A0A5K4FBZ1_SCHMA Loading...

Parafibromin

AlphaFold DB , UniProt , Accession A0A5K4FBZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 721 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.1	Very low	83.8	Confident	165 Å²	165	45.5 Å²	45.5	81%	0.813	24%	0.241	S	C	*	.				0	121.7	0	-68.8	167.2	98.2	0	0	106.7	I116	M1-I116 HydrophobicContact CB-CD1 3.89Å; M1-I116 HydrophobicContact CE-CD1 4.45Å; M1-I116 HydrophobicContact CE-CG2 3.54Å; M1-I116 HydrophobicContact SD-CD1 4.07Å
2	A	67.9	Low	84.4	Confident	62 Å²	62	47.8 Å²	47.8	51%	0.512	25%	0.249	S	C	.	.			trans	-67.3	140.9	177.6	0	0	0	0	0	109.5
3	D	84.7	Confident	84.9	Confident	27 Å²	27	50.8 Å²	50.8	14%	0.144	27%	0.265	C	S	.	.			trans	-68.7	160.2	169.9	58	-77	0	0	0	111.4	L5 S6 L7 N39 V114	D3-L5 PolarHBondContact O-N 3.29Å; D3-L5 WeakPolarHBondContact OD2-CB 3.03Å; D3-L5 PolarHBondContact OD2-N 3.07Å; D3-S6 PolarHBondContact O-N 3.14Å; D3-S6 WeakPolarHBondContact OD1-CB 3.37Å; D3-S6 PolarHBondContact OD1-OG 2.76Å; D3-S6 PolarHBondContact OD2-N 2.86Å; D3-S6 PolarHBondContact OD2-OG 3.29Å; D3-L7 PolarHBondContact O-N 3.29Å; D3-N39 PolarHBondContact OD2-ND2 3.28Å; D3-V114 HydrophobicContact CB-CG1 3.84Å; D3-V114 HydrophobicContact CB-CG2 3.92Å
4	V	88.8	Confident	85.3	Confident	9 Å²	9	51.6 Å²	51.6	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-30.4	-176.7	71.9	0	0	0	0	112.8	L8 F27 W32 T36 T38 L57	V4-L8 WeakPolarHBondContact O-CB 3.49Å; V4-L8 PolarHBondContact O-N 3.49Å; V4-F27 HydrophobicContact CG2-CE2 4.33Å; V4-W32 HydrophobicContact CG2-CD2 4.12Å; V4-W32 HydrophobicContact CG2-CG 4.04Å; V4-T36 HydrophobicContact CG1-CG2 4.42Å; V4-T38 HydrophobicContact CG1-CG2 4.17Å; V4-L57 HydrophobicContact CG2-CD1 3.9Å; V4-L57 HydrophobicContact CG2-CD2 3.91Å; V4-L57 HydrophobicContact CG2-CG 4.48Å
5	L	90.5	Very high	85.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-74.3	-42.7	178.1	-175	69.1	0	0	0	111.3	D3 L7 L8 R9 T38 N39 F40 V60 L94 Y97 L98 I108	D3-L5 PolarHBondContact O-N 3.29Å; D3-L5 WeakPolarHBondContact OD2-CB 3.03Å; D3-L5 PolarHBondContact OD2-N 3.07Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.71Å; L5-L8 PolarHBondContact O-N 3.25Å; L5-R9 PolarHBondContact O-N 2.85Å; L5-T38 HydrophobicContact CB-CG2 4.48Å; L5-T38 HydrophobicContact CD1-CG2 4.4Å; L5-N39 WeakPolarHBondContact CB-OD1 3.45Å; L5-N39 WeakPolarHBondContact CD2-OD1 3.29Å; L5-F40 HydrophobicContact CD2-CB 3.95Å; L5-F40 HydrophobicContact CD2-CD2 4.26Å; L5-V60 HydrophobicContact CD1-CG1 3.92Å; L5-L94 HydrophobicContact CD1-CD1 4.31Å; L5-Y97 HydrophobicContact CD2-CD1 4.37Å; L5-Y97 HydrophobicContact CD2-CE1 3.99Å; L5-Y97 HydrophobicContact CG-CD1 4.48Å; L5-Y97 HydrophobicContact CG-CE1 3.9Å; L5-L98 HydrophobicContact CD1-CD2 4.22Å; L5-I108 HydrophobicContact CD2-CD1 4.34Å; L5-I108 HydrophobicContact CD2-CG1 4.42Å
6	S	88.8	Confident	85.7	Confident	33 Å²	33	55.1 Å²	55.1	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-39.2	171.3	-68.5	0	0	0	0	112.1	D3 R9 E10 Y97	D3-S6 PolarHBondContact O-N 3.14Å; D3-S6 WeakPolarHBondContact OD1-CB 3.37Å; D3-S6 PolarHBondContact OD1-OG 2.76Å; D3-S6 PolarHBondContact OD2-N 2.86Å; D3-S6 PolarHBondContact OD2-OG 3.29Å; S6-R9 WeakPolarHBondContact O-CB 3.33Å; S6-R9 PolarHBondContact O-N 3.07Å; S6-E10 PolarHBondContact O-N 3Å; S6-Y97 PolarHBondContact OG-OH 2.91Å; S6-Y97 VanDerWaalsContact OG-OH 3.09Å
7	L	89	Confident	85.8	Confident	26 Å²	26	58.1 Å²	58.1	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-44.4	176.1	-169.7	71.1	0	0	0	111.7	D3 L5 R9 E10 Y11 F27 W32	D3-L7 PolarHBondContact O-N 3.29Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.71Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.17Å; L7-E10 PolarHBondContact O-N 2.9Å; L7-Y11 HydrophobicContact CD1-CD2 4.05Å; L7-Y11 HydrophobicContact CD1-CE2 3.71Å; L7-Y11 HydrophobicContact CG-CD2 4.05Å; L7-Y11 HydrophobicContact CG-CE2 4.01Å; L7-Y11 WeakPolarHBondContact O-CD2 3.21Å; L7-Y11 PolarHBondContact O-N 3.48Å; L7-F27 HydrophobicContact CD2-CB 3.81Å; L7-F27 HydrophobicContact CD2-CD2 3.99Å; L7-F27 HydrophobicContact CD2-CG 3.94Å; L7-F27 HydrophobicContact CG-CB 4.35Å; L7-F27 HydrophobicContact CG-CG 4.37Å; L7-W32 HydrophobicContact CD2-CE3 4.47Å; L7-W32 HydrophobicContact CD2-CH2 3.18Å; L7-W32 HydrophobicContact CD2-CZ2 4.05Å; L7-W32 HydrophobicContact CD2-CZ3 3.45Å; L7-W32 VanDerWaalsContact CD2-CZ3 3.45Å
8	L	91.2	Very high	86	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-43.7	174.6	176.1	62.6	0	0	0	111.4	V4 L5 Y11 H12 I18 F27 L57 V60 V61 L64 L98	V4-L8 WeakPolarHBondContact O-CB 3.49Å; V4-L8 PolarHBondContact O-N 3.49Å; L5-L8 PolarHBondContact O-N 3.25Å; L8-Y11 PolarHBondContact O-N 3.35Å; L8-H12 WeakPolarHBondContact O-CB 3.38Å; L8-H12 PolarHBondContact O-N 3.29Å; L8-I18 HydrophobicContact CD1-CD1 3.7Å; L8-F27 HydrophobicContact CB-CE1 4.19Å; L8-F27 HydrophobicContact CB-CZ 4.11Å; L8-F27 HydrophobicContact CD1-CE1 3.64Å; L8-F27 HydrophobicContact CD1-CZ 3.86Å; L8-L57 HydrophobicContact CD2-CD1 4.18Å; L8-V60 HydrophobicContact CD2-CB 4.17Å; L8-V60 HydrophobicContact CD2-CG1 3.64Å; L8-V61 HydrophobicContact CD1-CG2 4.01Å; L8-V61 HydrophobicContact CD2-CG2 4.05Å; L8-L64 HydrophobicContact CD1-CD2 4.14Å; L8-L98 HydrophobicContact CD2-CD2 4.3Å; L8-L98 HydrophobicContact CG-CD2 4.34Å
9	R	91.1	Very high	86.2	Confident	53 Å²	53	58.8 Å²	58.8	20%	0.2	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-46.8	174	175.5	179.5	-178.9	-102.4	1.4	111.6	L5 S6 L7 Y11 H12 L13 Y97 L98 T102	L5-R9 PolarHBondContact O-N 2.85Å; S6-R9 WeakPolarHBondContact O-CB 3.33Å; S6-R9 PolarHBondContact O-N 3.07Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.17Å; R9-Y11 PolarHBondContact O-N 2.93Å; R9-H12 PolarHBondContact O-N 3.49Å; R9-L13 HydrophobicContact CG-CD1 3.75Å; R9-L13 HydrophobicContact CG-CG 4.28Å; R9-L13 WeakPolarHBondContact O-CB 3.43Å; R9-L13 VanDerWaalsContact O-CG 3.26Å; R9-L13 WeakPolarHBondContact O-CG 3.5Å; R9-L13 PolarHBondContact O-N 2.9Å; R9-Y97 HydrophobicContact CB-CE1 4.18Å; R9-Y97 VanDerWaalsContact CD-CZ 3.48Å; R9-Y97 WeakPolarHBondContact CD-O 3.29Å; R9-Y97 HydrophobicContact CG-CE1 4.46Å; R9-Y97 PolarHBondContact NE-O 3.43Å; R9-L98 HydrophobicContact CB-CD2 4.33Å; R9-T102 PolarHBondContact NH2-O 3.5Å
10	E	90.2	Very high	86.3	Confident	95 Å²	95	59.2 Å²	59.2	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-45.6	178.7	-171.1	-167.7	144.5	0	0	111.9	S6 L7 L13 S14 K16	S6-E10 PolarHBondContact O-N 3Å; L7-E10 PolarHBondContact O-N 2.9Å; E10-L13 PolarHBondContact O-N 3Å; E10-S14 VanDerWaalsContact O-CB 3.29Å; E10-S14 WeakPolarHBondContact O-CB 3.38Å; E10-S14 PolarHBondContact O-N 3.33Å; E10-S14 PolarHBondContact O-OG 3.18Å; E10-K16 IonicContact OE1-NZ 3.7Å
11	Y	91	Very high	86.4	Confident	30 Å²	30	59.4 Å²	59.4	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-40.9	178.5	-88.5	-113.7	0	0	0	111.8	L7 L8 R9 S14 G15 K16 I18 F27 G28	L7-Y11 HydrophobicContact CD1-CD2 4.05Å; L7-Y11 HydrophobicContact CD1-CE2 3.71Å; L7-Y11 HydrophobicContact CG-CD2 4.05Å; L7-Y11 HydrophobicContact CG-CE2 4.01Å; L7-Y11 WeakPolarHBondContact O-CD2 3.21Å; L7-Y11 PolarHBondContact O-N 3.48Å; L8-Y11 PolarHBondContact O-N 3.35Å; R9-Y11 PolarHBondContact O-N 2.93Å; Y11-S14 WeakPolarHBondContact CA-OG 3.26Å; Y11-S14 PolarHBondContact O-OG 3.3Å; Y11-G15 PolarHBondContact O-N 3.38Å; Y11-G15 VanDerWaalsContact O-N 3.09Å; Y11-K16 HydrophobicContact CD1-CB 3.46Å; Y11-K16 VanDerWaalsContact CD1-CB 3.46Å; Y11-K16 HydrophobicContact CD1-CD 4.09Å; Y11-K16 HydrophobicContact CD1-CG 4.43Å; Y11-K16 HydrophobicContact CD2-CD 4.46Å; Y11-K16 HydrophobicContact CE1-CB 3.91Å; Y11-K16 HydrophobicContact CE1-CD 3.99Å; Y11-K16 HydrophobicContact CE2-CD 4.37Å; Y11-K16 HydrophobicContact CG-CB 4.05Å; Y11-K16 HydrophobicContact CG-CD 4.32Å; Y11-K16 PolarHBondContact O-N 3.09Å; Y11-I18 HydrophobicContact CD1-CG1 4.37Å; Y11-F27 HydrophobicContact CD1-CB 4.18Å; Y11-F27 AromaticContact CD1-CD1 3.93Å; Y11-F27 HydrophobicContact CD1-CD1 3.93Å; Y11-F27 HydrophobicContact CD2-CB 4.29Å; Y11-F27 HydrophobicContact CD2-CD1 4.16Å; Y11-F27 HydrophobicContact CE1-CB 3.8Å; Y11-F27 HydrophobicContact CE1-CD1 4.41Å; Y11-F27 HydrophobicContact CE2-CB 3.91Å; Y11-F27 HydrophobicContact CG-CB 4.42Å; Y11-F27 AromaticContact CG-CD1 3.79Å; Y11-F27 HydrophobicContact CG-CD1 3.79Å; Y11-F27 PolarHBondContact OH-O 3.17Å; Y11-G28 PolarHBondContact OH-N 3.47Å
12	H	90.5	Very high	88	Confident	73 Å²	73	60.6 Å²	60.6	34%	0.338	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-45.8	176.1	-174.6	60.9	0	0	0	112.3	L8 R9 S14 G15 L64	L8-H12 WeakPolarHBondContact O-CB 3.38Å; L8-H12 PolarHBondContact O-N 3.29Å; R9-H12 PolarHBondContact O-N 3.49Å; H12-S14 VanDerWaalsContact C-N 3.35Å; H12-S14 PolarHBondContact O-N 2.65Å; H12-G15 PolarHBondContact O-N 3.15Å; H12-L64 HydrophobicContact CB-CD2 4.06Å
13	L	91.1	Very high	88.9	Confident	88 Å²	88	61.1 Å²	61.1	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-67.8	-33.3	179.1	-71.3	176.9	0	0	0	113.1	R9 E10 G15 K99	R9-L13 HydrophobicContact CG-CD1 3.75Å; R9-L13 HydrophobicContact CG-CG 4.28Å; R9-L13 WeakPolarHBondContact O-CB 3.43Å; R9-L13 VanDerWaalsContact O-CG 3.26Å; R9-L13 WeakPolarHBondContact O-CG 3.5Å; R9-L13 PolarHBondContact O-N 2.9Å; E10-L13 PolarHBondContact O-N 3Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-K99 WeakPolarHBondContact CD2-O 3.33Å
14	S	90	Very high	89.2	Confident	61 Å²	61	61.6 Å²	61.6	43%	0.427	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.5	177.5	57.6	0	0	0	0	113.8	E10 Y11 H12 K16	E10-S14 VanDerWaalsContact O-CB 3.29Å; E10-S14 WeakPolarHBondContact O-CB 3.38Å; E10-S14 PolarHBondContact O-N 3.33Å; E10-S14 PolarHBondContact O-OG 3.18Å; Y11-S14 WeakPolarHBondContact CA-OG 3.26Å; Y11-S14 PolarHBondContact O-OG 3.3Å; H12-S14 VanDerWaalsContact C-N 3.35Å; H12-S14 PolarHBondContact O-N 2.65Å; S14-K16 PolarHBondContact O-N 3.35Å; S14-K16 WeakPolarHBondContact OG-CD 3.39Å; S14-K16 WeakPolarHBondContact OG-CG 3.37Å
15	G	88.3	Confident	89.3	Confident	67 Å²	67	61.1 Å²	61.1	69%	0.691	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	20.2	-176.6	0	0	0	0	0	114	Y11 H12 L13	Y11-G15 PolarHBondContact O-N 3.38Å; Y11-G15 VanDerWaalsContact O-N 3.09Å; H12-G15 PolarHBondContact O-N 3.15Å; L13-G15 VanDerWaalsContact C-N 3.33Å
16	K	89.3	Confident	89.2	Confident	92 Å²	92	62.6 Å²	62.6	40%	0.4	35%	0.347	S	S	.	.			trans	-71.1	146	177.4	-72.6	174.2	-172.2	171.9	0	110.3	E10 Y11 S14 I18	E10-K16 IonicContact OE1-NZ 3.7Å; Y11-K16 HydrophobicContact CD1-CB 3.46Å; Y11-K16 VanDerWaalsContact CD1-CB 3.46Å; Y11-K16 HydrophobicContact CD1-CD 4.09Å; Y11-K16 HydrophobicContact CD1-CG 4.43Å; Y11-K16 HydrophobicContact CD2-CD 4.46Å; Y11-K16 HydrophobicContact CE1-CB 3.91Å; Y11-K16 HydrophobicContact CE1-CD 3.99Å; Y11-K16 HydrophobicContact CE2-CD 4.37Å; Y11-K16 HydrophobicContact CG-CB 4.05Å; Y11-K16 HydrophobicContact CG-CD 4.32Å; Y11-K16 PolarHBondContact O-N 3.09Å; S14-K16 PolarHBondContact O-N 3.35Å; S14-K16 WeakPolarHBondContact OG-CD 3.39Å; S14-K16 WeakPolarHBondContact OG-CG 3.37Å; K16-I18 PolarHBondContact O-N 2.82Å
17	P	87	Confident	89.2	Confident	106 Å²	106	61 Å²	61	69%	0.688	34%	0.337	S	S	*	.			trans	-65.9	130.7	178.8	27.6	-34	0	0	0	110.7
18	I	89.8	Confident	89.1	Confident	52 Å²	52	61.7 Å²	61.7	27%	0.267	35%	0.35	S	S	.	.			trans	-105.6	109.7	171.4	-58.8	163.5	0	0	0	106.4	L8 Y11 K16 V25 F27 L64	L8-I18 HydrophobicContact CD1-CD1 3.7Å; Y11-I18 HydrophobicContact CD1-CG1 4.37Å; K16-I18 PolarHBondContact O-N 2.82Å; I18-V25 HydrophobicContact CG2-CG1 3.7Å; I18-F27 HydrophobicContact CB-CE1 4.47Å; I18-F27 HydrophobicContact CD1-CE1 4.27Å; I18-F27 HydrophobicContact CG1-CD1 4.13Å; I18-F27 HydrophobicContact CG1-CE1 3.98Å; I18-F27 HydrophobicContact CG2-CD1 4.19Å; I18-F27 HydrophobicContact CG2-CE1 3.72Å; I18-F27 HydrophobicContact CG2-CZ 4.32Å; I18-L64 HydrophobicContact CD1-CD2 4.49Å
19	V	89.3	Confident	88.7	Confident	79 Å²	79	65.3 Å²	65.3	48%	0.479	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.7	-177.6	178.6	0	0	0	0	108.7	I26	V19-I26 HydrophobicContact CB-CB 4.17Å; V19-I26 HydrophobicContact CG1-CD1 4.28Å; V19-I26 PolarHBondContact N-O 3.36Å; V19-I26 PolarHBondContact O-N 2.9Å
20	E	88.2	Confident	88.5	Confident	66 Å²	66	67 Å²	67	31%	0.308	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.4	180	-173.6	-174.2	143.1	0	0	110.2	K34 K65	E20-K34 VanDerWaalsContact CD-CE 3.5Å; E20-K34 WeakPolarHBondContact OE1-CE 3.35Å; E20-K34 IonicContact OE1-NZ 3.55Å; E20-K34 PolarHBondContact OE1-NZ 3.08Å; E20-K65 VanDerWaalsContact OE2-CE 3.3Å; E20-K65 WeakPolarHBondContact OE2-CE 3.35Å; E20-K65 IonicContact OE2-NZ 2.55Å; E20-K65 PolarHBondContact OE2-NZ 3.44Å
21	T	87.7	Confident	88.3	Confident	64 Å²	64	62.5 Å²	62.5	39%	0.393	36%	0.357	S	S	.	.			trans	-95.2	175	172.4	-52.5	0	0	0	0	109.4	S23 E24 K34	T21-S23 PolarHBondContact O-N 3.09Å; T21-E24 PolarHBondContact N-O 3.14Å; T21-K34 WeakPolarHBondContact O-CE 3.44Å; T21-K34 PolarHBondContact O-NZ 3.35Å
22	Q	84	Confident	88.2	Confident	190 Å²	190	62.1 Å²	62.1	89%	0.888	36%	0.356	S	S	*	.	S	Bend	trans	-55.9	-36.3	177.7	-67.8	179.8	-2.4	0	0	113	K34	Q22-K34 PolarHBondContact O-NZ 2.8Å
23	S	86.9	Confident	88.2	Confident	72 Å²	72	60 Å²	60	50%	0.503	35%	0.348	S	S	.	.	S	Bend	trans	-117.1	-20.2	-174.5	53	0	0	0	0	115.3	T21 K34	T21-S23 PolarHBondContact O-N 3.09Å; S23-K34 PolarHBondContact O-N 2.89Å
24	E	90.6	Very high	88.2	Confident	37 Å²	37	57.1 Å²	57.1	17%	0.173	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.3	-169.7	-65.7	-179.8	160.5	0	0	111.6	T21 A31 W32 R120	T21-E24 PolarHBondContact N-O 3.14Å; E24-A31 HydrophobicContact CB-CB 4.49Å; E24-W32 CarbonylContact C-O 3.55Å; E24-W32 VanDerWaalsContact CA-O 3.26Å; E24-W32 WeakPolarHBondContact CA-O 3.48Å; E24-R120 IonicContact OE1-CZ 3.78Å; E24-R120 IonicContact OE1-NE 3.15Å; E24-R120 PolarHBondContact OE1-NE 3.19Å; E24-R120 VanDerWaalsContact OE1-NE 3.15Å; E24-R120 IonicContact OE1-NH2 3.62Å
25	V	90.1	Very high	88.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.4	172	-176.2	0	0	0	0	107.9	I18 F27 A31 W32 K34 L57 V61	I18-V25 HydrophobicContact CG2-CG1 3.7Å; V25-F27 HydrophobicContact CB-CE2 4.28Å; V25-F27 HydrophobicContact CG1-CD2 4.37Å; V25-F27 HydrophobicContact CG1-CE1 4.21Å; V25-F27 HydrophobicContact CG1-CE2 3.67Å; V25-F27 HydrophobicContact CG1-CZ 3.56Å; V25-A31 WeakPolarHBondContact O-CA 3.46Å; V25-W32 PolarHBondContact N-O 2.95Å; V25-W32 PolarHBondContact O-N 3.43Å; V25-K34 HydrophobicContact CG2-CG 3.82Å; V25-L57 HydrophobicContact CB-CD2 3.73Å; V25-L57 HydrophobicContact CB-CG 4.44Å; V25-L57 HydrophobicContact CG1-CD2 4.3Å; V25-L57 HydrophobicContact CG2-CD2 3.86Å; V25-L57 HydrophobicContact CG2-CG 4.16Å; V25-V61 HydrophobicContact CG1-CG2 4.43Å
26	I	89.7	Confident	88.3	Confident	30 Å²	30	56.5 Å²	56.5	15%	0.154	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.1	-173.2	-53.8	171	0	0	0	109.3	V19 G28 F30 A31 V122	V19-I26 HydrophobicContact CB-CB 4.17Å; V19-I26 HydrophobicContact CG1-CD1 4.28Å; V19-I26 PolarHBondContact N-O 3.36Å; V19-I26 PolarHBondContact O-N 2.9Å; I26-G28 WeakPolarHBondContact CG2-O 3.42Å; I26-F30 CarbonylContact C-O 3.49Å; I26-F30 WeakPolarHBondContact CA-O 3.43Å; I26-A31 HydrophobicContact CG1-CB 3.97Å; I26-V122 HydrophobicContact CD1-CG2 4.35Å; I26-V122 HydrophobicContact CG1-CG2 4.28Å; I26-V122 HydrophobicContact CG2-CG2 3.81Å
27	F	88.9	Confident	88.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	92.7	172	-54.9	-84.1	0	0	0	108.7	V4 L7 L8 Y11 I18 V25 D29 F30 W32 L57	V4-F27 HydrophobicContact CG2-CE2 4.33Å; L7-F27 HydrophobicContact CD2-CB 3.81Å; L7-F27 HydrophobicContact CD2-CD2 3.99Å; L7-F27 HydrophobicContact CD2-CG 3.94Å; L7-F27 HydrophobicContact CG-CB 4.35Å; L7-F27 HydrophobicContact CG-CG 4.37Å; L8-F27 HydrophobicContact CB-CE1 4.19Å; L8-F27 HydrophobicContact CB-CZ 4.11Å; L8-F27 HydrophobicContact CD1-CE1 3.64Å; L8-F27 HydrophobicContact CD1-CZ 3.86Å; Y11-F27 HydrophobicContact CD1-CB 4.18Å; Y11-F27 AromaticContact CD1-CD1 3.93Å; Y11-F27 HydrophobicContact CD1-CD1 3.93Å; Y11-F27 HydrophobicContact CD2-CB 4.29Å; Y11-F27 HydrophobicContact CD2-CD1 4.16Å; Y11-F27 HydrophobicContact CE1-CB 3.8Å; Y11-F27 HydrophobicContact CE1-CD1 4.41Å; Y11-F27 HydrophobicContact CE2-CB 3.91Å; Y11-F27 HydrophobicContact CG-CB 4.42Å; Y11-F27 AromaticContact CG-CD1 3.79Å; Y11-F27 HydrophobicContact CG-CD1 3.79Å; Y11-F27 PolarHBondContact OH-O 3.17Å; I18-F27 HydrophobicContact CB-CE1 4.47Å; I18-F27 HydrophobicContact CD1-CE1 4.27Å; I18-F27 HydrophobicContact CG1-CD1 4.13Å; I18-F27 HydrophobicContact CG1-CE1 3.98Å; I18-F27 HydrophobicContact CG2-CD1 4.19Å; I18-F27 HydrophobicContact CG2-CE1 3.72Å; I18-F27 HydrophobicContact CG2-CZ 4.32Å; V25-F27 HydrophobicContact CB-CE2 4.28Å; V25-F27 HydrophobicContact CG1-CD2 4.37Å; V25-F27 HydrophobicContact CG1-CE1 4.21Å; V25-F27 HydrophobicContact CG1-CE2 3.67Å; V25-F27 HydrophobicContact CG1-CZ 3.56Å; F27-D29 PolarHBondContact O-N 2.93Å; F27-F30 PolarHBondContact N-O 2.98Å; F27-F30 PolarHBondContact O-N 3.49Å; F27-W32 HydrophobicContact CB-CZ3 4.03Å; F27-W32 AromaticContact CD2-CE3 3.46Å; F27-W32 HydrophobicContact CD2-CE3 3.46Å; F27-W32 VanDerWaalsContact CD2-CE3 3.46Å; F27-W32 AromaticContact CD2-CZ3 3.47Å; F27-W32 HydrophobicContact CD2-CZ3 3.47Å; F27-W32 VanDerWaalsContact CD2-CZ3 3.47Å; F27-W32 HydrophobicContact CE2-CE3 4.01Å; F27-W32 HydrophobicContact CE2-CZ3 4.36Å; F27-W32 HydrophobicContact CG-CZ3 4.21Å; F27-L57 HydrophobicContact CE2-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD1 4.27Å
28	G	85.2	Confident	88.6	Confident	40 Å²	40	52 Å²	52	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-115.5	-177.3	0	0	0	0	0	111.6	Y11 I26 F30	Y11-G28 PolarHBondContact OH-N 3.47Å; I26-G28 WeakPolarHBondContact CG2-O 3.42Å; G28-F30 VanDerWaalsContact C-N 3.31Å; G28-F30 PolarHBondContact O-N 3.21Å
29	D	84	Confident	88.7	Confident	77 Å²	77	50 Å²	50	41%	0.412	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.8	-176.8	-66.3	-16.1	0	0	0	113.4	F27 A121 V122 K124	F27-D29 PolarHBondContact O-N 2.93Å; D29-A121 WeakPolarHBondContact O-CA 3.3Å; D29-V122 PolarHBondContact O-N 3.41Å; D29-K124 WeakPolarHBondContact OD1-CE 3.02Å; D29-K124 IonicContact OD1-NZ 3.94Å; D29-K124 VanDerWaalsContact OD2-CE 3.29Å; D29-K124 WeakPolarHBondContact OD2-CE 3.33Å; D29-K124 IonicContact OD2-NZ 3.35Å; D29-K124 PolarHBondContact OD2-NZ 3.09Å
30	F	85.8	Confident	88.9	Confident	89 Å²	89	46.3 Å²	46.3	39%	0.39	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.8	-173.5	-58.2	-72.2	0	0	0	112.4	I26 F27 G28 W32	I26-F30 CarbonylContact C-O 3.49Å; I26-F30 WeakPolarHBondContact CA-O 3.43Å; F27-F30 PolarHBondContact N-O 2.98Å; F27-F30 PolarHBondContact O-N 3.49Å; G28-F30 VanDerWaalsContact C-N 3.31Å; G28-F30 PolarHBondContact O-N 3.21Å; F30-W32 HydrophobicContact CB-CE3 4.14Å; F30-W32 HydrophobicContact CB-CH2 3.31Å; F30-W32 HydrophobicContact CB-CZ2 4.24Å; F30-W32 HydrophobicContact CB-CZ3 3.24Å; F30-W32 HydrophobicContact CD2-CH2 4.38Å; F30-W32 AromaticContact CG-CH2 3.99Å; F30-W32 HydrophobicContact CG-CH2 3.99Å; F30-W32 HydrophobicContact CG-CZ3 4.36Å; F30-W32 WeakPolarHBondContact O-CZ3 3.21Å
31	A	87.4	Confident	89	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140	174.2	0	0	0	0	0	111.2	E24 V25 I26 R119 R120 V122	E24-A31 HydrophobicContact CB-CB 4.49Å; V25-A31 WeakPolarHBondContact O-CA 3.46Å; I26-A31 HydrophobicContact CG1-CB 3.97Å; A31-R119 WeakPolarHBondContact O-CA 3.2Å; A31-R120 HydrophobicContact CB-CB 4.37Å; A31-R120 PolarHBondContact N-O 3.21Å; A31-R120 PolarHBondContact O-N 3.47Å; A31-V122 HydrophobicContact CB-CG2 3.68Å
32	W	88.7	Confident	89.3	Confident	22 Å²	22	42.3 Å²	42.3	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.8	171.9	-73.5	-94.8	0	0	0	110.4	V4 L7 E24 V25 F27 F30 L57 R119	V4-W32 HydrophobicContact CG2-CD2 4.12Å; V4-W32 HydrophobicContact CG2-CG 4.04Å; L7-W32 HydrophobicContact CD2-CE3 4.47Å; L7-W32 HydrophobicContact CD2-CH2 3.18Å; L7-W32 HydrophobicContact CD2-CZ2 4.05Å; L7-W32 HydrophobicContact CD2-CZ3 3.45Å; L7-W32 VanDerWaalsContact CD2-CZ3 3.45Å; E24-W32 CarbonylContact C-O 3.55Å; E24-W32 VanDerWaalsContact CA-O 3.26Å; E24-W32 WeakPolarHBondContact CA-O 3.48Å; V25-W32 PolarHBondContact N-O 2.95Å; V25-W32 PolarHBondContact O-N 3.43Å; F27-W32 HydrophobicContact CB-CZ3 4.03Å; F27-W32 AromaticContact CD2-CE3 3.46Å; F27-W32 HydrophobicContact CD2-CE3 3.46Å; F27-W32 VanDerWaalsContact CD2-CE3 3.46Å; F27-W32 AromaticContact CD2-CZ3 3.47Å; F27-W32 HydrophobicContact CD2-CZ3 3.47Å; F27-W32 VanDerWaalsContact CD2-CZ3 3.47Å; F27-W32 HydrophobicContact CE2-CE3 4.01Å; F27-W32 HydrophobicContact CE2-CZ3 4.36Å; F27-W32 HydrophobicContact CG-CZ3 4.21Å; F30-W32 HydrophobicContact CB-CE3 4.14Å; F30-W32 HydrophobicContact CB-CH2 3.31Å; F30-W32 HydrophobicContact CB-CZ2 4.24Å; F30-W32 HydrophobicContact CB-CZ3 3.24Å; F30-W32 HydrophobicContact CD2-CH2 4.38Å; F30-W32 AromaticContact CG-CH2 3.99Å; F30-W32 HydrophobicContact CG-CH2 3.99Å; F30-W32 HydrophobicContact CG-CZ3 4.36Å; F30-W32 WeakPolarHBondContact O-CZ3 3.21Å; W32-L57 HydrophobicContact CB-CD2 3.92Å; W32-R119 HydrophobicContact CZ2-CB 4.28Å
33	P	90.9	Very high	89.6	Confident	29 Å²	29	38.8 Å²	38.8	19%	0.188	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	141.3	168.3	-24.3	33.2	0	0	0	112	T35 T36	P33-T35 PolarHBondContact O-N 3.18Å; P33-T35 VanDerWaalsContact O-N 3.12Å; P33-T36 WeakPolarHBondContact CD-OG1 3.47Å; P33-T36 VanDerWaalsContact O-CB 3.25Å; P33-T36 WeakPolarHBondContact O-CB 3.35Å; P33-T36 PolarHBondContact O-N 2.79Å; P33-T36 PolarHBondContact O-OG1 3.44Å
34	K	90.1	Very high	89.6	Confident	27 Å²	27	36.7 Å²	36.7	12%	0.117	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.3	173.6	-82.6	-179	174.5	179.1	0	113.4	E20 T21 Q22 S23 V25 T36 D58	E20-K34 VanDerWaalsContact CD-CE 3.5Å; E20-K34 WeakPolarHBondContact OE1-CE 3.35Å; E20-K34 IonicContact OE1-NZ 3.55Å; E20-K34 PolarHBondContact OE1-NZ 3.08Å; T21-K34 WeakPolarHBondContact O-CE 3.44Å; T21-K34 PolarHBondContact O-NZ 3.35Å; Q22-K34 PolarHBondContact O-NZ 2.8Å; S23-K34 PolarHBondContact O-N 2.89Å; V25-K34 HydrophobicContact CG2-CG 3.82Å; K34-T36 VanDerWaalsContact C-N 3.26Å; K34-T36 PolarHBondContact O-N 2.82Å; K34-D58 HydrophobicContact CB-CB 3.91Å; K34-D58 HydrophobicContact CG-CB 4.28Å; K34-D58 WeakPolarHBondContact O-CB 3.35Å; K34-D58 PolarHBondContact O-N 3.4Å; K34-D58 VanDerWaalsContact O-N 3.16Å
35	T	90.1	Very high	89.4	Confident	109 Å²	109	35.5 Å²	35.5	67%	0.669	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.6	179.1	54.9	0	0	0	0	113.8	P33 K37	P33-T35 PolarHBondContact O-N 3.18Å; P33-T35 VanDerWaalsContact O-N 3.12Å; T35-K37 PolarHBondContact O-N 3.41Å
36	T	90.9	Very high	89	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.037	20%	0.204	C	C	.	.			trans	-57.8	125.4	179.5	-64	0	0	0	0	110.5	V4 P33 K34 T56 L57 L118	V4-T36 HydrophobicContact CG1-CG2 4.42Å; P33-T36 WeakPolarHBondContact CD-OG1 3.47Å; P33-T36 VanDerWaalsContact O-CB 3.25Å; P33-T36 WeakPolarHBondContact O-CB 3.35Å; P33-T36 PolarHBondContact O-N 2.79Å; P33-T36 PolarHBondContact O-OG1 3.44Å; K34-T36 VanDerWaalsContact C-N 3.26Å; K34-T36 PolarHBondContact O-N 2.82Å; T36-T56 CarbonylContact O-C 3.59Å; T36-T56 WeakPolarHBondContact O-CA 3.41Å; T36-L57 PolarHBondContact O-N 3.49Å; T36-L118 HydrophobicContact CG2-CD1 4.36Å
37	K	91.3	Very high	88.5	Confident	97 Å²	97	39.5 Å²	39.5	42%	0.422	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.1	177.6	-67.7	-77.3	177.5	167.4	0	109.6	T35 D53 Y54 T56	T35-K37 PolarHBondContact O-N 3.41Å; K37-D53 IonicContact NZ-OD1 3.17Å; K37-D53 PolarHBondContact NZ-OD1 2.92Å; K37-D53 IonicContact NZ-OD2 2.98Å; K37-Y54 WeakPolarHBondContact CD-O 3.45Å; K37-Y54 PolarHBondContact NZ-O 3.48Å; K37-T56 HydrophobicContact CD-CG2 4Å
38	T	91.7	Very high	87.8	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-179.6	171.7	67.3	0	0	0	0	110.4	V4 L5 F40 Y54 Y55 V60	V4-T38 HydrophobicContact CG1-CG2 4.17Å; L5-T38 HydrophobicContact CB-CG2 4.48Å; L5-T38 HydrophobicContact CD1-CG2 4.4Å; T38-F40 VanDerWaalsContact C-N 3.35Å; T38-F40 PolarHBondContact OG1-N 3.31Å; T38-Y54 WeakPolarHBondContact O-CB 3.41Å; T38-Y55 WeakPolarHBondContact CB-O 3.43Å; T38-Y55 WeakPolarHBondContact CG2-O 3.16Å; T38-Y55 PolarHBondContact N-O 3.27Å; T38-Y55 PolarHBondContact OG1-O 2.87Å; T38-V60 HydrophobicContact CG2-CG2 4.24Å
39	N	91.4	Very high	87.5	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.053	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	7.6	171.2	58	-2.8	0	0	0	113.2	D3 L5 D109 A112	D3-N39 PolarHBondContact OD2-ND2 3.28Å; L5-N39 WeakPolarHBondContact CB-OD1 3.45Å; L5-N39 WeakPolarHBondContact CD2-OD1 3.29Å; N39-D109 PolarHBondContact O-N 3.05Å; N39-A112 HydrophobicContact CB-CB 4.07Å
40	F	92.3	Very high	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.5	179	-161	-73.6	0	0	0	111.2	L5 T38 Y54 Y55 D90 L94 A105 N107 I108	L5-F40 HydrophobicContact CD2-CB 3.95Å; L5-F40 HydrophobicContact CD2-CD2 4.26Å; T38-F40 VanDerWaalsContact C-N 3.35Å; T38-F40 PolarHBondContact OG1-N 3.31Å; F40-Y54 VanDerWaalsContact O-CA 3.28Å; F40-Y54 WeakPolarHBondContact O-CA 3.08Å; F40-Y55 AromaticContact CD1-CD2 3.66Å; F40-Y55 HydrophobicContact CD1-CD2 3.66Å; F40-Y55 AromaticContact CD1-CE2 3.91Å; F40-Y55 HydrophobicContact CD1-CE2 3.91Å; F40-Y55 HydrophobicContact CE1-CD2 4.36Å; F40-Y55 HydrophobicContact CE1-CE2 4.17Å; F40-Y55 HydrophobicContact CG-CD2 4.46Å; F40-Y55 PolarHBondContact O-N 3.04Å; F40-D90 HydrophobicContact CE1-CB 3.77Å; F40-D90 HydrophobicContact CZ-CB 4.23Å; F40-L94 HydrophobicContact CD2-CD1 3.47Å; F40-L94 VanDerWaalsContact CD2-CD1 3.47Å; F40-L94 HydrophobicContact CE1-CB 4.48Å; F40-L94 HydrophobicContact CE2-CB 3.88Å; F40-L94 HydrophobicContact CE2-CD1 3.67Å; F40-L94 HydrophobicContact CE2-CG 4.35Å; F40-L94 HydrophobicContact CG-CD1 3.93Å; F40-L94 HydrophobicContact CZ-CB 3.84Å; F40-L94 HydrophobicContact CZ-CD1 4.3Å; F40-A105 HydrophobicContact CE2-CB 3.99Å; F40-N107 HydrophobicContact CD1-CB 4.18Å; F40-N107 HydrophobicContact CE1-CB 3.68Å; F40-N107 HydrophobicContact CE2-CB 4.27Å; F40-N107 HydrophobicContact CZ-CB 3.75Å; F40-I108 HydrophobicContact CD2-CD1 4.44Å; F40-I108 HydrophobicContact CD2-CG1 3.7Å; F40-I108 HydrophobicContact CE2-CG1 4.25Å
41	L	92.1	Very high	87.4	Confident	36 Å²	36	51.4 Å²	51.4	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.8	-176.8	-167.4	77	0	0	0	111.5	W43 S45 K52 D53 Y54 N107	L41-W43 PolarHBondContact O-N 3.28Å; L41-S45 VanDerWaalsContact CD1-OG 3.23Å; L41-S45 WeakPolarHBondContact CD1-OG 3.41Å; L41-S45 WeakPolarHBondContact CG-OG 3.46Å; L41-K52 HydrophobicContact CD1-CB 3.67Å; L41-K52 HydrophobicContact CD1-CD 4.31Å; L41-K52 HydrophobicContact CD1-CG 3.9Å; L41-D53 WeakPolarHBondContact CD1-O 3.36Å; L41-Y54 HydrophobicContact CB-CD1 4.48Å; L41-Y54 HydrophobicContact CB-CE1 4.44Å; L41-Y54 HydrophobicContact CD1-CD1 4.27Å; L41-Y54 HydrophobicContact CD1-CE1 3.9Å; L41-N107 HydrophobicContact CB-CB 4.42Å; L41-N107 WeakPolarHBondContact CB-O 3.49Å; L41-N107 PolarHBondContact N-O 3.2Å
42	V	93	Very high	87.5	Confident	10 Å²	10	57 Å²	57	6%	0.061	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67.6	128.1	174.8	178.6	0	0	0	0	110.3	G44 S45 D53 Y55	V42-G44 PolarHBondContact O-N 2.83Å; V42-G44 VanDerWaalsContact O-N 3.08Å; V42-S45 WeakPolarHBondContact O-CB 3.26Å; V42-S45 PolarHBondContact O-N 3.4Å; V42-S45 PolarHBondContact O-OG 3.12Å; V42-D53 WeakPolarHBondContact CG2-O 3.32Å; V42-D53 PolarHBondContact N-O 3.48Å; V42-Y55 HydrophobicContact CB-CE1 4.41Å; V42-Y55 HydrophobicContact CB-CE2 4.29Å; V42-Y55 HydrophobicContact CG1-CE1 4.15Å; V42-Y55 HydrophobicContact CG2-CD1 3.87Å; V42-Y55 HydrophobicContact CG2-CD2 4.07Å; V42-Y55 HydrophobicContact CG2-CE1 3.8Å; V42-Y55 HydrophobicContact CG2-CE2 4.05Å; V42-Y55 HydrophobicContact CG2-CG 3.98Å
43	W	91.1	Very high	87.6	Confident	116 Å²	116	59.4 Å²	59.4	44%	0.439	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	118	-178.8	178.7	-102.5	0	0	0	112.2	L41 R87 P89 D90	L41-W43 PolarHBondContact O-N 3.28Å; W43-R87 HydrophobicContact CB-CB 4.34Å; W43-R87 WeakPolarHBondContact O-CD 3.27Å; W43-R87 PolarHBondContact O-NH1 3.48Å; W43-P89 HydrophobicContact CB-CB 4.38Å; W43-P89 HydrophobicContact CD2-CB 3.74Å; W43-P89 HydrophobicContact CD2-CG 4.2Å; W43-P89 HydrophobicContact CE3-CB 4.21Å; W43-P89 HydrophobicContact CG-CB 3.81Å; W43-P89 HydrophobicContact CG-CG 3.91Å; W43-D90 WeakPolarHBondContact CA-OD2 3.46Å; W43-D90 WeakPolarHBondContact CB-OD2 3.3Å; W43-D90 PolarHBondContact N-OD2 3.41Å
44	G	86.9	Confident	87.7	Confident	29 Å²	29	59.6 Å²	59.6	30%	0.299	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-8.6	179.4	0	0	0	0	0	114.3	V42	V42-G44 PolarHBondContact O-N 2.83Å; V42-G44 VanDerWaalsContact O-N 3.08Å
45	S	86.9	Confident	87.8	Confident	12 Å²	12	58.8 Å²	58.8	8%	0.084	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	153.9	164.1	81.9	0	0	0	0	110.1	L41 V42 K47 D53	L41-S45 VanDerWaalsContact CD1-OG 3.23Å; L41-S45 WeakPolarHBondContact CD1-OG 3.41Å; L41-S45 WeakPolarHBondContact CG-OG 3.46Å; V42-S45 WeakPolarHBondContact O-CB 3.26Å; V42-S45 PolarHBondContact O-N 3.4Å; V42-S45 PolarHBondContact O-OG 3.12Å; S45-K47 PolarHBondContact O-N 3.37Å; S45-D53 VanDerWaalsContact CB-N 3.31Å; S45-D53 PolarHBondContact OG-N 2.55Å; S45-D53 PolarHBondContact OG-O 3.46Å
46	G	79.7	Confident	88	Confident	23 Å²	23	54.6 Å²	54.6	24%	0.237	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	16.6	-177	0	0	0	0	0	115.2	T50 P51 K347	G46-T50 VanDerWaalsContact CA-O 3.3Å; G46-T50 WeakPolarHBondContact CA-O 3.47Å; G46-T50 PolarHBondContact N-O 2.81Å; G46-T50 PolarHBondContact N-OG1 3.23Å; G46-P51 PolarHBondContact N-O 3.27Å; G46-K347 PolarHBondContact O-NZ 3.21Å; G46-K347 VanDerWaalsContact O-NZ 3.09Å
47	K	80.9	Confident	88	Confident	90 Å²	90	54.3 Å²	54.3	39%	0.391	30%	0.301	S	S	.	.	S	Bend	trans	-112.8	145.3	171.9	-61.2	-175.3	-173.5	174.4	0	109.2	S45 G49 T50	S45-K47 PolarHBondContact O-N 3.37Å; K47-G49 VanDerWaalsContact C-N 3.31Å; K47-G49 PolarHBondContact O-N 3.43Å; K47-T50 PolarHBondContact N-OG1 3.45Å; K47-T50 WeakPolarHBondContact O-CB 3.15Å; K47-T50 PolarHBondContact O-N 3.19Å; K47-T50 PolarHBondContact O-OG1 2.9Å
48	E	74.4	Confident	88.1	Confident	195 Å²	195	50.7 Å²	50.7	91%	0.911	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	39.9	173.6	-59.6	-177.4	175.7	0	0	115.3	T50	E48-T50 PolarHBondContact O-N 3.24Å
49	G	77.5	Confident	88.1	Confident	85 Å²	85	50.5 Å²	50.5	88%	0.876	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-0.1	178.3	0	0	0	0	0	115.1	K47	K47-G49 VanDerWaalsContact C-N 3.31Å; K47-G49 PolarHBondContact O-N 3.43Å
50	T	82.7	Confident	88.2	Confident	68 Å²	68	50 Å²	50	42%	0.417	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-68.4	138.8	168	60.5	0	0	0	0	110	G46 K47 E48	G46-T50 VanDerWaalsContact CA-O 3.3Å; G46-T50 WeakPolarHBondContact CA-O 3.47Å; G46-T50 PolarHBondContact N-O 2.81Å; G46-T50 PolarHBondContact N-OG1 3.23Å; K47-T50 PolarHBondContact N-OG1 3.45Å; K47-T50 WeakPolarHBondContact O-CB 3.15Å; K47-T50 PolarHBondContact O-N 3.19Å; K47-T50 PolarHBondContact O-OG1 2.9Å; E48-T50 PolarHBondContact O-N 3.24Å
51	P	85.6	Confident	88.2	Confident	108 Å²	108	50.3 Å²	50.3	70%	0.701	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-60.3	149.7	176	25.5	-33	0	0	0	110.4	G46 D53	G46-P51 PolarHBondContact N-O 3.27Å; P51-D53 PolarHBondContact O-N 3.16Å
52	K	88.9	Confident	88.1	Confident	119 Å²	119	49.5 Å²	49.5	52%	0.517	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-63.4	129	168.5	-71.2	-177.6	175.5	-174.4	0	108	L41 Y54 D109	L41-K52 HydrophobicContact CD1-CB 3.67Å; L41-K52 HydrophobicContact CD1-CD 4.31Å; L41-K52 HydrophobicContact CD1-CG 3.9Å; K52-Y54 HydrophobicContact CB-CE2 4.4Å; K52-D109 IonicContact NZ-OD2 2.91Å; K52-D109 PolarHBondContact NZ-OD2 3.47Å
53	D	90.7	Very high	88.1	Confident	72 Å²	72	49 Å²	49	39%	0.385	28%	0.277	S	S	.	.			trans	-126.8	146.6	175.3	-169.9	18.2	0	0	0	109.1	K37 L41 V42 S45 P51	K37-D53 IonicContact NZ-OD1 3.17Å; K37-D53 PolarHBondContact NZ-OD1 2.92Å; K37-D53 IonicContact NZ-OD2 2.98Å; L41-D53 WeakPolarHBondContact CD1-O 3.36Å; V42-D53 WeakPolarHBondContact CG2-O 3.32Å; V42-D53 PolarHBondContact N-O 3.48Å; S45-D53 VanDerWaalsContact CB-N 3.31Å; S45-D53 PolarHBondContact OG-N 2.55Å; S45-D53 PolarHBondContact OG-O 3.46Å; P51-D53 PolarHBondContact O-N 3.16Å
54	Y	92.6	Very high	88.1	Confident	32 Å²	32	44.4 Å²	44.4	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.9	-173	-56	-84.7	0	0	0	111.1	K37 T38 F40 L41 K52 D109 A112	K37-Y54 WeakPolarHBondContact CD-O 3.45Å; K37-Y54 PolarHBondContact NZ-O 3.48Å; T38-Y54 WeakPolarHBondContact O-CB 3.41Å; F40-Y54 VanDerWaalsContact O-CA 3.28Å; F40-Y54 WeakPolarHBondContact O-CA 3.08Å; L41-Y54 HydrophobicContact CB-CD1 4.48Å; L41-Y54 HydrophobicContact CB-CE1 4.44Å; L41-Y54 HydrophobicContact CD1-CD1 4.27Å; L41-Y54 HydrophobicContact CD1-CE1 3.9Å; K52-Y54 HydrophobicContact CB-CE2 4.4Å; Y54-D109 HydrophobicContact CE1-CB 3.92Å; Y54-D109 PolarHBondContact OH-OD2 3.37Å; Y54-A112 HydrophobicContact CE1-CB 3.85Å; Y54-A112 HydrophobicContact CE2-CB 4.37Å
55	Y	93.9	Very high	88.3	Confident	10 Å²	10	48.7 Å²	48.7	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.9	174.9	-73.4	-66	0	0	0	110.6	T38 F40 V42 C59 V86 R87 D90	T38-Y55 WeakPolarHBondContact CB-O 3.43Å; T38-Y55 WeakPolarHBondContact CG2-O 3.16Å; T38-Y55 PolarHBondContact N-O 3.27Å; T38-Y55 PolarHBondContact OG1-O 2.87Å; F40-Y55 AromaticContact CD1-CD2 3.66Å; F40-Y55 HydrophobicContact CD1-CD2 3.66Å; F40-Y55 AromaticContact CD1-CE2 3.91Å; F40-Y55 HydrophobicContact CD1-CE2 3.91Å; F40-Y55 HydrophobicContact CE1-CD2 4.36Å; F40-Y55 HydrophobicContact CE1-CE2 4.17Å; F40-Y55 HydrophobicContact CG-CD2 4.46Å; F40-Y55 PolarHBondContact O-N 3.04Å; V42-Y55 HydrophobicContact CB-CE1 4.41Å; V42-Y55 HydrophobicContact CB-CE2 4.29Å; V42-Y55 HydrophobicContact CG1-CE1 4.15Å; V42-Y55 HydrophobicContact CG2-CD1 3.87Å; V42-Y55 HydrophobicContact CG2-CD2 4.07Å; V42-Y55 HydrophobicContact CG2-CE1 3.8Å; V42-Y55 HydrophobicContact CG2-CE2 4.05Å; V42-Y55 HydrophobicContact CG2-CG 3.98Å; Y55-C59 HydrophobicContact CD1-CB 4.37Å; Y55-V86 HydrophobicContact CD1-CG2 4.21Å; Y55-V86 HydrophobicContact CE1-CB 4.35Å; Y55-V86 HydrophobicContact CE1-CG2 4.27Å; Y55-V86 HydrophobicContact CE2-CG1 4.25Å; Y55-R87 WeakPolarHBondContact OH-CB 3.35Å; Y55-R87 WeakPolarHBondContact OH-CG 3.11Å; Y55-R87 PolarHBondContact OH-N 2.84Å; Y55-D90 HydrophobicContact CE2-CB 4.2Å; Y55-D90 WeakPolarHBondContact CE2-OD2 3.45Å; Y55-D90 PolarHBondContact OH-OD2 3.38Å
56	T	93.2	Very high	88.4	Confident	22 Å²	22	50 Å²	50	14%	0.135	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	157.8	172.4	63.2	0	0	0	0	110.4	T36 K37 D58 C59 V60	T36-T56 CarbonylContact O-C 3.59Å; T36-T56 WeakPolarHBondContact O-CA 3.41Å; K37-T56 HydrophobicContact CD-CG2 4Å; T56-D58 PolarHBondContact O-N 2.93Å; T56-C59 WeakPolarHBondContact O-CB 3.35Å; T56-C59 PolarHBondContact O-N 3.34Å; T56-C59 VanDerWaalsContact O-N 3.16Å; T56-C59 PolarHBondContact OG1-SG 3.34Å; T56-V60 PolarHBondContact O-N 3.28Å
57	L	91.9	Very high	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-54.7	-42.4	177.9	-176.3	59.2	0	0	0	111.7	V4 L8 V25 F27 W32 T36 C59 V60 V61	V4-L57 HydrophobicContact CG2-CD1 3.9Å; V4-L57 HydrophobicContact CG2-CD2 3.91Å; V4-L57 HydrophobicContact CG2-CG 4.48Å; L8-L57 HydrophobicContact CD2-CD1 4.18Å; V25-L57 HydrophobicContact CB-CD2 3.73Å; V25-L57 HydrophobicContact CB-CG 4.44Å; V25-L57 HydrophobicContact CG1-CD2 4.3Å; V25-L57 HydrophobicContact CG2-CD2 3.86Å; V25-L57 HydrophobicContact CG2-CG 4.16Å; F27-L57 HydrophobicContact CE2-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD1 4.27Å; W32-L57 HydrophobicContact CB-CD2 3.92Å; T36-L57 PolarHBondContact O-N 3.49Å; L57-C59 VanDerWaalsContact C-N 3.34Å; L57-C59 PolarHBondContact O-N 3.14Å; L57-V60 PolarHBondContact O-N 3Å; L57-V60 VanDerWaalsContact O-N 3.17Å; L57-V61 HydrophobicContact CD1-CG2 4.11Å; L57-V61 HydrophobicContact CG-CG2 4.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.17Å; L57-V61 PolarHBondContact O-N 2.98Å
58	D	92.3	Very high	89.4	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.112	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-44.1	178.1	-156.5	11	0	0	0	113.1	K34 T56 V60 V61 H62 L83	K34-D58 HydrophobicContact CB-CB 3.91Å; K34-D58 HydrophobicContact CG-CB 4.28Å; K34-D58 WeakPolarHBondContact O-CB 3.35Å; K34-D58 PolarHBondContact O-N 3.4Å; K34-D58 VanDerWaalsContact O-N 3.16Å; T56-D58 PolarHBondContact O-N 2.93Å; D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3.38Å; D58-V61 PolarHBondContact O-N 3.36Å; D58-H62 VanDerWaalsContact O-CB 3.27Å; D58-H62 WeakPolarHBondContact O-CB 3.41Å; D58-H62 PolarHBondContact O-N 2.97Å; D58-L83 WeakPolarHBondContact OD2-CD2 3.41Å
59	C	92.2	Very high	90.2	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-41.8	179.1	-62.2	0	0	0	0	111.6	Y55 T56 L57 L63 P84 V86	Y55-C59 HydrophobicContact CD1-CB 4.37Å; T56-C59 WeakPolarHBondContact O-CB 3.35Å; T56-C59 PolarHBondContact O-N 3.34Å; T56-C59 VanDerWaalsContact O-N 3.16Å; T56-C59 PolarHBondContact OG1-SG 3.34Å; L57-C59 VanDerWaalsContact C-N 3.34Å; L57-C59 PolarHBondContact O-N 3.14Å; C59-L63 PolarHBondContact O-N 3.49Å; C59-L63 VanDerWaalsContact O-N 3.11Å; C59-P84 WeakPolarHBondContact SG-CB 3.29Å; C59-P84 PolarHBondContact SG-O 2.88Å; C59-V86 HydrophobicContact CB-CG2 4.48Å
60	V	93.2	Very high	90.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-76.5	-41.6	-175.6	-174.5	0	0	0	0	110.8	L5 L8 T38 T56 L57 D58 L63 L64 L94 L98	L5-V60 HydrophobicContact CD1-CG1 3.92Å; L8-V60 HydrophobicContact CD2-CB 4.17Å; L8-V60 HydrophobicContact CD2-CG1 3.64Å; T38-V60 HydrophobicContact CG2-CG2 4.24Å; T56-V60 PolarHBondContact O-N 3.28Å; L57-V60 PolarHBondContact O-N 3Å; L57-V60 VanDerWaalsContact O-N 3.17Å; D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3.38Å; V60-L63 PolarHBondContact O-N 2.94Å; V60-L64 PolarHBondContact O-N 2.91Å; V60-L94 HydrophobicContact CG1-CD1 4.47Å; V60-L94 HydrophobicContact CG1-CD2 4.33Å; V60-L94 HydrophobicContact CG2-CD2 4.3Å; V60-L98 HydrophobicContact CG1-CD1 3.68Å; V60-L98 HydrophobicContact CG1-CD2 4.36Å
61	V	92.3	Very high	91.4	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-42.3	174.7	173	0	0	0	0	110.8	L8 V25 L57 D58 L63 L64 K65	L8-V61 HydrophobicContact CD1-CG2 4.01Å; L8-V61 HydrophobicContact CD2-CG2 4.05Å; V25-V61 HydrophobicContact CG1-CG2 4.43Å; L57-V61 HydrophobicContact CD1-CG2 4.11Å; L57-V61 HydrophobicContact CG-CG2 4.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.17Å; L57-V61 PolarHBondContact O-N 2.98Å; D58-V61 PolarHBondContact O-N 3.36Å; V61-L63 PolarHBondContact O-N 2.89Å; V61-L64 WeakPolarHBondContact O-CB 3.41Å; V61-L64 PolarHBondContact O-N 3.44Å; V61-L64 VanDerWaalsContact O-N 3.15Å; V61-K65 PolarHBondContact O-N 2.73Å
62	H	91.2	Very high	91.8	Very high	19 Å²	19	44.1 Å²	44.1	9%	0.088	23%	0.226	C	C	.	.	H	α-helix	trans	-64.7	-38.2	176.7	-167.5	70.2	0	0	0	112.5	D58 L64 K65 H66 Y74 L83	D58-H62 VanDerWaalsContact O-CB 3.27Å; D58-H62 WeakPolarHBondContact O-CB 3.41Å; D58-H62 PolarHBondContact O-N 2.97Å; H62-L64 VanDerWaalsContact C-N 3.31Å; H62-L64 PolarHBondContact O-N 3.44Å; H62-K65 PolarHBondContact O-N 3.24Å; H62-H66 AromaticContact CE1-CD2 3.38Å; H62-H66 PolarHBondContact CE1-CD2 3.11Å; H62-H66 AromaticContact CE1-NE2 3.48Å; H62-H66 PolarHBondContact CE1-NE2 2.77Å; H62-H66 AromaticContact ND1-CD2 3.79Å; H62-H66 AromaticContact ND1-NE2 3.98Å; H62-H66 AromaticContact NE2-CD2 3.59Å; H62-H66 PolarHBondContact O-CD2 3.32Å; H62-H66 PolarHBondContact O-N 3.15Å; H62-Y74 AromaticContact CD2-CE2 3.76Å; H62-L83 HydrophobicContact CB-CD1 3.95Å; H62-L83 WeakPolarHBondContact ND1-CD1 3.33Å
63	L	92.9	Very high	92	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-39.6	172.1	177.9	66.6	0	0	0	111.8	C59 V60 V61 H66 I67 Y74 V86 R91 L94 L95	C59-L63 PolarHBondContact O-N 3.49Å; C59-L63 VanDerWaalsContact O-N 3.11Å; V60-L63 PolarHBondContact O-N 2.94Å; V61-L63 PolarHBondContact O-N 2.89Å; L63-H66 CarbonylContact O-C 3.59Å; L63-H66 PolarHBondContact O-N 3.01Å; L63-I67 PolarHBondContact O-N 3.38Å; L63-Y74 HydrophobicContact CB-CE2 4.07Å; L63-Y74 HydrophobicContact CD1-CD1 4.4Å; L63-Y74 HydrophobicContact CD1-CD2 4.24Å; L63-Y74 HydrophobicContact CD1-CE1 4.12Å; L63-Y74 HydrophobicContact CD1-CE2 3.95Å; L63-Y74 HydrophobicContact CD1-CG 4.45Å; L63-V86 HydrophobicContact CB-CG2 4.3Å; L63-V86 HydrophobicContact CD2-CB 4.03Å; L63-V86 HydrophobicContact CD2-CG1 4.14Å; L63-V86 HydrophobicContact CD2-CG2 3.87Å; L63-R91 HydrophobicContact CD1-CG 4.29Å; L63-R91 VanDerWaalsContact CD1-NH1 3.33Å; L63-L94 HydrophobicContact CD2-CD2 3.85Å; L63-L94 HydrophobicContact CD2-CG 4.47Å; L63-L95 HydrophobicContact CD2-CD2 3.97Å; L63-L95 HydrophobicContact CD2-CG 4.21Å; L63-L95 HydrophobicContact CG-CD2 4.02Å
64	L	91.3	Very high	92.2	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-38.8	-179.5	-166.8	65.3	0	0	0	112.3	L8 H12 I18 V60 V61 H62 H66 L98	L8-L64 HydrophobicContact CD1-CD2 4.14Å; H12-L64 HydrophobicContact CB-CD2 4.06Å; I18-L64 HydrophobicContact CD1-CD2 4.49Å; V60-L64 PolarHBondContact O-N 2.91Å; V61-L64 WeakPolarHBondContact O-CB 3.41Å; V61-L64 PolarHBondContact O-N 3.44Å; V61-L64 VanDerWaalsContact O-N 3.15Å; H62-L64 VanDerWaalsContact C-N 3.31Å; H62-L64 PolarHBondContact O-N 3.44Å; L64-H66 VanDerWaalsContact C-N 3.26Å; L64-H66 PolarHBondContact O-N 3.48Å; L64-L98 HydrophobicContact CD1-CB 4.41Å; L64-L98 HydrophobicContact CD1-CD1 4.35Å
65	K	89.6	Confident	92.2	Very high	119 Å²	119	40.2 Å²	40.2	52%	0.517	21%	0.212	S	C	.	.	H	α-helix	trans	-65.5	-27.9	174.4	-72.1	179.5	171.7	-173.5	0	113.5	E20 V61 H62	E20-K65 VanDerWaalsContact OE2-CE 3.3Å; E20-K65 WeakPolarHBondContact OE2-CE 3.35Å; E20-K65 IonicContact OE2-NZ 2.55Å; E20-K65 PolarHBondContact OE2-NZ 3.44Å; V61-K65 PolarHBondContact O-N 2.73Å; H62-K65 PolarHBondContact O-N 3.24Å
66	H	90	Very high	92.2	Very high	40 Å²	40	47.5 Å²	47.5	19%	0.185	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	41	-175.5	-64.1	-54.8	0	0	0	112.2	H62 L63 L64 D68 L69 Y74 Q77	H62-H66 AromaticContact CE1-CD2 3.38Å; H62-H66 PolarHBondContact CE1-CD2 3.11Å; H62-H66 AromaticContact CE1-NE2 3.48Å; H62-H66 PolarHBondContact CE1-NE2 2.77Å; H62-H66 AromaticContact ND1-CD2 3.79Å; H62-H66 AromaticContact ND1-NE2 3.98Å; H62-H66 AromaticContact NE2-CD2 3.59Å; H62-H66 PolarHBondContact O-CD2 3.32Å; H62-H66 PolarHBondContact O-N 3.15Å; L63-H66 CarbonylContact O-C 3.59Å; L63-H66 PolarHBondContact O-N 3.01Å; L64-H66 VanDerWaalsContact C-N 3.26Å; L64-H66 PolarHBondContact O-N 3.48Å; H66-D68 VanDerWaalsContact C-N 3.3Å; H66-D68 PolarHBondContact O-N 3.41Å; H66-L69 HydrophobicContact CB-CD1 4.05Å; H66-L69 HydrophobicContact CB-CG 4.45Å; H66-L69 PolarHBondContact O-N 3.47Å; H66-Y74 HydrophobicContact CB-CD2 4.17Å; H66-Q77 VanDerWaalsContact CE1-CD 3.48Å; H66-Q77 PolarHBondContact CE1-NE2 3.44Å; H66-Q77 PolarHBondContact CE1-OE1 2.93Å; H66-Q77 PolarHBondContact ND1-OE1 2.9Å; H66-Q77 PolarHBondContact NE2-NE2 3.15Å
67	I	90.6	Very high	92.1	Very high	37 Å²	37	49.8 Å²	49.8	19%	0.19	25%	0.249	C	C	.	.	S	Bend	trans	-66.3	-34.1	-177.1	-160.1	162.9	0	0	0	112.6	L63 R91 L95 K99	L63-I67 PolarHBondContact O-N 3.38Å; I67-R91 PolarHBondContact O-NH2 3.41Å; I67-L95 HydrophobicContact CD1-CD2 3.73Å; I67-L95 HydrophobicContact CG1-CD1 4.28Å; I67-L95 HydrophobicContact CG1-CD2 3.77Å; I67-K99 HydrophobicContact CD1-CD 4.33Å; I67-K99 HydrophobicContact CD1-CG 4.21Å
68	D	90.1	Very high	92.1	Very high	151 Å²	151	49.8 Å²	49.8	81%	0.807	25%	0.249	S	C	*	.	S	Bend	trans	-78.3	-20.7	-176.8	-57	-42.5	0	0	0	113	H66	H66-D68 VanDerWaalsContact C-N 3.3Å; H66-D68 PolarHBondContact O-N 3.41Å
69	L	90.5	Very high	92.1	Very high	51 Å²	51	52.1 Å²	52.1	27%	0.267	27%	0.271	S	S	.	.	S	Bend	trans	-76.6	136	-179.4	-64.2	-178.2	0	0	0	110.7	H66 Q73 R91	H66-L69 HydrophobicContact CB-CD1 4.05Å; H66-L69 HydrophobicContact CB-CG 4.45Å; H66-L69 PolarHBondContact O-N 3.47Å; L69-Q73 HydrophobicContact CB-CB 4.4Å; L69-R91 PolarHBondContact O-NH2 2.99Å
70	P	92.9	Very high	92	Very high	73 Å²	73	56.8 Å²	56.8	47%	0.474	30%	0.304	S	S	.	.			trans	-59.6	148.4	172.6	26.5	-33.9	0	0	0	110.1	T72 Q73 Y74	P70-T72 PolarHBondContact O-N 3.01Å; P70-Q73 HydrophobicContact CG-CB 4.03Å; P70-Q73 HydrophobicContact CG-CG 3.84Å; P70-Q73 PolarHBondContact O-N 2.66Å; P70-Y74 PolarHBondContact O-N 3.28Å
71	H	93	Very high	91.7	Very high	37 Å²	37	59.5 Å²	59.5	17%	0.171	33%	0.326	C	S	.	.	H	α-helix	trans	-52.1	-40	-170.7	-171.8	64.4	0	0	0	113.5	Q73 Y74 V75 V86 L88 R91	H71-Q73 VanDerWaalsContact C-N 3.31Å; H71-Q73 PolarHBondContact O-N 3.41Å; H71-Y74 AromaticContact CE1-CD1 3.99Å; H71-Y74 AromaticContact ND1-CD1 3.74Å; H71-Y74 PolarHBondContact O-N 3.09Å; H71-V75 VanDerWaalsContact O-CG2 3.3Å; H71-V75 WeakPolarHBondContact O-CG2 3.25Å; H71-V75 PolarHBondContact O-N 3.44Å; H71-V86 PolarHBondContact CE1-O 3.04Å; H71-L88 HydrophobicContact CB-CD1 3.95Å; H71-R91 WeakPolarHBondContact ND1-CD 3.28Å
72	T	93.7	Very high	91.5	Very high	96 Å²	96	62.5 Å²	62.5	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-63.7	-31.4	178.1	-43.6	0	0	0	0	113.6	P70 R76	P70-T72 PolarHBondContact O-N 3.01Å; T72-R76 PolarHBondContact O-N 3.17Å; T72-R76 PolarHBondContact O-NE 2.65Å
73	Q	93.4	Very high	91.2	Very high	93 Å²	93	63.3 Å²	63.3	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-79.9	-43.2	175	-73	-175.6	-6.2	0	0	111	L69 P70 H71 V75 R76 Q77	L69-Q73 HydrophobicContact CB-CB 4.4Å; P70-Q73 HydrophobicContact CG-CB 4.03Å; P70-Q73 HydrophobicContact CG-CG 3.84Å; P70-Q73 PolarHBondContact O-N 2.66Å; H71-Q73 VanDerWaalsContact C-N 3.31Å; H71-Q73 PolarHBondContact O-N 3.41Å; Q73-V75 VanDerWaalsContact C-N 3.31Å; Q73-V75 PolarHBondContact O-N 3.38Å; Q73-R76 PolarHBondContact O-N 3.37Å; Q73-R76 VanDerWaalsContact O-N 3.14Å; Q73-Q77 PolarHBondContact O-N 3.35Å
74	Y	94.8	Very high	90.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-53.8	-45.9	172.4	157.8	-101.1	0	0	0	112.2	H62 L63 H66 P70 H71 R76 Q77 A78 V85 V86 R91	H62-Y74 AromaticContact CD2-CE2 3.76Å; L63-Y74 HydrophobicContact CB-CE2 4.07Å; L63-Y74 HydrophobicContact CD1-CD1 4.4Å; L63-Y74 HydrophobicContact CD1-CD2 4.24Å; L63-Y74 HydrophobicContact CD1-CE1 4.12Å; L63-Y74 HydrophobicContact CD1-CE2 3.95Å; L63-Y74 HydrophobicContact CD1-CG 4.45Å; H66-Y74 HydrophobicContact CB-CD2 4.17Å; P70-Y74 PolarHBondContact O-N 3.28Å; H71-Y74 AromaticContact CE1-CD1 3.99Å; H71-Y74 AromaticContact ND1-CD1 3.74Å; H71-Y74 PolarHBondContact O-N 3.09Å; Y74-R76 VanDerWaalsContact C-N 3.33Å; Y74-R76 PolarHBondContact O-N 3.19Å; Y74-Q77 PolarHBondContact O-N 3.45Å; Y74-A78 WeakPolarHBondContact O-CB 3.48Å; Y74-A78 PolarHBondContact O-N 3.18Å; Y74-V85 HydrophobicContact CE1-CB 4.05Å; Y74-V85 HydrophobicContact CE1-CG1 4.14Å; Y74-V86 PolarHBondContact OH-N 3.18Å; Y74-R91 VanDerWaalsContact CD1-NH1 3.27Å; Y74-R91 VanDerWaalsContact CG-NH1 3.27Å
75	V	93.8	Very high	90.8	Very high	49 Å²	49	68.4 Å²	68.4	30%	0.297	40%	0.396	S	S	.	.	H	α-helix	trans	-63.1	-40.2	179.1	170.5	0	0	0	0	111.5	H71 Q73 A79 V85	H71-V75 VanDerWaalsContact O-CG2 3.3Å; H71-V75 WeakPolarHBondContact O-CG2 3.25Å; H71-V75 PolarHBondContact O-N 3.44Å; Q73-V75 VanDerWaalsContact C-N 3.31Å; Q73-V75 PolarHBondContact O-N 3.38Å; V75-A79 VanDerWaalsContact O-CB 3.28Å; V75-A79 WeakPolarHBondContact O-CB 3.24Å; V75-A79 PolarHBondContact O-N 2.6Å; V75-V85 HydrophobicContact CB-CG1 4.46Å; V75-V85 HydrophobicContact CG1-CG1 4.42Å; V75-V85 HydrophobicContact CG2-CB 4.4Å; V75-V85 HydrophobicContact CG2-CG1 4.28Å
76	R	93.2	Very high	91	Very high	163 Å²	163	62.8 Å²	62.8	62%	0.615	37%	0.371	S	S	*	.	H	α-helix	trans	-65	-42.7	175.8	-79.7	-174.5	-86	-179.7	-6.8	111.9	T72 Q73 Y74 A79 S80	T72-R76 PolarHBondContact O-N 3.17Å; T72-R76 PolarHBondContact O-NE 2.65Å; Q73-R76 PolarHBondContact O-N 3.37Å; Q73-R76 VanDerWaalsContact O-N 3.14Å; Y74-R76 VanDerWaalsContact C-N 3.33Å; Y74-R76 PolarHBondContact O-N 3.19Å; R76-A79 PolarHBondContact O-N 2.83Å; R76-S80 PolarHBondContact O-N 3Å
77	Q	91.1	Very high	91.2	Very high	69 Å²	69	66.7 Å²	66.7	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-45.9	178.3	-174.8	167.1	19.3	0	0	112	H66 Q73 Y74 A79 S80 A81	H66-Q77 VanDerWaalsContact CE1-CD 3.48Å; H66-Q77 PolarHBondContact CE1-NE2 3.44Å; H66-Q77 PolarHBondContact CE1-OE1 2.93Å; H66-Q77 PolarHBondContact ND1-OE1 2.9Å; H66-Q77 PolarHBondContact NE2-NE2 3.15Å; Q73-Q77 PolarHBondContact O-N 3.35Å; Y74-Q77 PolarHBondContact O-N 3.45Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 3.37Å; Q77-S80 PolarHBondContact O-N 3.16Å; Q77-S80 PolarHBondContact O-OG 2.9Å; Q77-A81 PolarHBondContact O-N 2.88Å
78	A	92.2	Very high	91.3	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-41	176.2	0	0	0	0	0	112	Y74 S80 A81 G82 L83 V85	Y74-A78 WeakPolarHBondContact O-CB 3.48Å; Y74-A78 PolarHBondContact O-N 3.18Å; A78-S80 VanDerWaalsContact C-N 3.33Å; A78-S80 PolarHBondContact O-N 3.37Å; A78-A81 CarbonylContact O-C 3.33Å; A78-A81 PolarHBondContact O-N 3.2Å; A78-A81 VanDerWaalsContact O-N 3.14Å; A78-G82 PolarHBondContact O-N 3.3Å; A78-L83 HydrophobicContact CB-CB 4.5Å; A78-L83 PolarHBondContact O-N 3.32Å; A78-V85 HydrophobicContact CB-CG1 3.27Å
79	A	91.7	Very high	91.4	Very high	70 Å²	70	66.3 Å²	66.3	58%	0.579	39%	0.386	S	S	*	.	H	α-helix	trans	-62.2	-39.5	174.4	0	0	0	0	0	112.1	V75 R76 Q77 A81 G82	V75-A79 VanDerWaalsContact O-CB 3.28Å; V75-A79 WeakPolarHBondContact O-CB 3.24Å; V75-A79 PolarHBondContact O-N 2.6Å; R76-A79 PolarHBondContact O-N 2.83Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 3.37Å; A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.33Å; A79-G82 PolarHBondContact O-N 3.2Å
80	S	90.5	Very high	91.5	Very high	102 Å²	102	63.9 Å²	63.9	71%	0.713	37%	0.373	S	S	*	.	H	α-helix	trans	-66.9	-27.8	174.8	70.8	0	0	0	0	113.4	R76 Q77 A78	R76-S80 PolarHBondContact O-N 3Å; Q77-S80 PolarHBondContact O-N 3.16Å; Q77-S80 PolarHBondContact O-OG 2.9Å; A78-S80 VanDerWaalsContact C-N 3.33Å; A78-S80 PolarHBondContact O-N 3.37Å
81	A	86.7	Confident	91.5	Very high	56 Å²	56	61.5 Å²	61.5	46%	0.463	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.2	175.6	0	0	0	0	0	113.5	Q77 A78 A79 L83	Q77-A81 PolarHBondContact O-N 2.88Å; A78-A81 CarbonylContact O-C 3.33Å; A78-A81 PolarHBondContact O-N 3.2Å; A78-A81 VanDerWaalsContact O-N 3.14Å; A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.33Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 HydrophobicContact CB-CD1 4.06Å; A81-L83 HydrophobicContact CB-CG 3.98Å; A81-L83 PolarHBondContact O-N 3.27Å
82	G	88.3	Confident	91.5	Very high	68 Å²	68	68.7 Å²	68.7	70%	0.701	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	20.2	-176.2	0	0	0	0	0	114.3	A78 A79	A78-G82 PolarHBondContact O-N 3.3Å; A79-G82 PolarHBondContact O-N 3.2Å
83	L	85.4	Confident	91.4	Very high	36 Å²	36	65.9 Å²	65.9	19%	0.188	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-96.6	142.3	-175.5	-63.3	179.5	0	0	0	112	D58 H62 A78 A81	D58-L83 WeakPolarHBondContact OD2-CD2 3.41Å; H62-L83 HydrophobicContact CB-CD1 3.95Å; H62-L83 WeakPolarHBondContact ND1-CD1 3.33Å; A78-L83 HydrophobicContact CB-CB 4.5Å; A78-L83 PolarHBondContact O-N 3.32Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 HydrophobicContact CB-CD1 4.06Å; A81-L83 HydrophobicContact CB-CG 3.98Å; A81-L83 PolarHBondContact O-N 3.27Å
84	P	83.9	Confident	91.4	Very high	76 Å²	76	61.4 Å²	61.4	49%	0.494	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.2	143.5	171.6	-4.9	18.8	0	0	0	111.1	C59	C59-P84 WeakPolarHBondContact SG-CB 3.29Å; C59-P84 PolarHBondContact SG-O 2.88Å
85	V	92.1	Very high	91.3	Very high	51 Å²	51	62.4 Å²	62.4	31%	0.309	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-101	141.7	-174.6	-69.8	0	0	0	0	112.5	Y74 V75 A78 R87	Y74-V85 HydrophobicContact CE1-CB 4.05Å; Y74-V85 HydrophobicContact CE1-CG1 4.14Å; V75-V85 HydrophobicContact CB-CG1 4.46Å; V75-V85 HydrophobicContact CG1-CG1 4.42Å; V75-V85 HydrophobicContact CG2-CB 4.4Å; V75-V85 HydrophobicContact CG2-CG1 4.28Å; A78-V85 HydrophobicContact CB-CG1 3.27Å; V85-R87 PolarHBondContact O-N 3Å
86	V	93.9	Very high	91.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.8	133	165.1	178.3	0	0	0	0	108.6	Y55 C59 L63 H71 Y74 D90 R91 L94	Y55-V86 HydrophobicContact CD1-CG2 4.21Å; Y55-V86 HydrophobicContact CE1-CB 4.35Å; Y55-V86 HydrophobicContact CE1-CG2 4.27Å; Y55-V86 HydrophobicContact CE2-CG1 4.25Å; C59-V86 HydrophobicContact CB-CG2 4.48Å; L63-V86 HydrophobicContact CB-CG2 4.3Å; L63-V86 HydrophobicContact CD2-CB 4.03Å; L63-V86 HydrophobicContact CD2-CG1 4.14Å; L63-V86 HydrophobicContact CD2-CG2 3.87Å; H71-V86 PolarHBondContact CE1-O 3.04Å; Y74-V86 PolarHBondContact OH-N 3.18Å; V86-D90 HydrophobicContact CG1-CB 4.14Å; V86-R91 HydrophobicContact CG1-CB 4.43Å; V86-L94 HydrophobicContact CG1-CD2 3.89Å; V86-L94 HydrophobicContact CG2-CD2 3.92Å
87	R	93.6	Very high	91.2	Very high	123 Å²	123	53.5 Å²	53.5	46%	0.464	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-74.7	149	-176.4	-67.8	179.3	176.4	169.4	3.1	109.9	W43 Y55 V85 P89 D90 R91	W43-R87 HydrophobicContact CB-CB 4.34Å; W43-R87 WeakPolarHBondContact O-CD 3.27Å; W43-R87 PolarHBondContact O-NH1 3.48Å; Y55-R87 WeakPolarHBondContact OH-CB 3.35Å; Y55-R87 WeakPolarHBondContact OH-CG 3.11Å; Y55-R87 PolarHBondContact OH-N 2.84Å; V85-R87 PolarHBondContact O-N 3Å; R87-P89 VanDerWaalsContact C-CD 3.44Å; R87-P89 VanDerWaalsContact C-N 3.35Å; R87-D90 PolarHBondContact O-N 3.32Å; R87-D90 VanDerWaalsContact O-N 3.09Å; R87-R91 PolarHBondContact O-N 3.16Å; R87-R91 VanDerWaalsContact O-N 3.12Å
88	L	92.5	Very high	91.2	Very high	114 Å²	114	50.2 Å²	50.2	60%	0.597	30%	0.295	S	S	*	.	H	α-helix	trans	-51.9	-42.6	-177.5	-177.3	62.8	0	0	0	114.3	H71 D90 R91	H71-L88 HydrophobicContact CB-CD1 3.95Å; L88-D90 VanDerWaalsContact C-N 3.3Å; L88-D90 PolarHBondContact O-N 3.17Å; L88-R91 PolarHBondContact O-N 3.3Å
89	P	92	Very high	91.2	Very high	65 Å²	65	54.9 Å²	54.9	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-32.6	179.9	-24.9	38	0	0	0	113.8	W43 R87	W43-P89 HydrophobicContact CB-CB 4.38Å; W43-P89 HydrophobicContact CD2-CB 3.74Å; W43-P89 HydrophobicContact CD2-CG 4.2Å; W43-P89 HydrophobicContact CE3-CB 4.21Å; W43-P89 HydrophobicContact CG-CB 3.81Å; W43-P89 HydrophobicContact CG-CG 3.91Å; R87-P89 VanDerWaalsContact C-CD 3.44Å; R87-P89 VanDerWaalsContact C-N 3.35Å
90	D	93.4	Very high	91	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-85.6	-25.4	-177.9	-68.6	-28.8	0	0	0	112.9	F40 W43 Y55 V86 R87 L88 R92 D93 L94 N107	F40-D90 HydrophobicContact CE1-CB 3.77Å; F40-D90 HydrophobicContact CZ-CB 4.23Å; W43-D90 WeakPolarHBondContact CA-OD2 3.46Å; W43-D90 WeakPolarHBondContact CB-OD2 3.3Å; W43-D90 PolarHBondContact N-OD2 3.41Å; Y55-D90 HydrophobicContact CE2-CB 4.2Å; Y55-D90 WeakPolarHBondContact CE2-OD2 3.45Å; Y55-D90 PolarHBondContact OH-OD2 3.38Å; V86-D90 HydrophobicContact CG1-CB 4.14Å; R87-D90 PolarHBondContact O-N 3.32Å; R87-D90 VanDerWaalsContact O-N 3.09Å; L88-D90 VanDerWaalsContact C-N 3.3Å; L88-D90 PolarHBondContact O-N 3.17Å; D90-R92 VanDerWaalsContact C-N 3.26Å; D90-R92 PolarHBondContact O-N 3.12Å; D90-D93 PolarHBondContact O-N 3.34Å; D90-L94 WeakPolarHBondContact O-CB 3.34Å; D90-L94 PolarHBondContact O-N 3.06Å; D90-N107 PolarHBondContact OD1-ND2 2.99Å
91	R	93.4	Very high	91	Very high	24 Å²	24	54.9 Å²	54.9	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-53.4	-43.2	-173.3	176.8	170	175.2	134.2	-5.9	112.4	L63 I67 L69 H71 Y74 V86 R87 L88 L95	L63-R91 HydrophobicContact CD1-CG 4.29Å; L63-R91 VanDerWaalsContact CD1-NH1 3.33Å; I67-R91 PolarHBondContact O-NH2 3.41Å; L69-R91 PolarHBondContact O-NH2 2.99Å; H71-R91 WeakPolarHBondContact ND1-CD 3.28Å; Y74-R91 VanDerWaalsContact CD1-NH1 3.27Å; Y74-R91 VanDerWaalsContact CG-NH1 3.27Å; V86-R91 HydrophobicContact CG1-CB 4.43Å; R87-R91 PolarHBondContact O-N 3.16Å; R87-R91 VanDerWaalsContact O-N 3.12Å; L88-R91 PolarHBondContact O-N 3.3Å; R91-L95 HydrophobicContact CG-CD1 3.77Å; R91-L95 HydrophobicContact CG-CG 4.31Å; R91-L95 VanDerWaalsContact O-CB 3.29Å; R91-L95 WeakPolarHBondContact O-CB 3.49Å; R91-L95 WeakPolarHBondContact O-CG 3.11Å; R91-L95 PolarHBondContact O-N 3.16Å
92	R	92.1	Very high	91.1	Very high	187 Å²	187	54.9 Å²	54.9	71%	0.706	30%	0.295	S	S	*	.	H	α-helix	trans	-64.1	-50.6	-178.3	-173.4	-170.3	66.7	-176.1	-1.6	111.3	D90 L95 A96	D90-R92 VanDerWaalsContact C-N 3.26Å; D90-R92 PolarHBondContact O-N 3.12Å; R92-L95 PolarHBondContact O-N 2.9Å; R92-A96 WeakPolarHBondContact O-CB 3.47Å; R92-A96 PolarHBondContact O-N 3.37Å
93	D	92	Very high	90.8	Very high	37 Å²	37	57 Å²	57	20%	0.198	29%	0.294	C	S	.	.	H	α-helix	trans	-73	-34.4	-173.6	-64.3	3	0	0	0	111.2	D90 Y97	D90-D93 PolarHBondContact O-N 3.34Å; D93-Y97 PolarHBondContact O-N 2.9Å; D93-Y97 VanDerWaalsContact O-N 3.16Å
94	L	92.7	Very high	90.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-42.8	173.8	-177.4	63.3	0	0	0	112.1	L5 F40 V60 L63 V86 D90 Y97 L98	L5-L94 HydrophobicContact CD1-CD1 4.31Å; F40-L94 HydrophobicContact CD2-CD1 3.47Å; F40-L94 VanDerWaalsContact CD2-CD1 3.47Å; F40-L94 HydrophobicContact CE1-CB 4.48Å; F40-L94 HydrophobicContact CE2-CB 3.88Å; F40-L94 HydrophobicContact CE2-CD1 3.67Å; F40-L94 HydrophobicContact CE2-CG 4.35Å; F40-L94 HydrophobicContact CG-CD1 3.93Å; F40-L94 HydrophobicContact CZ-CB 3.84Å; F40-L94 HydrophobicContact CZ-CD1 4.3Å; V60-L94 HydrophobicContact CG1-CD1 4.47Å; V60-L94 HydrophobicContact CG1-CD2 4.33Å; V60-L94 HydrophobicContact CG2-CD2 4.3Å; L63-L94 HydrophobicContact CD2-CD2 3.85Å; L63-L94 HydrophobicContact CD2-CG 4.47Å; V86-L94 HydrophobicContact CG1-CD2 3.89Å; V86-L94 HydrophobicContact CG2-CD2 3.92Å; D90-L94 WeakPolarHBondContact O-CB 3.34Å; D90-L94 PolarHBondContact O-N 3.06Å; L94-Y97 PolarHBondContact O-N 2.85Å; L94-L98 HydrophobicContact CD1-CD1 4.34Å; L94-L98 HydrophobicContact CG-CD1 4.11Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 3.14Å
95	L	92.6	Very high	90.8	Very high	21 Å²	21	55.6 Å²	55.6	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-40.5	176.7	-73.1	177.8	0	0	0	112.1	L63 I67 R91 R92 Y97 L98 K99	L63-L95 HydrophobicContact CD2-CD2 3.97Å; L63-L95 HydrophobicContact CD2-CG 4.21Å; L63-L95 HydrophobicContact CG-CD2 4.02Å; I67-L95 HydrophobicContact CD1-CD2 3.73Å; I67-L95 HydrophobicContact CG1-CD1 4.28Å; I67-L95 HydrophobicContact CG1-CD2 3.77Å; R91-L95 HydrophobicContact CG-CD1 3.77Å; R91-L95 HydrophobicContact CG-CG 4.31Å; R91-L95 VanDerWaalsContact O-CB 3.29Å; R91-L95 WeakPolarHBondContact O-CB 3.49Å; R91-L95 WeakPolarHBondContact O-CG 3.11Å; R91-L95 PolarHBondContact O-N 3.16Å; R92-L95 PolarHBondContact O-N 2.9Å; L95-Y97 VanDerWaalsContact C-N 3.26Å; L95-Y97 PolarHBondContact O-N 3.05Å; L95-L98 PolarHBondContact O-N 3.36Å; L95-K99 WeakPolarHBondContact O-CB 3.39Å; L95-K99 WeakPolarHBondContact O-CG 3.28Å; L95-K99 PolarHBondContact O-N 3.25Å
96	A	92.1	Very high	90.4	Very high	15 Å²	15	58.2 Å²	58.2	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-58.7	-40.2	175.2	0	0	0	0	0	111.6	R92 G100 E101 T102	R92-A96 WeakPolarHBondContact O-CB 3.47Å; R92-A96 PolarHBondContact O-N 3.37Å; A96-G100 PolarHBondContact O-N 3.49Å; A96-E101 HydrophobicContact CB-CB 4.28Å; A96-E101 WeakPolarHBondContact O-CB 3.39Å; A96-E101 PolarHBondContact O-N 3.43Å; A96-T102 HydrophobicContact CB-CG2 4.46Å; A96-T102 PolarHBondContact O-N 3.44Å; A96-T102 VanDerWaalsContact O-N 3.16Å
97	Y	93	Very high	90.1	Very high	10 Å²	10	59.9 Å²	59.9	4%	0.039	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-48.2	175.3	177	-99.1	0	0	0	112.3	L5 S6 R9 D93 L94 L95 G100 T102 T103 I108	L5-Y97 HydrophobicContact CD2-CD1 4.37Å; L5-Y97 HydrophobicContact CD2-CE1 3.99Å; L5-Y97 HydrophobicContact CG-CD1 4.48Å; L5-Y97 HydrophobicContact CG-CE1 3.9Å; S6-Y97 PolarHBondContact OG-OH 2.91Å; S6-Y97 VanDerWaalsContact OG-OH 3.09Å; R9-Y97 HydrophobicContact CB-CE1 4.18Å; R9-Y97 VanDerWaalsContact CD-CZ 3.48Å; R9-Y97 WeakPolarHBondContact CD-O 3.29Å; R9-Y97 HydrophobicContact CG-CE1 4.46Å; R9-Y97 PolarHBondContact NE-O 3.43Å; D93-Y97 PolarHBondContact O-N 2.9Å; D93-Y97 VanDerWaalsContact O-N 3.16Å; L94-Y97 PolarHBondContact O-N 2.85Å; L95-Y97 VanDerWaalsContact C-N 3.26Å; L95-Y97 PolarHBondContact O-N 3.05Å; Y97-G100 PolarHBondContact O-N 2.86Å; Y97-G100 VanDerWaalsContact O-N 3.14Å; Y97-T102 WeakPolarHBondContact CA-OG1 3.43Å; Y97-T102 PolarHBondContact N-OG1 3.46Å; Y97-T103 WeakPolarHBondContact CE2-O 3.39Å; Y97-I108 HydrophobicContact CD1-CD1 4.12Å; Y97-I108 HydrophobicContact CD2-CD1 3.74Å; Y97-I108 HydrophobicContact CE1-CD1 4.08Å; Y97-I108 HydrophobicContact CE2-CD1 3.66Å; Y97-I108 HydrophobicContact CG-CD1 3.95Å
98	L	91.9	Very high	89.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-37.8	-178.6	-70.3	170.6	0	0	0	113.1	L5 L8 R9 V60 L64 L94 L95 G100	L5-L98 HydrophobicContact CD1-CD2 4.22Å; L8-L98 HydrophobicContact CD2-CD2 4.3Å; L8-L98 HydrophobicContact CG-CD2 4.34Å; R9-L98 HydrophobicContact CB-CD2 4.33Å; V60-L98 HydrophobicContact CG1-CD1 3.68Å; V60-L98 HydrophobicContact CG1-CD2 4.36Å; L64-L98 HydrophobicContact CD1-CB 4.41Å; L64-L98 HydrophobicContact CD1-CD1 4.35Å; L94-L98 HydrophobicContact CD1-CD1 4.34Å; L94-L98 HydrophobicContact CG-CD1 4.11Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 3.14Å; L95-L98 PolarHBondContact O-N 3.36Å; L98-G100 PolarHBondContact O-N 3.26Å
99	K	90.8	Very high	89.5	Confident	98 Å²	98	51.5 Å²	51.5	43%	0.426	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.1	174.7	-70.3	-173.8	179.8	-168.6	0	113.7	L13 I67 L95 E101	L13-K99 WeakPolarHBondContact CD2-O 3.33Å; I67-K99 HydrophobicContact CD1-CD 4.33Å; I67-K99 HydrophobicContact CD1-CG 4.21Å; L95-K99 WeakPolarHBondContact O-CB 3.39Å; L95-K99 WeakPolarHBondContact O-CG 3.28Å; L95-K99 PolarHBondContact O-N 3.25Å; K99-E101 VanDerWaalsContact C-N 3.31Å; K99-E101 HydrophobicContact CB-CG 4.24Å; K99-E101 PolarHBondContact O-N 2.97Å
100	G	88.6	Confident	89	Confident	31 Å²	31	58.2 Å²	58.2	32%	0.32	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	8.8	-179	0	0	0	0	0	114.9	A96 Y97 L98 T102	A96-G100 PolarHBondContact O-N 3.49Å; Y97-G100 PolarHBondContact O-N 2.86Å; Y97-G100 VanDerWaalsContact O-N 3.14Å; L98-G100 PolarHBondContact O-N 3.26Å; G100-T102 VanDerWaalsContact C-N 3.26Å; G100-T102 PolarHBondContact O-N 3.14Å
101	E	90	Very high	88.1	Confident	140 Å²	140	62.3 Å²	62.3	65%	0.654	33%	0.33	S	S	*	.	S	Bend	trans	-64.5	-34.4	173.9	-62.6	176.4	-168.8	0	0	111.1	A96 K99	A96-E101 HydrophobicContact CB-CB 4.28Å; A96-E101 WeakPolarHBondContact O-CB 3.39Å; A96-E101 PolarHBondContact O-N 3.43Å; K99-E101 VanDerWaalsContact C-N 3.31Å; K99-E101 HydrophobicContact CB-CG 4.24Å; K99-E101 PolarHBondContact O-N 2.97Å
102	T	88.3	Confident	87.2	Confident	56 Å²	56	61.6 Å²	61.6	34%	0.344	33%	0.328	S	S	.	.			trans	-120.4	145.5	172	51.9	0	0	0	0	111.5	R9 A96 Y97 G100 T104	R9-T102 PolarHBondContact NH2-O 3.5Å; A96-T102 HydrophobicContact CB-CG2 4.46Å; A96-T102 PolarHBondContact O-N 3.44Å; A96-T102 VanDerWaalsContact O-N 3.16Å; Y97-T102 WeakPolarHBondContact CA-OG1 3.43Å; Y97-T102 PolarHBondContact N-OG1 3.46Å; G100-T102 VanDerWaalsContact C-N 3.26Å; G100-T102 PolarHBondContact O-N 3.14Å; T102-T104 WeakPolarHBondContact CB-O 3.15Å; T102-T104 PolarHBondContact OG1-O 2.92Å
103	T	83.4	Confident	85.7	Confident	112 Å²	112	58.3 Å²	58.3	69%	0.687	33%	0.332	S	S	*	.	S	Bend	trans	-84.9	-17.8	175.1	53.4	0	0	0	0	112.6	Y97	Y97-T103 WeakPolarHBondContact CE2-O 3.39Å
104	T	83.9	Confident	84.5	Confident	73 Å²	73	59.3 Å²	59.3	45%	0.448	34%	0.339	S	S	.	.			trans	-145.3	161.6	177.5	61.4	0	0	0	0	110.2	T102 R110	T102-T104 WeakPolarHBondContact CB-O 3.15Å; T102-T104 PolarHBondContact OG1-O 2.92Å; T104-R110 VanDerWaalsContact CG2-NH2 3.34Å
105	A	84.7	Confident	82.9	Confident	10 Å²	10	63.2 Å²	63.2	8%	0.083	36%	0.36	C	S	.	.			trans	-131.9	147.9	172.2	0	0	0	0	0	109.9	F40 N107 I108	F40-A105 HydrophobicContact CE2-CB 3.99Å; A105-N107 PolarHBondContact O-N 3.06Å; A105-N107 VanDerWaalsContact O-N 3.16Å; A105-I108 HydrophobicContact CB-CD1 3.77Å; A105-I108 HydrophobicContact CB-CG1 3.97Å; A105-I108 WeakPolarHBondContact O-CB 3.35Å; A105-I108 PolarHBondContact O-N 3.4Å; A105-I108 VanDerWaalsContact O-N 3.1Å
106	P	84.5	Confident	81.5	Confident	107 Å²	107	64.3 Å²	64.3	70%	0.695	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.7	-173.1	25.6	-35.5	0	0	0	113.6
107	N	87	Confident	79.9	Confident	34 Å²	34	68.7 Å²	68.7	18%	0.182	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.1	-178.8	-62.1	-23.2	0	0	0	113.1	F40 L41 D90 A105 D109	F40-N107 HydrophobicContact CD1-CB 4.18Å; F40-N107 HydrophobicContact CE1-CB 3.68Å; F40-N107 HydrophobicContact CE2-CB 4.27Å; F40-N107 HydrophobicContact CZ-CB 3.75Å; L41-N107 HydrophobicContact CB-CB 4.42Å; L41-N107 WeakPolarHBondContact CB-O 3.49Å; L41-N107 PolarHBondContact N-O 3.2Å; D90-N107 PolarHBondContact OD1-ND2 2.99Å; A105-N107 PolarHBondContact O-N 3.06Å; A105-N107 VanDerWaalsContact O-N 3.16Å; N107-D109 PolarHBondContact O-N 3.07Å
108	I	89.2	Confident	78.5	Confident	28 Å²	28	71.8 Å²	71.8	14%	0.144	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-84.3	109.3	173.7	-65.2	174.4	0	0	0	108.5	L5 F40 Y97 A105 R110	L5-I108 HydrophobicContact CD2-CD1 4.34Å; L5-I108 HydrophobicContact CD2-CG1 4.42Å; F40-I108 HydrophobicContact CD2-CD1 4.44Å; F40-I108 HydrophobicContact CD2-CG1 3.7Å; F40-I108 HydrophobicContact CE2-CG1 4.25Å; Y97-I108 HydrophobicContact CD1-CD1 4.12Å; Y97-I108 HydrophobicContact CD2-CD1 3.74Å; Y97-I108 HydrophobicContact CE1-CD1 4.08Å; Y97-I108 HydrophobicContact CE2-CD1 3.66Å; Y97-I108 HydrophobicContact CG-CD1 3.95Å; A105-I108 HydrophobicContact CB-CD1 3.77Å; A105-I108 HydrophobicContact CB-CG1 3.97Å; A105-I108 WeakPolarHBondContact O-CB 3.35Å; A105-I108 PolarHBondContact O-N 3.4Å; A105-I108 VanDerWaalsContact O-N 3.1Å; I108-R110 PolarHBondContact O-N 3.43Å
109	D	84.9	Confident	77.5	Confident	34 Å²	34	77.6 Å²	77.6	18%	0.182	43%	0.434	C	S	.	.			trans	-86.9	101	174.9	-168	-13.8	0	0	0	109.3	N39 K52 Y54 N107 A111 A112	N39-D109 PolarHBondContact O-N 3.05Å; K52-D109 IonicContact NZ-OD2 2.91Å; K52-D109 PolarHBondContact NZ-OD2 3.47Å; Y54-D109 HydrophobicContact CE1-CB 3.92Å; Y54-D109 PolarHBondContact OH-OD2 3.37Å; N107-D109 PolarHBondContact O-N 3.07Å; D109-A111 PolarHBondContact O-N 3.21Å; D109-A111 WeakPolarHBondContact OD1-CA 3.5Å; D109-A111 WeakPolarHBondContact OD1-CB 3.44Å; D109-A111 PolarHBondContact OD1-N 3.36Å; D109-A112 HydrophobicContact CB-CB 4.22Å; D109-A112 WeakPolarHBondContact O-CB 3.11Å; D109-A112 PolarHBondContact O-N 3.01Å
110	R	81.4	Confident	76.8	Confident	205 Å²	205	80.4 Å²	80.4	77%	0.774	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.5	177	-68	-176.2	178.2	179.5	-1.7	113.3	T104 I108 A112	T104-R110 VanDerWaalsContact CG2-NH2 3.34Å; I108-R110 PolarHBondContact O-N 3.43Å; R110-A112 VanDerWaalsContact C-N 3.34Å
111	A	74.5	Confident	76.1	Confident	87 Å²	87	82.6 Å²	82.6	72%	0.719	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.7	175	0	0	0	0	0	112.4	D109	D109-A111 PolarHBondContact O-N 3.21Å; D109-A111 WeakPolarHBondContact OD1-CA 3.5Å; D109-A111 WeakPolarHBondContact OD1-CB 3.44Å; D109-A111 PolarHBondContact OD1-N 3.36Å
112	A	74.1	Confident	75.2	Confident	8 Å²	8	78.5 Å²	78.5	7%	0.066	44%	0.441	C	S	.	.	S	Bend	trans	-59.3	135.2	174.2	0	0	0	0	0	110	N39 Y54 D109 R110 V114	N39-A112 HydrophobicContact CB-CB 4.07Å; Y54-A112 HydrophobicContact CE1-CB 3.85Å; Y54-A112 HydrophobicContact CE2-CB 4.37Å; D109-A112 HydrophobicContact CB-CB 4.22Å; D109-A112 WeakPolarHBondContact O-CB 3.11Å; D109-A112 PolarHBondContact O-N 3.01Å; R110-A112 VanDerWaalsContact C-N 3.34Å; A112-V114 PolarHBondContact O-N 3.06Å
113	P	61.2	Low	73.7	Confident	119 Å²	119	80.1 Å²	80.1	77%	0.773	46%	0.461	S	S	*	.			trans	-61.4	100.2	172.7	-17.2	29.3	0	0	0	108.7	D115	P113-D115 PolarHBondContact O-N 2.72Å
114	V	65.3	Low	72.2	Confident	58 Å²	58	82 Å²	82	35%	0.352	46%	0.459	S	S	.	.			trans	-75.1	108.5	173.3	-173.2	0	0	0	0	105.8	D3 A112 I116	D3-V114 HydrophobicContact CB-CG1 3.84Å; D3-V114 HydrophobicContact CB-CG2 3.92Å; A112-V114 PolarHBondContact O-N 3.06Å; V114-I116 HydrophobicContact CB-CD1 4.47Å; V114-I116 HydrophobicContact CB-CG1 4.16Å; V114-I116 HydrophobicContact CG1-CD1 4.28Å; V114-I116 HydrophobicContact CG1-CG1 3.65Å; V114-I116 PolarHBondContact O-N 3.19Å
115	D	60.1	Low	70.1	Confident	81 Å²	81	86.5 Å²	86.5	43%	0.433	48%	0.475	S	S	.	.			trans	-79.3	70	-177.9	-156.5	-4.3	0	0	0	110.5	P113 S117 L118	P113-D115 PolarHBondContact O-N 2.72Å; D115-S117 PolarHBondContact O-N 2.9Å; D115-S117 WeakPolarHBondContact OD1-CB 3.38Å; D115-L118 HydrophobicContact CB-CD1 3.92Å; D115-L118 HydrophobicContact CB-CG 4.26Å; D115-L118 PolarHBondContact O-N 2.86Å; D115-L118 WeakPolarHBondContact OD2-CD1 3.49Å
116	I	63.8	Low	67.9	Low	45 Å²	45	90.8 Å²	90.8	23%	0.231	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-63.6	-19.2	178.9	-58.5	166.2	0	0	0	110.3	M1 V114 L118 R119	M1-I116 HydrophobicContact CB-CD1 3.89Å; M1-I116 HydrophobicContact CE-CD1 4.45Å; M1-I116 HydrophobicContact CE-CG2 3.54Å; M1-I116 HydrophobicContact SD-CD1 4.07Å; V114-I116 HydrophobicContact CB-CD1 4.47Å; V114-I116 HydrophobicContact CB-CG1 4.16Å; V114-I116 HydrophobicContact CG1-CD1 4.28Å; V114-I116 HydrophobicContact CG1-CG1 3.65Å; V114-I116 PolarHBondContact O-N 3.19Å; I116-L118 PolarHBondContact O-N 3.16Å; I116-R119 WeakPolarHBondContact O-CB 3.21Å; I116-R119 WeakPolarHBondContact O-CD 3.08Å; I116-R119 WeakPolarHBondContact O-CG 3.4Å; I116-R119 PolarHBondContact O-N 3.1Å
117	S	58.2	Low	65.7	Low	107 Å²	107	93 Å²	93	75%	0.748	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-67	-21.4	179.5	-52.6	0	0	0	0	113.7	D115 R119	D115-S117 PolarHBondContact O-N 2.9Å; D115-S117 WeakPolarHBondContact OD1-CB 3.38Å; S117-R119 PolarHBondContact O-N 2.88Å
118	L	63.9	Low	63.2	Low	75 Å²	75	96 Å²	96	39%	0.393	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-76.1	-2.2	178.1	-64.7	172	0	0	0	113.6	T36 D115 I116 R120	T36-L118 HydrophobicContact CG2-CD1 4.36Å; D115-L118 HydrophobicContact CB-CD1 3.92Å; D115-L118 HydrophobicContact CB-CG 4.26Å; D115-L118 PolarHBondContact O-N 2.86Å; D115-L118 WeakPolarHBondContact OD2-CD1 3.49Å; I116-L118 PolarHBondContact O-N 3.16Å; L118-R120 PolarHBondContact O-N 3.31Å
119	R	69.7	Low	60.7	Low	121 Å²	121	103 Å²	103	46%	0.457	56%	0.557	S	S	.	*			trans	-67.9	126.9	178.5	71.6	-167.3	169.8	162	-0.5	110.8	A31 W32 I116 S117	A31-R119 WeakPolarHBondContact O-CA 3.2Å; W32-R119 HydrophobicContact CZ2-CB 4.28Å; I116-R119 WeakPolarHBondContact O-CB 3.21Å; I116-R119 WeakPolarHBondContact O-CD 3.08Å; I116-R119 WeakPolarHBondContact O-CG 3.4Å; I116-R119 PolarHBondContact O-N 3.1Å; S117-R119 PolarHBondContact O-N 2.88Å
120	R	76.9	Confident	58.4	Low	157 Å²	157	108.2 Å²	108.2	59%	0.592	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.8	132.5	167.7	-170.9	-168.8	-60.9	-102.2	-2.9	108.4	E24 A31 L118 V122	E24-R120 IonicContact OE1-CZ 3.78Å; E24-R120 IonicContact OE1-NE 3.15Å; E24-R120 PolarHBondContact OE1-NE 3.19Å; E24-R120 VanDerWaalsContact OE1-NE 3.15Å; E24-R120 IonicContact OE1-NH2 3.62Å; A31-R120 HydrophobicContact CB-CB 4.37Å; A31-R120 PolarHBondContact N-O 3.21Å; A31-R120 PolarHBondContact O-N 3.47Å; L118-R120 PolarHBondContact O-N 3.31Å; R120-V122 PolarHBondContact O-N 3.19Å
121	A	73.5	Confident	56.1	Low	78 Å²	78	107.4 Å²	107.4	65%	0.645	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.5	128.5	169	0	0	0	0	0	108.7	D29	D29-A121 WeakPolarHBondContact O-CA 3.3Å
122	V	71.1	Confident	54.5	Low	53 Å²	53	109.7 Å²	109.7	32%	0.321	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-82.4	119.7	172.1	-178	0	0	0	0	107	I26 D29 A31 R120 K124	I26-V122 HydrophobicContact CD1-CG2 4.35Å; I26-V122 HydrophobicContact CG1-CG2 4.28Å; I26-V122 HydrophobicContact CG2-CG2 3.81Å; D29-V122 PolarHBondContact O-N 3.41Å; A31-V122 HydrophobicContact CB-CG2 3.68Å; R120-V122 PolarHBondContact O-N 3.19Å; V122-K124 PolarHBondContact O-N 3.37Å; V122-K124 VanDerWaalsContact O-N 3.15Å
123	A	57	Low	52.6	Low	91 Å²	91	120.2 Å²	120.2	75%	0.752	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.3	173.6	0	0	0	0	0	107.9	H125	A123-H125 PolarHBondContact O-N 3.12Å
124	K	50.8	Low	51.8	Low	150 Å²	150	125.3 Å²	125.3	65%	0.652	63%	0.627	S	S	*	*			trans	-55.4	110.6	173	-66	-175.5	179.2	-176	0	106.7	D29 V122 V126	D29-K124 WeakPolarHBondContact OD1-CE 3.02Å; D29-K124 IonicContact OD1-NZ 3.94Å; D29-K124 VanDerWaalsContact OD2-CE 3.29Å; D29-K124 WeakPolarHBondContact OD2-CE 3.33Å; D29-K124 IonicContact OD2-NZ 3.35Å; D29-K124 PolarHBondContact OD2-NZ 3.09Å; V122-K124 PolarHBondContact O-N 3.37Å; V122-K124 VanDerWaalsContact O-N 3.15Å; K124-V126 PolarHBondContact O-N 3.42Å
125	H	40.5	Very low	50.4	Low	168 Å²	168	129.9 Å²	129.9	78%	0.778	65%	0.65	S	S	*	*			trans	-64.7	99.8	166.4	-142.9	-76.8	0	0	0	104.6	A123 D127	A123-H125 PolarHBondContact O-N 3.12Å; H125-D127 PolarHBondContact O-N 2.76Å
126	V	37.9	Very low	49.7	Very low	101 Å²	101	130.2 Å²	130.2	61%	0.612	66%	0.664	S	S	*	*			trans	-58.6	119	162.8	-178.6	0	0	0	0	103.3	K124 T128	K124-V126 PolarHBondContact O-N 3.42Å; V126-T128 HydrophobicContact CG1-CG2 4.1Å; V126-T128 PolarHBondContact O-N 3.25Å; V126-T128 PolarHBondContact O-OG1 3.05Å
127	D	38.6	Very low	48.9	Very low	152 Å²	152	132.8 Å²	132.8	81%	0.813	69%	0.686	S	S	*	*			trans	-64.1	75	163.8	-76.7	-42	0	0	0	107.3	H125 H129	H125-D127 PolarHBondContact O-N 2.76Å; D127-H129 PolarHBondContact O-N 2.82Å
128	T	35.5	Very low	48.1	Very low	99 Å²	99	134.5 Å²	134.5	61%	0.607	69%	0.687	S	S	*	*			trans	-71	88.2	155.3	34.6	0	0	0	0	105.1	V126 M130	V126-T128 HydrophobicContact CG1-CG2 4.1Å; V126-T128 PolarHBondContact O-N 3.25Å; V126-T128 PolarHBondContact O-OG1 3.05Å; T128-M130 PolarHBondContact O-N 2.92Å
129	H	36.4	Very low	47.2	Very low	173 Å²	173	137.8 Å²	137.8	80%	0.801	70%	0.704	S	S	*	*			trans	-51.3	97.7	157.7	-169.3	-25.9	0	0	0	106.5	D127 H131	D127-H129 PolarHBondContact O-N 2.82Å; H129-H131 PolarHBondContact O-N 3.49Å
130	M	37.2	Very low	45.9	Very low	144 Å²	144	140.2 Å²	140.2	71%	0.709	73%	0.725	S	S	*	*			trans	-56.9	117.1	176.6	-78.7	-76	-154.6	0	0	107.3	T128 I132	T128-M130 PolarHBondContact O-N 2.92Å; M130-I132 PolarHBondContact O-N 3.22Å
131	H	31.9	Very low	44	Very low	188 Å²	188	135.9 Å²	135.9	87%	0.87	73%	0.729	S	S	*	*			trans	-59.8	88	159.8	-78.3	-76.4	0	0	0	107.9	H129 R133	H129-H131 PolarHBondContact O-N 3.49Å; H131-R133 VanDerWaalsContact C-N 3.32Å; H131-R133 PolarHBondContact O-N 3.06Å; H131-R133 VanDerWaalsContact O-N 3.07Å
132	I	40.9	Very low	42.3	Very low	136 Å²	136	138.3 Å²	138.3	70%	0.697	74%	0.741	S	S	*	*			trans	-74.1	97.6	162.8	-64.4	179	0	0	0	105.9	M130 R134	M130-I132 PolarHBondContact O-N 3.22Å; I132-R134 PolarHBondContact O-N 3.04Å; I132-R134 VanDerWaalsContact O-N 3.14Å
133	R	35.1	Very low	41.1	Very low	229 Å²	229	139 Å²	139	86%	0.864	75%	0.753	S	S	*	*			trans	-49.9	112.8	157.1	-73.3	178.7	175.1	155.1	-2.4	108.2	H131	H131-R133 VanDerWaalsContact C-N 3.32Å; H131-R133 PolarHBondContact O-N 3.06Å; H131-R133 VanDerWaalsContact O-N 3.07Å
134	R	43.1	Very low	40.3	Very low	225 Å²	225	142.5 Å²	142.5	85%	0.849	76%	0.759	S	S	*	*			trans	-130.3	107.8	149.6	-103.7	-176.2	178.7	122.1	0.4	106.8	I132	I132-R134 PolarHBondContact O-N 3.04Å; I132-R134 VanDerWaalsContact O-N 3.14Å
135	D	35.7	Very low	39.8	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	76%	0.76	S	S	*	*			trans	-52.4	155.8	161.6	-67.8	-52.3	0	0	0	110.9
136	A	47	Very low	39.7	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	77%	0.766	S	S	*	*			trans	110.8	77.6	177.8	0	0	0	0	0	111.1
137	S	45.5	Very low	39.6	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	77%	0.772	S	S	*	*				65.1	119	89.8	68.1	0	0	0	0	112.9
138	D	42.7	Very low	39.9	Very low	143 Å²	143	141.1 Å²	141.1	77%	0.765	77%	0.773	S	S	*	*			trans	100.6	105.2	149.8	-61.8	-17.8	0	0	0	120.1
139	L	44.5	Very low	40.3	Very low	145 Å²	145	143.3 Å²	143.3	76%	0.759	78%	0.781	S	S	*	*			trans	89	98.2	132	-88.8	100.1	0	0	0	121
140	L	41.9	Very low	40.4	Very low	171 Å²	171	139.8 Å²	139.8	90%	0.895	78%	0.782	S	S	*	*				70.4	123.4	111	-135.3	90.8	0	0	0	121.1
141	G	36.6	Very low	40.3	Very low	66 Å²	66	140.3 Å²	140.3	68%	0.68	79%	0.788	S	S	*	*			trans	117.3	93.9	148.9	0	0	0	0	0	114.2
142	S	39	Very low	40.9	Very low	129 Å²	129	136.4 Å²	136.4	90%	0.902	78%	0.782	S	S	*	*				54.9	135.3	97.9	-94.4	0	0	0	0	114.4
143	A	45.3	Very low	40.8	Very low	68 Å²	68	139.6 Å²	139.6	56%	0.562	79%	0.791	S	S	*	*			cis	-171.6	164.9	-3.7	0	0	0	0	0	106.2
144	D	40	Very low	41	Very low	165 Å²	165	141.1 Å²	141.1	88%	0.882	80%	0.796	S	S	*	*			trans	69.5	134.6	160.5	-46.9	-31.5	0	0	0	117.2
145	G	40.7	Very low	40.9	Very low	65 Å²	65	138.7 Å²	138.7	67%	0.67	80%	0.797	S	S	*	*			cis	152.2	135.7	10.2	0	0	0	0	0	107.8
146	F	38.9	Very low	40.9	Very low	208 Å²	208	142.4 Å²	142.4	91%	0.912	80%	0.799	S	S	*	*			trans	77.3	102.1	160.9	-80.9	-93.7	0	0	0	122.4
147	S	36.1	Very low	40.6	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	81%	0.812	S	S	*	*				31.6	111.7	121.1	-166.6	0	0	0	0	119.6
148	I	43.6	Very low	40.2	Very low	164 Å²	164	146.3 Å²	146.3	84%	0.841	81%	0.81	S	S	*	*			trans	-132.4	134.6	153.5	-74.7	179.6	0	0	0	109.9
149	D	43.5	Very low	39.9	Very low	144 Å²	144	147.3 Å²	147.3	77%	0.77	82%	0.816	S	S	*	*			trans	-48.7	150.5	177.9	-65.6	-68.4	0	0	0	116	D151	D149-D151 PolarHBondContact O-N 3.23Å
150	A	39.7	Very low	39.6	Very low	99 Å²	99	145.8 Å²	145.8	82%	0.818	82%	0.817	S	S	*	*	S	Bend	trans	-71.8	103.7	169.8	0	0	0	0	0	110.8
151	D	35.4	Very low	39.5	Very low	155 Å²	155	143.8 Å²	143.8	83%	0.829	81%	0.812	S	S	*	*			trans	-173.2	146.8	132.2	-115.6	-33.5	0	0	0	109.5	D149	D149-D151 PolarHBondContact O-N 3.23Å
152	S	44.1	Very low	39.6	Very low	107 Å²	107	149.7 Å²	149.7	75%	0.748	82%	0.822	S	S	*	*			trans	85.9	86.1	172.9	-43.8	0	0	0	0	117.8
153	K	39.3	Very low	39.5	Very low	203 Å²	203	146.7 Å²	146.7	88%	0.883	81%	0.811	S	S	*	*			trans	-176	80.4	145.3	-106.9	165.8	-174.6	176.3	0	112.9
154	R	39.2	Very low	39.2	Very low	260 Å²	260	152.4 Å²	152.4	98%	0.981	83%	0.831	S	S	*	*			trans	-141.7	62.4	144.6	-77.6	-160.1	177.4	-153.6	-0.6	109.6
155	M	40.2	Very low	39	Very low	175 Å²	175	151.8 Å²	151.8	86%	0.862	83%	0.828	S	S	*	*			trans	-135.3	141.9	161.5	-97.3	-76.4	-170.1	0	0	106.1
156	R	36.8	Very low	38.7	Very low	232 Å²	232	156 Å²	156	88%	0.875	83%	0.83	S	S	*	*			trans	95.5	79.8	-178.2	-58.1	-177.5	175	158.1	-0.3	116.4
157	L	39.5	Very low	38.5	Very low	188 Å²	188	151 Å²	151	98%	0.984	82%	0.82	S	S	*	*				-109.5	99.2	125.4	-73.8	171.8	0	0	0	106.3
158	A	37.8	Very low	38.7	Very low	80 Å²	80	154 Å²	154	66%	0.661	83%	0.827	S	S	*	*			trans	-145.5	127.9	169.9	0	0	0	0	0	107.6
159	N	35.9	Very low	38.1	Very low	165 Å²	165	155.2 Å²	155.2	88%	0.882	84%	0.835	S	S	*	*			trans	152	112.2	168.9	-86.3	6.6	0	0	0	102.1
160	S	37.6	Very low	37.6	Very low	113 Å²	113	151.4 Å²	151.4	79%	0.79	83%	0.829	S	S	*	*			cis	-168.3	143.3	46.7	-144.8	0	0	0	0	103.8
161	V	41.2	Very low	37.5	Very low	129 Å²	129	157.8 Å²	157.8	78%	0.782	83%	0.832	S	S	*	*				-174.7	139.7	70.3	168.4	0	0	0	0	106.8
162	E	38.6	Very low	37.3	Very low	190 Å²	190	159.2 Å²	159.2	89%	0.888	83%	0.834	S	S	*	*			trans	-41.5	149.4	167.7	-58.9	164.5	157.8	0	0	112.4
163	G	36.2	Very low	36.9	Very low	65 Å²	65	160 Å²	160	67%	0.67	84%	0.84	S	S	*	*			cis	147.7	143.1	33.4	0	0	0	0	0	104.6
164	L	39.9	Very low	36.8	Very low	188 Å²	188	159.7 Å²	159.7	98%	0.984	84%	0.841	S	S	*	*			trans	164.5	135.2	144.7	-85.5	171.2	0	0	0	109.3
165	D	34.3	Very low	36.6	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	83%	0.83	S	S	*	*			trans	-89.3	-179.9	-158.3	-167.3	8.7	0	0	0	112.7
166	E	35.5	Very low	36.2	Very low	154 Å²	154	154.7 Å²	154.7	72%	0.72	83%	0.832	S	S	*	*			trans	95.5	94.7	149.6	-75.3	-151.2	114.1	0	0	119.4
167	S	34.8	Very low	36.3	Very low	102 Å²	102	151.9 Å²	151.9	71%	0.713	83%	0.833	S	S	*	*				83.1	146.6	115.9	86.2	0	0	0	0	118
168	L	39	Very low	36.2	Very low	168 Å²	168	152.5 Å²	152.5	88%	0.88	83%	0.828	S	S	*	*			trans	90	39.4	173.8	-133.3	86.6	0	0	0	118.4	G170	L168-G170 PolarHBondContact O-N 2.97Å
169	L	32.3	Very low	35.9	Very low	191 Å²	191	154 Å²	154	100%	1	83%	0.834	S	S	*	*			trans	-87.4	83.7	159.8	-80.1	164.3	0	0	0	110
170	G	33.4	Very low	36	Very low	63 Å²	63	150.7 Å²	150.7	65%	0.649	83%	0.829	S	S	*	*			trans	-158.6	36.8	-175.1	0	0	0	0	0	114.1	L168	L168-G170 PolarHBondContact O-N 2.97Å
171	R	36.7	Very low	36.3	Very low	234 Å²	234	151.6 Å²	151.6	88%	0.883	83%	0.83	S	S	*	*	S	Bend	trans	-179.4	155.5	164.5	-113.3	164.1	160.4	150	-6.3	107.3
172	E	31.5	Very low	36.8	Very low	185 Å²	185	152.8 Å²	152.8	86%	0.864	83%	0.831	S	S	*	*			trans	90.6	58.6	174.3	-47.4	-173.9	163.3	0	0	116.9
173	S	35.6	Very low	37.4	Very low	124 Å²	124	149.4 Å²	149.4	87%	0.867	82%	0.819	S	S	*	*	S	Bend	trans	-123.5	30.5	158.6	-37.2	0	0	0	0	112.3
174	Q	37.5	Very low	38.8	Very low	195 Å²	195	154.4 Å²	154.4	91%	0.911	83%	0.825	S	S	*	*	S	Bend	trans	-138.4	58.1	171.4	-76.7	-172.3	10.6	0	0	110.2
175	A	33.9	Very low	40.2	Very low	90 Å²	90	151.5 Å²	151.5	74%	0.744	81%	0.806	S	S	*	*	S	Bend	trans	-157.1	-5.2	169.8	0	0	0	0	0	115.6
176	R	33.3	Very low	41.8	Very low	240 Å²	240	146.7 Å²	146.7	91%	0.906	79%	0.787	S	S	*	*			trans	-108	37.4	-174.2	-80	-166.7	170.3	179.6	-0.2	115.4
177	L	37.8	Very low	43.4	Very low	173 Å²	173	144.7 Å²	144.7	91%	0.906	78%	0.781	S	S	*	*	S	Bend	trans	-112.5	40.1	166.3	-74.5	172.2	0	0	0	111.4
178	K	37.9	Very low	45.3	Very low	202 Å²	202	141.5 Å²	141.5	88%	0.878	76%	0.76	S	S	*	*	S	Bend	trans	-156.8	64	172.6	-67.2	-169.2	-178.9	174.6	0	112
179	S	30	Very low	47	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	74%	0.742	S	S	*	*			trans	-165.2	82.1	161.6	66.5	0	0	0	0	111.9
180	A	39.5	Very low	49.1	Very low	96 Å²	96	135.7 Å²	135.7	79%	0.793	72%	0.721	S	S	*	*			trans	-149.5	55.6	157.6	0	0	0	0	0	107.3	L182	A180-L182 PolarHBondContact O-N 3.22Å
181	V	42.5	Very low	51.1	Low	131 Å²	131	140.5 Å²	140.5	79%	0.794	72%	0.724	S	S	*	*			trans	-83.7	99.1	168.3	177.9	0	0	0	0	104.8
182	L	52.6	Low	53.1	Low	154 Å²	154	137.4 Å²	137.4	81%	0.806	71%	0.713	S	S	*	*			trans	-73.7	125.4	170	-70.7	166.9	0	0	0	107.4	A180 E184	A180-L182 PolarHBondContact O-N 3.22Å; L182-E184 PolarHBondContact O-N 3.33Å
183	D	50.6	Low	55.1	Low	119 Å²	119	133.5 Å²	133.5	64%	0.636	70%	0.698	S	S	*	*			trans	-54.5	106.6	-168.8	-64.6	-46.2	0	0	0	113	E185 A186	D183-E185 PolarHBondContact O-N 3.49Å; D183-A186 HydrophobicContact CB-CB 4.37Å; D183-A186 PolarHBondContact O-N 3.25Å
184	E	65.2	Low	56.6	Low	170 Å²	170	132.6 Å²	132.6	79%	0.794	68%	0.683	S	S	*	*	H	α-helix	trans	-55.2	-23.3	173.6	-163.8	168.5	-176.4	0	0	112	L182 A188	L182-E184 PolarHBondContact O-N 3.33Å; E184-A188 WeakPolarHBondContact O-CB 3.33Å; E184-A188 PolarHBondContact O-N 3.32Å
185	E	69.5	Low	58.2	Low	127 Å²	127	125.9 Å²	125.9	59%	0.593	66%	0.66	S	S	*	*	H	α-helix	trans	-74.1	-32.4	177	-151.8	-175.2	161	0	0	113.5	D183 A188 R189	D183-E185 PolarHBondContact O-N 3.49Å; E185-A188 PolarHBondContact O-N 3Å; E185-R189 WeakPolarHBondContact O-CG 3.23Å; E185-R189 PolarHBondContact O-N 3.14Å; E185-R189 IonicContact OE1-CZ 2.66Å; E185-R189 IonicContact OE1-NE 3.4Å; E185-R189 IonicContact OE1-NH2 3.36Å; E185-R189 PolarHBondContact OE1-NH2 3.02Å; E185-R189 IonicContact OE2-NH2 2.71Å; E185-R189 PolarHBondContact OE2-NH2 3.2Å
186	A	69.1	Low	59.9	Low	51 Å²	51	124.2 Å²	124.2	42%	0.421	65%	0.647	S	S	.	*	H	α-helix	trans	-69	-39.2	177	0	0	0	0	0	111.3	D183 A188 R189 D190	D183-A186 HydrophobicContact CB-CB 4.37Å; D183-A186 PolarHBondContact O-N 3.25Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.01Å; A186-R189 PolarHBondContact O-N 2.97Å; A186-D190 PolarHBondContact O-N 3.48Å
187	I	67.9	Low	61.5	Low	112 Å²	112	120 Å²	120	57%	0.574	64%	0.635	S	S	*	*	H	α-helix	trans	-67.8	-33.1	175.3	-58.5	173	0	0	0	110.8	K191	I187-K191 PolarHBondContact O-N 3.06Å
188	A	75.1	Confident	62.3	Low	35 Å²	35	116.7 Å²	116.7	29%	0.289	62%	0.618	S	S	.	*	H	α-helix	trans	-75.2	-26.7	177.3	0	0	0	0	0	113.8	E184 E185 A186 R192	E184-A188 WeakPolarHBondContact O-CB 3.33Å; E184-A188 PolarHBondContact O-N 3.32Å; E185-A188 PolarHBondContact O-N 3Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.01Å; A188-R192 WeakPolarHBondContact O-CG 3.36Å; A188-R192 PolarHBondContact O-NH1 3.4Å
189	R	75.7	Confident	63.3	Low	130 Å²	130	114.6 Å²	114.6	49%	0.491	61%	0.611	S	S	.	*	H	α-helix	trans	-74.1	-45.1	172.4	-70.9	-175	-155.1	110.3	1.2	111.4	E185 A186 K191 R192 D193	E185-R189 WeakPolarHBondContact O-CG 3.23Å; E185-R189 PolarHBondContact O-N 3.14Å; E185-R189 IonicContact OE1-CZ 2.66Å; E185-R189 IonicContact OE1-NE 3.4Å; E185-R189 IonicContact OE1-NH2 3.36Å; E185-R189 PolarHBondContact OE1-NH2 3.02Å; E185-R189 IonicContact OE2-NH2 2.71Å; E185-R189 PolarHBondContact OE2-NH2 3.2Å; A186-R189 PolarHBondContact O-N 2.97Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 2.85Å; R189-R192 PolarHBondContact O-N 3.14Å; R189-D193 PolarHBondContact O-N 2.97Å
190	D	75.3	Confident	64.6	Low	107 Å²	107	113.3 Å²	113.3	57%	0.572	60%	0.602	S	S	*	*	H	α-helix	trans	-63.3	-35.8	-179.2	-156.1	43.2	0	0	0	112.2	A186 R192 L194	A186-D190 PolarHBondContact O-N 3.48Å; D190-R192 PolarHBondContact O-N 3.47Å; D190-L194 PolarHBondContact O-N 3.49Å; D190-L194 VanDerWaalsContact O-N 3.14Å
191	K	75.8	Confident	64.9	Low	164 Å²	164	113.4 Å²	113.4	71%	0.713	60%	0.597	S	S	*	*	H	α-helix	trans	-65.3	-33.3	170.8	-99	-174.8	176.1	-177.9	0	114.1	I187 R189 A195	I187-K191 PolarHBondContact O-N 3.06Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 2.85Å; K191-A195 PolarHBondContact O-N 3.04Å
192	R	78.4	Confident	65	Low	170 Å²	170	115.2 Å²	115.2	64%	0.642	60%	0.595	S	S	*	*	H	α-helix	trans	-75.3	-40	178.4	-76.8	-176.4	-175.7	99.9	-8.8	111.5	A188 R189 D190 L194 A195 A196	A188-R192 WeakPolarHBondContact O-CG 3.36Å; A188-R192 PolarHBondContact O-NH1 3.4Å; R189-R192 PolarHBondContact O-N 3.14Å; D190-R192 PolarHBondContact O-N 3.47Å; R192-L194 VanDerWaalsContact C-N 3.34Å; R192-L194 PolarHBondContact O-N 3.06Å; R192-A195 PolarHBondContact O-N 3.44Å; R192-A196 PolarHBondContact O-N 2.93Å
193	D	74.2	Confident	64.5	Low	103 Å²	103	110.9 Å²	110.9	55%	0.551	59%	0.587	S	S	*	*	H	α-helix	trans	-66.2	-35.9	176.8	-78.3	-12.1	0	0	0	112.2	R189 K197	R189-D193 PolarHBondContact O-N 2.97Å; D193-K197 PolarHBondContact O-N 3.23Å
194	L	67.4	Low	63.9	Low	105 Å²	105	112.2 Å²	112.2	55%	0.55	59%	0.594	S	S	.	*	H	α-helix	trans	-66.7	-36.2	173.2	-109.8	158.8	0	0	0	112.8	D190 R192 L198	D190-L194 PolarHBondContact O-N 3.49Å; D190-L194 VanDerWaalsContact O-N 3.14Å; R192-L194 VanDerWaalsContact C-N 3.34Å; R192-L194 PolarHBondContact O-N 3.06Å; L194-L198 PolarHBondContact O-N 2.84Å
195	A	69.9	Low	62.6	Low	53 Å²	53	116 Å²	116	44%	0.438	60%	0.601	S	S	.	*	H	α-helix	trans	-70.2	-41.9	175.7	0	0	0	0	0	112	K191 R192 K197 L198 E199	K191-A195 PolarHBondContact O-N 3.04Å; R192-A195 PolarHBondContact O-N 3.44Å; A195-K197 PolarHBondContact O-N 3.4Å; A195-L198 WeakPolarHBondContact O-CB 3.34Å; A195-L198 PolarHBondContact O-N 2.83Å; A195-L198 VanDerWaalsContact O-N 3.15Å; A195-E199 PolarHBondContact O-N 2.86Å
196	A	69.8	Low	60.8	Low	56 Å²	56	115.5 Å²	115.5	46%	0.463	61%	0.611	S	S	.	*	H	α-helix	trans	-65.6	-35.5	177	0	0	0	0	0	112.8	R192 L198 E199 S200	R192-A196 PolarHBondContact O-N 2.93Å; A196-L198 VanDerWaalsContact C-N 3.33Å; A196-E199 PolarHBondContact O-N 2.93Å; A196-S200 PolarHBondContact O-N 3.25Å; A196-S200 VanDerWaalsContact O-N 3.13Å; A196-S200 PolarHBondContact O-OG 2.72Å
197	K	67.9	Low	59.3	Low	152 Å²	152	118.8 Å²	118.8	66%	0.661	63%	0.632	S	S	*	*	H	α-helix	trans	-67.4	-30.6	172.2	-82.1	176.7	176.2	171.8	0	113.2	D193 A195 S200 S201	D193-K197 PolarHBondContact O-N 3.23Å; A195-K197 PolarHBondContact O-N 3.4Å; K197-S200 WeakPolarHBondContact CA-OG 3.43Å; K197-S200 PolarHBondContact O-OG 3.31Å; K197-S201 PolarHBondContact O-OG 2.71Å
198	L	54.3	Low	57.9	Low	103 Å²	103	118.8 Å²	118.8	54%	0.539	64%	0.642	S	S	.	*	H	α-helix	trans	-71.7	-45.7	174	-119.6	106.6	0	0	0	111.2	L194 A195 A196 S200 S201 F202	L194-L198 PolarHBondContact O-N 2.84Å; A195-L198 WeakPolarHBondContact O-CB 3.34Å; A195-L198 PolarHBondContact O-N 2.83Å; A195-L198 VanDerWaalsContact O-N 3.15Å; A196-L198 VanDerWaalsContact C-N 3.33Å; L198-S200 PolarHBondContact O-N 3.04Å; L198-S201 PolarHBondContact O-N 3.49Å; L198-F202 HydrophobicContact CD2-CE2 4.08Å; L198-F202 HydrophobicContact CG-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å
199	E	58.9	Low	55.8	Low	157 Å²	157	125.1 Å²	125.1	73%	0.734	66%	0.663	S	S	*	*	H	α-helix	trans	-66.3	-37.6	-178.7	-76.2	-174	164	0	0	113.4	A195 A196 S201 F202	A195-E199 PolarHBondContact O-N 2.86Å; A196-E199 PolarHBondContact O-N 2.93Å; E199-S201 PolarHBondContact O-N 2.9Å; E199-F202 PolarHBondContact O-N 3.08Å
200	S	56.5	Low	53.9	Low	85 Å²	85	126.7 Å²	126.7	59%	0.594	68%	0.679	S	S	*	*	H	α-helix	trans	-68.7	-19.2	176.4	50.3	0	0	0	0	114.2	A196 K197 L198	A196-S200 PolarHBondContact O-N 3.25Å; A196-S200 VanDerWaalsContact O-N 3.13Å; A196-S200 PolarHBondContact O-OG 2.72Å; K197-S200 WeakPolarHBondContact CA-OG 3.43Å; K197-S200 PolarHBondContact O-OG 3.31Å; L198-S200 PolarHBondContact O-N 3.04Å
201	S	46.2	Very low	52	Low	97 Å²	97	128 Å²	128	68%	0.678	68%	0.682	S	S	*	*	H	α-helix	trans	-86	-15	179.7	-63.2	0	0	0	0	113.8	K197 L198 E199	K197-S201 PolarHBondContact O-OG 2.71Å; L198-S201 PolarHBondContact O-N 3.49Å; E199-S201 PolarHBondContact O-N 2.9Å
202	F	45.6	Very low	50.1	Low	170 Å²	170	125.8 Å²	125.8	75%	0.746	68%	0.684	S	S	*	*	S	Bend	trans	-96	-5.5	178.9	-71.4	-73.9	0	0	0	114.2	L198 E199 N204	L198-F202 HydrophobicContact CD2-CE2 4.08Å; L198-F202 HydrophobicContact CG-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å; E199-F202 PolarHBondContact O-N 3.08Å; F202-N204 PolarHBondContact O-N 2.83Å
203	G	40.9	Very low	47.9	Very low	62 Å²	62	124.6 Å²	124.6	64%	0.639	69%	0.691	S	S	*	*	S	Bend	trans	-79	-9.1	-174.9	0	0	0	0	0	116.7
204	N	38	Very low	45.8	Very low	148 Å²	148	126.8 Å²	126.8	79%	0.791	70%	0.697	S	S	*	*			trans	-119.7	55.5	-167.7	-83.7	4.8	0	0	0	113.9	F202	F202-N204 PolarHBondContact O-N 2.83Å
205	R	38.3	Very low	44.3	Very low	248 Å²	248	128.1 Å²	128.1	94%	0.936	71%	0.71	S	S	*	*			trans	-146.4	95.8	156.6	-69.2	-163.4	-176	-144	-1.3	111.2
206	S	32.9	Very low	42.5	Very low	117 Å²	117	132.9 Å²	132.9	82%	0.818	72%	0.721	S	S	*	*			trans	-84.9	161.7	171.4	44.4	0	0	0	0	111.9
207	S	35.9	Very low	40.7	Very low	121 Å²	121	135.3 Å²	135.3	85%	0.846	73%	0.734	S	S	*	*			trans	88.2	116.5	176.3	-171	0	0	0	0	114.3
208	S	40	Very low	39.3	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	74%	0.741	S	S	*	*			cis	-146.9	146.4	19.8	48.8	0	0	0	0	111.5
209	F	30.3	Very low	38.3	Very low	168 Å²	168	134 Å²	134	74%	0.737	75%	0.748	S	S	*	*			trans	-80.8	124.2	-170.4	171.1	-99.8	0	0	0	112.1	Q211	F209-Q211 HydrophobicContact CD1-CG 4.4Å; F209-Q211 HydrophobicContact CE1-CG 3.52Å; F209-Q211 HydrophobicContact CE2-CG 4.23Å; F209-Q211 HydrophobicContact CZ-CG 3.42Å; F209-Q211 VanDerWaalsContact CZ-CG 3.42Å
210	I	36.1	Very low	37.3	Very low	162 Å²	162	134 Å²	134	83%	0.831	75%	0.752	S	S	*	*			trans	-129.1	124.9	158.1	-61.2	-178.8	0	0	0	106.9
211	Q	34.7	Very low	36.5	Very low	135 Å²	135	134.8 Å²	134.8	63%	0.631	76%	0.755	S	S	*	*			trans	-63.4	142.6	-170.9	-69.1	174.5	-2.6	0	0	113	F209 D213	F209-Q211 HydrophobicContact CD1-CG 4.4Å; F209-Q211 HydrophobicContact CE1-CG 3.52Å; F209-Q211 HydrophobicContact CE2-CG 4.23Å; F209-Q211 HydrophobicContact CZ-CG 3.42Å; F209-Q211 VanDerWaalsContact CZ-CG 3.42Å; Q211-D213 PolarHBondContact O-N 2.93Å
212	P	35.5	Very low	36.4	Very low	117 Å²	117	138.7 Å²	138.7	76%	0.76	76%	0.763	S	S	*	*	S	Bend	trans	-92.6	67.6	179	38.4	-31.6	0	0	0	110.3
213	D	31.9	Very low	36.7	Very low	145 Å²	145	135 Å²	135	78%	0.775	76%	0.764	S	S	*	*	S	Bend	trans	-133.8	122.8	161.1	-103.9	-27.9	0	0	0	105.7	Q211	Q211-D213 PolarHBondContact O-N 2.93Å
214	Q	30.6	Very low	37.8	Very low	149 Å²	149	134.6 Å²	134.6	70%	0.696	75%	0.749	S	S	*	*			trans	96.5	45.7	-166.6	-50.7	-73.3	-46.3	0	0	116.6	K216	Q214-K216 PolarHBondContact O-N 2.74Å
215	V	36.9	Very low	39.6	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	74%	0.735	S	S	*	*			trans	-82.9	74.8	158.5	-165.7	0	0	0	0	109.2	S217	V215-S217 PolarHBondContact O-N 2.96Å
216	K	30.9	Very low	41	Very low	153 Å²	153	123.1 Å²	123.1	67%	0.665	71%	0.71	S	S	*	*			trans	-56.9	125.8	160.8	-72.8	168.6	176.9	163.2	0	107.8	Q214 S218	Q214-K216 PolarHBondContact O-N 2.74Å; K216-S218 PolarHBondContact O-N 3.28Å
217	S	32	Very low	42.8	Very low	106 Å²	106	123.4 Å²	123.4	74%	0.741	70%	0.702	S	S	*	*			trans	-22.3	105.3	159	51.1	0	0	0	0	112.5	V215 T219	V215-S217 PolarHBondContact O-N 2.96Å; S217-T219 VanDerWaalsContact C-N 3.31Å; S217-T219 PolarHBondContact O-N 3.47Å; S217-T219 PolarHBondContact O-OG1 3.23Å
218	S	38.4	Very low	44.5	Very low	114 Å²	114	123.2 Å²	123.2	80%	0.797	69%	0.686	S	S	*	*			trans	-83.5	79.7	179.2	49.7	0	0	0	0	111.2	K216	K216-S218 PolarHBondContact O-N 3.28Å
219	T	34.6	Very low	46	Very low	115 Å²	115	120.5 Å²	120.5	71%	0.706	66%	0.662	S	S	*	*				54	72.8	122.3	-35.7	0	0	0	0	118.5	S217 P221	S217-T219 VanDerWaalsContact C-N 3.31Å; S217-T219 PolarHBondContact O-N 3.47Å; S217-T219 PolarHBondContact O-OG1 3.23Å; T219-P221 HydrophobicContact CG2-CG 4.3Å
220	L	37.5	Very low	48	Very low	156 Å²	156	117.9 Å²	117.9	82%	0.817	65%	0.653	S	S	*	*				-108.6	103.4	123.9	-80.4	171.1	0	0	0	106.4	E222	L220-E222 PolarHBondContact O-N 3.04Å
221	P	38.6	Very low	49.7	Very low	101 Å²	101	112.9 Å²	112.9	66%	0.656	63%	0.632	S	S	*	*			trans	-74.5	121.8	169.8	30.7	-23.8	0	0	0	106	T219	T219-P221 HydrophobicContact CG2-CG 4.3Å
222	E	45.8	Very low	51.6	Low	180 Å²	180	108.8 Å²	108.8	84%	0.841	61%	0.611	S	S	*	*	S	Bend	trans	74.4	141	160.7	-145.6	161.3	176.4	0	0	115.8	L220 V224	L220-E222 PolarHBondContact O-N 3.04Å; E222-V224 PolarHBondContact O-N 3.15Å; E222-V224 VanDerWaalsContact O-N 3.11Å
223	A	50.4	Low	53.1	Low	93 Å²	93	108.5 Å²	108.5	77%	0.769	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-58.6	116.7	-178.4	0	0	0	0	0	110.2	P225	A223-P225 VanDerWaalsContact O-CD 3.28Å; A223-P225 WeakPolarHBondContact O-CD 3.48Å
224	V	63.7	Low	55	Low	52 Å²	52	104.4 Å²	104.4	32%	0.315	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-64.6	118	177.1	179.4	0	0	0	0	108.6	E222 K228 I229 W232	E222-V224 PolarHBondContact O-N 3.15Å; E222-V224 VanDerWaalsContact O-N 3.11Å; V224-K228 HydrophobicContact CG1-CB 3.72Å; V224-K228 HydrophobicContact CG1-CD 4.23Å; V224-K228 HydrophobicContact CG1-CG 4.12Å; V224-I229 HydrophobicContact CG1-CG1 3.92Å; V224-W232 HydrophobicContact CG1-CH2 4.46Å; V224-W232 HydrophobicContact CG1-CZ3 4.37Å
225	P	76	Confident	57	Low	79 Å²	79	101.4 Å²	101.4	51%	0.513	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-64.2	149.5	-177.1	21	-28.4	0	0	0	111.2	A223 D227 K228 I229	A223-P225 VanDerWaalsContact O-CD 3.28Å; A223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-D227 PolarHBondContact O-N 3.13Å; P225-D227 VanDerWaalsContact O-N 3.11Å; P225-K228 HydrophobicContact CG-CB 4.19Å; P225-K228 WeakPolarHBondContact O-CB 3.47Å; P225-K228 PolarHBondContact O-N 3.23Å; P225-I229 PolarHBondContact O-N 3.22Å
226	L	68	Low	58.3	Low	76 Å²	76	98.6 Å²	98.6	40%	0.398	54%	0.542	S	S	.	.	H	α-helix	trans	-53.8	-36.4	-175.1	-177.8	63.1	0	0	0	112.4	K228 I229 Q230 Y443	L226-K228 VanDerWaalsContact C-N 3.27Å; L226-K228 PolarHBondContact O-N 3.25Å; L226-I229 WeakPolarHBondContact O-CB 3.48Å; L226-I229 PolarHBondContact O-N 2.96Å; L226-Q230 HydrophobicContact CG-CG 4.4Å; L226-Q230 WeakPolarHBondContact O-CG 3.24Å; L226-Q230 PolarHBondContact O-N 2.97Å; L226-Y443 WeakPolarHBondContact CD2-OH 3.45Å
227	D	71.1	Confident	60	Low	123 Å²	123	99.4 Å²	99.4	66%	0.658	54%	0.541	S	S	*	.	H	α-helix	trans	-62.2	-35	178.1	-64.6	-22.8	0	0	0	112.5	P225 Q230 S231	P225-D227 PolarHBondContact O-N 3.13Å; P225-D227 VanDerWaalsContact O-N 3.11Å; D227-Q230 PolarHBondContact O-N 3.14Å; D227-S231 WeakPolarHBondContact O-CB 3.48Å; D227-S231 PolarHBondContact O-N 3.3Å
228	K	70.6	Confident	61.6	Low	118 Å²	118	96.3 Å²	96.3	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-72.2	-38.7	177.8	-153.4	162	-171.9	179.5	0	110.5	V224 P225 L226 S231 W232	V224-K228 HydrophobicContact CG1-CB 3.72Å; V224-K228 HydrophobicContact CG1-CD 4.23Å; V224-K228 HydrophobicContact CG1-CG 4.12Å; P225-K228 HydrophobicContact CG-CB 4.19Å; P225-K228 WeakPolarHBondContact O-CB 3.47Å; P225-K228 PolarHBondContact O-N 3.23Å; L226-K228 VanDerWaalsContact C-N 3.27Å; L226-K228 PolarHBondContact O-N 3.25Å; K228-S231 PolarHBondContact O-N 3.39Å; K228-S231 PolarHBondContact O-OG 2.85Å; K228-W232 PolarHBondContact O-N 3.4Å
229	I	71.5	Confident	62.9	Low	55 Å²	55	94.4 Å²	94.4	28%	0.282	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-40.2	171.7	-58	173.6	0	0	0	111.2	V224 P225 L226 R233	V224-I229 HydrophobicContact CG1-CG1 3.92Å; P225-I229 PolarHBondContact O-N 3.22Å; L226-I229 WeakPolarHBondContact O-CB 3.48Å; L226-I229 PolarHBondContact O-N 2.96Å; I229-R233 WeakPolarHBondContact O-CG 3.46Å; I229-R233 PolarHBondContact O-N 3.5Å; I229-R233 VanDerWaalsContact O-N 3.07Å
230	Q	72.7	Confident	64.1	Low	113 Å²	113	93.6 Å²	93.6	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-40.1	175.3	-71	-168	21.7	0	0	111.9	L226 D227 W232 R233 A234	L226-Q230 HydrophobicContact CG-CG 4.4Å; L226-Q230 WeakPolarHBondContact O-CG 3.24Å; L226-Q230 PolarHBondContact O-N 2.97Å; D227-Q230 PolarHBondContact O-N 3.14Å; Q230-W232 VanDerWaalsContact C-N 3.34Å; Q230-W232 PolarHBondContact O-N 3.21Å; Q230-R233 PolarHBondContact O-N 3.12Å; Q230-A234 WeakPolarHBondContact O-CB 3.48Å; Q230-A234 PolarHBondContact O-N 3.42Å
231	S	72.6	Confident	65.2	Low	56 Å²	56	91.5 Å²	91.5	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-38.8	176.8	79.2	0	0	0	0	112.4	D227 K228 A234 K235	D227-S231 WeakPolarHBondContact O-CB 3.48Å; D227-S231 PolarHBondContact O-N 3.3Å; K228-S231 PolarHBondContact O-N 3.39Å; K228-S231 PolarHBondContact O-OG 2.85Å; S231-A234 PolarHBondContact O-N 3.18Å; S231-K235 WeakPolarHBondContact O-CB 3.45Å; S231-K235 PolarHBondContact O-N 3.27Å
232	W	74	Confident	66.1	Low	50 Å²	50	93.6 Å²	93.6	19%	0.189	48%	0.477	C	S	.	.	H	α-helix	trans	-66.1	-41.6	173.6	-70.8	-16.6	0	0	0	112.3	V224 K228 Q230 K235 F236 D321 V325	V224-W232 HydrophobicContact CG1-CH2 4.46Å; V224-W232 HydrophobicContact CG1-CZ3 4.37Å; K228-W232 PolarHBondContact O-N 3.4Å; Q230-W232 VanDerWaalsContact C-N 3.34Å; Q230-W232 PolarHBondContact O-N 3.21Å; W232-K235 PolarHBondContact O-N 2.87Å; W232-F236 WeakPolarHBondContact O-CB 3.3Å; W232-F236 PolarHBondContact O-N 3.48Å; W232-D321 VanDerWaalsContact CD1-OD2 3.31Å; W232-D321 VanDerWaalsContact CE2-OD1 3.3Å; W232-D321 WeakPolarHBondContact CZ2-OD1 3.35Å; W232-D321 PolarHBondContact NE1-OD1 3.19Å; W232-D321 PolarHBondContact NE1-OD2 3.22Å; W232-V325 HydrophobicContact CB-CG2 4.4Å
233	R	66.3	Low	66.3	Low	111 Å²	111	94.9 Å²	94.9	42%	0.419	48%	0.475	S	S	.	.	H	α-helix	trans	-63.2	-40	174.2	-80	177.9	148.1	160.4	-5.8	112.5	I229 Q230 R237 E332	I229-R233 WeakPolarHBondContact O-CG 3.46Å; I229-R233 PolarHBondContact O-N 3.5Å; I229-R233 VanDerWaalsContact O-N 3.07Å; Q230-R233 PolarHBondContact O-N 3.12Å; R233-R237 WeakPolarHBondContact O-CB 3.29Å; R233-R237 PolarHBondContact O-N 2.71Å; R233-R237 VanDerWaalsContact O-N 3.1Å; R233-E332 IonicContact CZ-OE1 3.98Å; R233-E332 IonicContact CZ-OE2 3.96Å; R233-E332 IonicContact NH2-OE1 2.74Å; R233-E332 PolarHBondContact NH2-OE1 3.17Å; R233-E332 IonicContact NH2-OE2 2.75Å; R233-E332 PolarHBondContact NH2-OE2 3.41Å
234	A	71.9	Confident	66	Low	58 Å²	58	97 Å²	97	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-66.2	-45.1	176.2	0	0	0	0	0	111.5	Q230 S231 F236 R237 A238	Q230-A234 WeakPolarHBondContact O-CB 3.48Å; Q230-A234 PolarHBondContact O-N 3.42Å; S231-A234 PolarHBondContact O-N 3.18Å; A234-F236 PolarHBondContact O-N 3.33Å; A234-R237 PolarHBondContact O-N 3.26Å; A234-A238 PolarHBondContact O-N 3.08Å
235	K	73.2	Confident	65	Low	86 Å²	86	102.5 Å²	102.5	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-58.2	-45.7	173.9	-91.2	-179.2	173.9	177.6	0	112.4	S231 W232 R237 A238 I239 L318	S231-K235 WeakPolarHBondContact O-CB 3.45Å; S231-K235 PolarHBondContact O-N 3.27Å; W232-K235 PolarHBondContact O-N 2.87Å; K235-R237 VanDerWaalsContact C-N 3.3Å; K235-R237 PolarHBondContact O-N 3.03Å; K235-A238 WeakPolarHBondContact O-CB 2.84Å; K235-A238 PolarHBondContact O-N 2.88Å; K235-I239 WeakPolarHBondContact O-CG1 3.32Å; K235-I239 PolarHBondContact O-N 3.48Å; K235-L318 HydrophobicContact CD-CD2 4.25Å
236	F	64.9	Low	63.1	Low	75 Å²	75	104.7 Å²	104.7	33%	0.329	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-37.9	179.5	-161.3	-93	0	0	0	112.2	W232 A234 I239 Q240 V325	W232-F236 WeakPolarHBondContact O-CB 3.3Å; W232-F236 PolarHBondContact O-N 3.48Å; A234-F236 PolarHBondContact O-N 3.33Å; F236-I239 PolarHBondContact O-N 2.85Å; F236-Q240 HydrophobicContact CD1-CG 4.3Å; F236-Q240 HydrophobicContact CE1-CG 4.21Å; F236-Q240 WeakPolarHBondContact O-CG 3.31Å; F236-Q240 PolarHBondContact O-N 2.91Å; F236-Q240 VanDerWaalsContact O-N 3.08Å; F236-V325 HydrophobicContact CB-CG1 4.45Å; F236-V325 HydrophobicContact CD2-CB 4.37Å; F236-V325 HydrophobicContact CD2-CG1 3.5Å; F236-V325 VanDerWaalsContact CD2-CG1 3.5Å; F236-V325 HydrophobicContact CE2-CG1 3.76Å; F236-V325 HydrophobicContact CG-CG1 3.95Å; F236-V325 HydrophobicContact CZ-CG1 4.42Å
237	R	65.2	Low	61.3	Low	170 Å²	170	104.6 Å²	104.6	64%	0.642	52%	0.521	S	S	*	.	H	α-helix	trans	-67.3	-36.7	175.7	-146.9	-178.5	-72.1	162.7	-2.3	111.7	R233 A234 K235 Q241	R233-R237 WeakPolarHBondContact O-CB 3.29Å; R233-R237 PolarHBondContact O-N 2.71Å; R233-R237 VanDerWaalsContact O-N 3.1Å; A234-R237 PolarHBondContact O-N 3.26Å; K235-R237 VanDerWaalsContact C-N 3.3Å; K235-R237 PolarHBondContact O-N 3.03Å; R237-Q241 VanDerWaalsContact O-CG 3.28Å; R237-Q241 WeakPolarHBondContact O-CG 3.39Å; R237-Q241 PolarHBondContact O-N 2.98Å; R237-Q241 VanDerWaalsContact O-N 3.16Å
238	A	66.5	Low	59.5	Low	42 Å²	42	106.1 Å²	106.1	35%	0.347	53%	0.529	S	S	.	.	H	α-helix	trans	-67.5	-38.6	174.2	0	0	0	0	0	112.8	A234 K235 Q241 Q242	A234-A238 PolarHBondContact O-N 3.08Å; K235-A238 WeakPolarHBondContact O-CB 2.84Å; K235-A238 PolarHBondContact O-N 2.88Å; A238-Q241 PolarHBondContact O-N 3.39Å; A238-Q242 WeakPolarHBondContact O-CG 3.47Å; A238-Q242 PolarHBondContact O-N 3.21Å
239	I	65	Low	58	Low	74 Å²	74	107.5 Å²	107.5	38%	0.379	55%	0.547	S	S	.	.	H	α-helix	trans	-66.6	-40.5	176.2	-66	165.4	0	0	0	111.3	K235 F236 Q241 Q242 R243 L318	K235-I239 WeakPolarHBondContact O-CG1 3.32Å; K235-I239 PolarHBondContact O-N 3.48Å; F236-I239 PolarHBondContact O-N 2.85Å; I239-Q241 VanDerWaalsContact C-N 3.26Å; I239-Q241 PolarHBondContact O-N 3.35Å; I239-Q242 PolarHBondContact O-N 2.93Å; I239-R243 PolarHBondContact O-N 2.86Å; I239-R243 VanDerWaalsContact O-N 3.08Å; I239-L318 HydrophobicContact CD1-CD2 3.77Å
240	Q	61.3	Low	56.2	Low	98 Å²	98	112.1 Å²	112.1	46%	0.458	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-37.8	173.2	-77.1	-83.5	-49.3	0	0	111.6	F236 I244	F236-Q240 HydrophobicContact CD1-CG 4.3Å; F236-Q240 HydrophobicContact CE1-CG 4.21Å; F236-Q240 WeakPolarHBondContact O-CG 3.31Å; F236-Q240 PolarHBondContact O-N 2.91Å; F236-Q240 VanDerWaalsContact O-N 3.08Å; Q240-I244 VanDerWaalsContact O-CD1 3.27Å; Q240-I244 WeakPolarHBondContact O-CD1 3.4Å; Q240-I244 VanDerWaalsContact O-CG1 3.28Å; Q240-I244 WeakPolarHBondContact O-CG1 3.35Å
241	Q	60.7	Low	54.6	Low	112 Å²	112	115.9 Å²	115.9	52%	0.523	59%	0.59	S	S	.	*	H	α-helix	trans	-73	-28	177	-70.8	169.5	-10.5	0	0	113.5	R237 A238 I239	R237-Q241 VanDerWaalsContact O-CG 3.28Å; R237-Q241 WeakPolarHBondContact O-CG 3.39Å; R237-Q241 PolarHBondContact O-N 2.98Å; R237-Q241 VanDerWaalsContact O-N 3.16Å; A238-Q241 PolarHBondContact O-N 3.39Å; I239-Q241 VanDerWaalsContact C-N 3.26Å; I239-Q241 PolarHBondContact O-N 3.35Å
242	Q	56.3	Low	52.8	Low	144 Å²	144	117.5 Å²	117.5	67%	0.673	61%	0.607	S	S	*	*	H	α-helix	trans	-77.3	-29.9	175.1	-73.3	179.3	-4.2	0	0	112.6	A238 I239 I244	A238-Q242 WeakPolarHBondContact O-CG 3.47Å; A238-Q242 PolarHBondContact O-N 3.21Å; I239-Q242 PolarHBondContact O-N 2.93Å; Q242-I244 VanDerWaalsContact C-N 3.28Å; Q242-I244 PolarHBondContact O-N 3.01Å
243	R	50.3	Low	50.9	Low	208 Å²	208	122.4 Å²	122.4	79%	0.785	64%	0.636	S	S	*	*	H	α-helix	trans	-75.9	-15.7	178.8	-150.4	176.3	-159.4	173.2	6	113.8	I239	I239-R243 PolarHBondContact O-N 2.86Å; I239-R243 VanDerWaalsContact O-N 3.08Å
244	I	45.3	Very low	49.5	Very low	137 Å²	137	125.5 Å²	125.5	70%	0.703	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-6.8	-179.7	-62.1	166.5	0	0	0	111.5	Q240 Q242	Q240-I244 VanDerWaalsContact O-CD1 3.27Å; Q240-I244 WeakPolarHBondContact O-CD1 3.4Å; Q240-I244 VanDerWaalsContact O-CG1 3.28Å; Q240-I244 WeakPolarHBondContact O-CG1 3.35Å; Q242-I244 VanDerWaalsContact C-N 3.28Å; Q242-I244 PolarHBondContact O-N 3.01Å
245	K	41.1	Very low	47.5	Very low	168 Å²	168	129.1 Å²	129.1	73%	0.73	67%	0.671	S	S	*	*	S	Bend	trans	-100.7	15.9	-174	-80	-173.7	174.2	-172.9	0	116.1
246	T	36.6	Very low	45.7	Very low	125 Å²	125	130.3 Å²	130.3	77%	0.767	69%	0.687	S	S	*	*	S	Bend	trans	-127.7	100.5	174.6	45.4	0	0	0	0	110
247	G	30.2	Very low	44.1	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	71%	0.709	S	S	*	*			trans	148.5	75.2	169.1	0	0	0	0	0	113.1
248	D	34.1	Very low	42.5	Very low	154 Å²	154	130.3 Å²	130.3	82%	0.824	71%	0.713	S	S	*	*			trans	-155.5	94.1	161.8	-117.5	-7.4	0	0	0	108.7
249	T	38.1	Very low	40.9	Very low	148 Å²	148	134.8 Å²	134.8	91%	0.908	73%	0.731	S	S	*	*			trans	-168.9	109	145.6	-3.4	0	0	0	0	110.3
250	D	35	Very low	39.4	Very low	151 Å²	151	141.7 Å²	141.7	81%	0.807	75%	0.753	S	S	*	*			trans	-65.1	134.3	167.1	-69.7	-50.9	0	0	0	111.8
251	Q	38.3	Very low	38.2	Very low	192 Å²	192	142 Å²	142	90%	0.897	76%	0.764	S	S	*	*			trans	-146.4	107.5	146.9	-75.9	-162.5	34.8	0	0	111.3
252	A	34.1	Very low	37	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	77%	0.773	S	S	*	*			trans	35.2	121.4	134.9	0	0	0	0	0	121.7
253	L	35.2	Very low	36.2	Very low	153 Å²	153	142.2 Å²	142.2	80%	0.801	78%	0.776	S	S	*	*				55.3	124.7	128.1	-110.2	81	0	0	0	121.3
254	E	36	Very low	35.5	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.822	78%	0.775	S	S	*	*			trans	87.5	113.2	150	-52.9	-158.6	173.7	0	0	120.1
255	V	30.4	Very low	35	Very low	134 Å²	134	137 Å²	137	81%	0.812	78%	0.778	S	S	*	*			trans	-97	143.9	158	-159.1	0	0	0	0	103.4
256	P	34.9	Very low	34.8	Very low	110 Å²	110	135.7 Å²	135.7	71%	0.714	78%	0.779	S	S	*	*				-158.4	174.7	52.8	39.6	-14.8	0	0	0	119.8
257	V	32.5	Very low	34.8	Very low	130 Å²	130	137 Å²	137	79%	0.788	78%	0.779	S	S	*	*			trans	90.4	125.3	154.7	-161.9	0	0	0	0	118.3
258	T	30.4	Very low	35	Very low	116 Å²	116	136.7 Å²	136.7	71%	0.712	78%	0.776	S	S	*	*			trans	-58.3	132.8	173.8	50.4	0	0	0	0	114.8
259	N	33.3	Very low	35	Very low	136 Å²	136	137 Å²	137	73%	0.727	78%	0.776	S	S	*	*				176.6	120.6	118.3	-100	-9.5	0	0	0	113.2
260	Y	33.3	Very low	34.8	Very low	218 Å²	218	134.4 Å²	134.4	86%	0.855	76%	0.764	S	S	*	*			trans	38.2	149.8	146.5	-68.3	-82.6	0	0	0	124.7
261	P	36.8	Very low	34.8	Very low	104 Å²	104	132.5 Å²	132.5	68%	0.675	76%	0.758	S	S	*	*			trans	-107.1	174.1	-147.8	42.3	-35.8	0	0	0	113.8
262	S	34.4	Very low	34.5	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	75%	0.754	S	S	*	*				171.6	139.5	125.8	-74.6	0	0	0	0	113.5
263	Q	39.9	Very low	34.5	Very low	159 Å²	159	131.3 Å²	131.3	74%	0.743	75%	0.753	S	S	*	*			trans	66.2	143.4	147.2	-75.3	-174	-32.7	0	0	119.8
264	E	36.7	Very low	34.5	Very low	163 Å²	163	128.7 Å²	128.7	76%	0.762	75%	0.748	S	S	*	*			cis	-173.9	147.1	-6	-124.8	166.9	-150.4	0	0	107
265	G	34.7	Very low	34.4	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	75%	0.747	S	S	*	*			trans	73.5	150.3	149.7	0	0	0	0	0	120.1
266	D	36.2	Very low	34.6	Very low	140 Å²	140	128.8 Å²	128.8	75%	0.749	75%	0.748	S	S	*	*			cis	-176	152.7	-10.1	-143.1	-1.2	0	0	0	107.8
267	I	37	Very low	34.5	Very low	153 Å²	153	127.4 Å²	127.4	79%	0.785	75%	0.746	S	S	*	*			trans	61.8	134.4	151	-47.8	147.6	0	0	0	118.6
268	G	33.9	Very low	34.7	Very low	66 Å²	66	133.4 Å²	133.4	68%	0.68	75%	0.754	S	S	*	*			cis	162.2	157.8	3.4	0	0	0	0	0	112.1
269	L	33.5	Very low	34.7	Very low	161 Å²	161	135.1 Å²	135.1	84%	0.843	76%	0.759	S	S	*	*			trans	85.7	125.3	134.4	-133.4	78.3	0	0	0	123.1
270	S	34.9	Very low	34.9	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	76%	0.76	S	S	*	*			trans	72.1	144.8	134.8	44.3	0	0	0	0	119.9
271	T	34.1	Very low	34.8	Very low	111 Å²	111	134.5 Å²	134.5	68%	0.681	76%	0.762	S	S	*	*			cis	-177.8	140.9	6.7	-95.9	0	0	0	0	108.4
272	L	32.8	Very low	34.6	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	77%	0.767	S	S	*	*			trans	31.2	142	143	-47.9	169.6	0	0	0	119.4
273	S	34.1	Very low	34.6	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	77%	0.77	S	S	*	*				174.4	152	60.4	-42.5	0	0	0	0	112.3
274	S	35.5	Very low	34.2	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	77%	0.771	S	S	*	*			trans	68.8	108.5	138.2	-138.5	0	0	0	0	120.6
275	L	34.1	Very low	34.2	Very low	155 Å²	155	135.4 Å²	135.4	81%	0.812	78%	0.778	S	S	*	*				56.2	118.4	91.7	-60.5	160.9	0	0	0	114
276	D	32.8	Very low	34	Very low	157 Å²	157	136.6 Å²	136.6	84%	0.84	78%	0.775	S	S	*	*				-177.3	160.9	85.7	-127.8	-28.4	0	0	0	113.2
277	A	33.6	Very low	34	Very low	80 Å²	80	137.6 Å²	137.6	66%	0.661	78%	0.778	S	S	*	*			trans	-73.9	157.2	-172.8	0	0	0	0	0	115.4
278	R	37.2	Very low	33.9	Very low	256 Å²	256	136 Å²	136	97%	0.966	78%	0.776	S	S	*	*			trans	-172.5	139.2	130.5	-102.1	161.2	-174.3	-177.2	3	114.7
279	D	30.3	Very low	34	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	78%	0.784	S	S	*	*			trans	-66.1	155.6	-179.8	-143.5	-16.8	0	0	0	113.7
280	S	37.2	Very low	33.8	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	78%	0.781	S	S	*	*			trans	150.6	104.9	137.4	-65.9	0	0	0	0	115.6
281	R	31.5	Very low	33.7	Very low	234 Å²	234	134.1 Å²	134.1	88%	0.883	79%	0.786	S	S	*	*				55.9	121.6	126.8	-80.9	-170.2	168.9	169	-2.1	123.9
282	V	31.7	Very low	33.6	Very low	130 Å²	130	138.5 Å²	138.5	79%	0.788	80%	0.799	S	S	*	*				83.5	118.7	126	-175.9	0	0	0	0	119.4
283	G	34.9	Very low	33.9	Very low	76 Å²	76	136.6 Å²	136.6	78%	0.784	80%	0.798	S	S	*	*			trans	-168.2	106.1	161.5	0	0	0	0	0	112.2
284	L	32.3	Very low	34	Very low	146 Å²	146	140.8 Å²	140.8	76%	0.764	81%	0.806	S	S	*	*			trans	-53.9	151	172.5	-109.4	66	0	0	0	112.9
285	H	36.7	Very low	33.9	Very low	195 Å²	195	141.1 Å²	141.1	90%	0.903	81%	0.809	S	S	*	*				-173.7	142.1	116.8	-91.6	-67.9	0	0	0	112
286	S	29.8	Very low	34	Very low	99 Å²	99	141.2 Å²	141.2	69%	0.692	81%	0.808	S	S	*	*			trans	-87.1	153.9	-170.5	172.4	0	0	0	0	112.9
287	I	35.6	Very low	34.1	Very low	160 Å²	160	140.5 Å²	140.5	82%	0.821	80%	0.803	S	S	*	*				169	129.9	119.1	-79.5	154.3	0	0	0	110
288	V	34.6	Very low	34.1	Very low	121 Å²	121	147 Å²	147	73%	0.733	81%	0.81	S	S	*	*			trans	-105	154.9	179.8	-168.3	0	0	0	0	108.4
289	P	36.2	Very low	34.2	Very low	131 Å²	131	142.3 Å²	142.3	85%	0.851	80%	0.803	S	S	*	*				-143.1	161.1	85.6	31.2	-10.5	0	0	0	111.8
290	G	30.4	Very low	34.5	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	80%	0.796	S	S	*	*			cis	157.8	121.9	14.8	0	0	0	0	0	104.9
291	G	32.8	Very low	34.3	Very low	73 Å²	73	143.6 Å²	143.6	75%	0.753	80%	0.801	S	S	*	*			trans	170.3	83.8	-175	0	0	0	0	0	110.9	S293	G291-S293 PolarHBondContact O-N 3.23Å
292	E	30.7	Very low	34.6	Very low	203 Å²	203	136.7 Å²	136.7	95%	0.949	79%	0.789	S	S	*	*			trans	-69.5	112.1	-176.1	-69.6	-177.5	148.3	0	0	111.5
293	S	39.3	Very low	34.8	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	78%	0.782	S	S	*	*			trans	-117.3	115.7	161	-68.3	0	0	0	0	107.6	G291 S295	G291-S293 PolarHBondContact O-N 3.23Å; S293-S295 PolarHBondContact O-N 3.39Å
294	Q	37.8	Very low	34.7	Very low	193 Å²	193	141.6 Å²	141.6	90%	0.902	79%	0.79	S	S	*	*			trans	-58.7	120	179.2	-68.3	-179.4	-1.2	0	0	110.6	I296	Q294-I296 PolarHBondContact O-N 3.17Å
295	S	32.7	Very low	34.6	Very low	107 Å²	107	138 Å²	138	75%	0.748	79%	0.788	S	S	*	*			trans	-76.3	109.2	174.6	45.7	0	0	0	0	110.3	S293 I297	S293-S295 PolarHBondContact O-N 3.39Å; S295-I297 PolarHBondContact O-N 2.65Å
296	I	35.6	Very low	34.4	Very low	156 Å²	156	137 Å²	137	80%	0.8	78%	0.784	S	S	*	*			trans	-72.6	109.4	161.4	-68.7	173.1	0	0	0	106.9	Q294 R298	Q294-I296 PolarHBondContact O-N 3.17Å; I296-R298 PolarHBondContact O-N 3.26Å; I296-R298 VanDerWaalsContact O-N 3.07Å
297	I	34.8	Very low	34.4	Very low	142 Å²	142	139.8 Å²	139.8	73%	0.728	79%	0.79	S	S	*	*			trans	-57.6	110.1	174.6	-59.7	170.6	0	0	0	108.4	S295 I299	S295-I297 PolarHBondContact O-N 2.65Å; I297-I299 HydrophobicContact CG2-CG1 3.97Å; I297-I299 PolarHBondContact O-N 3.5Å
298	R	35	Very low	34.4	Very low	217 Å²	217	142.6 Å²	142.6	82%	0.819	79%	0.792	S	S	*	*			trans	-78.7	109.8	166.1	-66.4	-174.8	-178.5	170.1	0.3	107.1	I296 D300	I296-R298 PolarHBondContact O-N 3.26Å; I296-R298 VanDerWaalsContact O-N 3.07Å; R298-D300 PolarHBondContact O-N 3.49Å
299	I	37.7	Very low	34.2	Very low	158 Å²	158	142.9 Å²	142.9	81%	0.81	80%	0.799	S	S	*	*			trans	-85.9	93.6	169.3	-55.6	178.8	0	0	0	106.1	I297	I297-I299 HydrophobicContact CG2-CG1 3.97Å; I297-I299 PolarHBondContact O-N 3.5Å
300	D	36.3	Very low	33.9	Very low	126 Å²	126	139.2 Å²	139.2	67%	0.674	79%	0.785	S	S	*	*			trans	-68.3	129.9	172.5	-79.4	-35.2	0	0	0	110.5	R298 S302	R298-D300 PolarHBondContact O-N 3.49Å; D300-S302 PolarHBondContact O-N 3.42Å
301	D	34.6	Very low	33.9	Very low	160 Å²	160	139.7 Å²	139.7	86%	0.856	78%	0.777	S	S	*	*			trans	-92.3	68.5	175.2	-145.1	0.2	0	0	0	108.1
302	S	37.8	Very low	34.4	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	78%	0.78	S	S	*	*			trans	-108.3	99.1	179.4	50.1	0	0	0	0	112.6	D300	D300-S302 PolarHBondContact O-N 3.42Å
303	T	35.3	Very low	34.9	Very low	104 Å²	104	139.9 Å²	139.9	64%	0.638	77%	0.771	S	S	*	*			trans	48.9	121.9	142.7	59.2	0	0	0	0	121.4
304	H	33.4	Very low	34.8	Very low	206 Å²	206	138.9 Å²	138.9	95%	0.954	76%	0.757	S	S	*	*			trans	-108.7	116.5	141.1	-102	35.3	0	0	0	108.6
305	G	30.3	Very low	34.7	Very low	71 Å²	71	139 Å²	139	73%	0.732	75%	0.748	S	S	*	*			trans	-98.2	142.8	174.1	0	0	0	0	0	111.1
306	Q	32.4	Very low	35	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	74%	0.743	S	S	*	*			trans	-142	123.8	160.1	-104.3	-86.3	-34.5	0	0	107.3
307	L	28.9	Very low	35.5	Very low	157 Å²	157	133.6 Å²	133.6	82%	0.822	73%	0.73	S	S	*	*			trans	-72.2	137.1	-177.1	-75.9	114.1	0	0	0	111
308	Y	35	Very low	35.9	Very low	220 Å²	220	129.6 Å²	129.6	86%	0.863	71%	0.709	S	S	*	*			trans	-140.6	114.6	145	-87.1	-77.6	0	0	0	110.3
309	S	31	Very low	36.4	Very low	126 Å²	126	125.5 Å²	125.5	88%	0.881	70%	0.701	S	S	*	*			trans	-66.4	134.8	166.1	178.2	0	0	0	0	109.4
310	G	29.2	Very low	37	Very low	54 Å²	54	121.4 Å²	121.4	56%	0.557	69%	0.691	S	S	*	*			trans	154.4	108.7	169.2	0	0	0	0	0	116.4
311	S	32	Very low	38.1	Very low	87 Å²	87	117.4 Å²	117.4	61%	0.608	67%	0.669	S	S	*	*			trans	83.2	112.9	149.4	82.3	0	0	0	0	119.3	L313 L314	S311-L313 PolarHBondContact O-N 3.32Å; S311-L314 PolarHBondContact O-N 3.45Å
312	T	42.4	Very low	39.5	Very low	136 Å²	136	113.4 Å²	113.4	83%	0.834	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	-10	169.4	-41	0	0	0	0	114.8
313	L	40.7	Very low	40.8	Very low	144 Å²	144	112.3 Å²	112.3	75%	0.754	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-26.4	-179.3	-106.4	159	0	0	0	114	S311 R315	S311-L313 PolarHBondContact O-N 3.32Å; L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 3.15Å
314	L	37	Very low	42.4	Very low	91 Å²	91	109.6 Å²	109.6	48%	0.476	63%	0.626	S	S	.	*	H	α-helix	trans	-72.1	-23.2	178.6	-77.7	174.2	0	0	0	113.1	S311 A316 S317 L318	S311-L314 PolarHBondContact O-N 3.45Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.64Å; L314-S317 PolarHBondContact O-N 3.34Å; L314-L318 HydrophobicContact CB-CD1 4.13Å; L314-L318 VanDerWaalsContact O-CB 3.28Å; L314-L318 WeakPolarHBondContact O-CB 3.36Å; L314-L318 VanDerWaalsContact O-CD1 3.27Å; L314-L318 WeakPolarHBondContact O-CD1 3.3Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 2.95Å; L314-L318 PolarHBondContact O-N 3.36Å
315	R	36.7	Very low	44	Very low	194 Å²	194	100.6 Å²	100.6	73%	0.732	59%	0.586	S	S	*	*	H	α-helix	trans	-67.9	-30.9	-175.6	-152.4	170.3	-154.8	138.3	3.9	112.8	L313 M319	L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 3.15Å; R315-M319 WeakPolarHBondContact O-CG 3.3Å
316	A	39.7	Very low	45.9	Very low	77 Å²	77	103.8 Å²	103.8	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-76.3	-36.7	174.5	0	0	0	0	0	112.4	L314 L318	L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.64Å; A316-L318 VanDerWaalsContact C-N 3.34Å
317	S	44.9	Very low	47.8	Very low	74 Å²	74	98.1 Å²	98.1	52%	0.517	56%	0.558	S	S	.	*	H	α-helix	trans	-72.2	-25.5	171.9	-81.4	0	0	0	0	113.3	L314	L314-S317 PolarHBondContact O-N 3.34Å
318	L	43.8	Very low	49.7	Very low	58 Å²	58	94.2 Å²	94.2	30%	0.304	54%	0.537	S	S	.	.	H	α-helix	trans	-74.3	-22.2	178.3	-88	153.9	0	0	0	113.6	K235 I239 L314 A316	K235-L318 HydrophobicContact CD-CD2 4.25Å; I239-L318 HydrophobicContact CD1-CD2 3.77Å; L314-L318 HydrophobicContact CB-CD1 4.13Å; L314-L318 VanDerWaalsContact O-CB 3.28Å; L314-L318 WeakPolarHBondContact O-CB 3.36Å; L314-L318 VanDerWaalsContact O-CD1 3.27Å; L314-L318 WeakPolarHBondContact O-CD1 3.3Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 2.95Å; L314-L318 PolarHBondContact O-N 3.36Å; A316-L318 VanDerWaalsContact C-N 3.34Å
319	M	45.7	Very low	51.4	Low	130 Å²	130	87.9 Å²	87.9	64%	0.64	52%	0.521	S	S	*	.	H	α-helix	trans	-82	-25	177.7	-71.8	-81.5	145.5	0	0	112.6	R315 D321	R315-M319 WeakPolarHBondContact O-CG 3.3Å; M319-D321 PolarHBondContact O-N 3.23Å
320	A	50.3	Low	53.3	Low	73 Å²	73	86.1 Å²	86.1	60%	0.603	52%	0.515	S	S	*	.	H	α-helix	trans	-71.9	-26.8	-179.3	0	0	0	0	0	113.4
321	D	58.3	Low	55.5	Low	41 Å²	41	94.4 Å²	94.4	22%	0.219	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.3	-176.2	-84	-28.3	0	0	0	114.3	W232 M319 P324 V325	W232-D321 VanDerWaalsContact CD1-OD2 3.31Å; W232-D321 VanDerWaalsContact CE2-OD1 3.3Å; W232-D321 WeakPolarHBondContact CZ2-OD1 3.35Å; W232-D321 PolarHBondContact NE1-OD1 3.19Å; W232-D321 PolarHBondContact NE1-OD2 3.22Å; M319-D321 PolarHBondContact O-N 3.23Å; D321-P324 WeakPolarHBondContact O-CD 3.11Å; D321-P324 WeakPolarHBondContact O-CG 3.47Å; D321-V325 VanDerWaalsContact O-CG2 3.24Å; D321-V325 WeakPolarHBondContact O-CG2 3.31Å; D321-V325 PolarHBondContact O-N 2.87Å
322	E	64.6	Low	57.6	Low	77 Å²	77	95.1 Å²	95.1	36%	0.36	52%	0.523	S	S	.	.	H	α-helix	trans	-71.1	-38.5	-176.4	-159.5	-177.1	-177.3	0	0	112.4	R326	E322-R326 VanDerWaalsContact CD-CZ 3.42Å; E322-R326 WeakPolarHBondContact O-CG 3.36Å; E322-R326 PolarHBondContact O-N 3.45Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 3.48Å; E322-R326 PolarHBondContact OE1-NE 3.24Å; E322-R326 IonicContact OE1-NH2 2.87Å; E322-R326 PolarHBondContact OE1-NH2 2.92Å; E322-R326 IonicContact OE2-CZ 3.87Å; E322-R326 IonicContact OE2-NH2 3.3Å; E322-R326 PolarHBondContact OE2-NH2 3.28Å
323	A	64.5	Low	59.4	Low	66 Å²	66	97.8 Å²	97.8	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-50.3	178.8	0	0	0	0	0	113.7	V325 R326 A327	A323-V325 PolarHBondContact O-N 3.08Å; A323-R326 PolarHBondContact O-N 2.91Å; A323-A327 PolarHBondContact O-N 3.14Å
324	P	68.7	Low	61.2	Low	46 Å²	46	100 Å²	100	30%	0.299	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-35.9	178.1	22.7	-31.9	0	0	0	112.5	D321 A327 I328	D321-P324 WeakPolarHBondContact O-CD 3.11Å; D321-P324 WeakPolarHBondContact O-CG 3.47Å; P324-A327 PolarHBondContact O-N 3.15Å; P324-I328 VanDerWaalsContact O-CG1 3.28Å; P324-I328 WeakPolarHBondContact O-CG1 3.48Å; P324-I328 PolarHBondContact O-N 3.45Å
325	V	67.7	Low	62.8	Low	18 Å²	18	105.2 Å²	105.2	11%	0.109	53%	0.529	C	S	.	.	H	α-helix	trans	-68.3	-41.3	179.1	176.1	0	0	0	0	111.8	W232 F236 D321 A323 A327 I328 V329	W232-V325 HydrophobicContact CB-CG2 4.4Å; F236-V325 HydrophobicContact CB-CG1 4.45Å; F236-V325 HydrophobicContact CD2-CB 4.37Å; F236-V325 HydrophobicContact CD2-CG1 3.5Å; F236-V325 VanDerWaalsContact CD2-CG1 3.5Å; F236-V325 HydrophobicContact CE2-CG1 3.76Å; F236-V325 HydrophobicContact CG-CG1 3.95Å; F236-V325 HydrophobicContact CZ-CG1 4.42Å; D321-V325 VanDerWaalsContact O-CG2 3.24Å; D321-V325 WeakPolarHBondContact O-CG2 3.31Å; D321-V325 PolarHBondContact O-N 2.87Å; A323-V325 PolarHBondContact O-N 3.08Å; V325-A327 VanDerWaalsContact C-N 3.32Å; V325-A327 PolarHBondContact O-N 3.17Å; V325-I328 PolarHBondContact O-N 2.95Å; V325-V329 HydrophobicContact CG1-CG2 4.33Å; V325-V329 WeakPolarHBondContact O-CG2 3.23Å; V325-V329 PolarHBondContact O-N 3.41Å
326	R	71.1	Confident	64.5	Low	138 Å²	138	105.1 Å²	105.1	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-40.5	173.7	-74.9	-168	-149.8	123.1	-11.1	112	E322 A323 I328 V329 A330	E322-R326 VanDerWaalsContact CD-CZ 3.42Å; E322-R326 WeakPolarHBondContact O-CG 3.36Å; E322-R326 PolarHBondContact O-N 3.45Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 3.48Å; E322-R326 PolarHBondContact OE1-NE 3.24Å; E322-R326 IonicContact OE1-NH2 2.87Å; E322-R326 PolarHBondContact OE1-NH2 2.92Å; E322-R326 IonicContact OE2-CZ 3.87Å; E322-R326 IonicContact OE2-NH2 3.3Å; E322-R326 PolarHBondContact OE2-NH2 3.28Å; A323-R326 PolarHBondContact O-N 2.91Å; R326-I328 VanDerWaalsContact C-N 3.34Å; R326-I328 PolarHBondContact O-N 3.47Å; R326-V329 PolarHBondContact O-N 2.9Å; R326-A330 WeakPolarHBondContact O-CB 3.47Å; R326-A330 PolarHBondContact O-N 2.89Å
327	A	71.8	Confident	66.5	Low	53 Å²	53	104.1 Å²	104.1	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-37.8	178	0	0	0	0	0	112.5	A323 P324 V325 R331	A323-A327 PolarHBondContact O-N 3.14Å; P324-A327 PolarHBondContact O-N 3.15Å; V325-A327 VanDerWaalsContact C-N 3.32Å; V325-A327 PolarHBondContact O-N 3.17Å; A327-R331 WeakPolarHBondContact O-CG 3.32Å; A327-R331 PolarHBondContact O-N 3.41Å
328	I	68.1	Low	67.9	Low	75 Å²	75	110.4 Å²	110.4	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-68.6	-49.3	176.4	-66.5	164	0	0	0	110.5	P324 V325 R326 A330 R331 E332	P324-I328 VanDerWaalsContact O-CG1 3.28Å; P324-I328 WeakPolarHBondContact O-CG1 3.48Å; P324-I328 PolarHBondContact O-N 3.45Å; V325-I328 PolarHBondContact O-N 2.95Å; R326-I328 VanDerWaalsContact C-N 3.34Å; R326-I328 PolarHBondContact O-N 3.47Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 2.88Å; I328-R331 PolarHBondContact O-N 3Å; I328-E332 VanDerWaalsContact O-CB 3.29Å; I328-E332 WeakPolarHBondContact O-CB 3.33Å; I328-E332 PolarHBondContact O-N 3.48Å
329	V	71	Confident	69.4	Low	87 Å²	87	112 Å²	112	53%	0.527	54%	0.54	S	S	.	.	H	α-helix	trans	-65.4	-35.5	-178.7	174.5	0	0	0	0	111.9	V325 R326 R331	V325-V329 HydrophobicContact CG1-CG2 4.33Å; V325-V329 WeakPolarHBondContact O-CG2 3.23Å; V325-V329 PolarHBondContact O-N 3.41Å; R326-V329 PolarHBondContact O-N 2.9Å; V329-R331 VanDerWaalsContact C-N 3.31Å; V329-R331 PolarHBondContact O-N 3.45Å
330	A	72.2	Confident	70.8	Confident	90 Å²	90	107.2 Å²	107.2	74%	0.744	52%	0.519	S	S	*	.	H	α-helix	trans	-69	-26.8	176.6	0	0	0	0	0	113.3	R326 I328	R326-A330 WeakPolarHBondContact O-CB 3.47Å; R326-A330 PolarHBondContact O-N 2.89Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 2.88Å
331	R	75.1	Confident	72.1	Confident	228 Å²	228	108.6 Å²	108.6	86%	0.86	52%	0.519	S	S	*	.	H	α-helix	trans	-96.1	-21.7	178.8	-69.8	173.6	101.3	175.1	5.4	113.4	A327 I328 V329	A327-R331 WeakPolarHBondContact O-CG 3.32Å; A327-R331 PolarHBondContact O-N 3.41Å; I328-R331 PolarHBondContact O-N 3Å; V329-R331 VanDerWaalsContact C-N 3.31Å; V329-R331 PolarHBondContact O-N 3.45Å
332	E	75.9	Confident	72.9	Confident	101 Å²	101	114.1 Å²	114.1	47%	0.472	55%	0.548	S	S	.	.			trans	-77.5	122.6	-176.7	-175.5	172.4	-155.6	0	0	112.1	R233 I328	R233-E332 IonicContact CZ-OE1 3.98Å; R233-E332 IonicContact CZ-OE2 3.96Å; R233-E332 IonicContact NH2-OE1 2.74Å; R233-E332 PolarHBondContact NH2-OE1 3.17Å; R233-E332 IonicContact NH2-OE2 2.75Å; R233-E332 PolarHBondContact NH2-OE2 3.41Å; I328-E332 VanDerWaalsContact O-CB 3.29Å; I328-E332 WeakPolarHBondContact O-CB 3.33Å; I328-E332 PolarHBondContact O-N 3.48Å
333	R	79.1	Confident	73.1	Confident	192 Å²	192	116.6 Å²	116.6	73%	0.725	56%	0.559	S	S	*	*			trans	-98.5	115.6	168.9	-74.3	-173.2	-177	172.9	2.1	110.8	W335	R333-W335 PolarHBondContact O-N 3.26Å
334	R	78.7	Confident	73.4	Confident	191 Å²	191	117.6 Å²	117.6	72%	0.721	56%	0.562	S	S	*	*			trans	-86.4	94.5	176.1	-168.9	173.2	-172.6	174.7	3.2	111.1	R336 T337	R334-R336 WeakPolarHBondContact CG-O 3.42Å; R334-R336 PolarHBondContact O-N 3.07Å; R334-T337 HydrophobicContact CG-CG2 4.36Å
335	W	70.3	Confident	73.2	Confident	200 Å²	200	123.7 Å²	123.7	76%	0.758	59%	0.587	S	S	*	*			trans	-72	-25	-177.4	-66.8	101.6	0	0	0	115.2	R333	R333-W335 PolarHBondContact O-N 3.26Å
336	R	72.8	Confident	73	Confident	193 Å²	193	124.8 Å²	124.8	73%	0.728	60%	0.602	S	S	*	*			trans	-139.1	139.9	177.4	-66.8	-172.6	176.9	96.6	0.8	111.6	R334 S340	R334-R336 WeakPolarHBondContact CG-O 3.42Å; R334-R336 PolarHBondContact O-N 3.07Å; R336-S340 WeakPolarHBondContact CA-OG 3.37Å
337	T	81	Confident	72.5	Confident	55 Å²	55	126 Å²	126	34%	0.337	61%	0.611	S	S	.	*			trans	-118.9	161.9	170.2	64.2	0	0	0	0	109.7	R334 V339 S340 V341	R334-T337 HydrophobicContact CG-CG2 4.36Å; T337-V339 PolarHBondContact O-N 2.88Å; T337-V339 VanDerWaalsContact O-N 3.16Å; T337-S340 PolarHBondContact N-OG 3.12Å; T337-S340 PolarHBondContact O-N 3.31Å; T337-S340 PolarHBondContact O-OG 3.12Å; T337-S340 PolarHBondContact OG1-N 2.95Å; T337-S340 VanDerWaalsContact OG1-N 3.12Å; T337-V341 WeakPolarHBondContact O-CG2 3.45Å; T337-V341 PolarHBondContact O-N 3.43Å; T337-V341 VanDerWaalsContact O-N 3.14Å
338	R	76.3	Confident	72	Confident	207 Å²	207	127.5 Å²	127.5	78%	0.781	62%	0.615	S	S	*	*	H	α-helix	trans	-51.6	-37.5	173.5	-75.2	179.1	165.1	147.7	-5.2	111.6	V341	R338-V341 PolarHBondContact O-N 3.13Å
339	V	74.4	Confident	72	Confident	92 Å²	92	129.4 Å²	129.4	56%	0.558	62%	0.62	S	S	*	*	H	α-helix	trans	-65.3	-45.8	175.2	-176.6	0	0	0	0	112	T337 V341 L342 Q343	T337-V339 PolarHBondContact O-N 2.88Å; T337-V339 VanDerWaalsContact O-N 3.16Å; V339-V341 PolarHBondContact O-N 3.26Å; V339-L342 PolarHBondContact O-N 2.86Å; V339-Q343 PolarHBondContact O-N 2.78Å
340	S	75.2	Confident	72	Confident	29 Å²	29	132.1 Å²	132.1	20%	0.203	62%	0.622	C	S	.	*	H	α-helix	trans	-66.3	-22.7	-179.9	72.8	0	0	0	0	114	R336 T337	R336-S340 WeakPolarHBondContact CA-OG 3.37Å; T337-S340 PolarHBondContact N-OG 3.12Å; T337-S340 PolarHBondContact O-N 3.31Å; T337-S340 PolarHBondContact O-OG 3.12Å; T337-S340 PolarHBondContact OG1-N 2.95Å; T337-S340 VanDerWaalsContact OG1-N 3.12Å
341	V	76.6	Confident	71.9	Confident	102 Å²	102	134.3 Å²	134.3	62%	0.618	62%	0.617	S	S	*	*	H	α-helix	trans	-76.6	-30	178.2	175	0	0	0	0	111	T337 R338 V339	T337-V341 WeakPolarHBondContact O-CG2 3.45Å; T337-V341 PolarHBondContact O-N 3.43Å; T337-V341 VanDerWaalsContact O-N 3.14Å; R338-V341 PolarHBondContact O-N 3.13Å; V339-V341 PolarHBondContact O-N 3.26Å
342	L	75.7	Confident	71.5	Confident	156 Å²	156	128.9 Å²	128.9	82%	0.817	61%	0.605	S	S	*	*	H	α-helix	trans	-82.6	-15.8	179.1	-63.7	173.5	0	0	0	113.3	V339	V339-L342 PolarHBondContact O-N 2.86Å
343	Q	68.5	Low	71.2	Confident	129 Å²	129	127.8 Å²	127.8	60%	0.603	60%	0.602	S	S	*	*	S	Bend	trans	-92.8	121.9	177.6	-67.7	179.7	-10.9	0	0	110.6	V339 Q345	V339-Q343 PolarHBondContact O-N 2.78Å; Q343-Q345 PolarHBondContact O-N 3.39Å
344	S	71.2	Confident	71.1	Confident	87 Å²	87	120.6 Å²	120.6	61%	0.608	58%	0.579	S	S	*	*			trans	-64.3	132.8	170.3	64	0	0	0	0	110	G346	S344-G346 PolarHBondContact O-N 3.34Å; S344-G346 VanDerWaalsContact O-N 3.11Å
345	Q	64.3	Low	71.1	Confident	174 Å²	174	114.1 Å²	114.1	81%	0.813	56%	0.559	S	S	*	*	S	Bend	trans	-65	-14	178.6	-65	-69.5	-30.2	0	0	113.5	Q343 K347	Q343-Q345 PolarHBondContact O-N 3.39Å; Q345-K347 PolarHBondContact O-N 3.43Å
346	G	63.6	Low	71.4	Confident	41 Å²	41	106 Å²	106	42%	0.423	54%	0.537	S	S	.	.			trans	-82.8	110.9	176.2	0	0	0	0	0	112	S344 T348	S344-G346 PolarHBondContact O-N 3.34Å; S344-G346 VanDerWaalsContact O-N 3.11Å; G346-T348 PolarHBondContact O-N 2.86Å
347	K	61.6	Low	71.8	Confident	165 Å²	165	101.6 Å²	101.6	72%	0.717	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	1.4	178.4	-68.7	-171.6	173.6	-168.8	0	115	G46 Q345	G46-K347 PolarHBondContact O-NZ 3.21Å; G46-K347 VanDerWaalsContact O-NZ 3.09Å; Q345-K347 PolarHBondContact O-N 3.43Å
348	T	60.2	Low	71.8	Confident	84 Å²	84	102.6 Å²	102.6	52%	0.515	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-0.9	-168.2	52.4	0	0	0	0	114.6	G346 N352	G346-T348 PolarHBondContact O-N 2.86Å; T348-N352 WeakPolarHBondContact CB-ND2 3.28Å; T348-N352 VanDerWaalsContact O-CB 3.23Å; T348-N352 WeakPolarHBondContact O-CB 3.39Å; T348-N352 PolarHBondContact O-N 2.66Å; T348-N352 VanDerWaalsContact O-N 3.12Å
349	F	67.6	Low	71.8	Confident	114 Å²	114	101 Å²	101	50%	0.5	52%	0.523	S	S	.	.	H	α-helix	trans	-68.1	-45.2	-177	-173.1	-95.3	0	0	0	112.5	I353 V354	F349-I353 HydrophobicContact CD2-CB 4.48Å; F349-I353 HydrophobicContact CD2-CD1 3.59Å; F349-I353 HydrophobicContact CE2-CB 4.38Å; F349-I353 HydrophobicContact CE2-CD1 3.65Å; F349-I353 HydrophobicContact CE2-CG2 4.27Å; F349-I353 HydrophobicContact CZ-CG2 4.28Å; F349-I353 WeakPolarHBondContact O-CB 3.31Å; F349-I353 PolarHBondContact O-N 3.4Å; F349-I353 VanDerWaalsContact O-N 3.07Å; F349-V354 HydrophobicContact CD1-CG2 3.78Å; F349-V354 HydrophobicContact CE1-CG2 3.55Å; F349-V354 HydrophobicContact CZ-CG2 4.49Å; F349-V354 PolarHBondContact O-N 3.19Å
350	Y	71.5	Confident	71.9	Confident	144 Å²	144	101.9 Å²	101.9	57%	0.565	53%	0.525	S	S	*	.	I	π-helix	trans	-66.9	-47.7	-177.4	-171.9	-97.8	0	0	0	112.1	V354 L355	Y350-V354 HydrophobicContact CD2-CB 3.92Å; Y350-V354 HydrophobicContact CD2-CG1 3.9Å; Y350-V354 HydrophobicContact CD2-CG2 4.28Å; Y350-V354 HydrophobicContact CE2-CB 4.33Å; Y350-V354 HydrophobicContact CE2-CG1 3.84Å; Y350-V354 HydrophobicContact CG-CB 4.44Å; Y350-V354 WeakPolarHBondContact O-CB 3.23Å; Y350-V354 PolarHBondContact O-N 3.07Å; Y350-L355 HydrophobicContact CD1-CD1 4.33Å; Y350-L355 HydrophobicContact CD1-CG 4.13Å; Y350-L355 HydrophobicContact CE1-CD1 4.19Å; Y350-L355 HydrophobicContact CE1-CD2 3.88Å; Y350-L355 HydrophobicContact CE1-CG 3.88Å; Y350-L355 PolarHBondContact O-N 2.68Å
351	E	69.8	Low	72.2	Confident	137 Å²	137	103.9 Å²	103.9	64%	0.64	54%	0.536	S	S	*	.	I	π-helix	trans	-71	-42.3	-178.8	-69.2	-165.8	162.5	0	0	113.5	L355	E351-L355 HydrophobicContact CB-CD1 4.48Å; E351-L355 HydrophobicContact CG-CD1 4.24Å
352	N	66.5	Low	72.4	Confident	113 Å²	113	103.2 Å²	103.2	60%	0.604	53%	0.528	S	S	*	.	I	π-helix	trans	-85.4	-29.2	-172.1	-65.7	-17	0	0	0	113.6	T348	T348-N352 WeakPolarHBondContact CB-ND2 3.28Å; T348-N352 VanDerWaalsContact O-CB 3.23Å; T348-N352 WeakPolarHBondContact O-CB 3.39Å; T348-N352 PolarHBondContact O-N 2.66Å; T348-N352 VanDerWaalsContact O-N 3.12Å
353	I	71.2	Confident	72.4	Confident	79 Å²	79	101.1 Å²	101.1	41%	0.405	52%	0.517	S	S	.	.	I	π-helix	trans	-112.3	-55.7	-173.4	-61.2	171.5	0	0	0	109.8	F349 G356 I357	F349-I353 HydrophobicContact CD2-CB 4.48Å; F349-I353 HydrophobicContact CD2-CD1 3.59Å; F349-I353 HydrophobicContact CE2-CB 4.38Å; F349-I353 HydrophobicContact CE2-CD1 3.65Å; F349-I353 HydrophobicContact CE2-CG2 4.27Å; F349-I353 HydrophobicContact CZ-CG2 4.28Å; F349-I353 WeakPolarHBondContact O-CB 3.31Å; F349-I353 PolarHBondContact O-N 3.4Å; F349-I353 VanDerWaalsContact O-N 3.07Å; I353-G356 PolarHBondContact O-N 3.26Å; I353-I357 HydrophobicContact CG2-CD1 3.74Å; I353-I357 WeakPolarHBondContact O-CB 3.35Å; I353-I357 WeakPolarHBondContact O-CD1 3.45Å; I353-I357 VanDerWaalsContact O-CG1 3.23Å; I353-I357 WeakPolarHBondContact O-CG1 3.48Å; I353-I357 PolarHBondContact O-N 2.84Å
354	V	75.4	Confident	72.8	Confident	40 Å²	40	101.7 Å²	101.7	24%	0.242	52%	0.518	C	S	.	.	I	π-helix	trans	-68.5	-49.2	-173.1	-177.4	0	0	0	0	111.6	F349 Y350 G356 I357 L358	F349-V354 HydrophobicContact CD1-CG2 3.78Å; F349-V354 HydrophobicContact CE1-CG2 3.55Å; F349-V354 HydrophobicContact CZ-CG2 4.49Å; F349-V354 PolarHBondContact O-N 3.19Å; Y350-V354 HydrophobicContact CD2-CB 3.92Å; Y350-V354 HydrophobicContact CD2-CG1 3.9Å; Y350-V354 HydrophobicContact CD2-CG2 4.28Å; Y350-V354 HydrophobicContact CE2-CB 4.33Å; Y350-V354 HydrophobicContact CE2-CG1 3.84Å; Y350-V354 HydrophobicContact CG-CB 4.44Å; Y350-V354 WeakPolarHBondContact O-CB 3.23Å; Y350-V354 PolarHBondContact O-N 3.07Å; V354-G356 VanDerWaalsContact C-N 3.34Å; V354-G356 PolarHBondContact O-N 2.91Å; V354-I357 PolarHBondContact O-N 3.23Å; V354-L358 HydrophobicContact CG1-CD1 3.65Å; V354-L358 HydrophobicContact CG1-CG 4.29Å; V354-L358 WeakPolarHBondContact O-CB 3.38Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.39Å; V354-L358 PolarHBondContact O-N 2.93Å
355	L	79.1	Confident	73.1	Confident	56 Å²	56	103.9 Å²	103.9	29%	0.293	52%	0.518	S	S	.	.	H	α-helix	trans	-65.5	-35.9	177.7	-72.7	-179.9	0	0	0	112.7	Y350 E351 R359	Y350-L355 HydrophobicContact CD1-CD1 4.33Å; Y350-L355 HydrophobicContact CD1-CG 4.13Å; Y350-L355 HydrophobicContact CE1-CD1 4.19Å; Y350-L355 HydrophobicContact CE1-CD2 3.88Å; Y350-L355 HydrophobicContact CE1-CG 3.88Å; Y350-L355 PolarHBondContact O-N 2.68Å; E351-L355 HydrophobicContact CB-CD1 4.48Å; E351-L355 HydrophobicContact CG-CD1 4.24Å; L355-R359 WeakPolarHBondContact O-CB 3.5Å; L355-R359 VanDerWaalsContact O-CG 3.3Å; L355-R359 WeakPolarHBondContact O-CG 3.48Å; L355-R359 PolarHBondContact O-N 3.45Å
356	G	77.5	Confident	73.4	Confident	30 Å²	30	100.4 Å²	100.4	31%	0.309	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-46.5	176.3	0	0	0	0	0	112.2	I353 V354 N360	I353-G356 PolarHBondContact O-N 3.26Å; V354-G356 VanDerWaalsContact C-N 3.34Å; V354-G356 PolarHBondContact O-N 2.91Å; G356-N360 PolarHBondContact O-N 2.85Å; G356-N360 VanDerWaalsContact O-N 3.15Å; G356-N360 PolarHBondContact O-ND2 3.09Å
357	I	80.9	Confident	73.4	Confident	100 Å²	100	102.6 Å²	102.6	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-48.2	176.2	-66.1	167.5	0	0	0	110.4	I353 V354 R359 N360 V361	I353-I357 HydrophobicContact CG2-CD1 3.74Å; I353-I357 WeakPolarHBondContact O-CB 3.35Å; I353-I357 WeakPolarHBondContact O-CD1 3.45Å; I353-I357 VanDerWaalsContact O-CG1 3.23Å; I353-I357 WeakPolarHBondContact O-CG1 3.48Å; I353-I357 PolarHBondContact O-N 2.84Å; V354-I357 PolarHBondContact O-N 3.23Å; I357-R359 PolarHBondContact O-N 3.39Å; I357-N360 PolarHBondContact O-N 2.78Å; I357-N360 VanDerWaalsContact O-N 3.14Å; I357-V361 HydrophobicContact CG2-CG2 4.3Å; I357-V361 WeakPolarHBondContact O-CG2 3.3Å; I357-V361 PolarHBondContact O-N 3Å
358	L	80.2	Confident	73.3	Confident	75 Å²	75	102.8 Å²	102.8	39%	0.393	52%	0.517	S	S	.	.	H	α-helix	trans	-59.8	-43.2	179.6	-75.4	169.6	0	0	0	112.1	V354 N360 V361 I362	V354-L358 HydrophobicContact CG1-CD1 3.65Å; V354-L358 HydrophobicContact CG1-CG 4.29Å; V354-L358 WeakPolarHBondContact O-CB 3.38Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.39Å; V354-L358 PolarHBondContact O-N 2.93Å; L358-N360 VanDerWaalsContact C-N 3.34Å; L358-N360 PolarHBondContact O-N 2.8Å; L358-V361 PolarHBondContact O-N 3.07Å; L358-I362 WeakPolarHBondContact O-CB 3.26Å; L358-I362 WeakPolarHBondContact O-CD1 3.36Å; L358-I362 VanDerWaalsContact O-CG1 3.23Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 3.25Å
359	R	76.9	Confident	73.2	Confident	173 Å²	173	102.4 Å²	102.4	65%	0.653	52%	0.522	S	S	*	.	H	α-helix	trans	-60.1	-43.1	174.6	-80.2	-179	-177.8	-171.5	1.8	112.2	L355 I357 V361 I362 L363	L355-R359 WeakPolarHBondContact O-CB 3.5Å; L355-R359 VanDerWaalsContact O-CG 3.3Å; L355-R359 WeakPolarHBondContact O-CG 3.48Å; L355-R359 PolarHBondContact O-N 3.45Å; I357-R359 PolarHBondContact O-N 3.39Å; R359-V361 VanDerWaalsContact C-N 3.34Å; R359-I362 PolarHBondContact O-N 3.12Å; R359-L363 WeakPolarHBondContact O-CB 3.46Å; R359-L363 VanDerWaalsContact O-CG 3.24Å; R359-L363 WeakPolarHBondContact O-CG 3.48Å; R359-L363 PolarHBondContact O-N 3.2Å
360	N	77.3	Confident	72.3	Confident	112 Å²	112	100.8 Å²	100.8	60%	0.599	53%	0.53	S	S	*	.	H	α-helix	trans	-67.8	-34.2	178.8	-74.8	-29.3	0	0	0	112.5	G356 I357 L358 K364	G356-N360 PolarHBondContact O-N 2.85Å; G356-N360 VanDerWaalsContact O-N 3.15Å; G356-N360 PolarHBondContact O-ND2 3.09Å; I357-N360 PolarHBondContact O-N 2.78Å; I357-N360 VanDerWaalsContact O-N 3.14Å; L358-N360 VanDerWaalsContact C-N 3.34Å; L358-N360 PolarHBondContact O-N 2.8Å; N360-K364 VanDerWaalsContact O-CB 3.31Å; N360-K364 WeakPolarHBondContact O-CB 3.35Å; N360-K364 PolarHBondContact O-N 3.41Å
361	V	81.3	Confident	71.4	Confident	70 Å²	70	99.7 Å²	99.7	42%	0.424	54%	0.541	S	S	.	.	H	α-helix	trans	-68.3	-48.9	174.4	173.9	0	0	0	0	110.3	I357 L358 R359 L363 K364 E365	I357-V361 HydrophobicContact CG2-CG2 4.3Å; I357-V361 WeakPolarHBondContact O-CG2 3.3Å; I357-V361 PolarHBondContact O-N 3Å; L358-V361 PolarHBondContact O-N 3.07Å; R359-V361 VanDerWaalsContact C-N 3.34Å; V361-L363 PolarHBondContact O-N 2.64Å; V361-K364 PolarHBondContact O-N 2.83Å; V361-K364 VanDerWaalsContact O-N 3.08Å; V361-E365 PolarHBondContact O-N 3.39Å
362	I	80.7	Confident	70.1	Confident	89 Å²	89	101 Å²	101	46%	0.456	55%	0.552	S	S	.	*	H	α-helix	trans	-59	-47.9	178	-67.3	164	0	0	0	110.8	L358 R359 K364 E365 D366	L358-I362 WeakPolarHBondContact O-CB 3.26Å; L358-I362 WeakPolarHBondContact O-CD1 3.36Å; L358-I362 VanDerWaalsContact O-CG1 3.23Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 3.25Å; R359-I362 PolarHBondContact O-N 3.12Å; I362-K364 PolarHBondContact O-N 3.43Å; I362-E365 PolarHBondContact O-N 3.23Å; I362-D366 WeakPolarHBondContact CG2-OD2 3.43Å; I362-D366 WeakPolarHBondContact O-CB 3.45Å; I362-D366 PolarHBondContact O-N 3.25Å
363	L	75.9	Confident	69.1	Low	112 Å²	112	100.6 Å²	100.6	59%	0.586	56%	0.564	S	S	*	*	H	α-helix	trans	-60.8	-31.3	177.5	-74.3	170	0	0	0	112.9	R359 V361 S367	R359-L363 WeakPolarHBondContact O-CB 3.46Å; R359-L363 VanDerWaalsContact O-CG 3.24Å; R359-L363 WeakPolarHBondContact O-CG 3.48Å; R359-L363 PolarHBondContact O-N 3.2Å; V361-L363 PolarHBondContact O-N 2.64Å; L363-S367 WeakPolarHBondContact O-CB 3.47Å; L363-S367 PolarHBondContact O-N 2.9Å; L363-S367 PolarHBondContact O-OG 3.37Å
364	K	77.5	Confident	67.7	Low	141 Å²	141	106.3 Å²	106.3	61%	0.613	59%	0.586	S	S	*	*	H	α-helix	trans	-78.6	-32.3	178.2	-170.6	171	179.7	178	0	112.5	N360 V361 I362 S367	N360-K364 VanDerWaalsContact O-CB 3.31Å; N360-K364 WeakPolarHBondContact O-CB 3.35Å; N360-K364 PolarHBondContact O-N 3.41Å; V361-K364 PolarHBondContact O-N 2.83Å; V361-K364 VanDerWaalsContact O-N 3.08Å; I362-K364 PolarHBondContact O-N 3.43Å; K364-S367 WeakPolarHBondContact CA-OG 3.26Å; K364-S367 PolarHBondContact O-OG 3.03Å
365	E	76.9	Confident	66.2	Low	132 Å²	132	108.8 Å²	108.8	62%	0.617	61%	0.611	S	S	*	*	H	α-helix	trans	-73.2	-42.4	172.2	-74.4	-178.6	161.2	0	0	111.4	V361 I362 S367 H368	V361-E365 PolarHBondContact O-N 3.39Å; I362-E365 PolarHBondContact O-N 3.23Å; E365-S367 VanDerWaalsContact C-N 3.31Å; E365-S367 PolarHBondContact O-N 3.15Å; E365-H368 PolarHBondContact O-N 3.43Å; E365-H368 VanDerWaalsContact O-N 3.15Å
366	D	71.2	Confident	64.5	Low	101 Å²	101	113 Å²	113	54%	0.54	64%	0.638	S	S	.	*	H	α-helix	trans	-65.1	-32.6	178.8	-73.1	-23.2	0	0	0	112.7	I362 H368 A369	I362-D366 WeakPolarHBondContact CG2-OD2 3.43Å; I362-D366 WeakPolarHBondContact O-CB 3.45Å; I362-D366 PolarHBondContact O-N 3.25Å; D366-H368 VanDerWaalsContact C-N 3.27Å; D366-H368 PolarHBondContact O-N 3.45Å; D366-A369 PolarHBondContact O-N 3.3Å
367	S	62.1	Low	62.7	Low	88 Å²	88	114.7 Å²	114.7	62%	0.615	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-13.3	177.4	38.6	0	0	0	0	114	L363 K364 E365	L363-S367 WeakPolarHBondContact O-CB 3.47Å; L363-S367 PolarHBondContact O-N 2.9Å; L363-S367 PolarHBondContact O-OG 3.37Å; K364-S367 WeakPolarHBondContact CA-OG 3.26Å; K364-S367 PolarHBondContact O-OG 3.03Å; E365-S367 VanDerWaalsContact C-N 3.31Å; E365-S367 PolarHBondContact O-N 3.15Å
368	H	60.5	Low	61.1	Low	169 Å²	169	118.9 Å²	118.9	78%	0.782	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-6.4	169.8	-93.9	-69.9	0	0	0	113.6	E365 D366	E365-H368 PolarHBondContact O-N 3.43Å; E365-H368 VanDerWaalsContact O-N 3.15Å; D366-H368 VanDerWaalsContact C-N 3.27Å; D366-H368 PolarHBondContact O-N 3.45Å
369	A	57.7	Low	59.2	Low	75 Å²	75	124.4 Å²	124.4	62%	0.62	69%	0.692	S	S	*	*			trans	-106.7	7	-174.5	0	0	0	0	0	114.8	D366 P371	D366-A369 PolarHBondContact O-N 3.3Å; A369-P371 WeakPolarHBondContact O-CD 3.17Å
370	A	48.5	Very low	57.2	Low	80 Å²	80	118.9 Å²	118.9	66%	0.661	69%	0.689	S	S	*	*			trans	-75.8	122.4	177.3	0	0	0	0	0	111.4
371	P	52.8	Low	55.4	Low	121 Å²	121	122.1 Å²	122.1	79%	0.786	70%	0.698	S	S	*	*			trans	-73.2	137.9	-179.8	28.7	-32.2	0	0	0	111.5	A369 A373	A369-P371 WeakPolarHBondContact O-CD 3.17Å; P371-A373 PolarHBondContact O-N 2.91Å
372	D	43.4	Very low	53.5	Low	166 Å²	166	125.5 Å²	125.5	89%	0.888	71%	0.712	S	S	*	*			trans	-53.8	105.5	175.5	-93.2	-40.6	0	0	0	111.8	K374	D372-K374 VanDerWaalsContact C-N 3.31Å; D372-K374 PolarHBondContact O-N 3.25Å
373	A	43.6	Very low	51.5	Low	103 Å²	103	126 Å²	126	85%	0.851	72%	0.724	S	S	*	*			trans	-80	76	173.9	0	0	0	0	0	110.8	P371	P371-A373 PolarHBondContact O-N 2.91Å
374	K	42	Very low	49.8	Very low	200 Å²	200	128.2 Å²	128.2	87%	0.87	74%	0.736	S	S	*	*			trans	-137.4	66.7	165.3	-77.1	-170.1	-179.5	173.5	0	111.3	D372	D372-K374 VanDerWaalsContact C-N 3.31Å; D372-K374 PolarHBondContact O-N 3.25Å
375	A	45.3	Very low	47.9	Very low	92 Å²	92	129.1 Å²	129.1	76%	0.76	75%	0.747	S	S	*	*			trans	-165.5	146.1	157.5	0	0	0	0	0	110.9
376	V	43.2	Very low	46.1	Very low	143 Å²	143	127.6 Å²	127.6	87%	0.867	76%	0.757	S	S	*	*			trans	88	87.5	166.6	-163.8	0	0	0	0	116.1
377	G	40	Very low	44.6	Very low	66 Å²	66	131.9 Å²	131.9	68%	0.68	77%	0.774	S	S	*	*			trans	-91.2	171.4	156.7	0	0	0	0	0	113
378	K	46.9	Very low	43.4	Very low	188 Å²	188	133 Å²	133	82%	0.817	78%	0.78	S	S	*	*			trans	71.7	107.1	173	-64.5	174.6	172.4	176.1	0	113.2
379	F	39.1	Very low	42.4	Very low	192 Å²	192	131.8 Å²	131.8	84%	0.842	78%	0.784	S	S	*	*				-166.2	145.2	68.1	-101	-87.1	0	0	0	111.6
380	G	36.2	Very low	41.5	Very low	57 Å²	57	135.5 Å²	135.5	59%	0.588	79%	0.793	S	S	*	*			trans	-69.1	169.2	174.2	0	0	0	0	0	113.1
381	F	39.8	Very low	40.9	Very low	180 Å²	180	141.3 Å²	141.3	79%	0.789	80%	0.803	S	S	*	*				-169.8	147.7	64.2	-91.8	-81.5	0	0	0	113.1
382	I	39.7	Very low	40.2	Very low	141 Å²	141	141.4 Å²	141.4	72%	0.723	80%	0.804	S	S	*	*			trans	72.2	99	141.5	-59.5	162.2	0	0	0	117
383	S	38.9	Very low	40.1	Very low	100 Å²	100	141.8 Å²	141.8	70%	0.699	80%	0.8	S	S	*	*				89.2	112.4	75	-80	0	0	0	0	114.3
384	N	39.9	Very low	39.9	Very low	157 Å²	157	142.6 Å²	142.6	84%	0.84	80%	0.797	S	S	*	*				-172.5	110.9	109.3	-93.7	-15	0	0	0	113.2
385	N	37.5	Very low	39.7	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	80%	0.796	S	S	*	*				61.5	95.2	129.5	-134.6	15.4	0	0	0	120.8
386	A	41	Very low	39.2	Very low	100 Å²	100	141.4 Å²	141.4	83%	0.826	80%	0.801	S	S	*	*			trans	-150	120.3	146	0	0	0	0	0	109.6
387	Q	38.2	Very low	38.9	Very low	191 Å²	191	140.2 Å²	140.2	89%	0.893	79%	0.793	S	S	*	*			trans	-80.7	138.1	179.6	-141.8	-175	-1	0	0	110.4
388	P	37	Very low	38.5	Very low	112 Å²	112	140.1 Å²	140.1	73%	0.727	79%	0.792	S	S	*	*			trans	-106.1	141.4	-173.4	36.7	-28.7	0	0	0	113.3
389	T	40.6	Very low	38.1	Very low	142 Å²	142	135.7 Å²	135.7	87%	0.871	78%	0.782	S	S	*	*			trans	-136	89.3	158.4	56.2	0	0	0	0	111.1
390	L	37	Very low	37.7	Very low	154 Å²	154	135.8 Å²	135.8	81%	0.806	78%	0.778	S	S	*	*			trans	20.1	110.6	132.9	-127.2	73.7	0	0	0	119
391	F	36.8	Very low	37.5	Very low	201 Å²	201	144.5 Å²	144.5	88%	0.882	79%	0.794	S	S	*	*				-171.7	122.3	119.8	-99.2	-71.9	0	0	0	108.9
392	P	38.2	Very low	37	Very low	123 Å²	123	141.2 Å²	141.2	80%	0.799	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-89.5	128.9	-169.6	32.6	-30.9	0	0	0	113.3
393	Q	41.6	Very low	36.7	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-90.3	142.8	161.1	-73.4	-93.8	11	0	0	109	L395	Q393-L395 PolarHBondContact O-N 3.37Å
394	P	40	Very low	36.2	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.3	124.3	-177.5	28.2	-32.1	0	0	0	111.6
395	L	36.5	Very low	35.6	Very low	163 Å²	163	145.8 Å²	145.8	85%	0.853	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.2	125	176	-75.4	158.9	0	0	0	111.3	Q393	Q393-L395 PolarHBondContact O-N 3.37Å
396	A	34.6	Very low	35.4	Very low	104 Å²	104	141.9 Å²	141.9	86%	0.86	81%	0.807	S	S	*	*			trans	-80.5	111.3	161.2	0	0	0	0	0	108.7
397	V	36.6	Very low	34.9	Very low	118 Å²	118	142.4 Å²	142.4	72%	0.715	80%	0.8	S	S	*	*			trans	-107.8	109.3	168.2	177.3	0	0	0	0	107.7	T399	V397-T399 HydrophobicContact CG1-CG2 3.91Å
398	G	32.8	Very low	34.7	Very low	64 Å²	64	139.7 Å²	139.7	66%	0.66	80%	0.796	S	S	*	*			trans	-111.2	111.8	162.1	0	0	0	0	0	107.7
399	T	38.3	Very low	34.3	Very low	96 Å²	96	140.4 Å²	140.4	59%	0.589	79%	0.794	S	S	*	*			trans	-116	105.7	171.9	49.9	0	0	0	0	110.2	V397	V397-T399 HydrophobicContact CG1-CG2 3.91Å
400	Y	30.7	Very low	33.8	Very low	193 Å²	193	144.5 Å²	144.5	76%	0.757	80%	0.795	S	S	*	*			trans	31.8	118.1	137.1	-28	-72.5	0	0	0	119.4
401	Y	31.9	Very low	33.4	Very low	240 Å²	240	143 Å²	143	94%	0.941	79%	0.793	S	S	*	*			trans	-144.6	120.4	136.3	-83.7	-74.8	0	0	0	110.4
402	S	29.4	Very low	33.3	Very low	111 Å²	111	141 Å²	141	78%	0.776	79%	0.791	S	S	*	*			trans	-91.3	145.5	176	-60.3	0	0	0	0	111.2
403	K	32.4	Very low	33	Very low	205 Å²	205	141.1 Å²	141.1	89%	0.891	79%	0.79	S	S	*	*			trans	175.7	158	151.7	-105	172.3	-171.5	-177.7	0	111.5
404	P	30.2	Very low	32.6	Very low	122 Å²	122	136.3 Å²	136.3	79%	0.792	79%	0.787	S	S	*	*				-121.2	169.5	-76	27.4	-6	0	0	0	113
405	N	27.2	Very low	32.3	Very low	167 Å²	167	136.3 Å²	136.3	89%	0.893	79%	0.79	S	S	*	*			trans	-60.1	146.5	-179.1	-76.7	-22.8	0	0	0	115
406	G	32.5	Very low	32	Very low	79 Å²	79	132.9 Å²	132.9	81%	0.814	79%	0.785	S	S	*	*			trans	-168.8	85.9	169.6	0	0	0	0	0	110.9
407	T	29.6	Very low	32.1	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	79%	0.785	S	S	*	*			trans	-78.4	137.7	-178.1	-45.3	0	0	0	0	111.2
408	T	34.1	Very low	31.7	Very low	133 Å²	133	135 Å²	135	82%	0.816	79%	0.788	S	S	*	*			trans	-163.7	128.2	140.7	6.5	0	0	0	0	111.9
409	N	28.7	Very low	31.7	Very low	128 Å²	128	139 Å²	139	68%	0.684	79%	0.793	S	S	*	*			trans	-81.3	146.7	-180	-66.1	-45.1	0	0	0	111
410	Y	30.9	Very low	31.3	Very low	227 Å²	227	139.4 Å²	139.4	89%	0.89	80%	0.8	S	S	*	*			trans	-140.6	114.1	141.2	-78.4	-71.9	0	0	0	110.7
411	T	29.7	Very low	31.5	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	80%	0.802	S	S	*	*			trans	-64.6	140.6	163.9	49	0	0	0	0	110.4
412	N	32.9	Very low	31.5	Very low	160 Å²	160	128.1 Å²	128.1	86%	0.856	79%	0.788	S	S	*	*			trans	-144.8	116.9	142.7	-145.5	-2.8	0	0	0	112
413	T	32.2	Very low	31.6	Very low	125 Å²	125	132 Å²	132	77%	0.767	79%	0.794	S	S	*	*			trans	-75	145	170.7	45.8	0	0	0	0	110.6
414	G	33.8	Very low	31.6	Very low	74 Å²	74	130.2 Å²	130.2	76%	0.763	79%	0.789	S	S	*	*			trans	160.6	84.7	165.3	0	0	0	0	0	115
415	S	33.6	Very low	31.8	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	79%	0.794	S	S	*	*			trans	4.1	120.4	152.7	-51.7	0	0	0	0	117.8
416	A	31	Very low	32	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	79%	0.786	S	S	*	*				53.7	105.5	74.8	0	0	0	0	0	113.6
417	M	35.1	Very low	32	Very low	174 Å²	174	133 Å²	133	86%	0.857	79%	0.787	S	S	*	*			trans	-160.9	121.5	131.7	-90.2	-47.4	-129.6	0	0	110	L419	M417-L419 HydrophobicContact CE-CD1 4.16Å
418	A	29.2	Very low	32	Very low	94 Å²	94	132.7 Å²	132.7	78%	0.777	79%	0.79	S	S	*	*			trans	-116.9	128.5	167.6	0	0	0	0	0	107.6
419	L	32.9	Very low	31.8	Very low	148 Å²	148	133.4 Å²	133.4	78%	0.775	79%	0.789	S	S	*	*			trans	-154.9	117.4	159.2	-80.7	110.6	0	0	0	103.7	M417	M417-L419 HydrophobicContact CE-CD1 4.16Å
420	S	29.3	Very low	31.8	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	79%	0.79	S	S	*	*			cis	57.8	122.5	44.7	-164.4	0	0	0	0	115.2
421	T	34.2	Very low	31.7	Very low	132 Å²	132	128.1 Å²	128.1	81%	0.81	79%	0.789	S	S	*	*			trans	88.4	126.2	159.9	-17.6	0	0	0	0	114.1
422	G	32.5	Very low	31.7	Very low	63 Å²	63	126.9 Å²	126.9	65%	0.649	79%	0.792	S	S	*	*			cis	107.8	94.1	11.8	0	0	0	0	0	111.6
423	Q	32.4	Very low	31.5	Very low	192 Å²	192	127.9 Å²	127.9	90%	0.897	79%	0.791	S	S	*	*			trans	-167.3	111.4	157.1	-105.5	170.2	1.8	0	0	107.9
424	H	31.2	Very low	31.4	Very low	169 Å²	169	130.5 Å²	130.5	78%	0.782	79%	0.794	S	S	*	*				81.5	98.3	85.6	-148.4	-91.7	0	0	0	113.2
425	M	34.2	Very low	31.4	Very low	184 Å²	184	134.7 Å²	134.7	91%	0.906	79%	0.794	S	S	*	*			trans	-147.8	128.8	149.6	-75	-56.4	172.3	0	0	109.3
426	S	31.9	Very low	31.3	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	80%	0.795	S	S	*	*			trans	-69.5	126.4	175.4	45.5	0	0	0	0	112.1
427	V	32.3	Very low	31.4	Very low	139 Å²	139	138.6 Å²	138.6	84%	0.842	80%	0.797	S	S	*	*			trans	-154.3	131.6	144	-159.7	0	0	0	0	109.2	N429	V427-N429 PolarHBondContact O-N 3.31Å
428	S	30	Very low	31.5	Very low	106 Å²	106	139 Å²	139	74%	0.741	80%	0.799	S	S	*	*			trans	-48.6	124.2	168.5	-28.2	0	0	0	0	111.9
429	N	30.2	Very low	31.9	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	80%	0.799	S	S	*	*			trans	-178.1	133.2	134.6	-101	-15.2	0	0	0	111.6	V427	V427-N429 PolarHBondContact O-N 3.31Å
430	S	29.2	Very low	32.4	Very low	100 Å²	100	144.4 Å²	144.4	70%	0.699	80%	0.797	S	S	*	*			trans	-24	124.1	158.3	30.5	0	0	0	0	115.3
431	T	28.3	Very low	34	Very low	143 Å²	143	141.8 Å²	141.8	88%	0.877	78%	0.779	S	S	*	*			trans	179.6	149.2	133.9	23.9	0	0	0	0	112.4
432	A	29.7	Very low	35.2	Very low	98 Å²	98	144.4 Å²	144.4	81%	0.81	77%	0.774	S	S	*	*			trans	-49	135.4	-168.6	0	0	0	0	0	117.2	H434	A432-H434 PolarHBondContact O-N 3.48Å
433	Q	29.1	Very low	36.1	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	77%	0.768	S	S	*	*			trans	-89.4	102	164	-73.6	-164.6	-15.8	0	0	110.8	H435	Q433-H435 PolarHBondContact O-N 3.49Å; Q433-H435 PolarHBondContact O-ND1 2.86Å; Q433-H435 VanDerWaalsContact O-ND1 3.15Å
434	H	30.1	Very low	37.7	Very low	180 Å²	180	142 Å²	142	83%	0.833	74%	0.743	S	S	*	*			trans	-68.5	119.6	173.2	-144.3	-88.3	0	0	0	109.5	A432	A432-H434 PolarHBondContact O-N 3.48Å
435	H	33.1	Very low	39.1	Very low	162 Å²	162	140.3 Å²	140.3	75%	0.75	74%	0.735	S	S	*	*			trans	-73	129.1	174.3	-62.3	53	0	0	0	107.8	Q433 Q437	Q433-H435 PolarHBondContact O-N 3.49Å; Q433-H435 PolarHBondContact O-ND1 2.86Å; Q433-H435 VanDerWaalsContact O-ND1 3.15Å; H435-Q437 VanDerWaalsContact C-N 3.26Å; H435-Q437 PolarHBondContact O-N 3.01Å
436	S	31.5	Very low	40.6	Very low	121 Å²	121	136.3 Å²	136.3	85%	0.846	72%	0.715	S	S	*	*			trans	-69.9	83.5	174.2	40.6	0	0	0	0	110	M438	S436-M438 PolarHBondContact O-N 3.22Å
437	Q	32.3	Very low	42	Very low	170 Å²	170	140.3 Å²	140.3	79%	0.794	71%	0.714	S	S	*	*			trans	-58.9	121.6	161	-79.6	178.4	-14.6	0	0	107.8	H435 H439	H435-Q437 VanDerWaalsContact C-N 3.26Å; H435-Q437 PolarHBondContact O-N 3.01Å; Q437-H439 PolarHBondContact O-N 3.46Å
438	M	38.5	Very low	43.3	Very low	183 Å²	183	141.6 Å²	141.6	90%	0.901	71%	0.709	S	S	*	*			trans	-57.7	89.8	167.1	-71.8	-75.7	-150.1	0	0	108.4	S436 Y440	S436-M438 PolarHBondContact O-N 3.22Å; M438-Y440 PolarHBondContact O-N 3.14Å; M438-Y440 VanDerWaalsContact O-N 3.09Å
439	H	37.1	Very low	44.6	Very low	168 Å²	168	139.6 Å²	139.6	78%	0.778	70%	0.698	S	S	*	*			trans	-75.2	97.5	178.4	-162.3	90.1	0	0	0	107.1	Q437 S441	Q437-H439 PolarHBondContact O-N 3.46Å; H439-S441 PolarHBondContact O-N 2.69Å
440	Y	42.5	Very low	45.8	Very low	186 Å²	186	134.4 Å²	134.4	73%	0.729	68%	0.68	S	S	*	*			trans	-53.9	115	166.5	-103	-91.2	0	0	0	107.5	M438 R442	M438-Y440 PolarHBondContact O-N 3.14Å; M438-Y440 VanDerWaalsContact O-N 3.09Å; Y440-R442 PolarHBondContact O-N 3.27Å
441	S	64.9	Low	46.7	Very low	50 Å²	50	131.7 Å²	131.7	35%	0.35	67%	0.668	S	S	.	*			trans	-64.7	127.8	-179.9	-176.6	0	0	0	0	108.9	H439 Y443 D444 Q445	H439-S441 PolarHBondContact O-N 2.69Å; S441-Y443 PolarHBondContact O-N 2.89Å; S441-Y443 WeakPolarHBondContact OG-CB 3.49Å; S441-Y443 PolarHBondContact OG-N 3.46Å; S441-D444 WeakPolarHBondContact O-CB 3.26Å; S441-D444 PolarHBondContact O-N 3.08Å; S441-Q445 PolarHBondContact O-N 2.84Å
442	R	58.9	Low	47.9	Very low	186 Å²	186	134.9 Å²	134.9	70%	0.702	66%	0.664	S	S	*	*	H	α-helix	trans	-48.7	-30.8	169.8	-178.9	172.6	-178.2	164.7	7	111.8	Y440 Q445 E446	Y440-R442 PolarHBondContact O-N 3.27Å; R442-Q445 WeakPolarHBondContact O-CB 3.38Å; R442-Q445 PolarHBondContact O-N 2.94Å; R442-E446 HydrophobicContact CG-CG 4.45Å; R442-E446 WeakPolarHBondContact CG-OE1 3.23Å; R442-E446 IonicContact CZ-OE1 3.81Å; R442-E446 IonicContact NE-OE1 2.95Å; R442-E446 PolarHBondContact NE-OE1 3.17Å; R442-E446 IonicContact NH2-OE1 3.86Å; R442-E446 WeakPolarHBondContact O-CB 3.37Å; R442-E446 WeakPolarHBondContact O-CG 3.32Å; R442-E446 PolarHBondContact O-N 3.14Å
443	Y	51.9	Low	48.9	Very low	137 Å²	137	138 Å²	138	54%	0.537	66%	0.662	S	S	.	*	H	α-helix	trans	-65.7	-36.8	175.7	-156.7	-97.5	0	0	0	113.6	L226 S441 Q445 R447	L226-Y443 WeakPolarHBondContact CD2-OH 3.45Å; S441-Y443 PolarHBondContact O-N 2.89Å; S441-Y443 WeakPolarHBondContact OG-CB 3.49Å; S441-Y443 PolarHBondContact OG-N 3.46Å; Y443-Q445 VanDerWaalsContact C-N 3.33Å; Y443-R447 VanDerWaalsContact O-CB 3.25Å; Y443-R447 WeakPolarHBondContact O-CB 3.48Å; Y443-R447 PolarHBondContact O-N 3.49Å
444	D	64.8	Low	49.8	Very low	68 Å²	68	138.4 Å²	138.4	36%	0.364	66%	0.663	S	S	.	*	H	α-helix	trans	-69.6	-37.8	174.5	-72.3	-37.3	0	0	0	110.3	S441 R447 F448	S441-D444 WeakPolarHBondContact O-CB 3.26Å; S441-D444 PolarHBondContact O-N 3.08Å; D444-R447 PolarHBondContact O-N 2.84Å; D444-F448 HydrophobicContact CB-CE2 4.47Å; D444-F448 WeakPolarHBondContact O-CD2 3.25Å; D444-F448 PolarHBondContact O-N 3.11Å
445	Q	61.9	Low	50.7	Low	133 Å²	133	134.1 Å²	134.1	62%	0.621	65%	0.65	S	S	*	*	H	α-helix	trans	-67.3	-41.2	178.2	-147.2	158.1	10.1	0	0	112	S441 R442 Y443 F448 A449	S441-Q445 PolarHBondContact O-N 2.84Å; R442-Q445 WeakPolarHBondContact O-CB 3.38Å; R442-Q445 PolarHBondContact O-N 2.94Å; Y443-Q445 VanDerWaalsContact C-N 3.33Å; Q445-F448 PolarHBondContact O-N 2.92Å; Q445-A449 WeakPolarHBondContact O-CB 3.21Å; Q445-A449 PolarHBondContact O-N 3.08Å
446	E	65.5	Low	51.3	Low	101 Å²	101	130.5 Å²	130.5	47%	0.472	65%	0.648	S	S	.	*	H	α-helix	trans	-70.5	-32	174.3	-73.7	173.1	-172.8	0	0	112.2	R442 A449 G450	R442-E446 HydrophobicContact CG-CG 4.45Å; R442-E446 WeakPolarHBondContact CG-OE1 3.23Å; R442-E446 IonicContact CZ-OE1 3.81Å; R442-E446 IonicContact NE-OE1 2.95Å; R442-E446 PolarHBondContact NE-OE1 3.17Å; R442-E446 IonicContact NH2-OE1 3.86Å; R442-E446 WeakPolarHBondContact O-CB 3.37Å; R442-E446 WeakPolarHBondContact O-CG 3.32Å; R442-E446 PolarHBondContact O-N 3.14Å; E446-A449 PolarHBondContact O-N 2.88Å; E446-G450 PolarHBondContact O-N 2.98Å
447	R	61.5	Low	51.8	Low	186 Å²	186	128.1 Å²	128.1	70%	0.702	64%	0.643	S	S	*	*	H	α-helix	trans	-69	-37.4	172.6	-169.9	-177.9	-176.4	-169.2	2.7	113	Y443 D444 A449 G451	Y443-R447 VanDerWaalsContact O-CB 3.25Å; Y443-R447 WeakPolarHBondContact O-CB 3.48Å; Y443-R447 PolarHBondContact O-N 3.49Å; D444-R447 PolarHBondContact O-N 2.84Å; R447-A449 VanDerWaalsContact C-N 3.34Å; R447-G451 PolarHBondContact O-N 3.14Å
448	F	57.8	Low	52.1	Low	166 Å²	166	128.5 Å²	128.5	73%	0.728	64%	0.642	S	S	*	*	H	α-helix	trans	-73.7	-26.5	172.8	-73.5	-62.7	0	0	0	112.6	D444 Q445	D444-F448 HydrophobicContact CB-CE2 4.47Å; D444-F448 WeakPolarHBondContact O-CD2 3.25Å; D444-F448 PolarHBondContact O-N 3.11Å; Q445-F448 PolarHBondContact O-N 2.92Å
449	A	59	Low	52.8	Low	63 Å²	63	130.7 Å²	130.7	52%	0.521	64%	0.64	S	S	.	*	H	α-helix	trans	-77.6	-41.7	173.5	0	0	0	0	0	112.4	Q445 E446 R447 G451 R452	Q445-A449 WeakPolarHBondContact O-CB 3.21Å; Q445-A449 PolarHBondContact O-N 3.08Å; E446-A449 PolarHBondContact O-N 2.88Å; R447-A449 VanDerWaalsContact C-N 3.34Å; A449-G451 PolarHBondContact O-N 2.82Å; A449-R452 WeakPolarHBondContact O-CB 3.39Å; A449-R452 PolarHBondContact O-N 3.36Å
450	G	53.7	Low	53.4	Low	41 Å²	41	129 Å²	129	42%	0.423	64%	0.636	S	S	.	*	H	α-helix	trans	-72.3	-23.4	-179.4	0	0	0	0	0	114.5	E446 R452 E453	E446-G450 PolarHBondContact O-N 2.98Å; G450-R452 PolarHBondContact O-N 3Å; G450-E453 PolarHBondContact O-N 2.66Å
451	G	49.8	Very low	53.8	Low	43 Å²	43	126.6 Å²	126.6	44%	0.443	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-3.5	172.7	0	0	0	0	0	115.1	R447 A449	R447-G451 PolarHBondContact O-N 3.14Å; A449-G451 PolarHBondContact O-N 2.82Å
452	R	52.1	Low	53.6	Low	210 Å²	210	129.9 Å²	129.9	79%	0.792	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-22.9	174.6	-91.5	-176	168.8	176.7	-3.2	113.5	A449 G450	A449-R452 WeakPolarHBondContact O-CB 3.39Å; A449-R452 PolarHBondContact O-N 3.36Å; G450-R452 PolarHBondContact O-N 3Å
453	E	50.7	Low	53.4	Low	164 Å²	164	128.9 Å²	128.9	77%	0.766	66%	0.659	S	S	*	*	S	Bend	trans	-79.7	-29.6	-173.9	-74.1	-178	156.7	0	0	113.1	G450 T455 A456	G450-E453 PolarHBondContact O-N 2.66Å; E453-T455 VanDerWaalsContact C-N 3.28Å; E453-T455 PolarHBondContact O-N 3.32Å; E453-A456 WeakPolarHBondContact O-CB 3.49Å
454	E	48.8	Very low	53.2	Low	188 Å²	188	125 Å²	125	88%	0.879	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-8.7	176.5	-61.6	-177.1	-168.9	0	0	113.5
455	T	48	Very low	52.1	Low	91 Å²	91	127.8 Å²	127.8	56%	0.558	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	16.1	176.7	-38.1	0	0	0	0	112.1	E453 G457	E453-T455 VanDerWaalsContact C-N 3.28Å; E453-T455 PolarHBondContact O-N 3.32Å; T455-G457 PolarHBondContact O-N 2.95Å; T455-G457 VanDerWaalsContact O-N 3.08Å
456	A	45.6	Very low	51.2	Low	85 Å²	85	129.6 Å²	129.6	70%	0.702	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-4.3	-177.4	0	0	0	0	0	114.9	E453	E453-A456 WeakPolarHBondContact O-CB 3.49Å
457	G	42.9	Very low	50.3	Low	71 Å²	71	133.7 Å²	133.7	73%	0.732	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-5.7	-179.8	0	0	0	0	0	116.7	T455	T455-G457 PolarHBondContact O-N 2.95Å; T455-G457 VanDerWaalsContact O-N 3.08Å
458	F	39	Very low	49.7	Very low	178 Å²	178	128.6 Å²	128.6	78%	0.781	71%	0.706	S	S	*	*			trans	-120.6	89.7	-179.4	-79.6	-87.4	0	0	0	111.2	I460	F458-I460 PolarHBondContact O-N 3.03Å
459	R	53	Low	49.5	Very low	230 Å²	230	126.7 Å²	126.7	87%	0.868	70%	0.698	S	S	*	*			trans	-80.4	100.2	166.2	-69.5	-173.5	-166.6	166	4.5	109.1
460	I	49.7	Very low	49	Very low	133 Å²	133	127.1 Å²	127.1	68%	0.682	70%	0.702	S	S	*	*			trans	-92.4	95.1	164.2	-56.9	176.2	0	0	0	106.9	F458 T462	F458-I460 PolarHBondContact O-N 3.03Å; I460-T462 VanDerWaalsContact C-N 3.31Å; I460-T462 HydrophobicContact CG2-CG2 3.95Å; I460-T462 PolarHBondContact O-N 3.35Å
461	D	50.9	Low	48.6	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	72%	0.721	S	S	*	*			trans	-70.4	89.5	172.4	-90.7	-29.3	0	0	0	109.7	M463	D461-M463 PolarHBondContact O-N 3.32Å
462	T	59.3	Low	48.7	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	2.3	172.3	53.2	0	0	0	0	113.2	I460	I460-T462 VanDerWaalsContact C-N 3.31Å; I460-T462 HydrophobicContact CG2-CG2 3.95Å; I460-T462 PolarHBondContact O-N 3.35Å
463	M	54.9	Low	48.5	Very low	165 Å²	165	129.3 Å²	129.3	81%	0.813	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	7.4	-177.1	-63.3	-86.5	57.3	0	0	114.4	D461 T465	D461-M463 PolarHBondContact O-N 3.32Å; M463-T465 PolarHBondContact O-N 3.43Å
464	G	47.5	Very low	48.3	Very low	57 Å²	57	128.3 Å²	128.3	59%	0.588	73%	0.725	S	S	*	*	S	Bend	trans	-79	113	169.4	0	0	0	0	0	111.9	Y466	G464-Y466 PolarHBondContact O-N 3.02Å
465	T	41.6	Very low	48.4	Very low	126 Å²	126	125.4 Å²	125.4	77%	0.773	72%	0.72	S	S	*	*			trans	-54.6	109.2	176.9	-48.9	0	0	0	0	112.5	M463	M463-T465 PolarHBondContact O-N 3.43Å
466	Y	44.2	Very low	48.1	Very low	171 Å²	171	126 Å²	126	67%	0.671	73%	0.728	S	S	*	*			trans	-118.6	65.4	160.9	-112.6	-106.8	0	0	0	109.3	G464 K469	G464-Y466 PolarHBondContact O-N 3.02Å; Y466-K469 HydrophobicContact CD1-CB 4.38Å; Y466-K469 HydrophobicContact CD1-CD 4.16Å; Y466-K469 HydrophobicContact CD1-CG 3.81Å; Y466-K469 HydrophobicContact CE1-CB 4.36Å; Y466-K469 HydrophobicContact CE1-CD 3.39Å; Y466-K469 HydrophobicContact CE1-CG 3.57Å; Y466-K469 VanDerWaalsContact CZ-CE 3.49Å; Y466-K469 WeakPolarHBondContact OH-CE 3.38Å; Y466-K469 PolarHBondContact OH-NZ 3.21Å
467	H	45.6	Very low	48	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.866	74%	0.739	S	S	*	*			trans	-89.5	118.8	155.5	-97.5	47.4	0	0	0	106.6
468	G	49.8	Very low	47.8	Very low	78 Å²	78	129 Å²	129	80%	0.804	74%	0.736	S	S	*	*			trans	130.9	7.2	166.4	0	0	0	0	0	118.6
469	K	52.8	Low	47.9	Very low	126 Å²	126	127.1 Å²	127.1	55%	0.548	74%	0.74	S	S	.	*			trans	-108.3	97.2	173.4	-52.9	-141.1	-172.9	173	0	110.3	Y466	Y466-K469 HydrophobicContact CD1-CB 4.38Å; Y466-K469 HydrophobicContact CD1-CD 4.16Å; Y466-K469 HydrophobicContact CD1-CG 3.81Å; Y466-K469 HydrophobicContact CE1-CB 4.36Å; Y466-K469 HydrophobicContact CE1-CD 3.39Å; Y466-K469 HydrophobicContact CE1-CG 3.57Å; Y466-K469 VanDerWaalsContact CZ-CE 3.49Å; Y466-K469 WeakPolarHBondContact OH-CE 3.38Å; Y466-K469 PolarHBondContact OH-NZ 3.21Å
470	A	48.5	Very low	47	Very low	73 Å²	73	122 Å²	122	60%	0.603	74%	0.736	S	S	*	*			trans	-59.8	134.3	170.2	0	0	0	0	0	109.3	A472 S473	A470-A472 PolarHBondContact O-N 3.27Å; A470-S473 PolarHBondContact O-N 2.9Å
471	L	46.9	Very low	46.5	Very low	159 Å²	159	125.7 Å²	125.7	83%	0.832	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-60.4	-0.8	178.2	-71.5	165.6	0	0	0	114
472	A	51.3	Low	46	Very low	94 Å²	94	124.9 Å²	124.9	78%	0.777	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-81.6	-14.7	176.7	0	0	0	0	0	114.3	A470	A470-A472 PolarHBondContact O-N 3.27Å
473	S	48.5	Very low	44.7	Very low	86 Å²	86	126.5 Å²	126.5	60%	0.601	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-100.8	10.8	-179.1	83.1	0	0	0	0	114.5	A470	A470-S473 PolarHBondContact O-N 2.9Å
474	M	46.1	Very low	44.1	Very low	144 Å²	144	127.1 Å²	127.1	71%	0.709	76%	0.757	S	S	*	*	S	Bend	trans	-107	17.1	179.4	-80	-176.8	169.9	0	0	113.3
475	V	50.6	Low	43.6	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	76%	0.764	S	S	*	*			trans	-125.2	77.6	169.5	176.5	0	0	0	0	107.8
476	S	41.3	Very low	43.3	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	76%	0.764	S	S	*	*			trans	-149.6	111.3	161.6	62.2	0	0	0	0	108.2
477	V	43	Very low	43.2	Very low	152 Å²	152	128.9 Å²	128.9	92%	0.921	77%	0.769	S	S	*	*			trans	-58.4	137.3	179.1	174.7	0	0	0	0	110.1
478	G	40.2	Very low	42.9	Very low	66 Å²	66	126.2 Å²	126.2	68%	0.68	77%	0.765	S	S	*	*			trans	-76.7	159.7	-170.2	0	0	0	0	0	116.1
479	T	39.5	Very low	42.4	Very low	139 Å²	139	127 Å²	127	85%	0.853	76%	0.764	S	S	*	*			trans	-134.5	128.4	157.3	48.1	0	0	0	0	107.7
480	P	35.7	Very low	41.7	Very low	123 Å²	123	126.5 Å²	126.5	80%	0.799	78%	0.777	S	S	*	*			trans	-103.2	157.6	-175	37.1	-30.8	0	0	0	114.1
481	K	39.4	Very low	41.4	Very low	209 Å²	209	127.7 Å²	127.7	91%	0.909	79%	0.787	S	S	*	*			trans	120.9	134.9	167.1	-76.3	173.7	171.6	174.9	0	111.4
482	S	38.8	Very low	41.4	Very low	118 Å²	118	128 Å²	128	83%	0.825	79%	0.789	S	S	*	*			cis	-164.8	159.6	16.2	40.6	0	0	0	0	111.4
483	N	32.8	Very low	41.3	Very low	152 Å²	152	128.9 Å²	128.9	81%	0.813	79%	0.787	S	S	*	*			trans	-52.8	154	177.7	-75.8	-15.8	0	0	0	118
484	Q	41.5	Very low	40.8	Very low	178 Å²	178	131 Å²	131	83%	0.832	80%	0.796	S	S	*	*				163.9	111.4	126.1	-91.4	178.9	29.8	0	0	107.8
485	D	36.9	Very low	40.3	Very low	135 Å²	135	129.1 Å²	129.1	72%	0.722	80%	0.796	S	S	*	*				98.9	114.6	73.8	-87.2	-24.9	0	0	0	113.4
486	N	36.9	Very low	40.1	Very low	146 Å²	146	129.2 Å²	129.2	78%	0.781	80%	0.797	S	S	*	*			trans	62.7	135.5	137.5	-79.3	-24	0	0	0	125.2
487	S	40.5	Very low	39.9	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	80%	0.803	S	S	*	*			trans	93.3	145.1	139.6	81.8	0	0	0	0	118.3
488	V	40.3	Very low	39.8	Very low	130 Å²	130	127 Å²	127	79%	0.788	80%	0.797	S	S	*	*			cis	-173.7	151.4	-9.8	134.9	0	0	0	0	105.4
489	A	39.2	Very low	39.7	Very low	94 Å²	94	130.1 Å²	130.1	78%	0.777	80%	0.803	S	S	*	*			trans	68.1	154.2	155.8	0	0	0	0	0	119.1
490	S	38.3	Very low	39.7	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	80%	0.8	S	S	*	*			cis	178.4	164.4	-15.3	179.5	0	0	0	0	105.1
491	A	42.6	Very low	39.9	Very low	99 Å²	99	128 Å²	128	82%	0.818	79%	0.791	S	S	*	*			trans	95	124.9	161	0	0	0	0	0	118.2
492	N	46.1	Very low	39.9	Very low	166 Å²	166	129.2 Å²	129.2	89%	0.888	79%	0.79	S	S	*	*			trans	-105.6	-179.6	-163.8	-109.8	-18.4	0	0	0	110.1
493	P	48.3	Very low	39.8	Very low	111 Å²	111	127.9 Å²	127.9	72%	0.721	78%	0.781	S	S	*	*			trans	-108.4	172.4	-141.4	42	-36.6	0	0	0	114.2
494	V	39	Very low	40.3	Very low	131 Å²	131	129.6 Å²	129.6	79%	0.794	79%	0.787	S	S	*	*			trans	-152.3	129.6	161.3	150.7	0	0	0	0	110.7
495	C	36.2	Very low	40.1	Very low	105 Å²	105	124.2 Å²	124.2	71%	0.709	78%	0.779	S	S	*	*			trans	39.4	148.1	139	-52.9	0	0	0	0	120.5
496	T	45.1	Very low	40.1	Very low	128 Å²	128	126.1 Å²	126.1	79%	0.785	79%	0.789	S	S	*	*			cis	-178	168.7	1.8	15.9	0	0	0	0	105.8
497	P	38.8	Very low	40.4	Very low	132 Å²	132	128.2 Å²	128.2	86%	0.857	79%	0.794	S	S	*	*			trans	-92.4	162	-160.1	36.8	-34.4	0	0	0	115.2
498	G	39.1	Very low	40.3	Very low	78 Å²	78	129 Å²	129	80%	0.804	80%	0.795	S	S	*	*			trans	-152	104	177.7	0	0	0	0	0	113.6
499	T	39.2	Very low	40.5	Very low	131 Å²	131	128.5 Å²	128.5	80%	0.804	79%	0.794	S	S	*	*			trans	-25.5	134.7	153.5	-51.9	0	0	0	0	115.8
500	T	39.5	Very low	40.5	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	79%	0.79	S	S	*	*				176.9	131.2	118.6	17.2	0	0	0	0	115.9
501	S	38.9	Very low	40.9	Very low	88 Å²	88	131.4 Å²	131.4	62%	0.615	79%	0.794	S	S	*	*			trans	76.7	121.7	132	108	0	0	0	0	120.6
502	R	39.4	Very low	41.1	Very low	235 Å²	235	131.6 Å²	131.6	89%	0.887	79%	0.786	S	S	*	*				92.9	139.8	115.4	-83.6	173.4	-178.6	-170.1	0.3	110.9
503	S	36.8	Very low	40.9	Very low	91 Å²	91	134 Å²	134	64%	0.636	78%	0.784	S	S	*	*			cis	172.3	144.9	18.9	149.4	0	0	0	0	107.7
504	M	43.5	Very low	40.6	Very low	187 Å²	187	136 Å²	136	92%	0.921	79%	0.785	S	S	*	*			trans	73	145.1	155.1	-54.8	-92.3	-88.9	0	0	116.8
505	G	37.6	Very low	40.9	Very low	66 Å²	66	135.5 Å²	135.5	68%	0.68	78%	0.784	S	S	*	*			cis	-178.3	134.6	2.3	0	0	0	0	0	106.4
506	N	37.6	Very low	41.2	Very low	174 Å²	174	138 Å²	138	93%	0.93	79%	0.785	S	S	*	*			trans	-88.5	114.9	175.4	-126.6	24.4	0	0	0	107
507	E	42.6	Very low	41.6	Very low	190 Å²	190	137.4 Å²	137.4	89%	0.888	78%	0.784	S	S	*	*			trans	-129.1	127.8	168.8	-64.4	-159	133.2	0	0	109.7
508	T	38.9	Very low	41.7	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	78%	0.78	S	S	*	*			trans	-84.9	153.2	175.1	-42.4	0	0	0	0	107.9
509	P	44.6	Very low	41.9	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	78%	0.779	S	S	*	*				-150.1	152.6	99.8	30.8	-9.3	0	0	0	116.9
510	S	38.6	Very low	42	Very low	100 Å²	100	144.4 Å²	144.4	70%	0.699	77%	0.774	S	S	*	*			trans	-43.7	147.5	162.8	48.1	0	0	0	0	118.5
511	I	47.2	Very low	42.6	Very low	172 Å²	172	143.4 Å²	143.4	88%	0.882	77%	0.77	S	S	*	*			trans	-150.4	146.4	143.7	-69	-163.1	0	0	0	109.7
512	P	46.6	Very low	42.7	Very low	102 Å²	102	151.2 Å²	151.2	66%	0.662	79%	0.786	S	S	*	*			trans	-127.4	-170.3	-140.9	23.2	2.7	0	0	0	116.8
513	Y	42.3	Very low	42.7	Very low	216 Å²	216	144 Å²	144	85%	0.847	78%	0.784	S	S	*	*			trans	101.9	103	154.1	-83.2	-87.9	0	0	0	121.7
514	E	40.7	Very low	43.1	Very low	155 Å²	155	148 Å²	148	72%	0.724	80%	0.797	S	S	*	*				-1.3	158.2	125.2	-151.1	158.2	171.5	0	0	117.9
515	P	46.8	Very low	43.1	Very low	120 Å²	120	144.2 Å²	144.2	78%	0.779	79%	0.789	S	S	*	*			cis	-155.3	165.6	45.9	41.3	-15.5	0	0	0	125.1
516	Q	41.7	Very low	43.3	Very low	156 Å²	156	146.5 Å²	146.5	73%	0.729	79%	0.794	S	S	*	*			trans	-64.7	168.3	167	-69.2	-89.6	-46.7	0	0	113.6
517	P	53.2	Low	43.6	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	79%	0.788	S	S	*	*				-145.6	149.7	108.7	34.9	-18.2	0	0	0	112.7
518	L	42.2	Very low	44	Very low	149 Å²	149	140.5 Å²	140.5	78%	0.78	79%	0.785	S	S	*	*			cis	83.1	105.7	47.8	-157.1	75.6	0	0	0	116.3
519	R	41.5	Very low	44.6	Very low	207 Å²	207	139.1 Å²	139.1	78%	0.781	78%	0.778	S	S	*	*			trans	51.6	127.3	144.6	-77.5	-175.8	164.6	164.2	-3.3	125.4
520	D	41.4	Very low	44.6	Very low	132 Å²	132	142 Å²	142	71%	0.706	79%	0.786	S	S	*	*				70.2	170.7	129.8	-56.6	-26.7	0	0	0	120.8
521	P	53.8	Low	44.9	Very low	108 Å²	108	143.2 Å²	143.2	70%	0.701	79%	0.789	S	S	*	*				-136	178.4	-79.1	41.4	-23	0	0	0	115
522	R	39.2	Very low	45	Very low	252 Å²	252	140.9 Å²	140.9	95%	0.951	79%	0.785	S	S	*	*			trans	65.1	124.2	161.1	-70	179.8	174.4	160.5	-1.1	119.6
523	G	41.1	Very low	44.7	Very low	82 Å²	82	141 Å²	141	85%	0.845	79%	0.789	S	S	*	*			trans	-173.1	107.6	162.2	0	0	0	0	0	112.6
524	I	44.6	Very low	45.1	Very low	176 Å²	176	137 Å²	137	90%	0.903	79%	0.787	S	S	*	*			trans	-81.7	135	173.6	-68.2	159	0	0	0	108.2
525	S	42.5	Very low	45.6	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	79%	0.788	S	S	*	*			trans	175.4	128.6	133.8	-172.5	0	0	0	0	113.5
526	S	43.1	Very low	45.5	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	79%	0.787	S	S	*	*			trans	-42.3	151	159.8	30.7	0	0	0	0	118.2
527	G	42.5	Very low	45.8	Very low	78 Å²	78	134.1 Å²	134.1	80%	0.804	79%	0.786	S	S	*	*			trans	179.9	112.8	160.5	0	0	0	0	0	112.1
528	I	51.5	Low	45.8	Very low	161 Å²	161	133.9 Å²	133.9	83%	0.826	78%	0.784	S	S	*	*			trans	-101.2	-169.8	-172.4	-35.7	176.8	0	0	0	110.2
529	P	50.7	Low	46	Very low	98 Å²	98	136.9 Å²	136.9	64%	0.636	79%	0.786	S	S	*	*				-117.3	179	-105.6	40	-22.4	0	0	0	114.4
530	L	45.5	Very low	46.3	Very low	180 Å²	180	138.5 Å²	138.5	94%	0.942	79%	0.793	S	S	*	*			trans	-149	128.8	146.2	-76.4	179.3	0	0	0	111
531	T	44.7	Very low	46.4	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	80%	0.795	S	S	*	*			trans	-97.2	169.4	173.1	56.9	0	0	0	0	109.7
532	P	48.7	Very low	46.3	Very low	122 Å²	122	138.9 Å²	138.9	79%	0.792	81%	0.805	S	S	*	*				-151.2	141.8	84.7	34.7	-13.4	0	0	0	117.5
533	S	41.9	Very low	46.6	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	80%	0.804	S	S	*	*			trans	25.4	120.4	134.3	-173.9	0	0	0	0	121.5
534	T	49	Very low	46.8	Very low	131 Å²	131	136.9 Å²	136.9	80%	0.804	78%	0.779	S	S	*	*			trans	-152.7	110.2	130.6	-59.9	0	0	0	0	108.7
535	T	52.2	Low	47.3	Very low	124 Å²	124	133.9 Å²	133.9	76%	0.761	77%	0.769	S	S	*	*			trans	21.9	150.4	149.4	20.6	0	0	0	0	122.7
536	P	45.6	Very low	47.7	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	75%	0.753	S	S	*	*			trans	-106.8	158.9	-138.1	40.8	-34.1	0	0	0	114.3
537	D	46.2	Very low	48.3	Very low	132 Å²	132	130.4 Å²	130.4	71%	0.706	74%	0.74	S	S	*	*			trans	-127.1	105.2	170.5	-151.7	-5	0	0	0	109.9	Y539	D537-Y539 VanDerWaalsContact C-N 3.27Å; D537-Y539 PolarHBondContact O-N 3.18Å
538	P	54.1	Low	48.8	Very low	111 Å²	111	130.1 Å²	130.1	72%	0.721	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	11.3	-173.6	30	-30.7	0	0	0	114.9
539	Y	47.2	Very low	48.9	Very low	212 Å²	212	131.5 Å²	131.5	83%	0.831	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	11.5	-171.4	-77.1	-79.8	0	0	0	116.7	D537	D537-Y539 VanDerWaalsContact C-N 3.27Å; D537-Y539 PolarHBondContact O-N 3.18Å
540	R	46.4	Very low	49.1	Very low	241 Å²	241	131.7 Å²	131.7	91%	0.909	72%	0.72	S	S	*	*	S	Bend	trans	-123.3	44.7	-168.8	-147.8	176.4	-162	-162.8	4.4	116.3
541	G	44.8	Very low	49.5	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	70%	0.704	S	S	*	*	S	Bend	trans	-138.4	-16.9	176.1	0	0	0	0	0	117.1	R543	G541-R543 PolarHBondContact O-N 3.32Å
542	L	51.1	Low	49.8	Very low	176 Å²	176	124.7 Å²	124.7	92%	0.921	70%	0.696	S	S	*	*			trans	-96.3	61.5	-177	-69.8	165.8	0	0	0	111.5	S544	L542-S544 VanDerWaalsContact C-N 3.31Å; L542-S544 PolarHBondContact O-N 3.03Å
543	R	46.1	Very low	49.8	Very low	247 Å²	247	129 Å²	129	93%	0.932	70%	0.696	S	S	*	*			trans	-97.7	73.2	155.4	-77.3	-169.3	176.3	-159.2	-0.4	109	G541 T545	G541-R543 PolarHBondContact O-N 3.32Å; R543-T545 PolarHBondContact O-N 3.46Å
544	S	44.6	Very low	50	Low	44 Å²	44	129.7 Å²	129.7	31%	0.308	70%	0.696	S	S	.	*			trans	33.3	87.5	138.6	-163.8	0	0	0	0	115.5	L542 A546 D547	L542-S544 VanDerWaalsContact C-N 3.31Å; L542-S544 PolarHBondContact O-N 3.03Å; S544-A546 PolarHBondContact O-N 2.67Å; S544-A546 VanDerWaalsContact O-N 3.09Å; S544-A546 WeakPolarHBondContact OG-CB 3.23Å; S544-A546 PolarHBondContact OG-N 2.87Å; S544-D547 WeakPolarHBondContact CB-OD2 3.34Å; S544-D547 PolarHBondContact O-N 3.13Å; S544-D547 VanDerWaalsContact O-N 3.08Å; S544-D547 PolarHBondContact OG-N 3.28Å; S544-D547 PolarHBondContact OG-OD2 2.87Å
545	T	54.3	Low	49.8	Very low	114 Å²	114	131.9 Å²	131.9	70%	0.699	70%	0.695	S	S	*	*	H	α-helix	trans	-57.2	-12.8	155.3	53.6	0	0	0	0	111.9	R543 R549	R543-T545 PolarHBondContact O-N 3.46Å; T545-R549 WeakPolarHBondContact O-CG 3.28Å
546	A	51.4	Low	49.3	Very low	51 Å²	51	134.8 Å²	134.8	42%	0.421	70%	0.701	S	S	.	*	H	α-helix	trans	-77.6	-34.2	172.3	0	0	0	0	0	113	S544 R549 L550	S544-A546 PolarHBondContact O-N 2.67Å; S544-A546 VanDerWaalsContact O-N 3.09Å; S544-A546 WeakPolarHBondContact OG-CB 3.23Å; S544-A546 PolarHBondContact OG-N 2.87Å; A546-R549 WeakPolarHBondContact O-CB 3.32Å; A546-R549 PolarHBondContact O-N 2.64Å; A546-R549 VanDerWaalsContact O-N 3.14Å; A546-L550 WeakPolarHBondContact O-CG 3.33Å; A546-L550 PolarHBondContact O-N 3.22Å
547	D	55.1	Low	49.6	Very low	97 Å²	97	141 Å²	141	52%	0.519	71%	0.71	S	S	.	*	H	α-helix	trans	-72.3	-33.3	178	-79.2	-51.9	0	0	0	112.6	S544 R549 L550 S551	S544-D547 WeakPolarHBondContact CB-OD2 3.34Å; S544-D547 PolarHBondContact O-N 3.13Å; S544-D547 VanDerWaalsContact O-N 3.08Å; S544-D547 PolarHBondContact OG-N 3.28Å; S544-D547 PolarHBondContact OG-OD2 2.87Å; D547-R549 PolarHBondContact O-N 3.48Å; D547-L550 PolarHBondContact O-N 3.29Å; D547-S551 PolarHBondContact O-N 3.38Å; D547-S551 PolarHBondContact O-OG 2.93Å
548	A	52.7	Low	50.5	Low	71 Å²	71	138.1 Å²	138.1	59%	0.587	70%	0.701	S	S	*	*	H	α-helix	trans	-63.6	-31.5	169.8	0	0	0	0	0	112.2	A552	A548-A552 WeakPolarHBondContact O-CB 3.42Å; A548-A552 PolarHBondContact O-N 3.18Å
549	R	53.8	Low	51.7	Low	191 Å²	191	135.2 Å²	135.2	72%	0.721	68%	0.683	S	S	*	*	H	α-helix	trans	-79.7	-26.1	176.3	-71.5	177.8	175.9	164.5	0.2	112.9	T545 A546 D547	T545-R549 WeakPolarHBondContact O-CG 3.28Å; A546-R549 WeakPolarHBondContact O-CB 3.32Å; A546-R549 PolarHBondContact O-N 2.64Å; A546-R549 VanDerWaalsContact O-N 3.14Å; D547-R549 PolarHBondContact O-N 3.48Å
550	L	55.4	Low	53.5	Low	102 Å²	102	132.4 Å²	132.4	53%	0.534	67%	0.671	S	S	.	*	H	α-helix	trans	-82.3	-38.9	176.4	-69.5	164.8	0	0	0	111.9	A546 D547 A552 R553	A546-L550 WeakPolarHBondContact O-CG 3.33Å; A546-L550 PolarHBondContact O-N 3.22Å; D547-L550 PolarHBondContact O-N 3.29Å; L550-A552 VanDerWaalsContact C-N 3.31Å; L550-A552 PolarHBondContact O-N 3.42Å; L550-R553 PolarHBondContact O-N 3.23Å
551	S	53.9	Low	55.7	Low	87 Å²	87	123.7 Å²	123.7	61%	0.608	64%	0.641	S	S	*	*	H	α-helix	trans	-72.5	-19.8	172.3	-63.7	0	0	0	0	114	D547 R553	D547-S551 PolarHBondContact O-N 3.38Å; D547-S551 PolarHBondContact O-OG 2.93Å; S551-R553 VanDerWaalsContact C-N 3.27Å
552	A	50.7	Low	58.1	Low	72 Å²	72	120.4 Å²	120.4	60%	0.595	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-13.7	170.8	0	0	0	0	0	113.3	A548 L550	A548-A552 WeakPolarHBondContact O-CB 3.42Å; A548-A552 PolarHBondContact O-N 3.18Å; L550-A552 VanDerWaalsContact C-N 3.31Å; L550-A552 PolarHBondContact O-N 3.42Å
553	R	49	Very low	60.2	Low	212 Å²	212	112 Å²	112	80%	0.8	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-5.1	-175.3	-114.6	172.7	86	179.4	4.8	115	L550 S551	L550-R553 PolarHBondContact O-N 3.23Å; S551-R553 VanDerWaalsContact C-N 3.27Å
554	T	46.1	Very low	62.6	Low	120 Å²	120	100.3 Å²	100.3	74%	0.736	52%	0.519	S	S	*	.	S	Bend	trans	-107.4	0.2	-178.9	27.2	0	0	0	0	115.2	M556	T554-M556 PolarHBondContact O-N 3.07Å
555	K	44.2	Very low	65.1	Low	177 Å²	177	98.3 Å²	98.3	77%	0.77	50%	0.504	S	S	*	.	S	Bend	trans	-80.2	95.9	159.8	-68	-176.8	-177.2	-179.6	0	107.2	R557	K555-R557 PolarHBondContact O-N 3.34Å
556	M	42.6	Very low	67.1	Low	184 Å²	184	92.9 Å²	92.9	91%	0.906	47%	0.471	S	S	*	.			trans	-45.9	112	169.7	-70.3	-119.8	107.2	0	0	107.6	T554 S558	T554-M556 PolarHBondContact O-N 3.07Å; M556-S558 PolarHBondContact O-N 3.1Å
557	R	52.3	Low	69.2	Low	246 Å²	246	90.9 Å²	90.9	93%	0.928	45%	0.454	S	S	*	.			trans	-60.1	103.8	-180	-79.4	175.7	145.9	-171.7	-5.5	107.2	K555 S559	K555-R557 PolarHBondContact O-N 3.34Å; R557-S559 PolarHBondContact O-N 2.89Å; R557-S559 VanDerWaalsContact O-N 3.14Å
558	S	65.3	Low	70.9	Confident	73 Å²	73	88.8 Å²	88.8	51%	0.51	45%	0.45	S	S	.	.			trans	-52.4	122.5	170.1	55.6	0	0	0	0	107	M556 R560	M556-S558 PolarHBondContact O-N 3.1Å; S558-R560 PolarHBondContact O-N 2.91Å
559	S	77.7	Confident	72.7	Confident	49 Å²	49	86 Å²	86	34%	0.343	43%	0.427	S	S	.	.			trans	-59.3	145.2	179.3	61.8	0	0	0	0	108.7	R557 R635	R557-S559 PolarHBondContact O-N 2.89Å; R557-S559 VanDerWaalsContact O-N 3.14Å; S559-R635 WeakPolarHBondContact O-CD 3.13Å; S559-R635 PolarHBondContact O-NE 2.96Å; S559-R635 PolarHBondContact OG-NE 3.16Å; S559-R635 PolarHBondContact OG-NH1 3.29Å; S559-R635 PolarHBondContact OG-NH2 3.3Å; S559-R635 VanDerWaalsContact OG-NH2 3.08Å
560	R	86.5	Confident	74.4	Confident	154 Å²	154	82.1 Å²	82.1	58%	0.581	43%	0.427	S	S	*	.			trans	-103.4	15.2	176.7	-68.1	-176.5	-71.4	173	-0.7	111.8	S558 P562	S558-R560 PolarHBondContact O-N 2.91Å; R560-P562 VanDerWaalsContact O-CD 3.31Å; R560-P562 WeakPolarHBondContact O-CD 3.36Å
561	I	92.3	Very high	76.1	Confident	57 Å²	57	82.3 Å²	82.3	29%	0.292	43%	0.432	S	S	.	.			trans	-76.1	118.1	-176.1	-58.5	177.6	0	0	0	108	L606 P618 R620	I561-L606 HydrophobicContact CG2-CD1 4.26Å; I561-P618 HydrophobicContact CG1-CG 4.32Å; I561-P618 HydrophobicContact CG2-CB 4.44Å; I561-R620 HydrophobicContact CG2-CB 4.05Å
562	P	94.5	Very high	78	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.032	41%	0.407	C	S	.	.			trans	-64.6	143.8	177.1	25.7	-34.7	0	0	0	111.6	R560 P618 Y619 R620 R635 V637 L719	R560-P562 VanDerWaalsContact O-CD 3.31Å; R560-P562 WeakPolarHBondContact O-CD 3.36Å; P562-P618 WeakPolarHBondContact CD-O 3.32Å; P562-Y619 HydrophobicContact CB-CD1 3.69Å; P562-Y619 HydrophobicContact CB-CE1 3.67Å; P562-Y619 HydrophobicContact CG-CD1 3.31Å; P562-Y619 HydrophobicContact CG-CD2 4.16Å; P562-Y619 HydrophobicContact CG-CE1 3.31Å; P562-Y619 HydrophobicContact CG-CE2 4.17Å; P562-Y619 HydrophobicContact CG-CG 3.74Å; P562-R620 PolarHBondContact O-N 3.44Å; P562-R635 WeakPolarHBondContact CA-O 3.25Å; P562-V637 HydrophobicContact CB-CG1 3.83Å; P562-V637 HydrophobicContact CB-CG2 3.83Å; P562-L719 HydrophobicContact CB-CD1 4.49Å
563	I	95.8	Very high	80.1	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.3	-176.7	-56.4	178.5	0	0	0	110.3	R620 V622 L628 E632 R635 V636 V637	I563-R620 CarbonylContact C-O 3.54Å; I563-R620 VanDerWaalsContact CA-O 3.26Å; I563-R620 WeakPolarHBondContact CA-O 3.41Å; I563-R620 HydrophobicContact CG1-CB 4.29Å; I563-V622 HydrophobicContact CG2-CG2 3.73Å; I563-L628 HydrophobicContact CD1-CD2 4.03Å; I563-L628 HydrophobicContact CG2-CD1 4.37Å; I563-E632 HydrophobicContact CD1-CB 3.84Å; I563-R635 HydrophobicContact CD1-CB 4.28Å; I563-R635 HydrophobicContact CG1-CB 4.2Å; I563-R635 PolarHBondContact N-O 3.4Å; I563-V636 HydrophobicContact CB-CG2 4.1Å; I563-V636 HydrophobicContact CG2-CG2 4.17Å; I563-V636 CarbonylContact O-C 3.55Å; I563-V636 WeakPolarHBondContact O-CA 3.35Å; I563-V637 WeakPolarHBondContact O-CG2 3.48Å; I563-V637 PolarHBondContact O-N 3.01Å
564	I	97	Very high	82.3	Confident	1 Å²	1	67 Å²	67	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.8	173.8	-60.8	178.4	0	0	0	107.9	L583 Y619 R620 V621 V622 V637 A638 F640 W705 L708	I564-L583 HydrophobicContact CD1-CD1 4.27Å; I564-L583 HydrophobicContact CG2-CD1 4.49Å; I564-Y619 HydrophobicContact CD1-CD1 3.9Å; I564-Y619 HydrophobicContact CD1-CG 4.43Å; I564-Y619 HydrophobicContact CG1-CD1 4.18Å; I564-R620 PolarHBondContact N-O 3.1Å; I564-V621 HydrophobicContact CB-CG2 4.4Å; I564-V621 WeakPolarHBondContact O-CA 3.46Å; I564-V622 PolarHBondContact O-N 3.2Å; I564-V637 HydrophobicContact CG1-CG2 4.2Å; I564-A638 WeakPolarHBondContact CA-O 3.29Å; I564-A638 HydrophobicContact CG1-CB 4.31Å; I564-A638 HydrophobicContact CG2-CB 4.32Å; I564-F640 HydrophobicContact CG2-CD2 3.85Å; I564-F640 HydrophobicContact CG2-CE2 3.62Å; I564-W705 HydrophobicContact CD1-CH2 4.23Å; I564-W705 HydrophobicContact CD1-CZ3 4.45Å; I564-L708 HydrophobicContact CD1-CD2 4.23Å
565	I	96.8	Very high	84.7	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.2	177.4	-59.5	168.1	0	0	0	108.9	V622 P625 L628 W633 V636 A638 V639 F640 W651	I565-V622 CarbonylContact C-O 3.48Å; I565-V622 WeakPolarHBondContact CA-O 2.97Å; I565-V622 HydrophobicContact CG1-CG2 3.96Å; I565-P625 HydrophobicContact CD1-CB 4.2Å; I565-P625 HydrophobicContact CG2-CG 4.5Å; I565-L628 HydrophobicContact CD1-CD1 4.09Å; I565-L628 HydrophobicContact CG1-CD1 4.33Å; I565-W633 HydrophobicContact CD1-CH2 3.82Å; I565-W633 HydrophobicContact CD1-CZ3 3.74Å; I565-V636 HydrophobicContact CD1-CB 4.43Å; I565-V636 HydrophobicContact CD1-CG1 3.55Å; I565-V636 HydrophobicContact CD1-CG2 3.96Å; I565-V636 HydrophobicContact CG1-CG1 4.05Å; I565-V636 HydrophobicContact CG1-CG2 4.46Å; I565-A638 PolarHBondContact N-O 2.88Å; I565-V639 HydrophobicContact CB-CG2 4.03Å; I565-V639 HydrophobicContact CD1-CG2 4.11Å; I565-V639 CarbonylContact O-C 3.59Å; I565-V639 WeakPolarHBondContact O-CA 3.44Å; I565-F640 PolarHBondContact O-N 2.98Å; I565-W651 HydrophobicContact CD1-CH2 4.44Å; I565-W651 HydrophobicContact CG2-CH2 4.23Å; I565-W651 HydrophobicContact CG2-CZ2 4.27Å
566	I	96.1	Very high	87.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.284	C	S	.	.			trans	-110.4	156.7	171.1	65.4	168.7	0	0	0	110.3	I574 M576 A579 V621 V622 D623 F640	I566-I574 HydrophobicContact CG2-CD1 3.97Å; I566-I574 HydrophobicContact CG2-CG1 4.13Å; I566-M576 HydrophobicContact CD1-CB 4.48Å; I566-M576 HydrophobicContact CD1-CG 3.85Å; I566-M576 VanDerWaalsContact CD1-N 3.34Å; I566-M576 HydrophobicContact CD1-SD 3.32Å; I566-M576 WeakPolarHBondContact CD1-SD 3.31Å; I566-M576 HydrophobicContact CG1-SD 3.85Å; I566-A579 HydrophobicContact CD1-CB 4.14Å; I566-V621 HydrophobicContact CD1-CG1 4.22Å; I566-V621 HydrophobicContact CG1-CG1 4.24Å; I566-V621 HydrophobicContact CG2-CG1 3.81Å; I566-V622 PolarHBondContact N-O 3.3Å; I566-D623 HydrophobicContact CG1-CB 4Å; I566-D623 WeakPolarHBondContact O-CA 3.5Å; I566-F640 HydrophobicContact CG2-CB 4.41Å; I566-F640 HydrophobicContact CG2-CD2 3.75Å; I566-F640 HydrophobicContact CG2-CE2 4.47Å; I566-F640 HydrophobicContact CG2-CG 4.36Å
567	P	94.2	Very high	89.6	Confident	8 Å²	8	47.4 Å²	47.4	5%	0.052	25%	0.25	C	C	.	.			trans	-67.4	138.9	177.1	28.4	-34.8	0	0	0	110.7	A569 S572 F640	P567-A569 PolarHBondContact O-N 3.43Å; P567-S572 WeakPolarHBondContact CG-OG 3.5Å; P567-F640 WeakPolarHBondContact CD-O 3.41Å
568	A	91.7	Very high	91.7	Very high	53 Å²	53	35.7 Å²	35.7	44%	0.438	21%	0.206	S	C	.	.			trans	-73.9	1.8	174.1	0	0	0	0	0	113.8	D623	A568-D623 HydrophobicContact CB-CB 4.28Å
569	A	91.3	Very high	93.1	Very high	13 Å²	13	32.2 Å²	32.2	11%	0.107	18%	0.181	C	C	.	.			trans	-78.4	126.2	-176.4	0	0	0	0	0	111.3	P567 T571 S572	P567-A569 PolarHBondContact O-N 3.43Å; A569-T571 PolarHBondContact O-N 3.41Å; A569-T571 VanDerWaalsContact O-N 3.16Å; A569-S572 WeakPolarHBondContact O-CB 3.39Å; A569-S572 PolarHBondContact O-N 3.23Å; A569-S572 VanDerWaalsContact O-N 3.13Å
570	P	89.7	Confident	94	Very high	109 Å²	109	36.1 Å²	36.1	71%	0.708	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.4	-180	28.1	-35.2	0	0	0	113.3
571	T	91.1	Very high	94.4	Very high	107 Å²	107	29.4 Å²	29.4	66%	0.656	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.9	177.5	51.8	0	0	0	0	113.6	A569 Q642	A569-T571 PolarHBondContact O-N 3.41Å; A569-T571 VanDerWaalsContact O-N 3.16Å; T571-Q642 PolarHBondContact OG1-NE2 3.3Å
572	S	93.6	Very high	94.5	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.084	15%	0.15	C	C	.	.	S	Bend	trans	-68.3	146.7	175.3	176.2	0	0	0	0	111.5	P567 A569 I574 T575	P567-S572 WeakPolarHBondContact CG-OG 3.5Å; A569-S572 WeakPolarHBondContact O-CB 3.39Å; A569-S572 PolarHBondContact O-N 3.23Å; A569-S572 VanDerWaalsContact O-N 3.13Å; S572-I574 VanDerWaalsContact C-N 3.26Å; S572-I574 VanDerWaalsContact CB-O 3.24Å; S572-I574 WeakPolarHBondContact CB-O 3.09Å; S572-I574 PolarHBondContact O-N 3.01Å; S572-I574 PolarHBondContact OG-N 3.29Å; S572-I574 PolarHBondContact OG-O 3.43Å; S572-T575 WeakPolarHBondContact O-CG2 3.44Å
573	L	94.7	Very high	94.6	Very high	35 Å²	35	26.6 Å²	26.6	18%	0.183	15%	0.149	C	C	.	.	S	Bend	trans	-67.4	-29.6	174.3	-62	-179	0	0	0	112.2	N578 F588 L669 Y671 L690	L573-N578 PolarHBondContact O-ND2 3.12Å; L573-F588 HydrophobicContact CB-CE2 4.19Å; L573-F588 HydrophobicContact CB-CZ 4.4Å; L573-F588 HydrophobicContact CD2-CZ 4.34Å; L573-F588 WeakPolarHBondContact O-CE2 3.15Å; L573-L669 HydrophobicContact CB-CB 4.2Å; L573-L669 HydrophobicContact CD1-CB 4.18Å; L573-Y671 HydrophobicContact CD1-CD2 4.21Å; L573-Y671 HydrophobicContact CD1-CE2 4.15Å; L573-Y671 HydrophobicContact CD2-CD2 4.17Å; L573-Y671 HydrophobicContact CD2-CE2 3.37Å; L573-Y671 HydrophobicContact CG-CE2 4.43Å; L573-L690 HydrophobicContact CD1-CD1 4.11Å
574	I	95.6	Very high	94.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	16%	0.16	C	C	.	.	S	Bend	trans	-109.6	127.8	171.4	-172.4	168.3	0	0	0	109.6	I566 S572 A579 I582 L583 F640 L669	I566-I574 HydrophobicContact CG2-CD1 3.97Å; I566-I574 HydrophobicContact CG2-CG1 4.13Å; S572-I574 VanDerWaalsContact C-N 3.26Å; S572-I574 VanDerWaalsContact CB-O 3.24Å; S572-I574 WeakPolarHBondContact CB-O 3.09Å; S572-I574 PolarHBondContact O-N 3.01Å; S572-I574 PolarHBondContact OG-N 3.29Å; S572-I574 PolarHBondContact OG-O 3.43Å; I574-A579 HydrophobicContact CD1-CB 4.41Å; I574-A579 HydrophobicContact CG1-CB 4.19Å; I574-I582 HydrophobicContact CB-CD1 4.16Å; I574-I582 HydrophobicContact CD1-CD1 4.48Å; I574-I582 HydrophobicContact CD1-CG2 4.24Å; I574-I582 HydrophobicContact CG1-CD1 4.08Å; I574-L583 HydrophobicContact CD1-CD1 4.45Å; I574-L583 HydrophobicContact CD1-CG 4.43Å; I574-F640 HydrophobicContact CD1-CD1 4.39Å; I574-F640 HydrophobicContact CD1-CD2 4.15Å; I574-F640 HydrophobicContact CD1-CE1 4.31Å; I574-F640 HydrophobicContact CD1-CE2 4.04Å; I574-F640 HydrophobicContact CD1-CG 4.3Å; I574-F640 HydrophobicContact CD1-CZ 4.12Å; I574-F640 HydrophobicContact CG2-CB 3.9Å; I574-F640 HydrophobicContact CG2-CD1 4.09Å; I574-F640 HydrophobicContact CG2-CG 3.98Å; I574-L669 HydrophobicContact CB-CD2 4.4Å; I574-L669 HydrophobicContact CG2-CD1 4.13Å
575	T	95.7	Very high	94.4	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.055	19%	0.186	C	C	.	.			trans	-142.3	170.3	-177.3	68.2	0	0	0	0	109.4	S572 Y577 N578 A579 S591	S572-T575 WeakPolarHBondContact O-CG2 3.44Å; T575-Y577 PolarHBondContact O-N 2.94Å; T575-Y577 PolarHBondContact OG1-N 2.82Å; T575-N578 PolarHBondContact N-OD1 2.98Å; T575-N578 PolarHBondContact O-N 2.98Å; T575-N578 PolarHBondContact O-OD1 3.22Å; T575-N578 PolarHBondContact OG1-OD1 3.13Å; T575-N578 VanDerWaalsContact OG1-OD1 3.07Å; T575-A579 VanDerWaalsContact O-CB 3.25Å; T575-A579 WeakPolarHBondContact O-CB 3.35Å; T575-A579 PolarHBondContact O-N 3.39Å; T575-S591 VanDerWaalsContact CG2-OG 3.31Å; T575-S591 WeakPolarHBondContact CG2-OG 3.46Å; T575-S591 WeakPolarHBondContact OG1-CB 3.22Å; T575-S591 PolarHBondContact OG1-OG 3.45Å
576	M	95.3	Very high	94.2	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.054	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.1	176.7	-65.4	-57.4	-74.8	0	0	113.3	I566 R601 E602 I605 V621 D623	I566-M576 HydrophobicContact CD1-CB 4.48Å; I566-M576 HydrophobicContact CD1-CG 3.85Å; I566-M576 VanDerWaalsContact CD1-N 3.34Å; I566-M576 HydrophobicContact CD1-SD 3.32Å; I566-M576 WeakPolarHBondContact CD1-SD 3.31Å; I566-M576 HydrophobicContact CG1-SD 3.85Å; M576-R601 HydrophobicContact CB-CG 4.28Å; M576-E602 WeakPolarHBondContact CB-O 3.02Å; M576-E602 WeakPolarHBondContact CE-O 3.34Å; M576-I605 HydrophobicContact CB-CD1 4.17Å; M576-I605 HydrophobicContact CE-CB 4.26Å; M576-I605 HydrophobicContact CE-CD1 3.39Å; M576-I605 HydrophobicContact CE-CG1 3.52Å; M576-I605 WeakPolarHBondContact O-CD1 3.27Å; M576-I605 HydrophobicContact SD-CD1 3.95Å; M576-V621 HydrophobicContact SD-CG1 4.29Å; M576-D623 HydrophobicContact CG-CB 3.91Å; M576-D623 HydrophobicContact SD-CB 4.1Å
577	Y	95.1	Very high	94.2	Very high	50 Å²	50	42 Å²	42	20%	0.196	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-31.8	177.2	-64.8	-76.2	0	0	0	114	T575 Q595 R601	T575-Y577 PolarHBondContact O-N 2.94Å; T575-Y577 PolarHBondContact OG1-N 2.82Å; Y577-Q595 HydrophobicContact CD1-CG 3.87Å; Y577-Q595 HydrophobicContact CD2-CG 4.12Å; Y577-Q595 HydrophobicContact CE1-CG 3.61Å; Y577-Q595 HydrophobicContact CE2-CG 3.86Å; Y577-Q595 HydrophobicContact CG-CG 4.1Å; Y577-R601 HydrophobicContact CE1-CB 3.75Å; Y577-R601 HydrophobicContact CE1-CG 4.44Å; Y577-R601 HydrophobicContact CE2-CB 4.43Å; Y577-R601 HydrophobicContact CE2-CG 4.42Å
578	N	95	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-1.5	-172	66.3	-13.7	0	0	0	113.5	L573 T575 R580 D581 I582 I589	L573-N578 PolarHBondContact O-ND2 3.12Å; T575-N578 PolarHBondContact N-OD1 2.98Å; T575-N578 PolarHBondContact O-N 2.98Å; T575-N578 PolarHBondContact O-OD1 3.22Å; T575-N578 PolarHBondContact OG1-OD1 3.13Å; T575-N578 VanDerWaalsContact OG1-OD1 3.07Å; N578-R580 PolarHBondContact O-N 2.84Å; N578-D581 WeakPolarHBondContact CA-OD2 3.31Å; N578-D581 PolarHBondContact O-N 2.71Å; N578-I582 HydrophobicContact CB-CD1 4.36Å; N578-I582 WeakPolarHBondContact O-CG1 3.16Å; N578-I582 PolarHBondContact O-N 2.81Å; N578-I589 VanDerWaalsContact CB-O 3.27Å; N578-I589 WeakPolarHBondContact CB-O 3.45Å; N578-I589 PolarHBondContact ND2-O 3.25Å
579	A	96.4	Very high	94.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-35.3	179.4	0	0	0	0	0	112.3	I566 I574 T575 L583 I605 V621	I566-A579 HydrophobicContact CD1-CB 4.14Å; I574-A579 HydrophobicContact CD1-CB 4.41Å; I574-A579 HydrophobicContact CG1-CB 4.19Å; T575-A579 VanDerWaalsContact O-CB 3.25Å; T575-A579 WeakPolarHBondContact O-CB 3.35Å; T575-A579 PolarHBondContact O-N 3.39Å; A579-L583 VanDerWaalsContact O-CB 3.28Å; A579-L583 WeakPolarHBondContact O-CB 3.44Å; A579-L583 VanDerWaalsContact O-CG 3.32Å; A579-L583 WeakPolarHBondContact O-CG 3.23Å; A579-L583 PolarHBondContact O-N 3.34Å; A579-I605 HydrophobicContact CB-CD1 4.33Å; A579-V621 HydrophobicContact CB-CG1 4.12Å
580	R	95.4	Very high	94.3	Very high	130 Å²	130	45.2 Å²	45.2	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-51.1	175.5	-167.8	172.2	-171.2	-167.5	-6.7	111.4	N578 I582 L583 E584 I605 I607	N578-R580 PolarHBondContact O-N 2.84Å; R580-I582 VanDerWaalsContact C-N 3.29Å; R580-I582 PolarHBondContact O-N 3.39Å; R580-L583 PolarHBondContact O-N 3.06Å; R580-E584 HydrophobicContact CG-CB 4.25Å; R580-E584 VanDerWaalsContact CG-OE2 3.26Å; R580-E584 WeakPolarHBondContact CG-OE2 3.07Å; R580-E584 IonicContact CZ-OE1 3.52Å; R580-E584 IonicContact CZ-OE2 2.85Å; R580-E584 IonicContact NE-OE1 2.68Å; R580-E584 IonicContact NE-OE2 3.73Å; R580-E584 PolarHBondContact NE-OE2 2.75Å; R580-E584 IonicContact NH2-OE1 3.52Å; R580-E584 PolarHBondContact NH2-OE1 2.95Å; R580-E584 IonicContact NH2-OE2 3.51Å; R580-E584 WeakPolarHBondContact O-CA 3.3Å; R580-E584 WeakPolarHBondContact O-CB 3.4Å; R580-E584 PolarHBondContact O-N 3.07Å; R580-I605 HydrophobicContact CB-CG2 4.36Å; R580-I607 HydrophobicContact CB-CG2 4.48Å; R580-I607 HydrophobicContact CG-CG2 4.24Å
581	D	94.7	Very high	94.5	Very high	14 Å²	14	40.6 Å²	40.6	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-38.2	-179.8	-48.8	-91.2	0	0	0	112.3	N578 D585 L586 R587 I589 K594	N578-D581 WeakPolarHBondContact CA-OD2 3.31Å; N578-D581 PolarHBondContact O-N 2.71Å; D581-D585 CarbonylContact O-C 3.59Å; D581-D585 WeakPolarHBondContact O-CB 3.47Å; D581-D585 PolarHBondContact O-N 2.81Å; D581-L586 PolarHBondContact O-N 2.79Å; D581-R587 CarbonylContact C-O 3.59Å; D581-R587 VanDerWaalsContact C-O 3.25Å; D581-R587 PolarHBondContact O-N 2.87Å; D581-R587 VanDerWaalsContact O-O 3.13Å; D581-I589 HydrophobicContact CB-CD1 4.07Å; D581-I589 HydrophobicContact CB-CG1 4.3Å; D581-K594 VanDerWaalsContact CG-CE 3.41Å; D581-K594 VanDerWaalsContact CG-NZ 3.27Å; D581-K594 VanDerWaalsContact OD1-CE 3.22Å; D581-K594 WeakPolarHBondContact OD1-CE 3.34Å; D581-K594 IonicContact OD1-NZ 3.5Å; D581-K594 PolarHBondContact OD1-NZ 3.18Å; D581-K594 WeakPolarHBondContact OD2-CE 3.38Å; D581-K594 IonicContact OD2-NZ 2.72Å; D581-K594 PolarHBondContact OD2-NZ 3.04Å; D581-K594 VanDerWaalsContact OD2-NZ 3.13Å
582	I	95.6	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.1	-42.5	-179.1	-69.3	168.7	0	0	0	111.7	I574 N578 R580 L586 R587 F588 F701	I574-I582 HydrophobicContact CB-CD1 4.16Å; I574-I582 HydrophobicContact CD1-CD1 4.48Å; I574-I582 HydrophobicContact CD1-CG2 4.24Å; I574-I582 HydrophobicContact CG1-CD1 4.08Å; N578-I582 HydrophobicContact CB-CD1 4.36Å; N578-I582 WeakPolarHBondContact O-CG1 3.16Å; N578-I582 PolarHBondContact O-N 2.81Å; R580-I582 VanDerWaalsContact C-N 3.29Å; R580-I582 PolarHBondContact O-N 3.39Å; I582-L586 WeakPolarHBondContact O-CA 3.21Å; I582-R587 WeakPolarHBondContact CA-O 3.37Å; I582-R587 PolarHBondContact N-O 3.31Å; I582-F588 HydrophobicContact CD1-CD2 3.81Å; I582-F588 HydrophobicContact CD1-CE2 4.11Å; I582-F588 HydrophobicContact CG1-CD2 4.14Å; I582-F701 HydrophobicContact CB-CZ 4.47Å; I582-F701 HydrophobicContact CG1-CE2 4.36Å; I582-F701 HydrophobicContact CG1-CZ 4.19Å; I582-F701 HydrophobicContact CG2-CD1 3.8Å; I582-F701 HydrophobicContact CG2-CD2 4.22Å; I582-F701 HydrophobicContact CG2-CE1 3.6Å; I582-F701 HydrophobicContact CG2-CE2 4.04Å; I582-F701 HydrophobicContact CG2-CG 4.11Å; I582-F701 HydrophobicContact CG2-CZ 3.72Å
583	L	95.7	Very high	94.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-93	-37.3	-171.4	-62.7	174.6	0	0	0	113.1	I564 I574 A579 R580 I607 V621 F640 I704 W705	I564-L583 HydrophobicContact CD1-CD1 4.27Å; I564-L583 HydrophobicContact CG2-CD1 4.49Å; I574-L583 HydrophobicContact CD1-CD1 4.45Å; I574-L583 HydrophobicContact CD1-CG 4.43Å; A579-L583 VanDerWaalsContact O-CB 3.28Å; A579-L583 WeakPolarHBondContact O-CB 3.44Å; A579-L583 VanDerWaalsContact O-CG 3.32Å; A579-L583 WeakPolarHBondContact O-CG 3.23Å; A579-L583 PolarHBondContact O-N 3.34Å; R580-L583 PolarHBondContact O-N 3.06Å; L583-I607 HydrophobicContact CB-CD1 3.52Å; L583-I607 HydrophobicContact CD1-CD1 3.85Å; L583-I607 HydrophobicContact CG-CD1 4.33Å; L583-V621 HydrophobicContact CD1-CG2 3.95Å; L583-F640 HydrophobicContact CD2-CE2 4.18Å; L583-F640 HydrophobicContact CD2-CZ 3.91Å; L583-I704 HydrophobicContact CD2-CD1 4.47Å; L583-W705 HydrophobicContact CB-CZ2 4.05Å; L583-W705 VanDerWaalsContact O-CZ2 3.23Å; L583-W705 WeakPolarHBondContact O-CZ2 3.27Å; L583-W705 PolarHBondContact O-NE1 2.73Å
584	E	94.3	Very high	94.3	Very high	49 Å²	49	47.3 Å²	47.3	23%	0.229	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-54.7	-179.3	-166.4	171.2	161.9	0	0	110.7	R580 I607	R580-E584 HydrophobicContact CG-CB 4.25Å; R580-E584 VanDerWaalsContact CG-OE2 3.26Å; R580-E584 WeakPolarHBondContact CG-OE2 3.07Å; R580-E584 IonicContact CZ-OE1 3.52Å; R580-E584 IonicContact CZ-OE2 2.85Å; R580-E584 IonicContact NE-OE1 2.68Å; R580-E584 IonicContact NE-OE2 3.73Å; R580-E584 PolarHBondContact NE-OE2 2.75Å; R580-E584 IonicContact NH2-OE1 3.52Å; R580-E584 PolarHBondContact NH2-OE1 2.95Å; R580-E584 IonicContact NH2-OE2 3.51Å; R580-E584 WeakPolarHBondContact O-CA 3.3Å; R580-E584 WeakPolarHBondContact O-CB 3.4Å; R580-E584 PolarHBondContact O-N 3.07Å; E584-I607 HydrophobicContact CB-CB 4.45Å
585	D	93.7	Very high	94.1	Very high	101 Å²	101	50.6 Å²	50.6	54%	0.54	23%	0.227	S	C	.	.	S	Bend	trans	-87	-8.6	-175.4	-56.7	-40.2	0	0	0	113.7	D581 R587	D581-D585 CarbonylContact O-C 3.59Å; D581-D585 WeakPolarHBondContact O-CB 3.47Å; D581-D585 PolarHBondContact O-N 2.81Å; D585-R587 PolarHBondContact O-N 3.38Å
586	L	94.6	Very high	93.9	Very high	22 Å²	22	54.4 Å²	54.4	12%	0.115	26%	0.26	C	S	.	.			trans	55.1	38.5	-177.2	-51.6	177.1	0	0	0	113.1	D581 I582 D697 K698 F701	D581-L586 PolarHBondContact O-N 2.79Å; I582-L586 WeakPolarHBondContact O-CA 3.21Å; L586-D697 CarbonylContact O-C 3.53Å; L586-K698 HydrophobicContact CB-CB 4.45Å; L586-K698 HydrophobicContact CB-CG 4.17Å; L586-K698 HydrophobicContact CD1-CG 4.02Å; L586-K698 WeakPolarHBondContact O-CA 3.46Å; L586-K698 PolarHBondContact O-N 3.03Å; L586-F701 HydrophobicContact CB-CB 4.36Å; L586-F701 HydrophobicContact CD2-CB 3.83Å
587	R	94.1	Very high	93.6	Very high	155 Å²	155	58 Å²	58	59%	0.585	29%	0.286	S	S	*	.			trans	-129	136.7	-179	-177.2	178.4	175.9	179.6	-1.4	111.2	D581 I582 D585 I589	D581-R587 CarbonylContact C-O 3.59Å; D581-R587 VanDerWaalsContact C-O 3.25Å; D581-R587 PolarHBondContact O-N 2.87Å; D581-R587 VanDerWaalsContact O-O 3.13Å; I582-R587 WeakPolarHBondContact CA-O 3.37Å; I582-R587 PolarHBondContact N-O 3.31Å; D585-R587 PolarHBondContact O-N 3.38Å; R587-I589 HydrophobicContact CG-CG1 4.47Å
588	F	95	Very high	93.3	Very high	9 Å²	9	58.5 Å²	58.5	4%	0.039	31%	0.306	C	S	.	.			trans	-85.6	120.7	176.2	-174	-109.7	0	0	0	111.2	L573 I582 K590 Y671 L690 D697 F701	L573-F588 HydrophobicContact CB-CE2 4.19Å; L573-F588 HydrophobicContact CB-CZ 4.4Å; L573-F588 HydrophobicContact CD2-CZ 4.34Å; L573-F588 WeakPolarHBondContact O-CE2 3.15Å; I582-F588 HydrophobicContact CD1-CD2 3.81Å; I582-F588 HydrophobicContact CD1-CE2 4.11Å; I582-F588 HydrophobicContact CG1-CD2 4.14Å; F588-K590 HydrophobicContact CE1-CG 3.98Å; F588-K590 HydrophobicContact CZ-CG 4.4Å; F588-Y671 HydrophobicContact CE1-CE1 4.12Å; F588-Y671 HydrophobicContact CZ-CE1 4.47Å; F588-L690 HydrophobicContact CD1-CD1 4.36Å; F588-L690 HydrophobicContact CD2-CD1 3.62Å; F588-L690 HydrophobicContact CE1-CD1 4.34Å; F588-L690 HydrophobicContact CE2-CD1 3.61Å; F588-L690 HydrophobicContact CG-CD1 4.01Å; F588-L690 HydrophobicContact CZ-CD1 3.98Å; F588-D697 WeakPolarHBondContact CB-OD2 2.93Å; F588-D697 PolarHBondContact N-OD2 3.32Å; F588-F701 HydrophobicContact CB-CE2 3.93Å; F588-F701 HydrophobicContact CB-CZ 3.99Å; F588-F701 HydrophobicContact CD2-CZ 4.17Å
589	I	93.1	Very high	92.8	Very high	25 Å²	25	63.1 Å²	63.1	13%	0.128	33%	0.329	C	S	.	.			trans	-123.5	138.2	169.1	-57.2	-179.6	0	0	0	108	N578 D581 R587 E593 K594	N578-I589 VanDerWaalsContact CB-O 3.27Å; N578-I589 WeakPolarHBondContact CB-O 3.45Å; N578-I589 PolarHBondContact ND2-O 3.25Å; D581-I589 HydrophobicContact CB-CD1 4.07Å; D581-I589 HydrophobicContact CB-CG1 4.3Å; R587-I589 HydrophobicContact CG-CG1 4.47Å; I589-E593 HydrophobicContact CG2-CB 4.2Å; I589-E593 HydrophobicContact CG2-CG 4.37Å; I589-K594 HydrophobicContact CG2-CG 3.93Å
590	K	92.7	Very high	92.4	Very high	108 Å²	108	73.7 Å²	73.7	47%	0.47	37%	0.369	S	S	.	.			trans	-73.7	142.4	179.5	-68	178.9	-178.6	174.3	0	110.6	F588 Q592 E593 K594	F588-K590 HydrophobicContact CE1-CG 3.98Å; F588-K590 HydrophobicContact CZ-CG 4.4Å; K590-Q592 PolarHBondContact O-N 3.05Å; K590-Q592 VanDerWaalsContact O-N 3.16Å; K590-E593 WeakPolarHBondContact O-CB 3.38Å; K590-E593 PolarHBondContact O-N 3.16Å; K590-K594 PolarHBondContact O-N 2.96Å
591	S	92.5	Very high	92.1	Very high	12 Å²	12	73 Å²	73	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-30.3	178.9	-40.5	0	0	0	0	113.7	T575 Q595	T575-S591 VanDerWaalsContact CG2-OG 3.31Å; T575-S591 WeakPolarHBondContact CG2-OG 3.46Å; T575-S591 WeakPolarHBondContact OG1-CB 3.22Å; T575-S591 PolarHBondContact OG1-OG 3.45Å; S591-Q595 WeakPolarHBondContact O-CG 3.35Å; S591-Q595 PolarHBondContact O-N 3.14Å; S591-Q595 VanDerWaalsContact O-N 3.14Å; S591-Q595 PolarHBondContact O-NE2 3.18Å
592	Q	92.2	Very high	91.9	Very high	134 Å²	134	77.4 Å²	77.4	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-68	-36.5	177.1	-64.8	-61.7	-34.6	0	0	112.1	K590 Q595 A596	K590-Q592 PolarHBondContact O-N 3.05Å; K590-Q592 VanDerWaalsContact O-N 3.16Å; Q592-Q595 PolarHBondContact O-N 3.37Å; Q592-A596 WeakPolarHBondContact O-CB 3.24Å; Q592-A596 PolarHBondContact O-N 3.33Å
593	E	92.7	Very high	91.6	Very high	121 Å²	121	82.2 Å²	82.2	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-68.5	-41.2	179.7	-169.8	177.5	166.1	0	0	111.2	I589 K590 A596 S597	I589-E593 HydrophobicContact CG2-CB 4.2Å; I589-E593 HydrophobicContact CG2-CG 4.37Å; K590-E593 WeakPolarHBondContact O-CB 3.38Å; K590-E593 PolarHBondContact O-N 3.16Å; E593-A596 PolarHBondContact O-N 3.06Å; E593-S597 PolarHBondContact O-N 3.3Å
594	K	92	Very high	91.5	Very high	39 Å²	39	86.7 Å²	86.7	17%	0.17	43%	0.433	C	S	.	.	H	α-helix	trans	-66.5	-35.1	173.6	-74.5	-73.6	-176.4	161.1	0	113.5	D581 I589 K590 S597 M599	D581-K594 VanDerWaalsContact CG-CE 3.41Å; D581-K594 VanDerWaalsContact CG-NZ 3.27Å; D581-K594 VanDerWaalsContact OD1-CE 3.22Å; D581-K594 WeakPolarHBondContact OD1-CE 3.34Å; D581-K594 IonicContact OD1-NZ 3.5Å; D581-K594 PolarHBondContact OD1-NZ 3.18Å; D581-K594 WeakPolarHBondContact OD2-CE 3.38Å; D581-K594 IonicContact OD2-NZ 2.72Å; D581-K594 PolarHBondContact OD2-NZ 3.04Å; D581-K594 VanDerWaalsContact OD2-NZ 3.13Å; I589-K594 HydrophobicContact CG2-CG 3.93Å; K590-K594 PolarHBondContact O-N 2.96Å; K594-S597 PolarHBondContact O-N 2.95Å; K594-S597 PolarHBondContact O-OG 3.41Å; K594-M599 VanDerWaalsContact O-CB 3.31Å; K594-M599 WeakPolarHBondContact O-CB 3.34Å; K594-M599 PolarHBondContact O-N 2.63Å
595	Q	90.7	Very high	91.5	Very high	72 Å²	72	84.8 Å²	84.8	34%	0.336	42%	0.424	S	S	.	.	H	α-helix	trans	-68.1	-40.9	173.7	-76.8	171.9	95.3	0	0	111	Y577 S591 Q592 S597 G598	Y577-Q595 HydrophobicContact CD1-CG 3.87Å; Y577-Q595 HydrophobicContact CD2-CG 4.12Å; Y577-Q595 HydrophobicContact CE1-CG 3.61Å; Y577-Q595 HydrophobicContact CE2-CG 3.86Å; Y577-Q595 HydrophobicContact CG-CG 4.1Å; S591-Q595 WeakPolarHBondContact O-CG 3.35Å; S591-Q595 PolarHBondContact O-N 3.14Å; S591-Q595 VanDerWaalsContact O-N 3.14Å; S591-Q595 PolarHBondContact O-NE2 3.18Å; Q592-Q595 PolarHBondContact O-N 3.37Å; Q595-S597 VanDerWaalsContact C-N 3.27Å; Q595-S597 PolarHBondContact O-N 3.37Å; Q595-G598 PolarHBondContact O-N 3.45Å
596	A	91	Very high	91.6	Very high	89 Å²	89	84.4 Å²	84.4	74%	0.736	42%	0.422	S	S	*	.	H	α-helix	trans	-63.6	-30.5	176	0	0	0	0	0	112.9	Q592 E593 G598	Q592-A596 WeakPolarHBondContact O-CB 3.24Å; Q592-A596 PolarHBondContact O-N 3.33Å; E593-A596 PolarHBondContact O-N 3.06Å; A596-G598 PolarHBondContact O-N 2.92Å
597	S	90.4	Very high	91.6	Very high	87 Å²	87	83.4 Å²	83.4	61%	0.608	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	5.2	173.4	73.6	0	0	0	0	114.2	E593 K594 Q595	E593-S597 PolarHBondContact O-N 3.3Å; K594-S597 PolarHBondContact O-N 2.95Å; K594-S597 PolarHBondContact O-OG 3.41Å; Q595-S597 VanDerWaalsContact C-N 3.27Å; Q595-S597 PolarHBondContact O-N 3.37Å
598	G	87.3	Confident	91.5	Very high	60 Å²	60	81 Å²	81	62%	0.619	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	11.3	177.3	0	0	0	0	0	115.3	Q595 A596 R600	Q595-G598 PolarHBondContact O-N 3.45Å; A596-G598 PolarHBondContact O-N 2.92Å; G598-R600 PolarHBondContact O-N 2.95Å
599	M	84.8	Confident	91.3	Very high	97 Å²	97	81.4 Å²	81.4	48%	0.478	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-68.7	126.7	178.2	-174.6	134.7	-94	0	0	110.5	K594	K594-M599 VanDerWaalsContact O-CB 3.31Å; K594-M599 WeakPolarHBondContact O-CB 3.34Å; K594-M599 PolarHBondContact O-N 2.63Å
600	R	87.5	Confident	91	Very high	222 Å²	222	86.6 Å²	86.6	84%	0.838	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-79.1	147.6	175.1	-66.3	-171.9	173	-168.2	-1.4	110.3	G598 E602	G598-R600 PolarHBondContact O-N 2.95Å; R600-E602 PolarHBondContact O-N 3.5Å
601	R	89.6	Confident	90.6	Very high	116 Å²	116	84.2 Å²	84.2	44%	0.438	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-70.3	125.1	175.6	-172.1	178.6	175.1	172.6	2.6	110.6	M576 Y577 D623	M576-R601 HydrophobicContact CB-CG 4.28Å; Y577-R601 HydrophobicContact CE1-CB 3.75Å; Y577-R601 HydrophobicContact CE1-CG 4.44Å; Y577-R601 HydrophobicContact CE2-CB 4.43Å; Y577-R601 HydrophobicContact CE2-CG 4.42Å; R601-D623 IonicContact CZ-OD2 3.33Å; R601-D623 IonicContact NE-OD2 2.63Å; R601-D623 IonicContact NH2-OD2 2.95Å; R601-D623 PolarHBondContact NH2-OD2 2.79Å
602	E	90.7	Very high	90.1	Very high	106 Å²	106	90.1 Å²	90.1	50%	0.495	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-91.6	146.4	168	-64.2	179.4	178.7	0	0	110.3	M576 R600 I605	M576-E602 WeakPolarHBondContact CB-O 3.02Å; M576-E602 WeakPolarHBondContact CE-O 3.34Å; R600-E602 PolarHBondContact O-N 3.5Å; E602-I605 HydrophobicContact CB-CG1 4.08Å
603	N	89.6	Confident	89.5	Confident	101 Å²	101	88.9 Å²	88.9	54%	0.54	47%	0.465	S	S	.	.	S	Bend	trans	-86	-19.1	175.5	-69.6	-25.2	0	0	0	112.4
604	E	93.2	Very high	89.1	Confident	95 Å²	95	86.1 Å²	86.1	44%	0.444	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	132.4	178.9	179.9	171.3	147	0	0	108.3	R620 V621 V622	E604-R620 VanDerWaalsContact CD-CD 3.45Å; E604-R620 HydrophobicContact CG-CG 3.73Å; E604-R620 WeakPolarHBondContact OE1-CD 3.34Å; E604-R620 VanDerWaalsContact OE1-CG 3.3Å; E604-R620 WeakPolarHBondContact OE1-CG 3.22Å; E604-R620 IonicContact OE1-CZ 3.59Å; E604-R620 IonicContact OE1-NE 3.43Å; E604-R620 PolarHBondContact OE1-NE 3.46Å; E604-R620 IonicContact OE2-CZ 3.99Å; E604-R620 IonicContact OE2-NE 3.4Å; E604-R620 PolarHBondContact OE2-NE 3.26Å; E604-R620 IonicContact OE2-NH2 2.66Å; E604-V621 WeakPolarHBondContact CA-O 3.21Å; E604-V622 HydrophobicContact CB-CG1 4.49Å; E604-V622 HydrophobicContact CG-CG1 4.13Å
605	I	94.9	Very high	88.8	Confident	9 Å²	9	90.7 Å²	90.7	5%	0.046	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.8	179.1	-60.8	155.8	0	0	0	108.1	M576 A579 R580 E602 I607 R620 V621	M576-I605 HydrophobicContact CB-CD1 4.17Å; M576-I605 HydrophobicContact CE-CB 4.26Å; M576-I605 HydrophobicContact CE-CD1 3.39Å; M576-I605 HydrophobicContact CE-CG1 3.52Å; M576-I605 WeakPolarHBondContact O-CD1 3.27Å; M576-I605 HydrophobicContact SD-CD1 3.95Å; A579-I605 HydrophobicContact CB-CD1 4.33Å; R580-I605 HydrophobicContact CB-CG2 4.36Å; E602-I605 HydrophobicContact CB-CG1 4.08Å; I605-I607 HydrophobicContact CG2-CG2 3.79Å; I605-R620 CarbonylContact O-C 3.56Å; I605-V621 HydrophobicContact CB-CB 4.3Å; I605-V621 PolarHBondContact N-O 3.02Å; I605-V621 PolarHBondContact O-N 3.3Å
606	L	95.1	Very high	88.6	Confident	94 Å²	94	90.1 Å²	90.1	49%	0.492	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	109.1	172.1	-169.9	72.3	0	0	0	109.1	I561 P618 Y619 R620	I561-L606 HydrophobicContact CG2-CD1 4.26Å; L606-P618 HydrophobicContact CD1-CB 4.05Å; L606-P618 HydrophobicContact CG-CB 4.44Å; L606-Y619 WeakPolarHBondContact CA-O 3.28Å; L606-R620 HydrophobicContact CD1-CB 4.49Å
607	I	94.9	Very high	88.6	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	149.5	178	66.5	175.8	0	0	0	110.6	R580 L583 E584 I605 P618 Y619 V621 W705	R580-I607 HydrophobicContact CB-CG2 4.48Å; R580-I607 HydrophobicContact CG-CG2 4.24Å; L583-I607 HydrophobicContact CB-CD1 3.52Å; L583-I607 HydrophobicContact CD1-CD1 3.85Å; L583-I607 HydrophobicContact CG-CD1 4.33Å; E584-I607 HydrophobicContact CB-CB 4.45Å; I605-I607 HydrophobicContact CG2-CG2 3.79Å; I607-P618 CarbonylContact O-C 3.42Å; I607-P618 WeakPolarHBondContact O-CA 3.27Å; I607-Y619 WeakPolarHBondContact CG1-O 3.4Å; I607-Y619 PolarHBondContact N-O 3.21Å; I607-Y619 PolarHBondContact O-N 2.9Å; I607-V621 HydrophobicContact CD1-CG2 3.95Å; I607-V621 HydrophobicContact CG1-CG2 4.22Å; I607-V621 HydrophobicContact CG2-CG2 4.14Å; I607-W705 HydrophobicContact CD1-CH2 3.91Å; I607-W705 HydrophobicContact CD1-CZ2 4.05Å
608	Q	92.5	Very high	88.8	Confident	105 Å²	105	84.8 Å²	84.8	49%	0.491	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.2	178.6	-75.2	-166.8	6.8	0	0	110.8	T616	Q608-T616 HydrophobicContact CB-CG2 3.58Å; Q608-T616 HydrophobicContact CG-CG2 4.08Å
609	R	90.8	Very high	89.2	Confident	17 Å²	17	82.2 Å²	82.2	6%	0.064	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.1	-179.4	-172.9	-150.9	177.6	-171.2	-12.4	110.9	K611 T616 V617 Y619 W705 D709	R609-K611 PolarHBondContact O-N 3.32Å; R609-T616 CarbonylContact O-C 3.57Å; R609-T616 WeakPolarHBondContact O-CA 3.4Å; R609-V617 PolarHBondContact N-O 2.9Å; R609-V617 PolarHBondContact O-N 3.33Å; R609-Y619 HydrophobicContact CB-CD2 3.88Å; R609-Y619 HydrophobicContact CB-CE2 3.83Å; R609-Y619 HydrophobicContact CG-CE2 4.42Å; R609-Y619 PolarHBondContact NH1-OH 3.17Å; R609-W705 HydrophobicContact CB-CH2 3.97Å; R609-W705 HydrophobicContact CB-CZ2 4.18Å; R609-W705 HydrophobicContact CB-CZ3 4.35Å; R609-W705 VanDerWaalsContact CD-CZ3 3.41Å; R609-W705 HydrophobicContact CG-CD2 4.02Å; R609-W705 HydrophobicContact CG-CE3 4.03Å; R609-W705 HydrophobicContact CG-CH2 3.88Å; R609-W705 HydrophobicContact CG-CZ2 3.86Å; R609-W705 HydrophobicContact CG-CZ3 3.98Å; R609-W705 VanDerWaalsContact CZ-CE3 3.5Å; R609-D709 IonicContact CZ-OD1 2.66Å; R609-D709 IonicContact CZ-OD2 3.63Å; R609-D709 VanDerWaalsContact NH1-CG 3.28Å; R609-D709 IonicContact NH1-OD1 3.58Å; R609-D709 PolarHBondContact NH1-OD1 3.39Å; R609-D709 IonicContact NH1-OD2 3.73Å; R609-D709 PolarHBondContact NH1-OD2 3.26Å; R609-D709 VanDerWaalsContact NH2-CG 3.29Å; R609-D709 IonicContact NH2-OD1 2.83Å; R609-D709 IonicContact NH2-OD2 2.93Å; R609-D709 PolarHBondContact NH2-OD2 3.4Å
610	H	87	Confident	89.7	Confident	135 Å²	135	79.1 Å²	79.1	63%	0.625	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	169.7	-65.4	-88.7	0	0	0	110.5	T616	H610-T616 PolarHBondContact CE1-OG1 3.43Å; H610-T616 PolarHBondContact ND1-OG1 2.96Å
611	K	83.9	Confident	90.2	Very high	58 Å²	58	68.6 Å²	68.6	25%	0.252	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-83.3	159.6	170.2	-66.9	-173	117.9	-176.7	0	110.3	R609 D613 G614 R615 V617	R609-K611 PolarHBondContact O-N 3.32Å; K611-D613 PolarHBondContact O-N 3.3Å; K611-G614 PolarHBondContact O-N 3.07Å; K611-R615 WeakPolarHBondContact CB-O 3.31Å; K611-R615 PolarHBondContact N-O 2.81Å; K611-V617 HydrophobicContact CD-CG2 3.75Å; K611-V617 HydrophobicContact CG-CG2 4.17Å
612	S	81.1	Confident	90.5	Very high	136 Å²	136	63.4 Å²	63.4	95%	0.951	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.2	172.2	49.4	0	0	0	0	113.6	G614	S612-G614 PolarHBondContact O-N 3.18Å
613	D	80.9	Confident	90.7	Very high	107 Å²	107	58.6 Å²	58.6	57%	0.572	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	9	174.4	-167.7	38.7	0	0	0	113.4	K611 R615	K611-D613 PolarHBondContact O-N 3.3Å; D613-R615 PolarHBondContact O-N 3.08Å; D613-R615 IonicContact OD2-CZ 3.8Å; D613-R615 IonicContact OD2-NE 3.57Å; D613-R615 PolarHBondContact OD2-NE 3.23Å; D613-R615 IonicContact OD2-NH2 3.64Å
614	G	82.4	Confident	90.8	Very high	63 Å²	63	57.1 Å²	57.1	65%	0.649	31%	0.306	S	S	*	.	S	Bend	trans	74.3	-11.7	-177.5	0	0	0	0	0	115.2	K611 S612	K611-G614 PolarHBondContact O-N 3.07Å; S612-G614 PolarHBondContact O-N 3.18Å
615	R	85.7	Confident	90.7	Very high	136 Å²	136	53.1 Å²	53.1	51%	0.513	29%	0.288	S	S	.	.			trans	-73.5	139.3	175.8	-56.5	-175.9	-160.9	-162.1	-6.1	111.5	K611 D613 S721	K611-R615 WeakPolarHBondContact CB-O 3.31Å; K611-R615 PolarHBondContact N-O 2.81Å; D613-R615 PolarHBondContact O-N 3.08Å; D613-R615 IonicContact OD2-CZ 3.8Å; D613-R615 IonicContact OD2-NE 3.57Å; D613-R615 PolarHBondContact OD2-NE 3.23Å; D613-R615 IonicContact OD2-NH2 3.64Å; R615-S721 PolarHBondContact NH1-OXT 2.95Å
616	T	88.1	Confident	90.3	Very high	60 Å²	60	58 Å²	58	37%	0.368	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.4	169.7	-54.5	0	0	0	0	109.9	Q608 R609 H610	Q608-T616 HydrophobicContact CB-CG2 3.58Å; Q608-T616 HydrophobicContact CG-CG2 4.08Å; R609-T616 CarbonylContact O-C 3.57Å; R609-T616 WeakPolarHBondContact O-CA 3.4Å; H610-T616 PolarHBondContact CE1-OG1 3.43Å; H610-T616 PolarHBondContact ND1-OG1 2.96Å
617	V	90.5	Very high	90	Very high	17 Å²	17	60.2 Å²	60.2	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.2	177.8	179	0	0	0	0	109.2	R609 K611 Y619	R609-V617 PolarHBondContact N-O 2.9Å; R609-V617 PolarHBondContact O-N 3.33Å; K611-V617 HydrophobicContact CD-CG2 3.75Å; K611-V617 HydrophobicContact CG-CG2 4.17Å; V617-Y619 HydrophobicContact CB-CE2 3.94Å; V617-Y619 HydrophobicContact CG1-CD2 4.16Å; V617-Y619 HydrophobicContact CG1-CE2 3.62Å; V617-Y619 WeakPolarHBondContact O-CD2 3.34Å
618	P	93.9	Very high	89.7	Confident	47 Å²	47	60.9 Å²	60.9	31%	0.305	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.2	174.7	29.4	-33.1	0	0	0	110.5	I561 P562 L606 I607	I561-P618 HydrophobicContact CG1-CG 4.32Å; I561-P618 HydrophobicContact CG2-CB 4.44Å; P562-P618 WeakPolarHBondContact CD-O 3.32Å; L606-P618 HydrophobicContact CD1-CB 4.05Å; L606-P618 HydrophobicContact CG-CB 4.44Å; I607-P618 CarbonylContact O-C 3.42Å; I607-P618 WeakPolarHBondContact O-CA 3.27Å
619	Y	95.7	Very high	89.5	Confident	6 Å²	6	61.7 Å²	61.7	2%	0.024	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141	169.4	-72.8	-108.1	0	0	0	109.1	P562 I564 L606 I607 R609 V617 V637 W705 L708 I712	P562-Y619 HydrophobicContact CB-CD1 3.69Å; P562-Y619 HydrophobicContact CB-CE1 3.67Å; P562-Y619 HydrophobicContact CG-CD1 3.31Å; P562-Y619 HydrophobicContact CG-CD2 4.16Å; P562-Y619 HydrophobicContact CG-CE1 3.31Å; P562-Y619 HydrophobicContact CG-CE2 4.17Å; P562-Y619 HydrophobicContact CG-CG 3.74Å; I564-Y619 HydrophobicContact CD1-CD1 3.9Å; I564-Y619 HydrophobicContact CD1-CG 4.43Å; I564-Y619 HydrophobicContact CG1-CD1 4.18Å; L606-Y619 WeakPolarHBondContact CA-O 3.28Å; I607-Y619 WeakPolarHBondContact CG1-O 3.4Å; I607-Y619 PolarHBondContact N-O 3.21Å; I607-Y619 PolarHBondContact O-N 2.9Å; R609-Y619 HydrophobicContact CB-CD2 3.88Å; R609-Y619 HydrophobicContact CB-CE2 3.83Å; R609-Y619 HydrophobicContact CG-CE2 4.42Å; R609-Y619 PolarHBondContact NH1-OH 3.17Å; V617-Y619 HydrophobicContact CB-CE2 3.94Å; V617-Y619 HydrophobicContact CG1-CD2 4.16Å; V617-Y619 HydrophobicContact CG1-CE2 3.62Å; V617-Y619 WeakPolarHBondContact O-CD2 3.34Å; Y619-V637 HydrophobicContact CD1-CG2 4.4Å; Y619-V637 HydrophobicContact CE1-CG2 4.21Å; Y619-W705 HydrophobicContact CD1-CH2 4.33Å; Y619-W705 HydrophobicContact CD1-CZ3 4.1Å; Y619-W705 HydrophobicContact CD2-CH2 4.02Å; Y619-W705 HydrophobicContact CD2-CZ3 4.1Å; Y619-W705 AromaticContact CE1-CZ3 3.86Å; Y619-W705 HydrophobicContact CE1-CZ3 3.86Å; Y619-W705 HydrophobicContact CE2-CH2 4.21Å; Y619-W705 AromaticContact CE2-CZ3 3.86Å; Y619-W705 HydrophobicContact CE2-CZ3 3.86Å; Y619-W705 HydrophobicContact CG-CH2 4.1Å; Y619-W705 HydrophobicContact CG-CZ3 4.23Å; Y619-W705 AromaticContact CZ-CZ3 3.74Å; Y619-L708 HydrophobicContact CE1-CD2 3.91Å; Y619-I712 HydrophobicContact CE1-CD1 4.18Å
620	R	96	Very high	89.2	Confident	32 Å²	32	67.4 Å²	67.4	12%	0.121	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	177.6	175.5	178.1	156.5	-161.5	-13.8	109.3	I561 P562 I563 I564 E604 I605 L606 V622 E632	I561-R620 HydrophobicContact CG2-CB 4.05Å; P562-R620 PolarHBondContact O-N 3.44Å; I563-R620 CarbonylContact C-O 3.54Å; I563-R620 VanDerWaalsContact CA-O 3.26Å; I563-R620 WeakPolarHBondContact CA-O 3.41Å; I563-R620 HydrophobicContact CG1-CB 4.29Å; I564-R620 PolarHBondContact N-O 3.1Å; E604-R620 VanDerWaalsContact CD-CD 3.45Å; E604-R620 HydrophobicContact CG-CG 3.73Å; E604-R620 WeakPolarHBondContact OE1-CD 3.34Å; E604-R620 VanDerWaalsContact OE1-CG 3.3Å; E604-R620 WeakPolarHBondContact OE1-CG 3.22Å; E604-R620 IonicContact OE1-CZ 3.59Å; E604-R620 IonicContact OE1-NE 3.43Å; E604-R620 PolarHBondContact OE1-NE 3.46Å; E604-R620 IonicContact OE2-CZ 3.99Å; E604-R620 IonicContact OE2-NE 3.4Å; E604-R620 PolarHBondContact OE2-NE 3.26Å; E604-R620 IonicContact OE2-NH2 2.66Å; I605-R620 CarbonylContact O-C 3.56Å; L606-R620 HydrophobicContact CD1-CB 4.49Å; R620-V622 HydrophobicContact CG-CG1 4.11Å; R620-E632 IonicContact CZ-OE1 3.6Å; R620-E632 IonicContact CZ-OE2 2.67Å; R620-E632 IonicContact NH1-OE1 3.66Å; R620-E632 PolarHBondContact NH1-OE1 3.46Å; R620-E632 IonicContact NH1-OE2 3.13Å; R620-E632 IonicContact NH2-OE1 3.91Å; R620-E632 PolarHBondContact NH2-OE1 3.26Å; R620-E632 IonicContact NH2-OE2 3.73Å; R620-E632 PolarHBondContact NH2-OE2 3.5Å
621	V	97.2	Very high	89.2	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.4	178.7	-173	0	0	0	0	109.2	I564 I566 M576 A579 L583 E604 I605 I607	I564-V621 HydrophobicContact CB-CG2 4.4Å; I564-V621 WeakPolarHBondContact O-CA 3.46Å; I566-V621 HydrophobicContact CD1-CG1 4.22Å; I566-V621 HydrophobicContact CG1-CG1 4.24Å; I566-V621 HydrophobicContact CG2-CG1 3.81Å; M576-V621 HydrophobicContact SD-CG1 4.29Å; A579-V621 HydrophobicContact CB-CG1 4.12Å; L583-V621 HydrophobicContact CD1-CG2 3.95Å; E604-V621 WeakPolarHBondContact CA-O 3.21Å; I605-V621 HydrophobicContact CB-CB 4.3Å; I605-V621 PolarHBondContact N-O 3.02Å; I605-V621 PolarHBondContact O-N 3.3Å; I607-V621 HydrophobicContact CD1-CG2 3.95Å; I607-V621 HydrophobicContact CG1-CG2 4.22Å; I607-V621 HydrophobicContact CG2-CG2 4.14Å
622	V	96.4	Very high	89.5	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.8	-178.2	-61.1	0	0	0	0	110.9	I563 I564 I565 I566 E604 R620 L628	I563-V622 HydrophobicContact CG2-CG2 3.73Å; I564-V622 PolarHBondContact O-N 3.2Å; I565-V622 CarbonylContact C-O 3.48Å; I565-V622 WeakPolarHBondContact CA-O 2.97Å; I565-V622 HydrophobicContact CG1-CG2 3.96Å; I566-V622 PolarHBondContact N-O 3.3Å; E604-V622 HydrophobicContact CB-CG1 4.49Å; E604-V622 HydrophobicContact CG-CG1 4.13Å; R620-V622 HydrophobicContact CG-CG1 4.11Å; V622-L628 HydrophobicContact CG2-CD1 4.21Å; V622-L628 HydrophobicContact CG2-CD2 4.29Å
623	D	94.9	Very high	90	Very high	5 Å²	5	57 Å²	57	3%	0.027	30%	0.302	C	S	.	.	S	Bend	trans	-112.2	-16.1	176.3	67.3	-9.5	0	0	0	114	I566 A568 M576 R601 P625	I566-D623 HydrophobicContact CG1-CB 4Å; I566-D623 WeakPolarHBondContact O-CA 3.5Å; A568-D623 HydrophobicContact CB-CB 4.28Å; M576-D623 HydrophobicContact CG-CB 3.91Å; M576-D623 HydrophobicContact SD-CB 4.1Å; R601-D623 IonicContact CZ-OD2 3.33Å; R601-D623 IonicContact NE-OD2 2.63Å; R601-D623 IonicContact NH2-OD2 2.95Å; R601-D623 PolarHBondContact NH2-OD2 2.79Å; D623-P625 WeakPolarHBondContact O-CD 3.41Å
624	Q	92.2	Very high	90.4	Very high	70 Å²	70	56.2 Å²	56.2	33%	0.327	30%	0.297	S	S	.	.			trans	-109.6	84.2	-177.1	-74.9	173.7	14.7	0	0	111.2	N626 K627	Q624-N626 PolarHBondContact O-N 2.79Å; Q624-N626 VanDerWaalsContact O-N 3.14Å; Q624-K627 HydrophobicContact CB-CD 4.29Å; Q624-K627 HydrophobicContact CB-CG 4.35Å; Q624-K627 PolarHBondContact O-N 2.83Å; Q624-K627 VanDerWaalsContact O-N 3.14Å; Q624-K627 VanDerWaalsContact OE1-CD 3.26Å
625	P	90.4	Very high	90.9	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.065	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28.7	-179.5	18.9	-30.1	0	0	0	113.5	I565 D623 K627 L628 W633 W651	I565-P625 HydrophobicContact CD1-CB 4.2Å; I565-P625 HydrophobicContact CG2-CG 4.5Å; D623-P625 WeakPolarHBondContact O-CD 3.41Å; P625-K627 PolarHBondContact O-N 2.82Å; P625-K627 VanDerWaalsContact O-N 3.17Å; P625-L628 WeakPolarHBondContact O-CB 3.49Å; P625-L628 PolarHBondContact O-N 3.01Å; P625-L628 VanDerWaalsContact O-N 3.12Å; P625-W633 HydrophobicContact CB-CH2 3.57Å; P625-W633 HydrophobicContact CB-CZ2 3.53Å; P625-W633 WeakPolarHBondContact O-CZ2 3.28Å; P625-W651 HydrophobicContact CB-CD2 4.32Å; P625-W651 HydrophobicContact CB-CG 4.44Å; P625-W651 HydrophobicContact CB-CZ2 4.33Å; P625-W651 HydrophobicContact CG-CD2 4.35Å; P625-W651 HydrophobicContact CG-CG 4.46Å; P625-W651 HydrophobicContact CG-CZ2 3.88Å
626	N	87.8	Confident	91.4	Very high	112 Å²	112	47.2 Å²	47.2	60%	0.599	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-68	-13.8	-178.9	-57.9	-25.4	0	0	0	113.9	Q624 G650	Q624-N626 PolarHBondContact O-N 2.79Å; Q624-N626 VanDerWaalsContact O-N 3.14Å; N626-G650 PolarHBondContact OD1-O 3.48Å
627	K	88	Confident	91.7	Very high	141 Å²	141	44.3 Å²	44.3	61%	0.613	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-90.3	-10.1	175.9	-70.5	-173.5	171.8	170.8	0	113.4	Q624 P625	Q624-K627 HydrophobicContact CB-CD 4.29Å; Q624-K627 HydrophobicContact CB-CG 4.35Å; Q624-K627 PolarHBondContact O-N 2.83Å; Q624-K627 VanDerWaalsContact O-N 3.14Å; Q624-K627 VanDerWaalsContact OE1-CD 3.26Å; P625-K627 PolarHBondContact O-N 2.82Å; P625-K627 VanDerWaalsContact O-N 3.17Å
628	L	89.5	Confident	92	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.068	22%	0.221	C	C	.	.	S	Bend	trans	-75.2	129.5	179	-63.9	177.9	0	0	0	110	I563 I565 V622 P625 E632 W633 V636	I563-L628 HydrophobicContact CD1-CD2 4.03Å; I563-L628 HydrophobicContact CG2-CD1 4.37Å; I565-L628 HydrophobicContact CD1-CD1 4.09Å; I565-L628 HydrophobicContact CG1-CD1 4.33Å; V622-L628 HydrophobicContact CG2-CD1 4.21Å; V622-L628 HydrophobicContact CG2-CD2 4.29Å; P625-L628 WeakPolarHBondContact O-CB 3.49Å; P625-L628 PolarHBondContact O-N 3.01Å; P625-L628 VanDerWaalsContact O-N 3.12Å; L628-E632 HydrophobicContact CB-CB 4.24Å; L628-E632 HydrophobicContact CD2-CB 4.25Å; L628-E632 WeakPolarHBondContact CD2-OE2 3.41Å; L628-W633 HydrophobicContact CD1-CD2 4.46Å; L628-W633 HydrophobicContact CD1-CZ2 4.26Å; L628-W633 PolarHBondContact O-NE1 3.43Å; L628-V636 HydrophobicContact CD1-CG2 3.87Å
629	L	87.4	Confident	92.1	Very high	123 Å²	123	41.3 Å²	41.3	64%	0.644	21%	0.206	S	C	*	.			trans	-69.1	160.1	173	-49.8	164.9	0	0	0	110	D631 E632 W633	L629-D631 PolarHBondContact O-N 3.14Å; L629-E632 HydrophobicContact CB-CG 3.92Å; L629-E632 HydrophobicContact CG-CG 4.38Å; L629-E632 PolarHBondContact N-OE2 3.18Å; L629-E632 WeakPolarHBondContact O-CA 3.36Å; L629-E632 WeakPolarHBondContact O-CB 3.48Å; L629-E632 PolarHBondContact O-N 3.45Å; L629-W633 VanDerWaalsContact O-CD1 3.29Å; L629-W633 PolarHBondContact O-N 3.06Å
630	L	84.4	Confident	92.2	Very high	136 Å²	136	41.1 Å²	41.1	71%	0.712	21%	0.206	S	C	*	.	H	α-helix	trans	-57.1	-35.9	-178.5	-167.3	61.9	0	0	0	112.9	E632 W633	L630-E632 VanDerWaalsContact C-N 3.34Å; L630-W633 PolarHBondContact O-N 3.13Å
631	D	86	Confident	92.1	Very high	81 Å²	81	39.8 Å²	39.8	43%	0.433	20%	0.201	S	C	.	.	H	α-helix	trans	-68.4	-31.2	173.9	-175.1	52.1	0	0	0	112.8	L629 W633 N634 R635	L629-D631 PolarHBondContact O-N 3.14Å; D631-W633 VanDerWaalsContact C-N 3.33Å; D631-W633 PolarHBondContact O-N 3.16Å; D631-N634 WeakPolarHBondContact O-CB 3.37Å; D631-N634 PolarHBondContact O-N 2.75Å; D631-R635 IonicContact OD2-NH1 3.72Å; D631-R635 PolarHBondContact OD2-NH1 3.25Å
632	E	91.5	Very high	91.9	Very high	26 Å²	26	41.7 Å²	41.7	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-72.1	-29.5	178.2	-46.8	-157.1	116.6	0	0	112.1	I563 R620 L628 L629 L630 N634 R635 V636	I563-E632 HydrophobicContact CD1-CB 3.84Å; R620-E632 IonicContact CZ-OE1 3.6Å; R620-E632 IonicContact CZ-OE2 2.67Å; R620-E632 IonicContact NH1-OE1 3.66Å; R620-E632 PolarHBondContact NH1-OE1 3.46Å; R620-E632 IonicContact NH1-OE2 3.13Å; R620-E632 IonicContact NH2-OE1 3.91Å; R620-E632 PolarHBondContact NH2-OE1 3.26Å; R620-E632 IonicContact NH2-OE2 3.73Å; R620-E632 PolarHBondContact NH2-OE2 3.5Å; L628-E632 HydrophobicContact CB-CB 4.24Å; L628-E632 HydrophobicContact CD2-CB 4.25Å; L628-E632 WeakPolarHBondContact CD2-OE2 3.41Å; L629-E632 HydrophobicContact CB-CG 3.92Å; L629-E632 HydrophobicContact CG-CG 4.38Å; L629-E632 PolarHBondContact N-OE2 3.18Å; L629-E632 WeakPolarHBondContact O-CA 3.36Å; L629-E632 WeakPolarHBondContact O-CB 3.48Å; L629-E632 PolarHBondContact O-N 3.45Å; L630-E632 VanDerWaalsContact C-N 3.34Å; E632-N634 PolarHBondContact O-N 2.97Å; E632-R635 WeakPolarHBondContact O-CA 3.18Å; E632-R635 WeakPolarHBondContact O-CB 3.44Å; E632-R635 PolarHBondContact O-N 3.1Å; E632-R635 IonicContact OE1-NH2 2.72Å; E632-R635 PolarHBondContact OE1-NH2 3.08Å; E632-V636 PolarHBondContact O-N 3.08Å
633	W	91.2	Very high	91.5	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-32.6	175	-82.1	97.3	0	0	0	113	I565 P625 L628 L629 L630 D631 R635 V636 W651 P652 I653 K716	I565-W633 HydrophobicContact CD1-CH2 3.82Å; I565-W633 HydrophobicContact CD1-CZ3 3.74Å; P625-W633 HydrophobicContact CB-CH2 3.57Å; P625-W633 HydrophobicContact CB-CZ2 3.53Å; P625-W633 WeakPolarHBondContact O-CZ2 3.28Å; L628-W633 HydrophobicContact CD1-CD2 4.46Å; L628-W633 HydrophobicContact CD1-CZ2 4.26Å; L628-W633 PolarHBondContact O-NE1 3.43Å; L629-W633 VanDerWaalsContact O-CD1 3.29Å; L629-W633 PolarHBondContact O-N 3.06Å; L630-W633 PolarHBondContact O-N 3.13Å; D631-W633 VanDerWaalsContact C-N 3.33Å; D631-W633 PolarHBondContact O-N 3.16Å; W633-R635 PolarHBondContact O-N 2.75Å; W633-R635 VanDerWaalsContact O-N 3.13Å; W633-V636 HydrophobicContact CD2-CG2 4.35Å; W633-V636 HydrophobicContact CE3-CB 4.33Å; W633-V636 HydrophobicContact CE3-CG2 3.87Å; W633-V636 HydrophobicContact CZ3-CG2 4.41Å; W633-V636 WeakPolarHBondContact O-CB 3.37Å; W633-V636 PolarHBondContact O-N 3.22Å; W633-V636 VanDerWaalsContact O-N 3.12Å; W633-W651 HydrophobicContact CH2-CB 4.18Å; W633-W651 AromaticContact CH2-CD2 3.82Å; W633-W651 HydrophobicContact CH2-CD2 3.82Å; W633-W651 AromaticContact CH2-CE3 3.71Å; W633-W651 HydrophobicContact CH2-CE3 3.71Å; W633-W651 HydrophobicContact CH2-CG 4.05Å; W633-W651 HydrophobicContact CH2-CZ3 4.32Å; W633-W651 AromaticContact CZ3-CE3 3.97Å; W633-W651 HydrophobicContact CZ3-CE3 3.97Å; W633-W651 HydrophobicContact CZ3-CZ3 4.37Å; W633-P652 HydrophobicContact CD2-CG 3.89Å; W633-P652 HydrophobicContact CG-CG 4.05Å; W633-P652 HydrophobicContact CZ2-CG 3.62Å; W633-I653 HydrophobicContact CB-CD1 4.29Å; W633-I653 HydrophobicContact CB-CG1 4.47Å; W633-I653 HydrophobicContact CD2-CD1 4.06Å; W633-I653 HydrophobicContact CD2-CG1 4.14Å; W633-I653 HydrophobicContact CE3-CD1 3.31Å; W633-I653 HydrophobicContact CE3-CG1 3.78Å; W633-I653 HydrophobicContact CG-CD1 4.49Å; W633-I653 HydrophobicContact CG-CG1 4.46Å; W633-I653 HydrophobicContact CZ3-CD1 3.9Å; W633-I653 HydrophobicContact CZ3-CG1 4.31Å; W633-K716 PolarHBondContact O-NZ 3.16Å
634	N	90.1	Very high	91.3	Very high	89 Å²	89	45.2 Å²	45.2	48%	0.476	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.6	171.2	-68.1	-31.3	0	0	0	111.6	D631 E632 K716 F718	D631-N634 WeakPolarHBondContact O-CB 3.37Å; D631-N634 PolarHBondContact O-N 2.75Å; E632-N634 PolarHBondContact O-N 2.97Å; N634-K716 VanDerWaalsContact O-CD 3.31Å; N634-K716 WeakPolarHBondContact O-CD 3.41Å; N634-K716 VanDerWaalsContact O-CE 3.3Å; N634-K716 WeakPolarHBondContact O-CE 3.44Å; N634-K716 PolarHBondContact O-NZ 3.3Å; N634-F718 HydrophobicContact CB-CZ 4.31Å; N634-F718 WeakPolarHBondContact O-CZ 3.4Å
635	R	92.8	Very high	91.2	Very high	10 Å²	10	44.3 Å²	44.3	4%	0.038	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.9	-179.1	-46.8	-167.2	-61.2	-103.7	-1.1	114.4	S559 P562 I563 D631 E632 W633 V637 L719	S559-R635 WeakPolarHBondContact O-CD 3.13Å; S559-R635 PolarHBondContact O-NE 2.96Å; S559-R635 PolarHBondContact OG-NE 3.16Å; S559-R635 PolarHBondContact OG-NH1 3.29Å; S559-R635 PolarHBondContact OG-NH2 3.3Å; S559-R635 VanDerWaalsContact OG-NH2 3.08Å; P562-R635 WeakPolarHBondContact CA-O 3.25Å; I563-R635 HydrophobicContact CD1-CB 4.28Å; I563-R635 HydrophobicContact CG1-CB 4.2Å; I563-R635 PolarHBondContact N-O 3.4Å; D631-R635 IonicContact OD2-NH1 3.72Å; D631-R635 PolarHBondContact OD2-NH1 3.25Å; E632-R635 WeakPolarHBondContact O-CA 3.18Å; E632-R635 WeakPolarHBondContact O-CB 3.44Å; E632-R635 PolarHBondContact O-N 3.1Å; E632-R635 IonicContact OE1-NH2 2.72Å; E632-R635 PolarHBondContact OE1-NH2 3.08Å; W633-R635 PolarHBondContact O-N 2.75Å; W633-R635 VanDerWaalsContact O-N 3.13Å; R635-V637 PolarHBondContact O-N 3.23Å; R635-L719 HydrophobicContact CB-CD2 4.23Å; R635-L719 HydrophobicContact CG-CD2 4.07Å
636	V	94.9	Very high	91.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	111.9	178.3	175.3	0	0	0	0	110.1	I563 I565 L628 E632 W633 V639 V664 K716	I563-V636 HydrophobicContact CB-CG2 4.1Å; I563-V636 HydrophobicContact CG2-CG2 4.17Å; I563-V636 CarbonylContact O-C 3.55Å; I563-V636 WeakPolarHBondContact O-CA 3.35Å; I565-V636 HydrophobicContact CD1-CB 4.43Å; I565-V636 HydrophobicContact CD1-CG1 3.55Å; I565-V636 HydrophobicContact CD1-CG2 3.96Å; I565-V636 HydrophobicContact CG1-CG1 4.05Å; I565-V636 HydrophobicContact CG1-CG2 4.46Å; L628-V636 HydrophobicContact CD1-CG2 3.87Å; E632-V636 PolarHBondContact O-N 3.08Å; W633-V636 HydrophobicContact CD2-CG2 4.35Å; W633-V636 HydrophobicContact CE3-CB 4.33Å; W633-V636 HydrophobicContact CE3-CG2 3.87Å; W633-V636 HydrophobicContact CZ3-CG2 4.41Å; W633-V636 WeakPolarHBondContact O-CB 3.37Å; W633-V636 PolarHBondContact O-N 3.22Å; W633-V636 VanDerWaalsContact O-N 3.12Å; V636-V639 HydrophobicContact CG1-CG2 4.37Å; V636-V664 HydrophobicContact CG1-CG1 3.94Å; V636-V664 HydrophobicContact CG1-CG2 4.11Å; V636-K716 PolarHBondContact O-NZ 3.35Å
637	V	95.3	Very high	91.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-29.2	-174.5	-66.9	0	0	0	0	113	P562 I563 I564 Y619 R635 K665 L708 I712 K716 L719	P562-V637 HydrophobicContact CB-CG1 3.83Å; P562-V637 HydrophobicContact CB-CG2 3.83Å; I563-V637 WeakPolarHBondContact O-CG2 3.48Å; I563-V637 PolarHBondContact O-N 3.01Å; I564-V637 HydrophobicContact CG1-CG2 4.2Å; Y619-V637 HydrophobicContact CD1-CG2 4.4Å; Y619-V637 HydrophobicContact CE1-CG2 4.21Å; R635-V637 PolarHBondContact O-N 3.23Å; V637-K665 PolarHBondContact O-N 3.27Å; V637-K665 VanDerWaalsContact O-N 3.14Å; V637-L708 HydrophobicContact CB-CD1 3.83Å; V637-L708 HydrophobicContact CG2-CD1 3.85Å; V637-L708 HydrophobicContact CG2-CD2 4.18Å; V637-L708 HydrophobicContact CG2-CG 4.4Å; V637-I712 HydrophobicContact CB-CD1 4.13Å; V637-I712 HydrophobicContact CB-CG1 4.02Å; V637-I712 HydrophobicContact CG1-CD1 3.92Å; V637-I712 HydrophobicContact CG1-CG1 3.72Å; V637-I712 HydrophobicContact CG2-CD1 4.33Å; V637-K716 HydrophobicContact CG1-CD 4.26Å; V637-L719 HydrophobicContact CG1-CD1 3.56Å
638	A	96.6	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.1	-178.6	0	0	0	0	0	112.9	I564 I565 K665 F667 L708	I564-A638 WeakPolarHBondContact CA-O 3.29Å; I564-A638 HydrophobicContact CG1-CB 4.31Å; I564-A638 HydrophobicContact CG2-CB 4.32Å; I565-A638 PolarHBondContact N-O 2.88Å; A638-K665 CarbonylContact C-O 3.53Å; A638-K665 WeakPolarHBondContact CA-O 3.47Å; A638-F667 HydrophobicContact CB-CD2 4.07Å; A638-F667 HydrophobicContact CB-CE2 3.82Å; A638-L708 HydrophobicContact CB-CD1 3.79Å; A638-L708 HydrophobicContact CB-CD2 4.5Å
639	V	96.5	Very high	91.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.5	174.6	167	0	0	0	0	109.1	I565 V636 V641 F648 W651 F661 V664 K665 G666 F667	I565-V639 HydrophobicContact CB-CG2 4.03Å; I565-V639 HydrophobicContact CD1-CG2 4.11Å; I565-V639 CarbonylContact O-C 3.59Å; I565-V639 WeakPolarHBondContact O-CA 3.44Å; V636-V639 HydrophobicContact CG1-CG2 4.37Å; V639-V641 HydrophobicContact CG1-CG1 3.89Å; V639-F648 HydrophobicContact CG1-CE1 4.26Å; V639-W651 HydrophobicContact CB-CH2 4.39Å; V639-W651 HydrophobicContact CG1-CH2 3.61Å; V639-W651 HydrophobicContact CG1-CZ3 4.23Å; V639-W651 HydrophobicContact CG2-CH2 3.78Å; V639-W651 HydrophobicContact CG2-CZ3 3.81Å; V639-F661 HydrophobicContact CG1-CE1 4.46Å; V639-V664 HydrophobicContact CB-CG1 4.26Å; V639-V664 HydrophobicContact CG2-CG1 3.68Å; V639-K665 PolarHBondContact N-O 2.95Å; V639-G666 CarbonylContact O-C 3.5Å; V639-G666 WeakPolarHBondContact O-CA 3.37Å; V639-F667 PolarHBondContact O-N 3.46Å
640	F	96.9	Very high	91.2	Very high	2 Å²	2	44 Å²	44	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.3	167.6	-71.6	-86.4	0	0	0	110.6	I564 I565 I566 P567 I574 L583 Q647 F667 L669 I704	I564-F640 HydrophobicContact CG2-CD2 3.85Å; I564-F640 HydrophobicContact CG2-CE2 3.62Å; I565-F640 PolarHBondContact O-N 2.98Å; I566-F640 HydrophobicContact CG2-CB 4.41Å; I566-F640 HydrophobicContact CG2-CD2 3.75Å; I566-F640 HydrophobicContact CG2-CE2 4.47Å; I566-F640 HydrophobicContact CG2-CG 4.36Å; P567-F640 WeakPolarHBondContact CD-O 3.41Å; I574-F640 HydrophobicContact CD1-CD1 4.39Å; I574-F640 HydrophobicContact CD1-CD2 4.15Å; I574-F640 HydrophobicContact CD1-CE1 4.31Å; I574-F640 HydrophobicContact CD1-CE2 4.04Å; I574-F640 HydrophobicContact CD1-CG 4.3Å; I574-F640 HydrophobicContact CD1-CZ 4.12Å; I574-F640 HydrophobicContact CG2-CB 3.9Å; I574-F640 HydrophobicContact CG2-CD1 4.09Å; I574-F640 HydrophobicContact CG2-CG 3.98Å; L583-F640 HydrophobicContact CD2-CE2 4.18Å; L583-F640 HydrophobicContact CD2-CZ 3.91Å; F640-Q647 PolarHBondContact O-NE2 3.48Å; F640-F667 CarbonylContact C-O 3.14Å; F640-F667 VanDerWaalsContact CA-O 3.3Å; F640-F667 WeakPolarHBondContact CA-O 3.45Å; F640-F667 HydrophobicContact CD1-CB 3.61Å; F640-F667 HydrophobicContact CE1-CB 3.52Å; F640-F667 HydrophobicContact CE1-CD2 4.44Å; F640-F667 HydrophobicContact CE1-CG 4.15Å; F640-F667 HydrophobicContact CG-CB 4.4Å; F640-F667 HydrophobicContact CZ-CB 4.27Å; F640-F667 HydrophobicContact CZ-CD2 4.38Å; F640-F667 HydrophobicContact CZ-CG 4.49Å; F640-L669 HydrophobicContact CD1-CD1 3.18Å; F640-L669 HydrophobicContact CE1-CD1 3.29Å; F640-L669 HydrophobicContact CG-CD1 4.38Å; F640-I704 HydrophobicContact CE1-CD1 4.11Å; F640-I704 HydrophobicContact CZ-CD1 4.06Å; F640-I704 HydrophobicContact CZ-CG2 4.24Å
641	V	95.4	Very high	91.4	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.03	20%	0.197	C	C	.	.			trans	-117.8	141.5	-174.3	-51.8	0	0	0	0	111.2	V639 F648 F661 F667 H668 W683 V685	V639-V641 HydrophobicContact CG1-CG1 3.89Å; V641-F648 HydrophobicContact CB-CZ 4.33Å; V641-F648 HydrophobicContact CG1-CE1 4.08Å; V641-F648 HydrophobicContact CG1-CZ 3.74Å; V641-F661 HydrophobicContact CG1-CE1 3.85Å; V641-F661 HydrophobicContact CG1-CZ 3.52Å; V641-F667 PolarHBondContact N-O 3.41Å; V641-H668 HydrophobicContact CG2-CB 3.79Å; V641-H668 PolarHBondContact O-ND1 3.44Å; V641-W683 HydrophobicContact CG2-CE3 4.46Å; V641-V685 HydrophobicContact CG2-CB 4.47Å; V641-V685 HydrophobicContact CG2-CG1 4.29Å; V641-V685 HydrophobicContact CG2-CG2 4.32Å
642	Q	91.3	Very high	91.3	Very high	40 Å²	40	38 Å²	38	19%	0.187	20%	0.2	C	C	.	.			trans	-94	-24.7	175.5	-170.8	175.5	3	0	0	112.9	T571 H668	T571-Q642 PolarHBondContact OG1-NE2 3.3Å; Q642-H668 PolarHBondContact O-CE1 2.98Å
643	G	89.6	Confident	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	118	-10.7	178.9	0	0	0	0	0	115.3	N679 W683	G643-N679 WeakPolarHBondContact O-CB 3.47Å; G643-N679 PolarHBondContact O-ND2 3.18Å; G643-W683 WeakPolarHBondContact O-CH2 3.42Å
644	Q	90.3	Very high	90.4	Very high	87 Å²	87	40.3 Å²	40.3	41%	0.407	22%	0.215	S	C	.	.			trans	-92.7	121.5	178.1	-53.9	-178	37.2	0	0	110.3	W646 Q647	Q644-W646 HydrophobicContact CB-CD2 4.42Å; Q644-W646 HydrophobicContact CB-CG 4.33Å; Q644-W646 HydrophobicContact CB-CZ2 4.23Å; Q644-W646 PolarHBondContact O-N 3.42Å; Q644-W646 VanDerWaalsContact O-N 3.14Å; Q644-W646 VanDerWaalsContact OE1-CE2 3.28Å; Q644-Q647 WeakPolarHBondContact O-CB 3.49Å; Q644-Q647 PolarHBondContact O-N 3.05Å
645	A	88.8	Confident	90.4	Very high	51 Å²	51	39.3 Å²	39.3	42%	0.421	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-60.9	-26.2	-174.3	0	0	0	0	0	113.8	Q647 F648 W683	A645-Q647 PolarHBondContact O-N 3.15Å; A645-Q647 VanDerWaalsContact O-N 3.1Å; A645-F648 WeakPolarHBondContact O-CD2 3.33Å; A645-F648 PolarHBondContact O-N 3.19Å; A645-W683 HydrophobicContact CB-CH2 4.4Å; A645-W683 HydrophobicContact CB-CZ2 4.02Å
646	W	89	Confident	90.3	Very high	152 Å²	152	42.6 Å²	42.6	58%	0.576	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-62.9	-16.3	176.2	64.3	-105.9	0	0	0	113.2	Q644 F648 K649	Q644-W646 HydrophobicContact CB-CD2 4.42Å; Q644-W646 HydrophobicContact CB-CG 4.33Å; Q644-W646 HydrophobicContact CB-CZ2 4.23Å; Q644-W646 PolarHBondContact O-N 3.42Å; Q644-W646 VanDerWaalsContact O-N 3.14Å; Q644-W646 VanDerWaalsContact OE1-CE2 3.28Å; W646-F648 PolarHBondContact O-N 3.34Å; W646-F648 VanDerWaalsContact O-N 3.1Å; W646-K649 VanDerWaalsContact O-CB 3.28Å; W646-K649 WeakPolarHBondContact O-CB 2.75Å; W646-K649 PolarHBondContact O-N 3.5Å
647	Q	89.8	Confident	90.1	Very high	21 Å²	21	43.3 Å²	43.3	10%	0.098	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-52.2	-32.2	174	-179.5	178.3	-18.1	0	0	112	F640 Q644 A645 W651	F640-Q647 PolarHBondContact O-NE2 3.48Å; Q644-Q647 WeakPolarHBondContact O-CB 3.49Å; Q644-Q647 PolarHBondContact O-N 3.05Å; A645-Q647 PolarHBondContact O-N 3.15Å; A645-Q647 VanDerWaalsContact O-N 3.1Å; Q647-W651 PolarHBondContact O-NE1 3.1Å
648	F	91.4	Very high	89.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-93.7	-1.9	-176.4	-47.3	-61.1	0	0	0	113.8	V639 V641 A645 W646 G650 W651 P657 I660 F661 W683	V639-F648 HydrophobicContact CG1-CE1 4.26Å; V641-F648 HydrophobicContact CB-CZ 4.33Å; V641-F648 HydrophobicContact CG1-CE1 4.08Å; V641-F648 HydrophobicContact CG1-CZ 3.74Å; A645-F648 WeakPolarHBondContact O-CD2 3.33Å; A645-F648 PolarHBondContact O-N 3.19Å; W646-F648 PolarHBondContact O-N 3.34Å; W646-F648 VanDerWaalsContact O-N 3.1Å; F648-G650 PolarHBondContact O-N 3.04Å; F648-W651 HydrophobicContact CB-CD2 4.47Å; F648-W651 HydrophobicContact CD1-CD2 4.32Å; F648-W651 HydrophobicContact CD1-CE3 4.12Å; F648-W651 AromaticContact CD1-CH2 3.67Å; F648-W651 HydrophobicContact CD1-CH2 3.67Å; F648-W651 AromaticContact CD1-CZ2 3.83Å; F648-W651 HydrophobicContact CD1-CZ2 3.83Å; F648-W651 AromaticContact CD1-CZ3 3.8Å; F648-W651 HydrophobicContact CD1-CZ3 3.8Å; F648-W651 AromaticContact CE1-CH2 3.97Å; F648-W651 HydrophobicContact CE1-CH2 3.97Å; F648-W651 HydrophobicContact CE1-CZ2 4.35Å; F648-W651 HydrophobicContact CE1-CZ3 4.31Å; F648-W651 PolarHBondContact O-N 3.47Å; F648-P657 HydrophobicContact CD2-CB 4.29Å; F648-P657 HydrophobicContact CD2-CG 3.7Å; F648-P657 HydrophobicContact CE2-CB 4.13Å; F648-P657 HydrophobicContact CE2-CG 3.85Å; F648-I660 HydrophobicContact CB-CD1 3.58Å; F648-I660 HydrophobicContact CD1-CD1 3.7Å; F648-I660 HydrophobicContact CG-CD1 3.65Å; F648-F661 HydrophobicContact CE1-CZ 4Å; F648-F661 HydrophobicContact CE2-CZ 4.39Å; F648-F661 HydrophobicContact CZ-CE2 4.26Å; F648-F661 AromaticContact CZ-CZ 3.63Å; F648-F661 HydrophobicContact CZ-CZ 3.63Å; F648-W683 HydrophobicContact CE2-CE3 4.37Å; F648-W683 AromaticContact CE2-CH2 3.7Å; F648-W683 HydrophobicContact CE2-CH2 3.7Å; F648-W683 HydrophobicContact CE2-CZ2 4.08Å; F648-W683 AromaticContact CE2-CZ3 3.85Å; F648-W683 HydrophobicContact CE2-CZ3 3.85Å; F648-W683 HydrophobicContact CZ-CH2 4.43Å; F648-W683 HydrophobicContact CZ-CZ3 4.14Å
649	K	89	Confident	89.7	Confident	166 Å²	166	49.2 Å²	49.2	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	126	-177.3	-173.3	175.6	-179.5	175.8	0	110.5	W646	W646-K649 VanDerWaalsContact O-CB 3.28Å; W646-K649 WeakPolarHBondContact O-CB 2.75Å; W646-K649 PolarHBondContact O-N 3.5Å
650	G	84.8	Confident	89.5	Confident	53 Å²	53	49.4 Å²	49.4	55%	0.546	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	6.1	177.5	0	0	0	0	0	114.8	N626 F648	N626-G650 PolarHBondContact OD1-O 3.48Å; F648-G650 PolarHBondContact O-N 3.04Å
651	W	89.3	Confident	89.4	Confident	16 Å²	16	49.7 Å²	49.7	6%	0.061	28%	0.283	C	S	.	.			trans	-68.9	140.4	172.2	-69.7	22.1	0	0	0	110	I565 P625 W633 V639 Q647 F648 I653 I660	I565-W651 HydrophobicContact CD1-CH2 4.44Å; I565-W651 HydrophobicContact CG2-CH2 4.23Å; I565-W651 HydrophobicContact CG2-CZ2 4.27Å; P625-W651 HydrophobicContact CB-CD2 4.32Å; P625-W651 HydrophobicContact CB-CG 4.44Å; P625-W651 HydrophobicContact CB-CZ2 4.33Å; P625-W651 HydrophobicContact CG-CD2 4.35Å; P625-W651 HydrophobicContact CG-CG 4.46Å; P625-W651 HydrophobicContact CG-CZ2 3.88Å; W633-W651 HydrophobicContact CH2-CB 4.18Å; W633-W651 AromaticContact CH2-CD2 3.82Å; W633-W651 HydrophobicContact CH2-CD2 3.82Å; W633-W651 AromaticContact CH2-CE3 3.71Å; W633-W651 HydrophobicContact CH2-CE3 3.71Å; W633-W651 HydrophobicContact CH2-CG 4.05Å; W633-W651 HydrophobicContact CH2-CZ3 4.32Å; W633-W651 AromaticContact CZ3-CE3 3.97Å; W633-W651 HydrophobicContact CZ3-CE3 3.97Å; W633-W651 HydrophobicContact CZ3-CZ3 4.37Å; V639-W651 HydrophobicContact CB-CH2 4.39Å; V639-W651 HydrophobicContact CG1-CH2 3.61Å; V639-W651 HydrophobicContact CG1-CZ3 4.23Å; V639-W651 HydrophobicContact CG2-CH2 3.78Å; V639-W651 HydrophobicContact CG2-CZ3 3.81Å; Q647-W651 PolarHBondContact O-NE1 3.1Å; F648-W651 HydrophobicContact CB-CD2 4.47Å; F648-W651 HydrophobicContact CD1-CD2 4.32Å; F648-W651 HydrophobicContact CD1-CE3 4.12Å; F648-W651 AromaticContact CD1-CH2 3.67Å; F648-W651 HydrophobicContact CD1-CH2 3.67Å; F648-W651 AromaticContact CD1-CZ2 3.83Å; F648-W651 HydrophobicContact CD1-CZ2 3.83Å; F648-W651 AromaticContact CD1-CZ3 3.8Å; F648-W651 HydrophobicContact CD1-CZ3 3.8Å; F648-W651 AromaticContact CE1-CH2 3.97Å; F648-W651 HydrophobicContact CE1-CH2 3.97Å; F648-W651 HydrophobicContact CE1-CZ2 4.35Å; F648-W651 HydrophobicContact CE1-CZ3 4.31Å; F648-W651 PolarHBondContact O-N 3.47Å; W651-I653 VanDerWaalsContact C-N 3.34Å; W651-I653 PolarHBondContact O-N 3.35Å; W651-I660 HydrophobicContact CE3-CD1 3.87Å; W651-I660 HydrophobicContact CE3-CG1 4.39Å; W651-I660 HydrophobicContact CE3-CG2 4.33Å; W651-I660 HydrophobicContact CZ3-CD1 4.26Å; W651-I660 HydrophobicContact CZ3-CG2 3.9Å
652	P	82.7	Confident	89.2	Confident	74 Å²	74	53 Å²	53	48%	0.481	31%	0.306	S	S	.	.	S	Bend	trans	-72.4	-22.1	-174.8	26.8	-32.9	0	0	0	114.3	W633	W633-P652 HydrophobicContact CD2-CG 3.89Å; W633-P652 HydrophobicContact CG-CG 4.05Å; W633-P652 HydrophobicContact CZ2-CG 3.62Å
653	I	80.3	Confident	89.1	Confident	50 Å²	50	55.1 Å²	55.1	26%	0.256	32%	0.316	S	S	.	.	S	Bend	trans	-74.7	-52.5	177.9	-64	-179.1	0	0	0	110.6	W633 W651	W633-I653 HydrophobicContact CB-CD1 4.29Å; W633-I653 HydrophobicContact CB-CG1 4.47Å; W633-I653 HydrophobicContact CD2-CD1 4.06Å; W633-I653 HydrophobicContact CD2-CG1 4.14Å; W633-I653 HydrophobicContact CE3-CD1 3.31Å; W633-I653 HydrophobicContact CE3-CG1 3.78Å; W633-I653 HydrophobicContact CG-CD1 4.49Å; W633-I653 HydrophobicContact CG-CG1 4.46Å; W633-I653 HydrophobicContact CZ3-CD1 3.9Å; W633-I653 HydrophobicContact CZ3-CG1 4.31Å; W651-I653 VanDerWaalsContact C-N 3.34Å; W651-I653 PolarHBondContact O-N 3.35Å
654	S	83.9	Confident	89.3	Confident	31 Å²	31	55.2 Å²	55.2	22%	0.217	32%	0.317	C	S	.	.			trans	-174.6	158.6	176.8	-176.1	0	0	0	0	108	D656 I660	S654-D656 PolarHBondContact OG-N 3.44Å; S654-I660 WeakPolarHBondContact O-CD1 3.43Å
655	S	88.9	Confident	89.6	Confident	67 Å²	67	53 Å²	53	47%	0.469	31%	0.306	S	S	.	.	S	Bend	trans	-91.4	-6.9	166.9	-60	0	0	0	0	112.8	P657	S655-P657 WeakPolarHBondContact O-CD 3.3Å
656	D	91	Very high	89.9	Confident	80 Å²	80	50.5 Å²	50.5	43%	0.428	29%	0.286	S	S	.	.			trans	-84.9	119.9	179.7	-178	4.4	0	0	0	111.5	S654 A658 V659 I660	S654-D656 PolarHBondContact OG-N 3.44Å; D656-A658 PolarHBondContact O-N 3.14Å; D656-A658 PolarHBondContact OD1-N 3.1Å; D656-A658 VanDerWaalsContact OD1-N 3.08Å; D656-V659 HydrophobicContact CB-CG2 4.17Å; D656-V659 PolarHBondContact O-N 3.44Å; D656-I660 WeakPolarHBondContact O-CD1 3.45Å; D656-I660 VanDerWaalsContact O-CG1 3.31Å; D656-I660 WeakPolarHBondContact O-CG1 3.28Å; D656-I660 PolarHBondContact O-N 3.23Å
657	P	91.5	Very high	90.4	Very high	15 Å²	15	43.3 Å²	43.3	10%	0.097	26%	0.258	C	S	.	.	H	α-helix	trans	-52.1	-37.6	176	-24.2	30.7	0	0	0	114.4	F648 S655 I660 F661 W683	F648-P657 HydrophobicContact CD2-CB 4.29Å; F648-P657 HydrophobicContact CD2-CG 3.7Å; F648-P657 HydrophobicContact CE2-CB 4.13Å; F648-P657 HydrophobicContact CE2-CG 3.85Å; S655-P657 WeakPolarHBondContact O-CD 3.3Å; P657-I660 PolarHBondContact O-N 3.08Å; P657-F661 HydrophobicContact CB-CD2 4.17Å; P657-F661 HydrophobicContact CB-CE2 3.76Å; P657-F661 WeakPolarHBondContact O-CD2 3.44Å; P657-F661 WeakPolarHBondContact O-CG 3.43Å; P657-F661 PolarHBondContact O-N 2.89Å; P657-W683 HydrophobicContact CB-CD2 4.01Å; P657-W683 HydrophobicContact CB-CG 4Å; P657-W683 HydrophobicContact CB-CZ2 4.27Å; P657-W683 HydrophobicContact CG-CD2 4.42Å; P657-W683 HydrophobicContact CG-CZ2 3.77Å
658	A	91.2	Very high	90.7	Very high	67 Å²	67	43 Å²	43	55%	0.554	26%	0.257	S	S	*	.	H	α-helix	trans	-64.5	-44.3	-176.5	0	0	0	0	0	111.8	D656 S662	D656-A658 PolarHBondContact O-N 3.14Å; D656-A658 PolarHBondContact OD1-N 3.1Å; D656-A658 VanDerWaalsContact OD1-N 3.08Å; A658-S662 PolarHBondContact O-N 3.35Å; A658-S662 VanDerWaalsContact O-N 3.17Å
659	V	91.9	Very high	90.8	Very high	56 Å²	56	43.7 Å²	43.7	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-43.6	176.3	-179.5	0	0	0	0	110.4	D656 F661 S662	D656-V659 HydrophobicContact CB-CG2 4.17Å; D656-V659 PolarHBondContact O-N 3.44Å; V659-F661 PolarHBondContact O-N 3.31Å; V659-S662 PolarHBondContact O-N 2.77Å; V659-S662 PolarHBondContact O-OG 3.09Å
660	I	92.7	Very high	91.1	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-49.4	179.9	-64.9	164.4	0	0	0	110.9	F648 W651 S654 D656 P657 S662 Q663 V664	F648-I660 HydrophobicContact CB-CD1 3.58Å; F648-I660 HydrophobicContact CD1-CD1 3.7Å; F648-I660 HydrophobicContact CG-CD1 3.65Å; W651-I660 HydrophobicContact CE3-CD1 3.87Å; W651-I660 HydrophobicContact CE3-CG1 4.39Å; W651-I660 HydrophobicContact CE3-CG2 4.33Å; W651-I660 HydrophobicContact CZ3-CD1 4.26Å; W651-I660 HydrophobicContact CZ3-CG2 3.9Å; S654-I660 WeakPolarHBondContact O-CD1 3.43Å; D656-I660 WeakPolarHBondContact O-CD1 3.45Å; D656-I660 VanDerWaalsContact O-CG1 3.31Å; D656-I660 WeakPolarHBondContact O-CG1 3.28Å; D656-I660 PolarHBondContact O-N 3.23Å; P657-I660 PolarHBondContact O-N 3.08Å; I660-S662 PolarHBondContact O-N 2.7Å; I660-Q663 PolarHBondContact O-N 2.74Å; I660-V664 PolarHBondContact O-N 3.41Å
661	F	93.7	Very high	91.5	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-77	-7.7	-177	-58	-49.1	0	0	0	114.6	V639 V641 F648 P657 V659 V664 W683 N684 V685	V639-F661 HydrophobicContact CG1-CE1 4.46Å; V641-F661 HydrophobicContact CG1-CE1 3.85Å; V641-F661 HydrophobicContact CG1-CZ 3.52Å; F648-F661 HydrophobicContact CE1-CZ 4Å; F648-F661 HydrophobicContact CE2-CZ 4.39Å; F648-F661 HydrophobicContact CZ-CE2 4.26Å; F648-F661 AromaticContact CZ-CZ 3.63Å; F648-F661 HydrophobicContact CZ-CZ 3.63Å; P657-F661 HydrophobicContact CB-CD2 4.17Å; P657-F661 HydrophobicContact CB-CE2 3.76Å; P657-F661 WeakPolarHBondContact O-CD2 3.44Å; P657-F661 WeakPolarHBondContact O-CG 3.43Å; P657-F661 PolarHBondContact O-N 2.89Å; V659-F661 PolarHBondContact O-N 3.31Å; F661-V664 CarbonylContact C-O 3.52Å; F661-V664 WeakPolarHBondContact CA-O 3.5Å; F661-W683 HydrophobicContact CD2-CB 3.86Å; F661-W683 HydrophobicContact CD2-CG 4.31Å; F661-W683 HydrophobicContact CE2-CB 3.73Å; F661-W683 HydrophobicContact CE2-CD2 4.03Å; F661-W683 HydrophobicContact CE2-CE3 4.12Å; F661-W683 AromaticContact CE2-CG 3.88Å; F661-W683 HydrophobicContact CE2-CG 3.88Å; F661-N684 HydrophobicContact CB-CB 4.27Å; F661-V685 HydrophobicContact CD1-CG1 3.9Å; F661-V685 HydrophobicContact CD2-CG1 3.76Å; F661-V685 HydrophobicContact CE1-CG1 3.75Å; F661-V685 HydrophobicContact CE2-CG1 3.58Å; F661-V685 HydrophobicContact CG-CG1 3.95Å; F661-V685 HydrophobicContact CZ-CG1 3.63Å
662	S	91.3	Very high	91.7	Very high	74 Å²	74	40.6 Å²	40.6	52%	0.517	24%	0.236	S	C	.	.	H	α-helix	trans	-72.1	-33.6	167.2	76.9	0	0	0	0	112	A658 V659 I660	A658-S662 PolarHBondContact O-N 3.35Å; A658-S662 VanDerWaalsContact O-N 3.17Å; V659-S662 PolarHBondContact O-N 2.77Å; V659-S662 PolarHBondContact O-OG 3.09Å; I660-S662 PolarHBondContact O-N 2.7Å
663	Q	90.1	Very high	92.1	Very high	86 Å²	86	43.3 Å²	43.3	40%	0.402	25%	0.247	S	C	.	.	H	α-helix	trans	-98.9	-34.1	-176.2	-61.9	-178.1	-1.4	0	0	112.7	I660 H711	I660-Q663 PolarHBondContact O-N 2.74Å; Q663-H711 PolarHBondContact O-CE1 3.26Å; Q663-H711 PolarHBondContact O-NE2 3.1Å
664	V	94.1	Very high	92.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.261	C	S	.	.	S	Bend	trans	-121	142.5	-171.9	-176.3	0	0	0	0	110.3	V636 V639 I660 F661 G666	V636-V664 HydrophobicContact CG1-CG1 3.94Å; V636-V664 HydrophobicContact CG1-CG2 4.11Å; V639-V664 HydrophobicContact CB-CG1 4.26Å; V639-V664 HydrophobicContact CG2-CG1 3.68Å; I660-V664 PolarHBondContact O-N 3.41Å; F661-V664 CarbonylContact C-O 3.52Å; F661-V664 WeakPolarHBondContact CA-O 3.5Å; V664-G666 PolarHBondContact O-N 3.46Å
665	K	96	Very high	93.1	Very high	40 Å²	40	50.1 Å²	50.1	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.1	177.2	-169.7	64.3	171	-174.9	0	110.8	V637 A638 V639 F667 H711	V637-K665 PolarHBondContact O-N 3.27Å; V637-K665 VanDerWaalsContact O-N 3.14Å; A638-K665 CarbonylContact C-O 3.53Å; A638-K665 WeakPolarHBondContact CA-O 3.47Å; V639-K665 PolarHBondContact N-O 2.95Å; K665-F667 HydrophobicContact CB-CE2 4.09Å; K665-F667 HydrophobicContact CB-CZ 4.45Å; K665-F667 HydrophobicContact CG-CD2 4.38Å; K665-F667 HydrophobicContact CG-CE1 4.26Å; K665-F667 HydrophobicContact CG-CE2 3.6Å; K665-F667 HydrophobicContact CG-CZ 3.53Å; K665-H711 HydrophobicContact CB-CB 4.17Å; K665-H711 PolarHBondContact N-NE2 3.21Å
666	G	96.4	Very high	93.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.3	174.5	0	0	0	0	0	113.2	V639 V664 V685 R686	V639-G666 CarbonylContact O-C 3.5Å; V639-G666 WeakPolarHBondContact O-CA 3.37Å; V664-G666 PolarHBondContact O-N 3.46Å; G666-V685 WeakPolarHBondContact O-CA 3.33Å; G666-R686 PolarHBondContact O-N 3.08Å
667	F	97.4	Very high	93.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.8	173.8	-63.7	-80.3	0	0	0	111	A638 V639 F640 V641 K665 R686 I688 I704 Q707	A638-F667 HydrophobicContact CB-CD2 4.07Å; A638-F667 HydrophobicContact CB-CE2 3.82Å; V639-F667 PolarHBondContact O-N 3.46Å; F640-F667 CarbonylContact C-O 3.14Å; F640-F667 VanDerWaalsContact CA-O 3.3Å; F640-F667 WeakPolarHBondContact CA-O 3.45Å; F640-F667 HydrophobicContact CD1-CB 3.61Å; F640-F667 HydrophobicContact CE1-CB 3.52Å; F640-F667 HydrophobicContact CE1-CD2 4.44Å; F640-F667 HydrophobicContact CE1-CG 4.15Å; F640-F667 HydrophobicContact CG-CB 4.4Å; F640-F667 HydrophobicContact CZ-CB 4.27Å; F640-F667 HydrophobicContact CZ-CD2 4.38Å; F640-F667 HydrophobicContact CZ-CG 4.49Å; V641-F667 PolarHBondContact N-O 3.41Å; K665-F667 HydrophobicContact CB-CE2 4.09Å; K665-F667 HydrophobicContact CB-CZ 4.45Å; K665-F667 HydrophobicContact CG-CD2 4.38Å; K665-F667 HydrophobicContact CG-CE1 4.26Å; K665-F667 HydrophobicContact CG-CE2 3.6Å; K665-F667 HydrophobicContact CG-CZ 3.53Å; F667-R686 CarbonylContact C-O 3.57Å; F667-R686 WeakPolarHBondContact CA-O 3.45Å; F667-R686 HydrophobicContact CD1-CB 3.94Å; F667-R686 HydrophobicContact CD1-CG 4.37Å; F667-R686 HydrophobicContact CE1-CB 4.2Å; F667-I688 HydrophobicContact CD1-CD1 4.1Å; F667-I704 HydrophobicContact CD1-CG1 4.28Å; F667-I704 HydrophobicContact CD1-CG2 4.36Å; F667-I704 HydrophobicContact CD2-CG2 4.29Å; F667-I704 HydrophobicContact CE1-CB 4.25Å; F667-I704 HydrophobicContact CE1-CG1 4.34Å; F667-I704 HydrophobicContact CE1-CG2 4.01Å; F667-I704 HydrophobicContact CE2-CG2 3.92Å; F667-I704 HydrophobicContact CG-CG2 4.49Å; F667-I704 HydrophobicContact CZ-CB 4.42Å; F667-I704 HydrophobicContact CZ-CG2 3.77Å; F667-Q707 HydrophobicContact CE1-CB 4Å; F667-Q707 HydrophobicContact CZ-CB 4.02Å
668	H	96.1	Very high	93.4	Very high	15 Å²	15	52 Å²	52	7%	0.069	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.2	174.4	179.4	63.2	0	0	0	109.5	V641 Q642 V680 V685 R686 V687 I688	V641-H668 HydrophobicContact CG2-CB 3.79Å; V641-H668 PolarHBondContact O-ND1 3.44Å; Q642-H668 PolarHBondContact O-CE1 2.98Å; H668-V680 HydrophobicContact CB-CG1 3.76Å; H668-V685 HydrophobicContact CB-CG2 4.44Å; H668-R686 PolarHBondContact N-O 3.16Å; H668-V687 HydrophobicContact CB-CG2 4.47Å; H668-V687 CarbonylContact O-C 3.57Å; H668-V687 WeakPolarHBondContact O-CA 3.34Å; H668-I688 PolarHBondContact O-N 3.44Å
669	L	95.3	Very high	93.5	Very high	14 Å²	14	52 Å²	52	7%	0.073	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.4	171.7	-71.6	78.3	0	0	0	108.6	L573 I574 F640 L690 F701	L573-L669 HydrophobicContact CB-CB 4.2Å; L573-L669 HydrophobicContact CD1-CB 4.18Å; I574-L669 HydrophobicContact CB-CD2 4.4Å; I574-L669 HydrophobicContact CG2-CD1 4.13Å; F640-L669 HydrophobicContact CD1-CD1 3.18Å; F640-L669 HydrophobicContact CE1-CD1 3.29Å; F640-L669 HydrophobicContact CG-CD1 4.38Å; L669-L690 HydrophobicContact CD2-CD1 4.18Å; L669-F701 HydrophobicContact CD2-CE1 3.77Å; L669-F701 HydrophobicContact CD2-CZ 4.38Å
670	K	94.1	Very high	93.6	Very high	35 Å²	35	49.4 Å²	49.4	15%	0.152	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.4	169.2	69.5	169.9	-163.7	156.3	0	110.3	M674 L676 V687 I688 D689 L690	K670-M674 PolarHBondContact NZ-O 3.2Å; K670-L676 HydrophobicContact CD-CD1 4.14Å; K670-V687 HydrophobicContact CD-CG1 3.89Å; K670-V687 HydrophobicContact CG-CG1 3.86Å; K670-I688 PolarHBondContact N-O 3.23Å; K670-I688 VanDerWaalsContact N-O 3.08Å; K670-D689 WeakPolarHBondContact CE-OD1 3.28Å; K670-D689 WeakPolarHBondContact CG-OD1 3.45Å; K670-D689 IonicContact NZ-OD1 3.86Å; K670-L690 PolarHBondContact O-N 2.97Å
671	Y	94.2	Very high	93.6	Very high	69 Å²	69	52.4 Å²	52.4	27%	0.271	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	145	166.7	-66.8	-67.8	0	0	0	110.3	L573 F588 N673 M674 L690	L573-Y671 HydrophobicContact CD1-CD2 4.21Å; L573-Y671 HydrophobicContact CD1-CE2 4.15Å; L573-Y671 HydrophobicContact CD2-CD2 4.17Å; L573-Y671 HydrophobicContact CD2-CE2 3.37Å; L573-Y671 HydrophobicContact CG-CE2 4.43Å; F588-Y671 HydrophobicContact CE1-CE1 4.12Å; F588-Y671 HydrophobicContact CZ-CE1 4.47Å; Y671-N673 PolarHBondContact O-N 2.77Å; Y671-N673 VanDerWaalsContact O-N 3.16Å; Y671-M674 WeakPolarHBondContact O-CB 3.24Å; Y671-M674 PolarHBondContact O-N 3.49Å; Y671-L690 CarbonylContact C-O 3.59Å; Y671-L690 VanDerWaalsContact CA-O 3.3Å; Y671-L690 WeakPolarHBondContact CA-O 3.33Å; Y671-L690 HydrophobicContact CD1-CB 3.97Å; Y671-L690 HydrophobicContact CE1-CB 4.39Å
672	T	92.5	Very high	93.5	Very high	66 Å²	66	59.9 Å²	59.9	41%	0.405	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37	-178.1	-51	0	0	0	0	112.8	M674 L690	T672-M674 VanDerWaalsContact C-N 3.28Å; T672-M674 PolarHBondContact O-N 2.94Å; T672-L690 PolarHBondContact N-O 2.85Å; T672-L690 PolarHBondContact OG1-O 3.37Å
673	N	92	Very high	93.7	Very high	131 Å²	131	58.1 Å²	58.1	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	2.1	-177.9	-59.5	-19.6	0	0	0	113.9	Y671	Y671-N673 PolarHBondContact O-N 2.77Å; Y671-N673 VanDerWaalsContact O-N 3.16Å
674	M	91	Very high	93.9	Very high	112 Å²	112	59.6 Å²	59.6	55%	0.552	32%	0.32	S	S	*	.	S	Bend	trans	-99.9	138.9	-179.8	-69.5	-74.2	-72.4	0	0	110.9	K670 Y671 T672	K670-M674 PolarHBondContact NZ-O 3.2Å; Y671-M674 WeakPolarHBondContact O-CB 3.24Å; Y671-M674 PolarHBondContact O-N 3.49Å; T672-M674 VanDerWaalsContact C-N 3.28Å; T672-M674 PolarHBondContact O-N 2.94Å
675	P	93.4	Very high	93.9	Very high	112 Å²	112	60.5 Å²	60.5	73%	0.727	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-61	147.3	173.8	26.9	-33.9	0	0	0	110.5
676	L	92.6	Very high	93.9	Very high	62 Å²	62	63.4 Å²	63.4	33%	0.325	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-74.4	133.2	174.5	-177.4	63	0	0	0	109.3	K670 V680 A681 V687	K670-L676 HydrophobicContact CD-CD1 4.14Å; L676-V680 HydrophobicContact CD1-CB 4.06Å; L676-V680 HydrophobicContact CD1-CG1 3.73Å; L676-A681 HydrophobicContact CD2-CB 3.9Å; L676-A681 HydrophobicContact CG-CB 4.41Å; L676-V687 HydrophobicContact CD1-CG1 4.1Å; L676-V687 HydrophobicContact CD1-CG2 3.64Å; L676-V687 HydrophobicContact CD2-CG2 4.17Å
677	D	91.8	Very high	93.9	Very high	52 Å²	52	64.4 Å²	64.4	28%	0.278	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-61	132.6	176.4	-176.7	-72.1	0	0	0	110.7	N679 V680 A681	D677-N679 PolarHBondContact O-N 3.03Å; D677-N679 VanDerWaalsContact O-N 3.16Å; D677-N679 VanDerWaalsContact OD1-CB 3.28Å; D677-N679 WeakPolarHBondContact OD1-CB 3.28Å; D677-N679 PolarHBondContact OD1-N 2.84Å; D677-N679 PolarHBondContact OD1-ND2 3.47Å; D677-V680 HydrophobicContact CB-CB 4.25Å; D677-V680 HydrophobicContact CB-CG2 3.82Å; D677-V680 WeakPolarHBondContact O-CB 3.39Å; D677-V680 PolarHBondContact O-N 3.22Å; D677-V680 VanDerWaalsContact O-N 3.08Å; D677-A681 PolarHBondContact O-N 3.19Å; D677-A681 VanDerWaalsContact O-N 3.08Å
678	P	93.1	Very high	93.8	Very high	89 Å²	89	64.4 Å²	64.4	58%	0.578	34%	0.341	S	S	*	.	H	α-helix	trans	-58.5	-28.4	-177	-25.9	34	0	0	0	114.7	K682	P678-K682 WeakPolarHBondContact O-CG 3.28Å
679	N	93.2	Very high	93.7	Very high	65 Å²	65	66.5 Å²	66.5	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-75.1	-41.2	176.9	-61	-46	0	0	0	110.9	G643 D677 A681 K682 W683	G643-N679 WeakPolarHBondContact O-CB 3.47Å; G643-N679 PolarHBondContact O-ND2 3.18Å; D677-N679 PolarHBondContact O-N 3.03Å; D677-N679 VanDerWaalsContact O-N 3.16Å; D677-N679 VanDerWaalsContact OD1-CB 3.28Å; D677-N679 WeakPolarHBondContact OD1-CB 3.28Å; D677-N679 PolarHBondContact OD1-N 2.84Å; D677-N679 PolarHBondContact OD1-ND2 3.47Å; N679-A681 VanDerWaalsContact C-N 3.26Å; N679-A681 PolarHBondContact O-N 2.93Å; N679-K682 WeakPolarHBondContact O-CB 3.36Å; N679-K682 PolarHBondContact O-N 3.23Å; N679-W683 HydrophobicContact CB-CH2 3.92Å; N679-W683 HydrophobicContact CB-CZ2 3.72Å; N679-W683 VanDerWaalsContact O-CD2 3.32Å; N679-W683 VanDerWaalsContact O-CG 3.32Å; N679-W683 PolarHBondContact O-N 3.31Å
680	V	94.1	Very high	93.6	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-39	177	-179.5	0	0	0	0	110.5	H668 L676 D677 K682 W683 V685 V687	H668-V680 HydrophobicContact CB-CG1 3.76Å; L676-V680 HydrophobicContact CD1-CB 4.06Å; L676-V680 HydrophobicContact CD1-CG1 3.73Å; D677-V680 HydrophobicContact CB-CB 4.25Å; D677-V680 HydrophobicContact CB-CG2 3.82Å; D677-V680 WeakPolarHBondContact O-CB 3.39Å; D677-V680 PolarHBondContact O-N 3.22Å; D677-V680 VanDerWaalsContact O-N 3.08Å; V680-K682 PolarHBondContact O-N 3.05Å; V680-W683 HydrophobicContact CG2-CE3 4.36Å; V680-W683 HydrophobicContact CG2-CZ3 4.29Å; V680-W683 PolarHBondContact O-N 3.08Å; V680-W683 VanDerWaalsContact O-N 3.1Å; V680-V685 HydrophobicContact CG1-CG2 3.5Å; V680-V687 HydrophobicContact CG1-CG2 4.23Å
681	A	93.2	Very high	93.4	Very high	67 Å²	67	66.1 Å²	66.1	55%	0.554	35%	0.352	S	S	*	.	H	α-helix	trans	-60.2	-27	176.2	0	0	0	0	0	113.5	L676 D677 N679	L676-A681 HydrophobicContact CD2-CB 3.9Å; L676-A681 HydrophobicContact CG-CB 4.41Å; D677-A681 PolarHBondContact O-N 3.19Å; D677-A681 VanDerWaalsContact O-N 3.08Å; N679-A681 VanDerWaalsContact C-N 3.26Å; N679-A681 PolarHBondContact O-N 2.93Å
682	K	92.7	Very high	93	Very high	165 Å²	165	69.7 Å²	69.7	72%	0.717	37%	0.371	S	S	*	.	H	α-helix	trans	-84.4	-19.7	177.7	-64.3	171.6	-175.1	178.4	0	113	P678 N679 V680	P678-K682 WeakPolarHBondContact O-CG 3.28Å; N679-K682 WeakPolarHBondContact O-CB 3.36Å; N679-K682 PolarHBondContact O-N 3.23Å; V680-K682 PolarHBondContact O-N 3.05Å
683	W	93.8	Very high	92.7	Very high	38 Å²	38	74.2 Å²	74.2	14%	0.144	38%	0.381	C	S	.	.	S	Bend	trans	-92.5	148.2	-174.3	-59.4	-23.7	0	0	0	111.6	V641 G643 A645 F648 P657 F661 N679 V680 V685	V641-W683 HydrophobicContact CG2-CE3 4.46Å; G643-W683 WeakPolarHBondContact O-CH2 3.42Å; A645-W683 HydrophobicContact CB-CH2 4.4Å; A645-W683 HydrophobicContact CB-CZ2 4.02Å; F648-W683 HydrophobicContact CE2-CE3 4.37Å; F648-W683 AromaticContact CE2-CH2 3.7Å; F648-W683 HydrophobicContact CE2-CH2 3.7Å; F648-W683 HydrophobicContact CE2-CZ2 4.08Å; F648-W683 AromaticContact CE2-CZ3 3.85Å; F648-W683 HydrophobicContact CE2-CZ3 3.85Å; F648-W683 HydrophobicContact CZ-CH2 4.43Å; F648-W683 HydrophobicContact CZ-CZ3 4.14Å; P657-W683 HydrophobicContact CB-CD2 4.01Å; P657-W683 HydrophobicContact CB-CG 4Å; P657-W683 HydrophobicContact CB-CZ2 4.27Å; P657-W683 HydrophobicContact CG-CD2 4.42Å; P657-W683 HydrophobicContact CG-CZ2 3.77Å; F661-W683 HydrophobicContact CD2-CB 3.86Å; F661-W683 HydrophobicContact CD2-CG 4.31Å; F661-W683 HydrophobicContact CE2-CB 3.73Å; F661-W683 HydrophobicContact CE2-CD2 4.03Å; F661-W683 HydrophobicContact CE2-CE3 4.12Å; F661-W683 AromaticContact CE2-CG 3.88Å; F661-W683 HydrophobicContact CE2-CG 3.88Å; N679-W683 HydrophobicContact CB-CH2 3.92Å; N679-W683 HydrophobicContact CB-CZ2 3.72Å; N679-W683 VanDerWaalsContact O-CD2 3.32Å; N679-W683 VanDerWaalsContact O-CG 3.32Å; N679-W683 PolarHBondContact O-N 3.31Å; V680-W683 HydrophobicContact CG2-CE3 4.36Å; V680-W683 HydrophobicContact CG2-CZ3 4.29Å; V680-W683 PolarHBondContact O-N 3.08Å; V680-W683 VanDerWaalsContact O-N 3.1Å; W683-V685 HydrophobicContact CB-CG1 3.88Å; W683-V685 HydrophobicContact CB-CG2 4.24Å; W683-V685 PolarHBondContact O-N 3.38Å
684	N	94.2	Very high	92.6	Very high	117 Å²	117	72.4 Å²	72.4	63%	0.626	37%	0.365	S	S	*	.	S	Bend	trans	-75.6	68.7	174.7	-175.3	19.6	0	0	0	111.2	F661	F661-N684 HydrophobicContact CB-CB 4.27Å
685	V	95.2	Very high	92.4	Very high	20 Å²	20	73.7 Å²	73.7	12%	0.121	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.9	-176.9	-56.7	0	0	0	0	110.8	V641 F661 G666 H668 V680 W683 V687	V641-V685 HydrophobicContact CG2-CB 4.47Å; V641-V685 HydrophobicContact CG2-CG1 4.29Å; V641-V685 HydrophobicContact CG2-CG2 4.32Å; F661-V685 HydrophobicContact CD1-CG1 3.9Å; F661-V685 HydrophobicContact CD2-CG1 3.76Å; F661-V685 HydrophobicContact CE1-CG1 3.75Å; F661-V685 HydrophobicContact CE2-CG1 3.58Å; F661-V685 HydrophobicContact CG-CG1 3.95Å; F661-V685 HydrophobicContact CZ-CG1 3.63Å; G666-V685 WeakPolarHBondContact O-CA 3.33Å; H668-V685 HydrophobicContact CB-CG2 4.44Å; V680-V685 HydrophobicContact CG1-CG2 3.5Å; W683-V685 HydrophobicContact CB-CG1 3.88Å; W683-V685 HydrophobicContact CB-CG2 4.24Å; W683-V685 PolarHBondContact O-N 3.38Å; V685-V687 PolarHBondContact O-N 2.83Å
686	R	95.6	Very high	92.4	Very high	100 Å²	100	71.4 Å²	71.4	38%	0.377	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.6	175.5	175.3	49.3	-178.3	160.4	-0.1	109.9	G666 F667 H668 I688 Q703	G666-R686 PolarHBondContact O-N 3.08Å; F667-R686 CarbonylContact C-O 3.57Å; F667-R686 WeakPolarHBondContact CA-O 3.45Å; F667-R686 HydrophobicContact CD1-CB 3.94Å; F667-R686 HydrophobicContact CD1-CG 4.37Å; F667-R686 HydrophobicContact CE1-CB 4.2Å; H668-R686 PolarHBondContact N-O 3.16Å; R686-I688 HydrophobicContact CG-CG1 4.37Å; R686-Q703 VanDerWaalsContact NH2-OE1 3.11Å
687	V	96	Very high	92.4	Very high	21 Å²	21	68.5 Å²	68.5	13%	0.127	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.3	170.3	-175.4	0	0	0	0	110.6	H668 K670 L676 V680 V685	H668-V687 HydrophobicContact CB-CG2 4.47Å; H668-V687 CarbonylContact O-C 3.57Å; H668-V687 WeakPolarHBondContact O-CA 3.34Å; K670-V687 HydrophobicContact CD-CG1 3.89Å; K670-V687 HydrophobicContact CG-CG1 3.86Å; L676-V687 HydrophobicContact CD1-CG1 4.1Å; L676-V687 HydrophobicContact CD1-CG2 3.64Å; L676-V687 HydrophobicContact CD2-CG2 4.17Å; V680-V687 HydrophobicContact CG1-CG2 4.23Å; V685-V687 PolarHBondContact O-N 2.83Å
688	I	95.4	Very high	92.4	Very high	1 Å²	1	73 Å²	73	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.3	176.7	-61.6	173.4	0	0	0	107.6	F667 H668 K670 R686 N700 I704	F667-I688 HydrophobicContact CD1-CD1 4.1Å; H668-I688 PolarHBondContact O-N 3.44Å; K670-I688 PolarHBondContact N-O 3.23Å; K670-I688 VanDerWaalsContact N-O 3.08Å; R686-I688 HydrophobicContact CG-CG1 4.37Å; I688-N700 HydrophobicContact CG2-CB 3.94Å; I688-I704 HydrophobicContact CD1-CB 4.45Å; I688-I704 HydrophobicContact CD1-CD1 3.54Å; I688-I704 HydrophobicContact CD1-CG1 3.07Å
689	D	93.9	Very high	92.4	Very high	58 Å²	58	71.4 Å²	71.4	31%	0.31	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.1	-176.2	-62	-51.5	0	0	0	110.1	K670 N700	K670-D689 WeakPolarHBondContact CE-OD1 3.28Å; K670-D689 WeakPolarHBondContact CG-OD1 3.45Å; K670-D689 IonicContact NZ-OD1 3.86Å; D689-N700 PolarHBondContact O-ND2 3.23Å
690	L	93.2	Very high	92.4	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.4	174.2	-61.7	-175	0	0	0	109.9	L573 F588 L669 K670 Y671 T672 F701	L573-L690 HydrophobicContact CD1-CD1 4.11Å; F588-L690 HydrophobicContact CD1-CD1 4.36Å; F588-L690 HydrophobicContact CD2-CD1 3.62Å; F588-L690 HydrophobicContact CE1-CD1 4.34Å; F588-L690 HydrophobicContact CE2-CD1 3.61Å; F588-L690 HydrophobicContact CG-CD1 4.01Å; F588-L690 HydrophobicContact CZ-CD1 3.98Å; L669-L690 HydrophobicContact CD2-CD1 4.18Å; K670-L690 PolarHBondContact O-N 2.97Å; Y671-L690 CarbonylContact C-O 3.59Å; Y671-L690 VanDerWaalsContact CA-O 3.3Å; Y671-L690 WeakPolarHBondContact CA-O 3.33Å; Y671-L690 HydrophobicContact CD1-CB 3.97Å; Y671-L690 HydrophobicContact CE1-CB 4.39Å; T672-L690 PolarHBondContact N-O 2.85Å; T672-L690 PolarHBondContact OG1-O 3.37Å; L690-F701 HydrophobicContact CD2-CE1 3.63Å; L690-F701 HydrophobicContact CD2-CE2 4.47Å; L690-F701 HydrophobicContact CD2-CZ 3.5Å; L690-F701 VanDerWaalsContact CD2-CZ 3.5Å
691	D	90.2	Very high	92.5	Very high	40 Å²	40	69.6 Å²	69.6	21%	0.214	34%	0.337	C	S	.	.			trans	-78.3	163.7	170.5	-159.9	-21.2	0	0	0	110	R693 R694 L696	D691-R693 HydrophobicContact CB-CB 4.23Å; D691-R693 PolarHBondContact OD1-N 2.99Å; D691-R694 PolarHBondContact O-NH1 3.37Å; D691-L696 HydrophobicContact CB-CD1 4.21Å
692	Q	86.5	Confident	92.5	Very high	144 Å²	144	70 Å²	70	67%	0.673	33%	0.327	S	S	*	.	S	Bend	trans	-65.7	-27.9	162.8	-64.4	-174.5	-7.5	0	0	111.3	R694	Q692-R694 PolarHBondContact O-N 3.16Å; Q692-R694 VanDerWaalsContact O-N 3.1Å
693	R	86.7	Confident	92.5	Very high	161 Å²	161	65.4 Å²	65.4	61%	0.608	31%	0.308	S	S	*	.			trans	-72.3	94.2	176.8	-64	177.5	-173.7	-177.3	4	111.8	D691 H695 L696	D691-R693 HydrophobicContact CB-CB 4.23Å; D691-R693 PolarHBondContact OD1-N 2.99Å; R693-H695 PolarHBondContact O-N 2.96Å; R693-L696 HydrophobicContact CB-CD1 4.43Å; R693-L696 PolarHBondContact O-N 3.27Å
694	R	88.7	Confident	92.6	Very high	94 Å²	94	63.7 Å²	63.7	36%	0.355	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.9	-16	-176.1	-59	-69.5	166.5	-106.9	-13.3	115.8	D691 Q692 L696 D697	D691-R694 PolarHBondContact O-NH1 3.37Å; Q692-R694 PolarHBondContact O-N 3.16Å; Q692-R694 VanDerWaalsContact O-N 3.1Å; R694-L696 PolarHBondContact O-N 2.99Å; R694-D697 WeakPolarHBondContact CD-OD2 3.25Å; R694-D697 WeakPolarHBondContact O-CB 3.47Å; R694-D697 PolarHBondContact O-N 3.46Å
695	H	88	Confident	92.6	Very high	139 Å²	139	58.4 Å²	58.4	64%	0.644	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-70.1	-18.4	177.4	62.7	-98.1	0	0	0	113	R693	R693-H695 PolarHBondContact O-N 2.96Å
696	L	91.8	Very high	92.5	Very high	64 Å²	64	60.8 Å²	60.8	34%	0.335	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-85.3	-13.3	177.2	-60.7	177.7	0	0	0	113.1	D691 R693 R694 K698 A699 N700	D691-L696 HydrophobicContact CB-CD1 4.21Å; R693-L696 HydrophobicContact CB-CD1 4.43Å; R693-L696 PolarHBondContact O-N 3.27Å; R694-L696 PolarHBondContact O-N 2.99Å; L696-K698 VanDerWaalsContact C-N 3.27Å; L696-K698 PolarHBondContact O-N 3.29Å; L696-A699 PolarHBondContact O-N 2.86Å; L696-A699 VanDerWaalsContact O-N 3.13Å; L696-N700 PolarHBondContact O-N 2.84Å; L696-N700 PolarHBondContact O-ND2 3.37Å
697	D	92.6	Very high	92.4	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-54.1	-44.8	-177.1	-67.4	-6.6	0	0	0	111.4	L586 F588 R694 A699 N700 F701	L586-D697 CarbonylContact O-C 3.53Å; F588-D697 WeakPolarHBondContact CB-OD2 2.93Å; F588-D697 PolarHBondContact N-OD2 3.32Å; R694-D697 WeakPolarHBondContact CD-OD2 3.25Å; R694-D697 WeakPolarHBondContact O-CB 3.47Å; R694-D697 PolarHBondContact O-N 3.46Å; D697-A699 PolarHBondContact O-N 3.06Å; D697-N700 PolarHBondContact O-N 3.29Å; D697-F701 HydrophobicContact CB-CD2 4.08Å; D697-F701 HydrophobicContact CB-CE2 3.84Å; D697-F701 WeakPolarHBondContact O-CB 3.36Å; D697-F701 WeakPolarHBondContact O-CD2 3.49Å; D697-F701 WeakPolarHBondContact O-CG 3.47Å; D697-F701 PolarHBondContact O-N 3.46Å
698	K	92.5	Very high	92.3	Very high	145 Å²	145	58.1 Å²	58.1	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-58.8	-46.3	-179.8	-173.2	173.2	-177.9	175.5	0	112	L586 L696 Q702	L586-K698 HydrophobicContact CB-CB 4.45Å; L586-K698 HydrophobicContact CB-CG 4.17Å; L586-K698 HydrophobicContact CD1-CG 4.02Å; L586-K698 WeakPolarHBondContact O-CA 3.46Å; L586-K698 PolarHBondContact O-N 3.03Å; L696-K698 VanDerWaalsContact C-N 3.27Å; L696-K698 PolarHBondContact O-N 3.29Å; K698-Q702 WeakPolarHBondContact O-CB 3.16Å; K698-Q702 PolarHBondContact O-N 2.87Å
699	A	93	Very high	92.1	Very high	57 Å²	57	59.8 Å²	59.8	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-68.3	-40	179.1	0	0	0	0	0	111.8	L696 D697 Q703	L696-A699 PolarHBondContact O-N 2.86Å; L696-A699 VanDerWaalsContact O-N 3.13Å; D697-A699 PolarHBondContact O-N 3.06Å; A699-Q703 PolarHBondContact O-N 3.36Å
700	N	93.7	Very high	92	Very high	28 Å²	28	62.4 Å²	62.4	15%	0.15	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-45	178.7	-74.3	-22.9	0	0	0	112.2	I688 D689 L696 D697 Q703	I688-N700 HydrophobicContact CG2-CB 3.94Å; D689-N700 PolarHBondContact O-ND2 3.23Å; L696-N700 PolarHBondContact O-N 2.84Å; L696-N700 PolarHBondContact O-ND2 3.37Å; D697-N700 PolarHBondContact O-N 3.29Å; N700-Q703 WeakPolarHBondContact O-CB 3.29Å; N700-Q703 PolarHBondContact O-N 3.37Å
701	F	95	Very high	92	Very high	1 Å²	1	63.4 Å²	63.4	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-76.5	-27.8	178.8	-61.1	-42.3	0	0	0	112.8	I582 L586 F588 L669 L690 D697 Q703 I704	I582-F701 HydrophobicContact CB-CZ 4.47Å; I582-F701 HydrophobicContact CG1-CE2 4.36Å; I582-F701 HydrophobicContact CG1-CZ 4.19Å; I582-F701 HydrophobicContact CG2-CD1 3.8Å; I582-F701 HydrophobicContact CG2-CD2 4.22Å; I582-F701 HydrophobicContact CG2-CE1 3.6Å; I582-F701 HydrophobicContact CG2-CE2 4.04Å; I582-F701 HydrophobicContact CG2-CG 4.11Å; I582-F701 HydrophobicContact CG2-CZ 3.72Å; L586-F701 HydrophobicContact CB-CB 4.36Å; L586-F701 HydrophobicContact CD2-CB 3.83Å; F588-F701 HydrophobicContact CB-CE2 3.93Å; F588-F701 HydrophobicContact CB-CZ 3.99Å; F588-F701 HydrophobicContact CD2-CZ 4.17Å; L669-F701 HydrophobicContact CD2-CE1 3.77Å; L669-F701 HydrophobicContact CD2-CZ 4.38Å; L690-F701 HydrophobicContact CD2-CE1 3.63Å; L690-F701 HydrophobicContact CD2-CE2 4.47Å; L690-F701 HydrophobicContact CD2-CZ 3.5Å; L690-F701 VanDerWaalsContact CD2-CZ 3.5Å; D697-F701 HydrophobicContact CB-CD2 4.08Å; D697-F701 HydrophobicContact CB-CE2 3.84Å; D697-F701 WeakPolarHBondContact O-CB 3.36Å; D697-F701 WeakPolarHBondContact O-CD2 3.49Å; D697-F701 WeakPolarHBondContact O-CG 3.47Å; D697-F701 PolarHBondContact O-N 3.46Å; F701-Q703 PolarHBondContact O-N 2.84Å; F701-I704 HydrophobicContact CB-CD1 4.33Å; F701-I704 HydrophobicContact CD1-CD1 3.73Å; F701-I704 HydrophobicContact CG-CD1 4.47Å; F701-I704 VanDerWaalsContact O-CB 3.23Å; F701-I704 WeakPolarHBondContact O-CB 3.38Å; F701-I704 PolarHBondContact O-N 2.94Å
702	Q	93.3	Very high	92.1	Very high	75 Å²	75	61.9 Å²	61.9	35%	0.35	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-35.6	171.4	-170.4	64.3	24.7	0	0	112	K698 I704 W705 D706	K698-Q702 WeakPolarHBondContact O-CB 3.16Å; K698-Q702 PolarHBondContact O-N 2.87Å; Q702-I704 PolarHBondContact O-N 3.4Å; Q702-W705 PolarHBondContact O-N 3.4Å; Q702-W705 VanDerWaalsContact O-N 3.08Å; Q702-D706 PolarHBondContact O-N 3.03Å; Q702-D706 VanDerWaalsContact O-N 3.08Å
703	Q	93.2	Very high	92.2	Very high	68 Å²	68	57 Å²	57	32%	0.318	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-31.1	175	-64.8	174.2	32.9	0	0	112.7	R686 A699 N700 F701 W705 Q707	R686-Q703 VanDerWaalsContact NH2-OE1 3.11Å; A699-Q703 PolarHBondContact O-N 3.36Å; N700-Q703 WeakPolarHBondContact O-CB 3.29Å; N700-Q703 PolarHBondContact O-N 3.37Å; F701-Q703 PolarHBondContact O-N 2.84Å; Q703-W705 VanDerWaalsContact C-N 3.33Å; Q703-Q707 WeakPolarHBondContact O-CB 3.47Å; Q703-Q707 WeakPolarHBondContact O-CG 3.38Å; Q703-Q707 PolarHBondContact O-N 2.73Å; Q703-Q707 VanDerWaalsContact O-N 3.1Å
704	I	95.2	Very high	92.5	Very high	2 Å²	2	59 Å²	59	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-51	175.3	-62.1	169.5	0	0	0	109.1	L583 F640 F667 I688 F701 Q702 Q707 L708	L583-I704 HydrophobicContact CD2-CD1 4.47Å; F640-I704 HydrophobicContact CE1-CD1 4.11Å; F640-I704 HydrophobicContact CZ-CD1 4.06Å; F640-I704 HydrophobicContact CZ-CG2 4.24Å; F667-I704 HydrophobicContact CD1-CG1 4.28Å; F667-I704 HydrophobicContact CD1-CG2 4.36Å; F667-I704 HydrophobicContact CD2-CG2 4.29Å; F667-I704 HydrophobicContact CE1-CB 4.25Å; F667-I704 HydrophobicContact CE1-CG1 4.34Å; F667-I704 HydrophobicContact CE1-CG2 4.01Å; F667-I704 HydrophobicContact CE2-CG2 3.92Å; F667-I704 HydrophobicContact CG-CG2 4.49Å; F667-I704 HydrophobicContact CZ-CB 4.42Å; F667-I704 HydrophobicContact CZ-CG2 3.77Å; I688-I704 HydrophobicContact CD1-CB 4.45Å; I688-I704 HydrophobicContact CD1-CD1 3.54Å; I688-I704 HydrophobicContact CD1-CG1 3.07Å; F701-I704 HydrophobicContact CB-CD1 4.33Å; F701-I704 HydrophobicContact CD1-CD1 3.73Å; F701-I704 HydrophobicContact CG-CD1 4.47Å; F701-I704 VanDerWaalsContact O-CB 3.23Å; F701-I704 WeakPolarHBondContact O-CB 3.38Å; F701-I704 PolarHBondContact O-N 2.94Å; Q702-I704 PolarHBondContact O-N 3.4Å; I704-Q707 PolarHBondContact O-N 3.4Å; I704-L708 VanDerWaalsContact O-CB 3.25Å; I704-L708 WeakPolarHBondContact O-CB 3.41Å; I704-L708 PolarHBondContact O-N 2.86Å
705	W	94.2	Very high	92.5	Very high	6 Å²	6	58.1 Å²	58.1	2%	0.023	28%	0.284	C	S	.	.	H	α-helix	trans	-66	-41.2	-175.6	-73.3	124.4	0	0	0	112.4	I564 L583 I607 R609 Y619 Q702 Q703 Q707 L708 D709	I564-W705 HydrophobicContact CD1-CH2 4.23Å; I564-W705 HydrophobicContact CD1-CZ3 4.45Å; L583-W705 HydrophobicContact CB-CZ2 4.05Å; L583-W705 VanDerWaalsContact O-CZ2 3.23Å; L583-W705 WeakPolarHBondContact O-CZ2 3.27Å; L583-W705 PolarHBondContact O-NE1 2.73Å; I607-W705 HydrophobicContact CD1-CH2 3.91Å; I607-W705 HydrophobicContact CD1-CZ2 4.05Å; R609-W705 HydrophobicContact CB-CH2 3.97Å; R609-W705 HydrophobicContact CB-CZ2 4.18Å; R609-W705 HydrophobicContact CB-CZ3 4.35Å; R609-W705 VanDerWaalsContact CD-CZ3 3.41Å; R609-W705 HydrophobicContact CG-CD2 4.02Å; R609-W705 HydrophobicContact CG-CE3 4.03Å; R609-W705 HydrophobicContact CG-CH2 3.88Å; R609-W705 HydrophobicContact CG-CZ2 3.86Å; R609-W705 HydrophobicContact CG-CZ3 3.98Å; R609-W705 VanDerWaalsContact CZ-CE3 3.5Å; Y619-W705 HydrophobicContact CD1-CH2 4.33Å; Y619-W705 HydrophobicContact CD1-CZ3 4.1Å; Y619-W705 HydrophobicContact CD2-CH2 4.02Å; Y619-W705 HydrophobicContact CD2-CZ3 4.1Å; Y619-W705 AromaticContact CE1-CZ3 3.86Å; Y619-W705 HydrophobicContact CE1-CZ3 3.86Å; Y619-W705 HydrophobicContact CE2-CH2 4.21Å; Y619-W705 AromaticContact CE2-CZ3 3.86Å; Y619-W705 HydrophobicContact CE2-CZ3 3.86Å; Y619-W705 HydrophobicContact CG-CH2 4.1Å; Y619-W705 HydrophobicContact CG-CZ3 4.23Å; Y619-W705 AromaticContact CZ-CZ3 3.74Å; Q702-W705 PolarHBondContact O-N 3.4Å; Q702-W705 VanDerWaalsContact O-N 3.08Å; Q703-W705 VanDerWaalsContact C-N 3.33Å; W705-Q707 VanDerWaalsContact C-N 3.34Å; W705-Q707 PolarHBondContact O-N 3.07Å; W705-L708 HydrophobicContact CE3-CD2 3.85Å; W705-L708 HydrophobicContact CZ3-CD2 3.66Å; W705-L708 PolarHBondContact O-N 3.29Å; W705-D709 PolarHBondContact O-N 3.4Å
706	D	93.1	Very high	92.5	Very high	71 Å²	71	52.4 Å²	52.4	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-41.2	176.5	-64.8	-17.5	0	0	0	111.9	Q702 K710	Q702-D706 PolarHBondContact O-N 3.03Å; Q702-D706 VanDerWaalsContact O-N 3.08Å; D706-K710 WeakPolarHBondContact O-CG 3.47Å; D706-K710 PolarHBondContact O-N 2.94Å
707	Q	94	Very high	92	Very high	64 Å²	64	53.1 Å²	53.1	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-69.7	-38.3	176.7	-70.7	-66.4	-40.9	0	0	111.7	F667 Q703 I704 W705 K710 H711	F667-Q707 HydrophobicContact CE1-CB 4Å; F667-Q707 HydrophobicContact CZ-CB 4.02Å; Q703-Q707 WeakPolarHBondContact O-CB 3.47Å; Q703-Q707 WeakPolarHBondContact O-CG 3.38Å; Q703-Q707 PolarHBondContact O-N 2.73Å; Q703-Q707 VanDerWaalsContact O-N 3.1Å; I704-Q707 PolarHBondContact O-N 3.4Å; W705-Q707 VanDerWaalsContact C-N 3.34Å; W705-Q707 PolarHBondContact O-N 3.07Å; Q707-K710 PolarHBondContact O-N 2.99Å; Q707-H711 WeakPolarHBondContact O-CB 3.47Å; Q707-H711 PolarHBondContact O-N 3.08Å
708	L	93.6	Very high	91.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.5	-40.1	179.2	-169.8	57.2	0	0	0	111.7	I564 Y619 V637 A638 I704 W705 K710 H711 I712	I564-L708 HydrophobicContact CD1-CD2 4.23Å; Y619-L708 HydrophobicContact CE1-CD2 3.91Å; V637-L708 HydrophobicContact CB-CD1 3.83Å; V637-L708 HydrophobicContact CG2-CD1 3.85Å; V637-L708 HydrophobicContact CG2-CD2 4.18Å; V637-L708 HydrophobicContact CG2-CG 4.4Å; A638-L708 HydrophobicContact CB-CD1 3.79Å; A638-L708 HydrophobicContact CB-CD2 4.5Å; I704-L708 VanDerWaalsContact O-CB 3.25Å; I704-L708 WeakPolarHBondContact O-CB 3.41Å; I704-L708 PolarHBondContact O-N 2.86Å; W705-L708 HydrophobicContact CE3-CD2 3.85Å; W705-L708 HydrophobicContact CZ3-CD2 3.66Å; W705-L708 PolarHBondContact O-N 3.29Å; L708-K710 PolarHBondContact O-N 3.04Å; L708-H711 PolarHBondContact O-N 3.4Å; L708-I712 HydrophobicContact CD1-CD1 4.29Å; L708-I712 HydrophobicContact CD1-CG1 4.4Å; L708-I712 HydrophobicContact CG-CD1 3.9Å; L708-I712 HydrophobicContact CG-CG1 4.44Å; L708-I712 VanDerWaalsContact O-CG1 3.28Å; L708-I712 WeakPolarHBondContact O-CG1 3.43Å; L708-I712 PolarHBondContact O-N 3.47Å
709	D	91.4	Very high	91.1	Very high	36 Å²	36	51.8 Å²	51.8	19%	0.193	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-42.6	175.4	-88.4	-18.2	0	0	0	112.7	R609 W705 H711 A713 R720	R609-D709 IonicContact CZ-OD1 2.66Å; R609-D709 IonicContact CZ-OD2 3.63Å; R609-D709 VanDerWaalsContact NH1-CG 3.28Å; R609-D709 IonicContact NH1-OD1 3.58Å; R609-D709 PolarHBondContact NH1-OD1 3.39Å; R609-D709 IonicContact NH1-OD2 3.73Å; R609-D709 PolarHBondContact NH1-OD2 3.26Å; R609-D709 VanDerWaalsContact NH2-CG 3.29Å; R609-D709 IonicContact NH2-OD1 2.83Å; R609-D709 IonicContact NH2-OD2 2.93Å; R609-D709 PolarHBondContact NH2-OD2 3.4Å; W705-D709 PolarHBondContact O-N 3.4Å; D709-H711 VanDerWaalsContact C-N 3.33Å; D709-A713 WeakPolarHBondContact O-CB 3.34Å; D709-A713 PolarHBondContact O-N 2.79Å; D709-R720 PolarHBondContact O-NH2 3.11Å
710	K	92.1	Very high	89.9	Confident	113 Å²	113	55.2 Å²	55.2	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-41.1	174.6	-70.9	171.6	-175.1	175.2	0	111.1	D706 Q707 L708 A713 R714	D706-K710 WeakPolarHBondContact O-CG 3.47Å; D706-K710 PolarHBondContact O-N 2.94Å; Q707-K710 PolarHBondContact O-N 2.99Å; L708-K710 PolarHBondContact O-N 3.04Å; K710-A713 WeakPolarHBondContact O-CB 3.45Å; K710-A713 PolarHBondContact O-N 3.41Å; K710-R714 WeakPolarHBondContact O-CG 3.38Å; K710-R714 PolarHBondContact O-N 3.38Å
711	H	92.9	Very high	87.9	Confident	22 Å²	22	58.3 Å²	58.3	10%	0.102	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-48.1	177.5	-169.8	83	0	0	0	112.2	Q663 K665 Q707 L708 D709 A713 R714 N715	Q663-H711 PolarHBondContact O-CE1 3.26Å; Q663-H711 PolarHBondContact O-NE2 3.1Å; K665-H711 HydrophobicContact CB-CB 4.17Å; K665-H711 PolarHBondContact N-NE2 3.21Å; Q707-H711 WeakPolarHBondContact O-CB 3.47Å; Q707-H711 PolarHBondContact O-N 3.08Å; L708-H711 PolarHBondContact O-N 3.4Å; D709-H711 VanDerWaalsContact C-N 3.33Å; H711-A713 VanDerWaalsContact C-N 3.26Å; H711-A713 PolarHBondContact O-N 3.34Å; H711-R714 PolarHBondContact O-N 3.33Å; H711-R714 VanDerWaalsContact O-N 3.15Å; H711-N715 PolarHBondContact CE1-ND2 2.89Å; H711-N715 PolarHBondContact O-N 2.99Å
712	I	92.3	Very high	87.6	Confident	9 Å²	9	61.2 Å²	61.2	5%	0.046	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-36.2	177.9	-66.6	169.8	0	0	0	110.6	Y619 V637 L708 R714 K716 L719 R720	Y619-I712 HydrophobicContact CE1-CD1 4.18Å; V637-I712 HydrophobicContact CB-CD1 4.13Å; V637-I712 HydrophobicContact CB-CG1 4.02Å; V637-I712 HydrophobicContact CG1-CD1 3.92Å; V637-I712 HydrophobicContact CG1-CG1 3.72Å; V637-I712 HydrophobicContact CG2-CD1 4.33Å; L708-I712 HydrophobicContact CD1-CD1 4.29Å; L708-I712 HydrophobicContact CD1-CG1 4.4Å; L708-I712 HydrophobicContact CG-CD1 3.9Å; L708-I712 HydrophobicContact CG-CG1 4.44Å; L708-I712 VanDerWaalsContact O-CG1 3.28Å; L708-I712 WeakPolarHBondContact O-CG1 3.43Å; L708-I712 PolarHBondContact O-N 3.47Å; I712-R714 VanDerWaalsContact C-N 3.31Å; I712-R714 PolarHBondContact O-N 3.49Å; I712-K716 CarbonylContact O-C 3.25Å; I712-K716 PolarHBondContact O-N 3.29Å; I712-L719 HydrophobicContact CG2-CB 4.48Å; I712-R720 HydrophobicContact CG2-CG 4.07Å
713	A	89.9	Confident	87.3	Confident	42 Å²	42	60.5 Å²	60.5	35%	0.347	30%	0.297	S	S	.	.	H	α-helix	trans	-55	-45.1	173.2	0	0	0	0	0	113.4	D709 K710 H711 R720	D709-A713 WeakPolarHBondContact O-CB 3.34Å; D709-A713 PolarHBondContact O-N 2.79Å; K710-A713 WeakPolarHBondContact O-CB 3.45Å; K710-A713 PolarHBondContact O-N 3.41Å; H711-A713 VanDerWaalsContact C-N 3.26Å; H711-A713 PolarHBondContact O-N 3.34Å; A713-R720 VanDerWaalsContact CA-NH2 3.26Å
714	R	91.3	Very high	86.9	Confident	201 Å²	201	60.1 Å²	60.1	76%	0.758	30%	0.296	S	S	*	.	H	α-helix	trans	-87.9	-45.8	-169.2	-67.8	174.3	-177.1	-176.6	-1.4	112.1	K710 H711 I712	K710-R714 WeakPolarHBondContact O-CG 3.38Å; K710-R714 PolarHBondContact O-N 3.38Å; H711-R714 PolarHBondContact O-N 3.33Å; H711-R714 VanDerWaalsContact O-N 3.15Å; I712-R714 VanDerWaalsContact C-N 3.31Å; I712-R714 PolarHBondContact O-N 3.49Å
715	N	89.1	Confident	86.5	Confident	77 Å²	77	63.5 Å²	63.5	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-103.3	-25.1	-166.4	-67.2	5.9	0	0	0	113.4	H711	H711-N715 PolarHBondContact CE1-ND2 2.89Å; H711-N715 PolarHBondContact O-N 2.99Å
716	K	87.4	Confident	86	Confident	19 Å²	19	67.1 Å²	67.1	8%	0.083	33%	0.331	C	S	.	.			trans	-139.7	58.4	-172.2	-60.7	-169.2	171.7	-166.1	0	112.6	W633 N634 V636 V637 I712 F718 L719	W633-K716 PolarHBondContact O-NZ 3.16Å; N634-K716 VanDerWaalsContact O-CD 3.31Å; N634-K716 WeakPolarHBondContact O-CD 3.41Å; N634-K716 VanDerWaalsContact O-CE 3.3Å; N634-K716 WeakPolarHBondContact O-CE 3.44Å; N634-K716 PolarHBondContact O-NZ 3.3Å; V636-K716 PolarHBondContact O-NZ 3.35Å; V637-K716 HydrophobicContact CG1-CD 4.26Å; I712-K716 CarbonylContact O-C 3.25Å; I712-K716 PolarHBondContact O-N 3.29Å; K716-F718 HydrophobicContact CB-CD1 4.46Å; K716-F718 HydrophobicContact CB-CE1 3.91Å; K716-F718 HydrophobicContact CB-CZ 4.28Å; K716-F718 HydrophobicContact CD-CZ 4.45Å; K716-F718 HydrophobicContact CG-CE1 4.08Å; K716-F718 HydrophobicContact CG-CZ 4.35Å; K716-F718 PolarHBondContact O-N 2.9Å; K716-L719 HydrophobicContact CB-CD1 3.83Å; K716-L719 HydrophobicContact CB-CG 4.26Å; K716-L719 HydrophobicContact CD-CD1 3.96Å; K716-L719 HydrophobicContact CG-CD1 4.48Å; K716-L719 PolarHBondContact O-N 2.95Å; K716-L719 VanDerWaalsContact O-N 3.17Å
717	P	82.7	Confident	85.5	Confident	79 Å²	79	66.8 Å²	66.8	51%	0.513	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.7	-26.8	-176.3	26.7	-35.2	0	0	0	112.9	L719 R720	P717-L719 PolarHBondContact O-N 3.19Å; P717-L719 VanDerWaalsContact O-N 3.14Å; P717-R720 VanDerWaalsContact O-CB 3.29Å; P717-R720 WeakPolarHBondContact O-CB 3.28Å; P717-R720 PolarHBondContact O-N 3.11Å
718	F	84	Confident	84.9	Confident	108 Å²	108	67 Å²	67	47%	0.474	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-64	-16	178.1	65.4	-90.1	0	0	0	114.3	N634 K716	N634-F718 HydrophobicContact CB-CZ 4.31Å; N634-F718 WeakPolarHBondContact O-CZ 3.4Å; K716-F718 HydrophobicContact CB-CD1 4.46Å; K716-F718 HydrophobicContact CB-CE1 3.91Å; K716-F718 HydrophobicContact CB-CZ 4.28Å; K716-F718 HydrophobicContact CD-CZ 4.45Å; K716-F718 HydrophobicContact CG-CE1 4.08Å; K716-F718 HydrophobicContact CG-CZ 4.35Å; K716-F718 PolarHBondContact O-N 2.9Å
719	L	82.2	Confident	84.2	Confident	10 Å²	10	72.2 Å²	72.2	5%	0.052	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-87.5	-6.7	174.5	-61.5	176.3	0	0	0	112.8	P562 R635 V637 I712 K716 P717 S721	P562-L719 HydrophobicContact CB-CD1 4.49Å; R635-L719 HydrophobicContact CB-CD2 4.23Å; R635-L719 HydrophobicContact CG-CD2 4.07Å; V637-L719 HydrophobicContact CG1-CD1 3.56Å; I712-L719 HydrophobicContact CG2-CB 4.48Å; K716-L719 HydrophobicContact CB-CD1 3.83Å; K716-L719 HydrophobicContact CB-CG 4.26Å; K716-L719 HydrophobicContact CD-CD1 3.96Å; K716-L719 HydrophobicContact CG-CD1 4.48Å; K716-L719 PolarHBondContact O-N 2.95Å; K716-L719 VanDerWaalsContact O-N 3.17Å; P717-L719 PolarHBondContact O-N 3.19Å; P717-L719 VanDerWaalsContact O-N 3.14Å; L719-S721 PolarHBondContact O-N 3.37Å; L719-S721 VanDerWaalsContact O-N 3.12Å
720	R	66.8	Low	83.6	Confident	128 Å²	128	75.2 Å²	75.2	48%	0.483	37%	0.368	S	S	.	.			trans	-75.4	99.7	172.6	-65.2	-177.5	162.6	-130.1	-12	108.4	D709 I712 A713 P717	D709-R720 PolarHBondContact O-NH2 3.11Å; I712-R720 HydrophobicContact CG2-CG 4.07Å; A713-R720 VanDerWaalsContact CA-NH2 3.26Å; P717-R720 VanDerWaalsContact O-CB 3.29Å; P717-R720 WeakPolarHBondContact O-CB 3.28Å; P717-R720 PolarHBondContact O-N 3.11Å
721	S	53	Low	82.9	Confident	94 Å²	94	71.7 Å²	71.7	66%	0.657	36%	0.357	S	S	*	.			trans	-100.8	0	163	70.1	0	0	0	0	111	R615 L719	R615-S721 PolarHBondContact NH1-OXT 2.95Å; L719-S721 PolarHBondContact O-N 3.37Å; L719-S721 VanDerWaalsContact O-N 3.12Å

Retrieved 721 of 721 residues in 1034.6 ms (Link to these results)

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