O-N 3.5Å
392	C	81.4	Confident	81.4	Confident	99 Å²	99	68.5 Å²	68.5	67%	0.669	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.7	175	-66.2	0	0	0	0	113.7	C388 G389 E390 C394	C388-C392 WeakPolarHBondContact O-CB 3.13Å; C388-C392 PolarHBondContact O-N 2.71Å; C388-C392 PolarHBondContact O-SG 3.41Å; C388-C392 VanDerWaalsContact O-SG 3.32Å; G389-C392 CarbonylContact O-C 3.54Å; G389-C392 PolarHBondContact O-N 3.45Å; E390-C392 VanDerWaalsContact C-N 3.27Å; E390-C392 PolarHBondContact O-N 3.16Å; C392-C394 VanDerWaalsContact C-N 3.32Å; C392-C394 PolarHBondContact O-N 3.4Å
393	G	72.9	Confident	80.5	Confident	39 Å²	39	79.8 Å²	79.8	40%	0.402	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	15.5	-177.5	0	0	0	0	0	115	G389 E390	G389-G393 PolarHBondContact O-N 2.85Å; E390-G393 PolarHBondContact O-N 3.33Å; E390-G393 VanDerWaalsContact O-N 3.08Å
394	C	78	Confident	80.5	Confident	79 Å²	79	80.8 Å²	80.8	53%	0.534	42%	0.423	S	S	.	.	S	Bend	trans	-80.8	-27.2	-179.2	-57.9	0	0	0	0	113	R303 G389 C392	R303-C394 WeakPolarHBondContact CD-O 3.46Å; R303-C394 PolarHBondContact NH1-O 3.02Å; G389-C394 PolarHBondContact O-N 3.19Å; C392-C394 VanDerWaalsContact C-N 3.32Å; C392-C394 PolarHBondContact O-N 3.4Å
395	C	78.2	Confident	80.4	Confident	22 Å²	22	82.3 Å²	82.3	15%	0.149	42%	0.423	C	S	.	.	S	Bend	trans	-148.5	-177.3	-177.6	55.5	0	0	0	0	111.5	R303 G304 A313 L386 G389 E390	R303-C395 CarbonylContact C-O 3.56Å; R303-C395 WeakPolarHBondContact CB-O 3.31Å; G304-C395 PolarHBondContact N-O 3.4Å; A313-C395 HydrophobicContact CB-CB 4.3Å; L386-C395 HydrophobicContact CD1-CB 4.35Å; G389-C395 VanDerWaalsContact CA-SG 3.53Å; E390-C395 PolarHBondContact N-SG 2.81Å; E390-C395 VanDerWaalsContact N-SG 3.43Å
396	G	78.9	Confident	80.2	Confident	7 Å²	7	82.2 Å²	82.2	7%	0.072	42%	0.415	C	S	.	.	S	Bend	trans	96.5	159.6	-177.7	0	0	0	0	0	114.3	G304 D311	G304-G396 PolarHBondContact N-O 3.45Å; D311-G396 PolarHBondContact OD1-N 2.92Å
397	G	83.1	Confident	80.2	Confident	8 Å²	8	85.9 Å²	85.9	8%	0.082	43%	0.433	C	S	.	.			trans	-57.9	144.3	-172.5	0	0	0	0	0	115.7	G304 R305 C306	G304-G397 CarbonylContact C-O 3.51Å; G304-G397 WeakPolarHBondContact CA-O 3.41Å; G304-G397 PolarHBondContact N-O 3.21Å; G304-G397 VanDerWaalsContact N-O 3.15Å; R305-G397 PolarHBondContact N-O 3.29Å; R305-G397 VanDerWaalsContact N-O 3.11Å; C306-G397 PolarHBondContact N-O 3.45Å
398	K	87	Confident	80.1	Confident	101 Å²	101	82.7 Å²	82.7	44%	0.439	43%	0.428	S	S	.	.			trans	-110.4	152.8	177.1	-68.8	-165.5	175.8	-164.5	0	111.7	R303 C306 A309	R303-K398 VanDerWaalsContact CG-CE 3.46Å; C306-K398 VanDerWaalsContact CB-C 3.41Å; A309-K398 WeakPolarHBondContact CB-O 3.22Å
399	H	86.7	Confident	80	Confident	26 Å²	26	83.4 Å²	83.4	12%	0.12	42%	0.424	C	S	.	.			trans	-68.6	137.6	169.9	-58.5	-84.1	0	0	0	110	C289 C292 S294 F296 N301 R305 C306	C289-H399 HydrophobicContact CB-CB 4.12Å; C292-H399 VanDerWaalsContact SG-CE1 3.57Å; C292-H399 PolarHBondContact SG-ND1 3.37Å; C292-H399 VanDerWaalsContact SG-ND1 3.38Å; S294-H399 PolarHBondContact OG-CE1 2.78Å; F296-H399 HydrophobicContact CB-CB 4.29Å; F296-H399 HydrophobicContact CD1-CB 3.55Å; F296-H399 AromaticContact CD1-CG 3.95Å; F296-H399 HydrophobicContact CD2-CB 3.57Å; F296-H399 HydrophobicContact CE1-CB 3.64Å; F296-H399 HydrophobicContact CE2-CB 3.66Å; F296-H399 HydrophobicContact CG-CB 3.52Å; F296-H399 AromaticContact CG-CG 3.71Å; F296-H399 HydrophobicContact CZ-CB 3.69Å; N301-H399 PolarHBondContact ND2-O 3.47Å; N301-H399 WeakPolarHBondContact OD1-CB 3.34Å; N301-H399 PolarHBondContact OD1-N 2.9Å; R305-H399 PolarHBondContact O-NE2 3.32Å; C306-H399 HydrophobicContact CB-CB 4.42Å
400	K	86.3	Confident	79.9	Confident	120 Å²	120	88.4 Å²	88.4	52%	0.522	44%	0.444	S	S	.	.			trans	-114.6	126.2	170.8	-176.1	175.5	-178.7	179.5	0	107.5	C289 V290 Y291	C289-K400 CarbonylContact C-O 3.48Å; C289-K400 VanDerWaalsContact CA-O 3.31Å; C289-K400 WeakPolarHBondContact CA-O 3.22Å; V290-K400 WeakPolarHBondContact CG2-O 3.39Å; V290-K400 PolarHBondContact N-O 3.17Å; Y291-K400 HydrophobicContact CD2-CB 4.21Å; Y291-K400 HydrophobicContact CE2-CB 3.42Å; Y291-K400 VanDerWaalsContact CE2-CB 3.42Å; Y291-K400 HydrophobicContact CE2-CD 4.42Å; Y291-K400 WeakPolarHBondContact OH-CD 3.28Å
401	A	84.4	Confident	79.8	Confident	40 Å²	40	88.9 Å²	88.9	33%	0.331	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-64.6	140.6	177.2	0	0	0	0	0	110.3	F296 R403	F296-A401 HydrophobicContact CE1-CB 4.44Å; F296-A401 HydrophobicContact CZ-CB 4.06Å; A401-R403 PolarHBondContact O-N 3.33Å
402	V	79.1	Confident	79.9	Confident	85 Å²	85	78.2 Å²	78.2	52%	0.515	42%	0.418	S	S	.	.			trans	-62.1	128.3	159.7	-178.7	0	0	0	0	106.8	R288 V290	R288-V402 PolarHBondContact O-N 2.95Å; V290-V402 HydrophobicContact CB-CG2 4.49Å; V290-V402 HydrophobicContact CG2-CB 4.33Å; V290-V402 HydrophobicContact CG2-CG2 3.77Å
403	R	62.6	Low	79.7	Confident	312 Å²	312	76.3 Å²	76.3	100%	1.177	40%	0.395	S	S	*	.			trans	-81.8	0	172.1	-87.4	-174.3	172.6	144.6	-3.5	110.3	A401	A401-R403 PolarHBondContact O-N 3.33Å

Retrieved 403 of 403 residues in 161 ms (Link to these results)

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