A0A096N0B1_PAPAN Loading...

Zinc finger protein 681

AlphaFold DB (A0A0A0MXF3), UniProt , Accession A0A096N0B1, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF681, Length 619 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	51.3	Low	67.4	Low	242 Å²	242	96.2 Å²	96.2	100%	1.192	48%	0.481	S	S	*	.				0	149.8	0	-69.5	174.5	175.5	0	0	107.7
2	E	47.9	Very low	67.6	Low	136 Å²	136	100.8 Å²	100.8	64%	0.636	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-72.5	140	166.3	-165.9	178.3	159.6	0	0	108.7	L4 K5 R7	E2-L4 PolarHBondContact O-N 2.89Å; E2-K5 IonicContact OE1-NZ 2.84Å; E2-K5 PolarHBondContact OE1-NZ 2.95Å; E2-R7 IonicContact OE1-NH2 3.79Å
3	P	62.8	Low	67.7	Low	94 Å²	94	99.2 Å²	99.2	61%	0.61	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-66.7	132.3	176.7	26.2	-34.2	0	0	0	110.7	K5	P3-K5 WeakPolarHBondContact O-CE 3.3Å
4	L	67	Low	67.7	Low	82 Å²	82	95.1 Å²	95.1	43%	0.429	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-62.1	135.6	179.6	-176.6	140.6	0	0	0	110.6	E2 D8 V9 L40 I45	E2-L4 PolarHBondContact O-N 2.89Å; L4-D8 HydrophobicContact CG-CB 4.37Å; L4-V9 HydrophobicContact CD2-CG1 4.12Å; L4-L40 HydrophobicContact CD2-CD1 4.2Å; L4-L40 HydrophobicContact CD2-CD2 3.6Å; L4-I45 WeakPolarHBondContact O-CG2 3.46Å
5	K	73.5	Confident	67.2	Low	76 Å²	76	93.2 Å²	93.2	33%	0.33	47%	0.466	S	S	.	.			trans	-115.9	157.8	-174.8	-71.4	151.2	-171.5	-179.6	0	110.1	E2 P3 R7 D8	E2-K5 IonicContact OE1-NZ 2.84Å; E2-K5 PolarHBondContact OE1-NZ 2.95Å; P3-K5 WeakPolarHBondContact O-CE 3.3Å; K5-R7 HydrophobicContact CB-CG 4.17Å; K5-R7 PolarHBondContact O-N 3.31Å; K5-D8 PolarHBondContact N-OD2 2.93Å; K5-D8 WeakPolarHBondContact O-CB 3.4Å; K5-D8 PolarHBondContact O-N 3.17Å
6	F	74.6	Confident	67.1	Low	24 Å²	24	95.1 Å²	95.1	11%	0.105	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-54.1	-40.2	-179	177.4	-97.6	0	0	0	112.8	D8 V9 A10 M33 N36 Y37 L40 P50 L52 I53	F6-D8 PolarHBondContact O-N 3.16Å; F6-D8 VanDerWaalsContact O-N 3.11Å; F6-V9 CarbonylContact O-C 3.53Å; F6-V9 WeakPolarHBondContact O-CG2 3.47Å; F6-V9 PolarHBondContact O-N 3.34Å; F6-A10 HydrophobicContact CD1-CB 3.95Å; F6-A10 HydrophobicContact CE1-CB 3.51Å; F6-A10 HydrophobicContact CZ-CB 3.92Å; F6-A10 WeakPolarHBondContact O-CB 3.35Å; F6-A10 PolarHBondContact O-N 2.89Å; F6-M33 HydrophobicContact CZ-SD 4.42Å; F6-N36 HydrophobicContact CE2-CB 4.48Å; F6-Y37 AromaticContact CD2-CD2 3.99Å; F6-Y37 HydrophobicContact CD2-CD2 3.99Å; F6-Y37 HydrophobicContact CE2-CD2 4.42Å; F6-L40 HydrophobicContact CB-CD1 4.25Å; F6-L40 HydrophobicContact CD2-CD1 4.16Å; F6-P50 HydrophobicContact CB-CG 4.08Å; F6-P50 HydrophobicContact CD1-CB 4.09Å; F6-P50 HydrophobicContact CD1-CG 3.53Å; F6-P50 HydrophobicContact CE1-CB 4.44Å; F6-P50 HydrophobicContact CE1-CG 4.17Å; F6-P50 HydrophobicContact CG-CG 3.8Å; F6-L52 HydrophobicContact CE1-CD2 4.45Å; F6-I53 HydrophobicContact CE1-CD1 4.27Å; F6-I53 HydrophobicContact CE1-CG1 4.16Å; F6-I53 HydrophobicContact CE2-CD1 3.93Å; F6-I53 HydrophobicContact CE2-CG1 4.25Å; F6-I53 HydrophobicContact CZ-CD1 3.56Å; F6-I53 HydrophobicContact CZ-CG1 3.89Å
7	R	72.1	Confident	67.2	Low	152 Å²	152	95.5 Å²	95.5	57%	0.574	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-56.2	-25.3	175.2	78.1	-168.3	179.9	-178.7	1.2	114.2	E2 K5 V9	E2-R7 IonicContact OE1-NH2 3.79Å; K5-R7 HydrophobicContact CB-CG 4.17Å; K5-R7 PolarHBondContact O-N 3.31Å; R7-V9 VanDerWaalsContact C-N 3.27Å; R7-V9 PolarHBondContact O-N 3.33Å
8	D	74.4	Confident	67.5	Low	85 Å²	85	90.6 Å²	90.6	46%	0.455	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-82.4	-8.9	-177.1	-44.1	-27.3	0	0	0	111.4	L4 K5 F6	L4-D8 HydrophobicContact CG-CB 4.37Å; K5-D8 PolarHBondContact N-OD2 2.93Å; K5-D8 WeakPolarHBondContact O-CB 3.4Å; K5-D8 PolarHBondContact O-N 3.17Å; F6-D8 PolarHBondContact O-N 3.16Å; F6-D8 VanDerWaalsContact O-N 3.11Å
9	V	72.2	Confident	67.6	Low	51 Å²	51	93.2 Å²	93.2	31%	0.309	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	3	173	-59.2	0	0	0	0	113.2	L4 F6 R7 N36 L40	L4-V9 HydrophobicContact CD2-CG1 4.12Å; F6-V9 CarbonylContact O-C 3.53Å; F6-V9 WeakPolarHBondContact O-CG2 3.47Å; F6-V9 PolarHBondContact O-N 3.34Å; R7-V9 VanDerWaalsContact C-N 3.27Å; R7-V9 PolarHBondContact O-N 3.33Å; V9-N36 PolarHBondContact O-ND2 2.96Å; V9-L40 HydrophobicContact CG2-CD1 3.55Å; V9-L40 HydrophobicContact CG2-CG 4.42Å
10	A	73	Confident	67.8	Low	19 Å²	19	94 Å²	94	16%	0.157	47%	0.473	C	S	.	.			trans	-85.4	145.4	172.1	0	0	0	0	0	109.5	F6 M33	F6-A10 HydrophobicContact CD1-CB 3.95Å; F6-A10 HydrophobicContact CE1-CB 3.51Å; F6-A10 HydrophobicContact CZ-CB 3.92Å; F6-A10 WeakPolarHBondContact O-CB 3.35Å; F6-A10 PolarHBondContact O-N 2.89Å; A10-M33 HydrophobicContact CB-SD 4.4Å
11	I	72.4	Confident	67.8	Low	97 Å²	97	91 Å²	91	50%	0.497	46%	0.458	S	S	.	.			trans	-109.5	120	166.5	-60.8	172.5	0	0	0	105.3	F13 Y29 M33	I11-F13 HydrophobicContact CG2-CE2 4.45Å; I11-F13 HydrophobicContact CG2-CZ 4.32Å; I11-Y29 HydrophobicContact CB-CE2 4.38Å; I11-Y29 WeakPolarHBondContact O-CE2 3.28Å; I11-Y29 VanDerWaalsContact O-CZ 3.28Å; I11-Y29 PolarHBondContact O-OH 3.4Å; I11-M33 HydrophobicContact CB-CE 3.85Å; I11-M33 HydrophobicContact CD1-CE 4.31Å; I11-M33 HydrophobicContact CG1-CE 4.05Å
12	E	70.6	Confident	68.7	Low	151 Å²	151	83 Å²	83	71%	0.706	42%	0.421	S	S	*	.			trans	-96.7	138.7	171.8	-67.4	-179.2	-170.3	0	0	108.4
13	F	68.4	Low	69.8	Low	80 Å²	80	81.3 Å²	81.3	35%	0.351	42%	0.42	S	S	.	.			trans	-112	146.2	176.8	-78	-63.2	0	0	0	110	I11 E17 W18 L21 Y29	I11-F13 HydrophobicContact CG2-CE2 4.45Å; I11-F13 HydrophobicContact CG2-CZ 4.32Å; F13-E17 HydrophobicContact CB-CB 4.29Å; F13-E17 HydrophobicContact CD1-CB 3.9Å; F13-W18 HydrophobicContact CB-CE3 4.22Å; F13-W18 AromaticContact CD2-CE3 3.81Å; F13-W18 HydrophobicContact CD2-CE3 3.81Å; F13-W18 HydrophobicContact CD2-CZ3 4.06Å; F13-W18 HydrophobicContact CG-CE3 4.4Å; F13-L21 HydrophobicContact CD2-CD1 3.94Å; F13-L21 HydrophobicContact CE2-CD1 3.68Å; F13-L21 HydrophobicContact CZ-CD1 4.05Å; F13-Y29 AromaticContact CD2-CD2 3.9Å; F13-Y29 HydrophobicContact CD2-CD2 3.9Å; F13-Y29 AromaticContact CD2-CE2 3.69Å; F13-Y29 HydrophobicContact CD2-CE2 3.69Å; F13-Y29 AromaticContact CE2-CD2 3.51Å; F13-Y29 HydrophobicContact CE2-CD2 3.51Å; F13-Y29 AromaticContact CE2-CE2 3.7Å; F13-Y29 HydrophobicContact CE2-CE2 3.7Å; F13-Y29 HydrophobicContact CE2-CG 4.36Å
14	S	67.3	Low	70.2	Confident	43 Å²	43	83.4 Å²	83.4	30%	0.301	42%	0.424	S	S	.	.			trans	-69	167.1	165.7	99.6	0	0	0	0	111.5	E16 E17 W18	S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 WeakPolarHBondContact CB-OE2 3.47Å; S14-E16 PolarHBondContact O-N 3.19Å; S14-E16 PolarHBondContact OG-N 3.2Å; S14-E16 PolarHBondContact OG-OE2 3.23Å; S14-E17 PolarHBondContact N-OE2 2.69Å; S14-E17 PolarHBondContact O-N 3.32Å; S14-E17 WeakPolarHBondContact OG-CG 3.48Å; S14-E17 PolarHBondContact OG-N 3.32Å; S14-W18 WeakPolarHBondContact O-CB 3.33Å; S14-W18 PolarHBondContact O-N 3.42Å
15	L	61.3	Low	70.2	Confident	66 Å²	66	82.1 Å²	82.1	35%	0.346	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-42	175.3	176.1	59	0	0	0	110.9	W18 Q19 W63	L15-W18 PolarHBondContact O-N 3.25Å; L15-Q19 HydrophobicContact CD1-CG 4.34Å; L15-Q19 WeakPolarHBondContact O-CB 3.4Å; L15-Q19 VanDerWaalsContact O-CG 3.29Å; L15-Q19 WeakPolarHBondContact O-CG 3.13Å; L15-Q19 PolarHBondContact O-N 3.48Å; L15-W63 HydrophobicContact CD1-CD2 3.84Å; L15-W63 HydrophobicContact CD1-CG 3.81Å; L15-W63 HydrophobicContact CD1-CZ2 4.28Å
16	E	65.5	Low	70.3	Confident	123 Å²	123	80.7 Å²	80.7	58%	0.575	41%	0.411	S	S	*	.	H	α-helix	trans	-66.8	-42.1	179.8	-52.7	72.7	-157.6	0	0	110.8	S14 C20	S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 WeakPolarHBondContact CB-OE2 3.47Å; S14-E16 PolarHBondContact O-N 3.19Å; S14-E16 PolarHBondContact OG-N 3.2Å; S14-E16 PolarHBondContact OG-OE2 3.23Å; E16-C20 PolarHBondContact O-N 2.87Å; E16-C20 PolarHBondContact O-SG 3.01Å
17	E	69.1	Low	70.3	Confident	103 Å²	103	82.8 Å²	82.8	48%	0.481	42%	0.423	S	S	.	.	H	α-helix	trans	-65.2	-43.8	174	-68.5	177.6	139.7	0	0	111.9	F13 S14 C20	F13-E17 HydrophobicContact CB-CB 4.29Å; F13-E17 HydrophobicContact CD1-CB 3.9Å; S14-E17 PolarHBondContact N-OE2 2.69Å; S14-E17 PolarHBondContact O-N 3.32Å; S14-E17 WeakPolarHBondContact OG-CG 3.48Å; S14-E17 PolarHBondContact OG-N 3.32Å; E17-C20 WeakPolarHBondContact O-CB 3.22Å; E17-C20 PolarHBondContact O-N 3.22Å; E17-C20 VanDerWaalsContact O-N 3.12Å
18	W	72.1	Confident	70.6	Confident	7 Å²	7	80.9 Å²	80.9	3%	0.027	42%	0.424	C	S	.	.	H	α-helix	trans	-66.4	-39.1	179	-170.8	-78.4	0	0	0	112.5	F13 S14 L15 C20 L21 Q26 Y29 P62 W63	F13-W18 HydrophobicContact CB-CE3 4.22Å; F13-W18 AromaticContact CD2-CE3 3.81Å; F13-W18 HydrophobicContact CD2-CE3 3.81Å; F13-W18 HydrophobicContact CD2-CZ3 4.06Å; F13-W18 HydrophobicContact CG-CE3 4.4Å; S14-W18 WeakPolarHBondContact O-CB 3.33Å; S14-W18 PolarHBondContact O-N 3.42Å; L15-W18 PolarHBondContact O-N 3.25Å; W18-C20 PolarHBondContact O-N 3.33Å; W18-L21 HydrophobicContact CD2-CD1 4.18Å; W18-L21 HydrophobicContact CE3-CD1 3.93Å; W18-L21 HydrophobicContact CZ3-CD1 4.37Å; W18-L21 WeakPolarHBondContact O-CB 3.41Å; W18-L21 PolarHBondContact O-N 3.04Å; W18-Q26 HydrophobicContact CD2-CG 4.41Å; W18-Q26 HydrophobicContact CH2-CB 4.26Å; W18-Q26 HydrophobicContact CH2-CG 4.46Å; W18-Q26 HydrophobicContact CZ2-CB 3.6Å; W18-Q26 HydrophobicContact CZ2-CG 3.63Å; W18-Y29 AromaticContact CH2-CD1 3.44Å; W18-Y29 HydrophobicContact CH2-CD1 3.44Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.44Å; W18-Y29 AromaticContact CH2-CE1 3.92Å; W18-Y29 HydrophobicContact CH2-CE1 3.92Å; W18-Y29 HydrophobicContact CH2-CG 4.04Å; W18-Y29 AromaticContact CZ3-CD1 3.35Å; W18-Y29 HydrophobicContact CZ3-CD1 3.35Å; W18-Y29 HydrophobicContact CZ3-CD2 4.32Å; W18-Y29 AromaticContact CZ3-CE1 3.53Å; W18-Y29 HydrophobicContact CZ3-CE1 3.53Å; W18-Y29 HydrophobicContact CZ3-CE2 4.45Å; W18-Y29 AromaticContact CZ3-CG 3.75Å; W18-Y29 HydrophobicContact CZ3-CG 3.75Å; W18-P62 HydrophobicContact CE3-CG 4.39Å; W18-P62 HydrophobicContact CH2-CG 4.19Å; W18-P62 HydrophobicContact CZ2-CG 4.39Å; W18-P62 HydrophobicContact CZ3-CG 4.2Å; W18-W63 HydrophobicContact CB-CZ3 4.16Å; W18-W63 AromaticContact CD1-CH2 3.17Å; W18-W63 AromaticContact CD1-CZ3 3.13Å; W18-W63 HydrophobicContact CD2-CH2 4.48Å; W18-W63 AromaticContact CD2-CZ3 3.72Å; W18-W63 HydrophobicContact CD2-CZ3 3.72Å; W18-W63 AromaticContact CE2-CZ3 3.63Å; W18-W63 HydrophobicContact CG-CE3 4.17Å; W18-W63 AromaticContact CG-CH2 3.91Å; W18-W63 HydrophobicContact CG-CH2 3.91Å; W18-W63 AromaticContact CG-CZ3 3.4Å; W18-W63 HydrophobicContact CG-CZ3 3.4Å; W18-W63 HydrophobicContact CZ2-CZ3 4.5Å; W18-W63 AromaticContact NE1-CH2 3.32Å; W18-W63 VanDerWaalsContact NE1-CH2 3.32Å; W18-W63 AromaticContact NE1-CZ3 3.27Å; W18-W63 VanDerWaalsContact NE1-CZ3 3.27Å
19	Q	69.5	Low	71	Confident	139 Å²	139	77.9 Å²	77.9	65%	0.65	41%	0.406	S	S	*	.	H	α-helix	trans	-64.1	-18.2	174.4	-74.2	177.5	2.6	0	0	112.8	L15	L15-Q19 HydrophobicContact CD1-CG 4.34Å; L15-Q19 WeakPolarHBondContact O-CB 3.4Å; L15-Q19 VanDerWaalsContact O-CG 3.29Å; L15-Q19 WeakPolarHBondContact O-CG 3.13Å; L15-Q19 PolarHBondContact O-N 3.48Å
20	C	70.4	Confident	71.3	Confident	109 Å²	109	77.1 Å²	77.1	74%	0.736	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.9	170.6	-64.1	0	0	0	0	114.1	E16 E17 W18	E16-C20 PolarHBondContact O-N 2.87Å; E16-C20 PolarHBondContact O-SG 3.01Å; E17-C20 WeakPolarHBondContact O-CB 3.22Å; E17-C20 PolarHBondContact O-N 3.22Å; E17-C20 VanDerWaalsContact O-N 3.12Å; W18-C20 PolarHBondContact O-N 3.33Å
21	L	69.2	Low	71.3	Confident	31 Å²	31	81.2 Å²	81.2	16%	0.162	42%	0.417	C	S	.	.	S	Bend	trans	-88.4	133.6	178.3	-58.3	179.7	0	0	0	111.5	F13 W18 Q25 Q26	F13-L21 HydrophobicContact CD2-CD1 3.94Å; F13-L21 HydrophobicContact CE2-CD1 3.68Å; F13-L21 HydrophobicContact CZ-CD1 4.05Å; W18-L21 HydrophobicContact CD2-CD1 4.18Å; W18-L21 HydrophobicContact CE3-CD1 3.93Å; W18-L21 HydrophobicContact CZ3-CD1 4.37Å; W18-L21 WeakPolarHBondContact O-CB 3.41Å; W18-L21 PolarHBondContact O-N 3.04Å; L21-Q25 HydrophobicContact CB-CB 4.15Å; L21-Q25 HydrophobicContact CD2-CB 4.37Å; L21-Q26 HydrophobicContact CB-CG 3.76Å; L21-Q26 PolarHBondContact O-NE2 2.87Å
22	D	70.3	Confident	71.7	Confident	75 Å²	75	79.2 Å²	79.2	40%	0.401	41%	0.409	S	S	.	.			trans	-74.4	161.7	171.5	74.5	53.9	0	0	0	112.5	I24 Q25 Q26	D22-I24 PolarHBondContact O-N 3.4Å; D22-I24 WeakPolarHBondContact OD1-CA 3.21Å; D22-I24 VanDerWaalsContact OD1-CB 3.27Å; D22-I24 WeakPolarHBondContact OD1-CB 3.5Å; D22-I24 PolarHBondContact OD1-N 2.61Å; D22-Q25 WeakPolarHBondContact O-CA 3.47Å; D22-Q25 WeakPolarHBondContact O-CB 3.41Å; D22-Q25 PolarHBondContact O-N 3.26Å; D22-Q25 PolarHBondContact OD1-N 2.88Å; D22-Q25 VanDerWaalsContact OD2-CD 3.3Å; D22-Q25 PolarHBondContact OD2-NE2 2.84Å; D22-Q26 WeakPolarHBondContact O-CG 3.5Å; D22-Q26 PolarHBondContact O-N 3.06Å
23	T	69.9	Low	72.3	Confident	100 Å²	100	72.2 Å²	72.2	61%	0.613	38%	0.376	S	S	*	.	H	α-helix	trans	-58	-24.2	-176.5	-39.3	0	0	0	0	113.9	N27	T23-N27 WeakPolarHBondContact O-CB 3.49Å; T23-N27 PolarHBondContact O-N 3.11Å; T23-N27 PolarHBondContact O-ND2 3.46Å
24	I	71	Confident	72.8	Confident	138 Å²	138	69.5 Å²	69.5	71%	0.708	37%	0.365	S	S	*	.	H	α-helix	trans	-79.2	-39.9	176	-54.4	176.3	0	0	0	109.7	D22 N27 L28	D22-I24 PolarHBondContact O-N 3.4Å; D22-I24 WeakPolarHBondContact OD1-CA 3.21Å; D22-I24 VanDerWaalsContact OD1-CB 3.27Å; D22-I24 WeakPolarHBondContact OD1-CB 3.5Å; D22-I24 PolarHBondContact OD1-N 2.61Å; I24-N27 PolarHBondContact O-N 3.43Å; I24-L28 WeakPolarHBondContact O-CB 3.44Å; I24-L28 PolarHBondContact O-N 3.07Å
25	Q	67.4	Low	73.4	Confident	56 Å²	56	72.8 Å²	72.8	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-65.5	-42.8	174.9	-63.9	172.2	20.3	0	0	111.9	L21 D22 N27 L28 Y29	L21-Q25 HydrophobicContact CB-CB 4.15Å; L21-Q25 HydrophobicContact CD2-CB 4.37Å; D22-Q25 WeakPolarHBondContact O-CA 3.47Å; D22-Q25 WeakPolarHBondContact O-CB 3.41Å; D22-Q25 PolarHBondContact O-N 3.26Å; D22-Q25 PolarHBondContact OD1-N 2.88Å; D22-Q25 VanDerWaalsContact OD2-CD 3.3Å; D22-Q25 PolarHBondContact OD2-NE2 2.84Å; Q25-N27 PolarHBondContact O-N 3.27Å; Q25-L28 PolarHBondContact O-N 3.25Å; Q25-Y29 PolarHBondContact O-N 3.06Å
26	Q	74.8	Confident	74.2	Confident	46 Å²	46	72 Å²	72	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-42.7	175	-65.4	-178	16.3	0	0	112	W18 L21 D22 Y29 R30	W18-Q26 HydrophobicContact CD2-CG 4.41Å; W18-Q26 HydrophobicContact CH2-CB 4.26Å; W18-Q26 HydrophobicContact CH2-CG 4.46Å; W18-Q26 HydrophobicContact CZ2-CB 3.6Å; W18-Q26 HydrophobicContact CZ2-CG 3.63Å; L21-Q26 HydrophobicContact CB-CG 3.76Å; L21-Q26 PolarHBondContact O-NE2 2.87Å; D22-Q26 WeakPolarHBondContact O-CG 3.5Å; D22-Q26 PolarHBondContact O-N 3.06Å; Q26-Y29 PolarHBondContact O-N 3.49Å; Q26-R30 PolarHBondContact O-N 2.85Å
27	N	75.2	Confident	74.9	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-70.2	-35.6	174.8	-80.8	-47.8	0	0	0	113	T23 I24 Q25 Y29 R30 N31	T23-N27 WeakPolarHBondContact O-CB 3.49Å; T23-N27 PolarHBondContact O-N 3.11Å; T23-N27 PolarHBondContact O-ND2 3.46Å; I24-N27 PolarHBondContact O-N 3.43Å; Q25-N27 PolarHBondContact O-N 3.27Å; N27-Y29 VanDerWaalsContact C-N 3.35Å; N27-R30 PolarHBondContact O-N 2.97Å; N27-N31 PolarHBondContact O-N 2.67Å; N27-N31 VanDerWaalsContact O-N 3.09Å; N27-N31 PolarHBondContact O-ND2 3.35Å
28	L	78.6	Confident	75.2	Confident	112 Å²	112	70.4 Å²	70.4	59%	0.586	36%	0.357	S	S	*	.	H	α-helix	trans	-62.7	-43.5	172.8	179	60.9	0	0	0	111	I24 Q25 N31 V32	I24-L28 WeakPolarHBondContact O-CB 3.44Å; I24-L28 PolarHBondContact O-N 3.07Å; Q25-L28 PolarHBondContact O-N 3.25Å; L28-N31 PolarHBondContact O-N 3.34Å; L28-V32 HydrophobicContact CD1-CG2 4.14Å; L28-V32 HydrophobicContact CG-CG2 4.49Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 3.48Å
29	Y	82.5	Confident	75.4	Confident	21 Å²	21	73.8 Å²	73.8	8%	0.082	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-48	174.4	174.4	-86.4	0	0	0	112.1	I11 F13 W18 Q25 Q26 N27 N31 V32 M33 L56	I11-Y29 HydrophobicContact CB-CE2 4.38Å; I11-Y29 WeakPolarHBondContact O-CE2 3.28Å; I11-Y29 VanDerWaalsContact O-CZ 3.28Å; I11-Y29 PolarHBondContact O-OH 3.4Å; F13-Y29 AromaticContact CD2-CD2 3.9Å; F13-Y29 HydrophobicContact CD2-CD2 3.9Å; F13-Y29 AromaticContact CD2-CE2 3.69Å; F13-Y29 HydrophobicContact CD2-CE2 3.69Å; F13-Y29 AromaticContact CE2-CD2 3.51Å; F13-Y29 HydrophobicContact CE2-CD2 3.51Å; F13-Y29 AromaticContact CE2-CE2 3.7Å; F13-Y29 HydrophobicContact CE2-CE2 3.7Å; F13-Y29 HydrophobicContact CE2-CG 4.36Å; W18-Y29 AromaticContact CH2-CD1 3.44Å; W18-Y29 HydrophobicContact CH2-CD1 3.44Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.44Å; W18-Y29 AromaticContact CH2-CE1 3.92Å; W18-Y29 HydrophobicContact CH2-CE1 3.92Å; W18-Y29 HydrophobicContact CH2-CG 4.04Å; W18-Y29 AromaticContact CZ3-CD1 3.35Å; W18-Y29 HydrophobicContact CZ3-CD1 3.35Å; W18-Y29 HydrophobicContact CZ3-CD2 4.32Å; W18-Y29 AromaticContact CZ3-CE1 3.53Å; W18-Y29 HydrophobicContact CZ3-CE1 3.53Å; W18-Y29 HydrophobicContact CZ3-CE2 4.45Å; W18-Y29 AromaticContact CZ3-CG 3.75Å; W18-Y29 HydrophobicContact CZ3-CG 3.75Å; Q25-Y29 PolarHBondContact O-N 3.06Å; Q26-Y29 PolarHBondContact O-N 3.49Å; N27-Y29 VanDerWaalsContact C-N 3.35Å; Y29-N31 PolarHBondContact O-N 3.33Å; Y29-V32 PolarHBondContact O-N 3.24Å; Y29-M33 HydrophobicContact CD1-CG 4.09Å; Y29-M33 HydrophobicContact CD2-CE 4.14Å; Y29-M33 HydrophobicContact CD2-CG 4.12Å; Y29-M33 HydrophobicContact CE1-CG 3.75Å; Y29-M33 HydrophobicContact CE2-CE 3.85Å; Y29-M33 HydrophobicContact CE2-CG 3.79Å; Y29-M33 HydrophobicContact CE2-SD 4.3Å; Y29-M33 HydrophobicContact CG-CG 4.29Å; Y29-M33 WeakPolarHBondContact O-CG 3.05Å; Y29-M33 PolarHBondContact O-N 2.92Å; Y29-L56 HydrophobicContact CD1-CD2 4.13Å; Y29-L56 HydrophobicContact CE1-CD1 3.9Å; Y29-L56 HydrophobicContact CE1-CD2 3.9Å
30	R	77.9	Confident	75.6	Confident	36 Å²	36	67.8 Å²	67.8	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-51.1	-55.1	174.1	-88.2	-177.3	-179.4	164.6	4.3	110.9	Q26 N27 V32 M33 L34 L56 E59 K60	Q26-R30 PolarHBondContact O-N 2.85Å; N27-R30 PolarHBondContact O-N 2.97Å; R30-V32 PolarHBondContact O-N 3.16Å; R30-M33 PolarHBondContact O-N 3.07Å; R30-L34 WeakPolarHBondContact O-CB 3.41Å; R30-L34 WeakPolarHBondContact O-CG 3.3Å; R30-L34 PolarHBondContact O-N 3.38Å; R30-L56 HydrophobicContact CG-CB 4.16Å; R30-L56 HydrophobicContact CG-CD2 3.52Å; R30-L56 HydrophobicContact CG-CG 4.35Å; R30-E59 PolarHBondContact NH1-O 3.25Å; R30-E59 PolarHBondContact NH2-O 3.27Å; R30-K60 PolarHBondContact NH2-O 3.46Å
31	N	74.1	Confident	75.8	Confident	104 Å²	104	65.8 Å²	65.8	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-59	-46.8	-178.2	-75.1	-68.1	0	0	0	112.4	N27 L28 Y29 L34 E35	N27-N31 PolarHBondContact O-N 2.67Å; N27-N31 VanDerWaalsContact O-N 3.09Å; N27-N31 PolarHBondContact O-ND2 3.35Å; L28-N31 PolarHBondContact O-N 3.34Å; Y29-N31 PolarHBondContact O-N 3.33Å; N31-L34 PolarHBondContact O-N 3.19Å; N31-E35 VanDerWaalsContact O-CB 3.25Å; N31-E35 WeakPolarHBondContact O-CB 3.5Å; N31-E35 PolarHBondContact O-N 3.32Å
32	V	80.9	Confident	75.9	Confident	55 Å²	55	72.8 Å²	72.8	33%	0.333	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-41.2	-179.6	172.9	0	0	0	0	112.3	L28 Y29 R30 E35 N36	L28-V32 HydrophobicContact CD1-CG2 4.14Å; L28-V32 HydrophobicContact CG-CG2 4.49Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 3.48Å; Y29-V32 PolarHBondContact O-N 3.24Å; R30-V32 PolarHBondContact O-N 3.16Å; V32-E35 PolarHBondContact O-N 3.21Å; V32-N36 WeakPolarHBondContact O-CB 3.27Å; V32-N36 VanDerWaalsContact O-CG 3.24Å; V32-N36 PolarHBondContact O-N 2.89Å; V32-N36 PolarHBondContact O-OD1 2.68Å
33	M	82.3	Confident	76.1	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.02	37%	0.371	C	S	.	.	H	α-helix	trans	-69.4	-39.6	178.7	-67.5	-59.7	138.1	0	0	112.2	F6 A10 I11 Y29 R30 Y37 I53 L56	F6-M33 HydrophobicContact CZ-SD 4.42Å; A10-M33 HydrophobicContact CB-SD 4.4Å; I11-M33 HydrophobicContact CB-CE 3.85Å; I11-M33 HydrophobicContact CD1-CE 4.31Å; I11-M33 HydrophobicContact CG1-CE 4.05Å; Y29-M33 HydrophobicContact CD1-CG 4.09Å; Y29-M33 HydrophobicContact CD2-CE 4.14Å; Y29-M33 HydrophobicContact CD2-CG 4.12Å; Y29-M33 HydrophobicContact CE1-CG 3.75Å; Y29-M33 HydrophobicContact CE2-CE 3.85Å; Y29-M33 HydrophobicContact CE2-CG 3.79Å; Y29-M33 HydrophobicContact CE2-SD 4.3Å; Y29-M33 HydrophobicContact CG-CG 4.29Å; Y29-M33 WeakPolarHBondContact O-CG 3.05Å; Y29-M33 PolarHBondContact O-N 2.92Å; R30-M33 PolarHBondContact O-N 3.07Å; M33-Y37 WeakPolarHBondContact O-CB 3.44Å; M33-Y37 PolarHBondContact O-N 3.13Å; M33-I53 HydrophobicContact CB-CD1 4.3Å; M33-I53 WeakPolarHBondContact O-CD1 3.27Å; M33-L56 HydrophobicContact CB-CD1 3.81Å; M33-L56 HydrophobicContact CG-CD1 4.37Å
34	L	79.3	Confident	76.2	Confident	23 Å²	23	73 Å²	73	12%	0.12	37%	0.374	C	S	.	.	H	α-helix	trans	-66.4	-38.6	174.2	-64.6	178.5	0	0	0	111.9	R30 N31 R38 I53 L56 E57	R30-L34 WeakPolarHBondContact O-CB 3.41Å; R30-L34 WeakPolarHBondContact O-CG 3.3Å; R30-L34 PolarHBondContact O-N 3.38Å; N31-L34 PolarHBondContact O-N 3.19Å; L34-R38 WeakPolarHBondContact O-CB 3.41Å; L34-R38 VanDerWaalsContact O-CG 3.24Å; L34-R38 WeakPolarHBondContact O-CG 3.48Å; L34-R38 PolarHBondContact O-N 3.12Å; L34-I53 HydrophobicContact CD2-CD1 4.11Å; L34-I53 HydrophobicContact CD2-CG2 3.86Å; L34-L56 HydrophobicContact CD2-CB 4.19Å; L34-E57 HydrophobicContact CD1-CG 4.38Å; L34-E57 HydrophobicContact CD2-CG 3.6Å
35	E	79.6	Confident	76.1	Confident	113 Å²	113	69.6 Å²	69.6	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-67.6	-45.5	175.1	-173.8	171.4	-170.5	0	0	111.7	N31 V32 Y37 R38 N39	N31-E35 VanDerWaalsContact O-CB 3.25Å; N31-E35 WeakPolarHBondContact O-CB 3.5Å; N31-E35 PolarHBondContact O-N 3.32Å; V32-E35 PolarHBondContact O-N 3.21Å; E35-Y37 VanDerWaalsContact C-N 3.31Å; E35-Y37 PolarHBondContact O-N 3.02Å; E35-R38 PolarHBondContact O-N 2.85Å; E35-N39 WeakPolarHBondContact O-CB 3.4Å; E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 2.88Å; E35-N39 PolarHBondContact O-ND2 2.91Å
36	N	78.4	Confident	76.1	Confident	49 Å²	49	68 Å²	68	26%	0.262	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-42.5	173.8	-77.1	-1.5	0	0	0	111.8	F6 V9 V32 N39 L40	F6-N36 HydrophobicContact CE2-CB 4.48Å; V9-N36 PolarHBondContact O-ND2 2.96Å; V32-N36 WeakPolarHBondContact O-CB 3.27Å; V32-N36 VanDerWaalsContact O-CG 3.24Å; V32-N36 PolarHBondContact O-N 2.89Å; V32-N36 PolarHBondContact O-OD1 2.68Å; N36-N39 PolarHBondContact O-N 2.97Å; N36-L40 PolarHBondContact O-N 3.25Å
37	Y	80.1	Confident	75.4	Confident	28 Å²	28	72.7 Å²	72.7	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-47.4	175.5	-179.7	-107.4	0	0	0	112.1	F6 M33 E35 N39 L40 V41 A46 S48 K49 P50 I53	F6-Y37 AromaticContact CD2-CD2 3.99Å; F6-Y37 HydrophobicContact CD2-CD2 3.99Å; F6-Y37 HydrophobicContact CE2-CD2 4.42Å; M33-Y37 WeakPolarHBondContact O-CB 3.44Å; M33-Y37 PolarHBondContact O-N 3.13Å; E35-Y37 VanDerWaalsContact C-N 3.31Å; E35-Y37 PolarHBondContact O-N 3.02Å; Y37-N39 VanDerWaalsContact C-N 3.28Å; Y37-N39 PolarHBondContact O-N 3.01Å; Y37-L40 PolarHBondContact O-N 3.21Å; Y37-L40 VanDerWaalsContact O-N 3.13Å; Y37-V41 HydrophobicContact CD1-CG2 4.19Å; Y37-V41 HydrophobicContact CD2-CG2 4.43Å; Y37-V41 HydrophobicContact CE1-CG2 3.66Å; Y37-V41 HydrophobicContact CE2-CG2 3.92Å; Y37-V41 VanDerWaalsContact CZ-CG2 3.49Å; Y37-V41 WeakPolarHBondContact O-CG2 3.36Å; Y37-V41 PolarHBondContact O-N 2.91Å; Y37-A46 HydrophobicContact CD2-CB 4.35Å; Y37-A46 HydrophobicContact CE2-CB 3.83Å; Y37-S48 PolarHBondContact OH-O 2.89Å; Y37-K49 HydrophobicContact CE1-CD 4.48Å; Y37-K49 HydrophobicContact CE1-CG 4.09Å; Y37-K49 WeakPolarHBondContact OH-CA 3.42Å; Y37-P50 HydrophobicContact CD2-CG 4.37Å; Y37-P50 VanDerWaalsContact CE2-CD 3.43Å; Y37-P50 HydrophobicContact CE2-CG 4.35Å; Y37-I53 HydrophobicContact CD1-CG1 4.45Å; Y37-I53 HydrophobicContact CD1-CG2 3.76Å; Y37-I53 HydrophobicContact CD2-CG1 4.13Å; Y37-I53 HydrophobicContact CE1-CG2 4.21Å; Y37-I53 HydrophobicContact CG-CD1 4.17Å; Y37-I53 HydrophobicContact CG-CG1 3.89Å; Y37-I53 HydrophobicContact CG-CG2 4.07Å
38	R	75.8	Confident	75.1	Confident	164 Å²	164	74 Å²	74	62%	0.619	40%	0.399	S	S	*	.	H	α-helix	trans	-57.5	-40.5	176.2	-73.9	168	-177.1	-179.3	2.2	112.1	L34 E35 V41 F42	L34-R38 WeakPolarHBondContact O-CB 3.41Å; L34-R38 VanDerWaalsContact O-CG 3.24Å; L34-R38 WeakPolarHBondContact O-CG 3.48Å; L34-R38 PolarHBondContact O-N 3.12Å; E35-R38 PolarHBondContact O-N 2.85Å; R38-V41 PolarHBondContact O-N 3.34Å; R38-F42 WeakPolarHBondContact O-CB 3.48Å; R38-F42 PolarHBondContact O-N 3.49Å
39	N	76.3	Confident	75.1	Confident	79 Å²	79	72.9 Å²	72.9	42%	0.422	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-39.4	176.5	-71.2	-31.2	0	0	0	112.2	E35 N36 Y37 F42 L43	E35-N39 WeakPolarHBondContact O-CB 3.4Å; E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 2.88Å; E35-N39 PolarHBondContact O-ND2 2.91Å; N36-N39 PolarHBondContact O-N 2.97Å; Y37-N39 VanDerWaalsContact C-N 3.28Å; Y37-N39 PolarHBondContact O-N 3.01Å; N39-F42 PolarHBondContact O-N 3.15Å; N39-L43 WeakPolarHBondContact O-CB 3.48Å; N39-L43 VanDerWaalsContact O-CG 3.28Å; N39-L43 WeakPolarHBondContact O-CG 3.35Å; N39-L43 PolarHBondContact O-N 3.07Å
40	L	73.5	Confident	75	Confident	12 Å²	12	73.4 Å²	73.4	6%	0.063	40%	0.395	C	S	.	.	H	α-helix	trans	-71.8	-29.2	174.6	-71.1	-178.4	0	0	0	113.7	L4 F6 V9 N36 Y37 I45 A46	L4-L40 HydrophobicContact CD2-CD1 4.2Å; L4-L40 HydrophobicContact CD2-CD2 3.6Å; F6-L40 HydrophobicContact CB-CD1 4.25Å; F6-L40 HydrophobicContact CD2-CD1 4.16Å; V9-L40 HydrophobicContact CG2-CD1 3.55Å; V9-L40 HydrophobicContact CG2-CG 4.42Å; N36-L40 PolarHBondContact O-N 3.25Å; Y37-L40 PolarHBondContact O-N 3.21Å; Y37-L40 VanDerWaalsContact O-N 3.13Å; L40-I45 HydrophobicContact CD2-CB 4.24Å; L40-I45 HydrophobicContact CD2-CD1 4.01Å; L40-I45 HydrophobicContact CD2-CG2 4.19Å; L40-I45 WeakPolarHBondContact O-CB 3.32Å; L40-I45 PolarHBondContact O-N 3.38Å; L40-A46 HydrophobicContact CB-CB 3.96Å; L40-A46 PolarHBondContact O-N 2.9Å; L40-A46 VanDerWaalsContact O-N 3.08Å
41	V	74.4	Confident	74.8	Confident	68 Å²	68	78.1 Å²	78.1	41%	0.412	42%	0.423	S	S	.	.	H	α-helix	trans	-68.9	-45.4	169.2	173.3	0	0	0	0	110.4	Y37 R38 L43 G44 A46	Y37-V41 HydrophobicContact CD1-CG2 4.19Å; Y37-V41 HydrophobicContact CD2-CG2 4.43Å; Y37-V41 HydrophobicContact CE1-CG2 3.66Å; Y37-V41 HydrophobicContact CE2-CG2 3.92Å; Y37-V41 VanDerWaalsContact CZ-CG2 3.49Å; Y37-V41 WeakPolarHBondContact O-CG2 3.36Å; Y37-V41 PolarHBondContact O-N 2.91Å; R38-V41 PolarHBondContact O-N 3.34Å; V41-L43 VanDerWaalsContact C-N 3.27Å; V41-L43 PolarHBondContact O-N 3.44Å; V41-G44 PolarHBondContact O-N 3.38Å; V41-A46 HydrophobicContact CG2-CB 3.83Å
42	F	71.7	Confident	75	Confident	177 Å²	177	74.8 Å²	74.8	78%	0.776	41%	0.405	S	S	*	.	H	α-helix	trans	-60.6	-34.5	177.9	179.4	-97.3	0	0	0	113.1	R38 N39 G44	R38-F42 WeakPolarHBondContact O-CB 3.48Å; R38-F42 PolarHBondContact O-N 3.49Å; N39-F42 PolarHBondContact O-N 3.15Å; F42-G44 PolarHBondContact O-N 3.5Å
43	L	74	Confident	75.1	Confident	116 Å²	116	72.1 Å²	72.1	61%	0.607	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-0.1	174.4	-67.4	170.3	0	0	0	113.9	N39 V41 I45	N39-L43 WeakPolarHBondContact O-CB 3.48Å; N39-L43 VanDerWaalsContact O-CG 3.28Å; N39-L43 WeakPolarHBondContact O-CG 3.35Å; N39-L43 PolarHBondContact O-N 3.07Å; V41-L43 VanDerWaalsContact C-N 3.27Å; V41-L43 PolarHBondContact O-N 3.44Å; L43-I45 VanDerWaalsContact C-N 3.27Å; L43-I45 HydrophobicContact CB-CD1 3.7Å; L43-I45 HydrophobicContact CB-CG1 3.89Å; L43-I45 HydrophobicContact CD1-CD1 4.13Å; L43-I45 PolarHBondContact O-N 3Å
44	G	71.5	Confident	75	Confident	65 Å²	65	74 Å²	74	67%	0.67	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	15.9	-178.1	0	0	0	0	0	114.7	V41 F42	V41-G44 PolarHBondContact O-N 3.38Å; F42-G44 PolarHBondContact O-N 3.5Å
45	I	70.5	Confident	74.7	Confident	66 Å²	66	74.7 Å²	74.7	34%	0.338	41%	0.407	S	S	.	.			trans	-93	-36.5	-171.7	-61.4	174.4	0	0	0	111.6	L4 L40 L43 V47	L4-I45 WeakPolarHBondContact O-CG2 3.46Å; L40-I45 HydrophobicContact CD2-CB 4.24Å; L40-I45 HydrophobicContact CD2-CD1 4.01Å; L40-I45 HydrophobicContact CD2-CG2 4.19Å; L40-I45 WeakPolarHBondContact O-CB 3.32Å; L40-I45 PolarHBondContact O-N 3.38Å; L43-I45 VanDerWaalsContact C-N 3.27Å; L43-I45 HydrophobicContact CB-CD1 3.7Å; L43-I45 HydrophobicContact CB-CG1 3.89Å; L43-I45 HydrophobicContact CD1-CD1 4.13Å; L43-I45 PolarHBondContact O-N 3Å; I45-V47 PolarHBondContact O-N 2.93Å
46	A	66.4	Low	74.7	Confident	23 Å²	23	69.4 Å²	69.4	19%	0.19	38%	0.382	C	S	.	.			trans	-89	99.1	-177.4	0	0	0	0	0	112.4	Y37 L40 V41	Y37-A46 HydrophobicContact CD2-CB 4.35Å; Y37-A46 HydrophobicContact CE2-CB 3.83Å; L40-A46 HydrophobicContact CB-CB 3.96Å; L40-A46 PolarHBondContact O-N 2.9Å; L40-A46 VanDerWaalsContact O-N 3.08Å; V41-A46 HydrophobicContact CG2-CB 3.83Å
47	V	60.1	Low	74.8	Confident	144 Å²	144	71.2 Å²	71.2	87%	0.873	39%	0.389	S	S	*	.			trans	-79.4	-24.9	-177.6	-173.3	0	0	0	0	113.5	I45	I45-V47 PolarHBondContact O-N 2.93Å
48	S	70.2	Confident	74.6	Confident	95 Å²	95	75 Å²	75	66%	0.664	41%	0.408	S	S	*	.	S	Bend	trans	-134.7	161.6	178.4	62.3	0	0	0	0	111.6	Y37	Y37-S48 PolarHBondContact OH-O 2.89Å
49	K	77.4	Confident	74	Confident	89 Å²	89	74.2 Å²	74.2	39%	0.387	41%	0.411	S	S	.	.			trans	-93.3	118.1	-179.7	-164.9	168	-165	168.1	0	110.5	Y37 I53 E57	Y37-K49 HydrophobicContact CE1-CD 4.48Å; Y37-K49 HydrophobicContact CE1-CG 4.09Å; Y37-K49 WeakPolarHBondContact OH-CA 3.42Å; K49-I53 HydrophobicContact CD-CG2 4.48Å; K49-I53 VanDerWaalsContact CE-CG2 3.49Å; K49-I53 HydrophobicContact CG-CB 4.44Å; K49-I53 HydrophobicContact CG-CG2 4.13Å; K49-E57 WeakPolarHBondContact CE-OE1 3.38Å; K49-E57 WeakPolarHBondContact CE-OE2 3.24Å; K49-E57 IonicContact NZ-OE1 2.59Å; K49-E57 PolarHBondContact NZ-OE1 3.34Å; K49-E57 IonicContact NZ-OE2 2.61Å; K49-E57 PolarHBondContact NZ-OE2 3.41Å
50	P	80.1	Confident	73.5	Confident	32 Å²	32	75.5 Å²	75.5	21%	0.208	41%	0.413	C	S	.	.			trans	-66.6	143.8	178.2	-19	30.7	0	0	0	112	F6 Y37 L52 I53 T54	F6-P50 HydrophobicContact CB-CG 4.08Å; F6-P50 HydrophobicContact CD1-CB 4.09Å; F6-P50 HydrophobicContact CD1-CG 3.53Å; F6-P50 HydrophobicContact CE1-CB 4.44Å; F6-P50 HydrophobicContact CE1-CG 4.17Å; F6-P50 HydrophobicContact CG-CG 3.8Å; Y37-P50 HydrophobicContact CD2-CG 4.37Å; Y37-P50 VanDerWaalsContact CE2-CD 3.43Å; Y37-P50 HydrophobicContact CE2-CG 4.35Å; P50-L52 PolarHBondContact O-N 3.42Å; P50-I53 HydrophobicContact CB-CG1 4.29Å; P50-I53 HydrophobicContact CG-CG1 4.14Å; P50-I53 WeakPolarHBondContact O-CB 3.47Å; P50-I53 PolarHBondContact O-N 3.3Å; P50-T54 PolarHBondContact O-N 2.89Å; P50-T54 PolarHBondContact O-OG1 3.02Å
51	D	75	Confident	72.9	Confident	135 Å²	135	79.5 Å²	79.5	72%	0.722	43%	0.431	S	S	*	.	H	α-helix	trans	-55.8	-37.3	177.4	-62	-50.1	0	0	0	112.4	I53 T54 C55	D51-I53 VanDerWaalsContact C-N 3.32Å; D51-I53 PolarHBondContact O-N 2.88Å; D51-T54 WeakPolarHBondContact O-CB 3.37Å; D51-T54 PolarHBondContact O-N 3.15Å; D51-T54 VanDerWaalsContact O-N 3.13Å; D51-C55 PolarHBondContact O-N 2.97Å; D51-C55 PolarHBondContact O-SG 3.09Å
52	L	78.2	Confident	72.1	Confident	33 Å²	33	78 Å²	78	17%	0.173	42%	0.423	C	S	.	.	H	α-helix	trans	-54.9	-45.5	173.8	178.2	58.6	0	0	0	111.9	F6 P50 C55 L56 P62	F6-L52 HydrophobicContact CE1-CD2 4.45Å; P50-L52 PolarHBondContact O-N 3.42Å; L52-C55 PolarHBondContact O-N 3.49Å; L52-L56 HydrophobicContact CD1-CD1 3.91Å; L52-L56 HydrophobicContact CD1-CG 4.16Å; L52-L56 HydrophobicContact CG-CD1 3.91Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 WeakPolarHBondContact O-CD1 3.45Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.83Å; L52-P62 HydrophobicContact CD1-CB 3.6Å
53	I	81.5	Confident	71.6	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-65.3	-42	177.4	-65.8	-63	0	0	0	110.6	F6 M33 L34 Y37 K49 P50 D51 C55 L56 E57	F6-I53 HydrophobicContact CE1-CD1 4.27Å; F6-I53 HydrophobicContact CE1-CG1 4.16Å; F6-I53 HydrophobicContact CE2-CD1 3.93Å; F6-I53 HydrophobicContact CE2-CG1 4.25Å; F6-I53 HydrophobicContact CZ-CD1 3.56Å; F6-I53 HydrophobicContact CZ-CG1 3.89Å; M33-I53 HydrophobicContact CB-CD1 4.3Å; M33-I53 WeakPolarHBondContact O-CD1 3.27Å; L34-I53 HydrophobicContact CD2-CD1 4.11Å; L34-I53 HydrophobicContact CD2-CG2 3.86Å; Y37-I53 HydrophobicContact CD1-CG1 4.45Å; Y37-I53 HydrophobicContact CD1-CG2 3.76Å; Y37-I53 HydrophobicContact CD2-CG1 4.13Å; Y37-I53 HydrophobicContact CE1-CG2 4.21Å; Y37-I53 HydrophobicContact CG-CD1 4.17Å; Y37-I53 HydrophobicContact CG-CG1 3.89Å; Y37-I53 HydrophobicContact CG-CG2 4.07Å; K49-I53 HydrophobicContact CD-CG2 4.48Å; K49-I53 VanDerWaalsContact CE-CG2 3.49Å; K49-I53 HydrophobicContact CG-CB 4.44Å; K49-I53 HydrophobicContact CG-CG2 4.13Å; P50-I53 HydrophobicContact CB-CG1 4.29Å; P50-I53 HydrophobicContact CG-CG1 4.14Å; P50-I53 WeakPolarHBondContact O-CB 3.47Å; P50-I53 PolarHBondContact O-N 3.3Å; D51-I53 VanDerWaalsContact C-N 3.32Å; D51-I53 PolarHBondContact O-N 2.88Å; I53-C55 VanDerWaalsContact C-N 3.35Å; I53-C55 PolarHBondContact O-N 3.35Å; I53-L56 PolarHBondContact O-N 3.48Å; I53-E57 WeakPolarHBondContact O-CG 3.45Å; I53-E57 PolarHBondContact O-N 3.21Å
54	T	80.6	Confident	70	Confident	43 Å²	43	72 Å²	72	26%	0.264	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.8	-55.3	0	0	0	0	112.2	P50 D51 Q58	P50-T54 PolarHBondContact O-N 2.89Å; P50-T54 PolarHBondContact O-OG1 3.02Å; D51-T54 WeakPolarHBondContact O-CB 3.37Å; D51-T54 PolarHBondContact O-N 3.15Å; D51-T54 VanDerWaalsContact O-N 3.13Å; T54-Q58 VanDerWaalsContact O-CG 3.32Å; T54-Q58 WeakPolarHBondContact O-CG 3.37Å; T54-Q58 PolarHBondContact O-N 2.9Å
55	C	74.4	Confident	68.3	Low	37 Å²	37	80.5 Å²	80.5	25%	0.25	41%	0.408	C	S	.	.	H	α-helix	trans	-66.1	-43.6	173.5	-71.3	0	0	0	0	112.4	D51 L52 I53 Q58 K60	D51-C55 PolarHBondContact O-N 2.97Å; D51-C55 PolarHBondContact O-SG 3.09Å; L52-C55 PolarHBondContact O-N 3.49Å; I53-C55 VanDerWaalsContact C-N 3.35Å; I53-C55 PolarHBondContact O-N 3.35Å; C55-Q58 PolarHBondContact O-N 3.19Å; C55-K60 PolarHBondContact O-N 3.34Å; C55-K60 VanDerWaalsContact O-N 3.07Å
56	L	78.3	Confident	66.6	Low	3 Å²	3	86.4 Å²	86.4	2%	0.016	43%	0.432	C	S	.	.	H	α-helix	trans	-68.2	-32.3	-178.9	-66.2	168.4	0	0	0	112.7	Y29 R30 M33 L34 L52 I53 P62	Y29-L56 HydrophobicContact CD1-CD2 4.13Å; Y29-L56 HydrophobicContact CE1-CD1 3.9Å; Y29-L56 HydrophobicContact CE1-CD2 3.9Å; R30-L56 HydrophobicContact CG-CB 4.16Å; R30-L56 HydrophobicContact CG-CD2 3.52Å; R30-L56 HydrophobicContact CG-CG 4.35Å; M33-L56 HydrophobicContact CB-CD1 3.81Å; M33-L56 HydrophobicContact CG-CD1 4.37Å; L34-L56 HydrophobicContact CD2-CB 4.19Å; L52-L56 HydrophobicContact CD1-CD1 3.91Å; L52-L56 HydrophobicContact CD1-CG 4.16Å; L52-L56 HydrophobicContact CG-CD1 3.91Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 WeakPolarHBondContact O-CD1 3.45Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.83Å; I53-L56 PolarHBondContact O-N 3.48Å; L56-P62 HydrophobicContact CD2-CB 4.47Å; L56-P62 HydrophobicContact CD2-CG 4.27Å
57	E	81.2	Confident	65.4	Low	86 Å²	86	96.9 Å²	96.9	40%	0.402	47%	0.466	S	S	.	.	H	α-helix	trans	-72.2	-35.2	172	-74.7	-177.3	177.1	0	0	113.5	L34 K49 I53 E59	L34-E57 HydrophobicContact CD1-CG 4.38Å; L34-E57 HydrophobicContact CD2-CG 3.6Å; K49-E57 WeakPolarHBondContact CE-OE1 3.38Å; K49-E57 WeakPolarHBondContact CE-OE2 3.24Å; K49-E57 IonicContact NZ-OE1 2.59Å; K49-E57 PolarHBondContact NZ-OE1 3.34Å; K49-E57 IonicContact NZ-OE2 2.61Å; K49-E57 PolarHBondContact NZ-OE2 3.41Å; I53-E57 WeakPolarHBondContact O-CG 3.45Å; I53-E57 PolarHBondContact O-N 3.21Å; E57-E59 PolarHBondContact O-N 3.23Å
58	Q	75.9	Confident	63.9	Low	108 Å²	108	98.5 Å²	98.5	51%	0.505	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	12.8	178.8	-68	-179	17.7	0	0	113.3	T54 C55 K60	T54-Q58 VanDerWaalsContact O-CG 3.32Å; T54-Q58 WeakPolarHBondContact O-CG 3.37Å; T54-Q58 PolarHBondContact O-N 2.9Å; C55-Q58 PolarHBondContact O-N 3.19Å; Q58-K60 HydrophobicContact CB-CD 4Å; Q58-K60 HydrophobicContact CB-CG 4.3Å; Q58-K60 PolarHBondContact O-N 3.07Å
59	E	63.8	Low	61.9	Low	148 Å²	148	104.5 Å²	104.5	69%	0.692	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	20.4	-171.8	-60.3	-157.6	152.3	0	0	115.7	R30 E57	R30-E59 PolarHBondContact NH1-O 3.25Å; R30-E59 PolarHBondContact NH2-O 3.27Å; E57-E59 PolarHBondContact O-N 3.23Å
60	K	63.8	Low	59.5	Low	105 Å²	105	108 Å²	108	46%	0.457	49%	0.492	S	S	.	.			trans	-81.1	154.6	177.9	-72.6	165.8	-172.4	170.6	0	111.6	R30 C55 Q58	R30-K60 PolarHBondContact NH2-O 3.46Å; C55-K60 PolarHBondContact O-N 3.34Å; C55-K60 VanDerWaalsContact O-N 3.07Å; Q58-K60 HydrophobicContact CB-CD 4Å; Q58-K60 HydrophobicContact CB-CG 4.3Å; Q58-K60 PolarHBondContact O-N 3.07Å
61	E	61.1	Low	56.8	Low	97 Å²	97	113 Å²	113	45%	0.453	52%	0.522	S	S	.	.			trans	-72.2	122.1	175.4	-71.7	-170.5	140.1	0	0	109.9	W63 T64	E61-W63 HydrophobicContact CB-CD2 4.1Å; E61-W63 HydrophobicContact CB-CE3 4.12Å; E61-W63 HydrophobicContact CB-CH2 3.57Å; E61-W63 HydrophobicContact CB-CZ2 3.59Å; E61-W63 HydrophobicContact CB-CZ3 3.84Å; E61-W63 VanDerWaalsContact CD-CH2 3.43Å; E61-W63 HydrophobicContact CG-CH2 3.6Å; E61-W63 HydrophobicContact CG-CZ2 3.73Å; E61-W63 HydrophobicContact CG-CZ3 4.27Å; E61-W63 PolarHBondContact O-N 3.12Å; E61-W63 WeakPolarHBondContact OE1-CH2 3.36Å; E61-W63 VanDerWaalsContact OE1-CZ2 3.31Å; E61-W63 WeakPolarHBondContact OE1-CZ2 3.2Å; E61-W63 VanDerWaalsContact OE2-CZ2 3.23Å; E61-W63 WeakPolarHBondContact OE2-CZ2 3.29Å; E61-T64 HydrophobicContact CB-CG2 3.95Å; E61-T64 PolarHBondContact O-N 2.85Å; E61-T64 PolarHBondContact O-OG1 3.22Å
62	P	57.9	Low	54.8	Low	36 Å²	36	110.5 Å²	110.5	23%	0.234	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.2	-166.5	19.3	-32.1	0	0	0	116.4	W18 L52 L56	W18-P62 HydrophobicContact CE3-CG 4.39Å; W18-P62 HydrophobicContact CH2-CG 4.19Å; W18-P62 HydrophobicContact CZ2-CG 4.39Å; W18-P62 HydrophobicContact CZ3-CG 4.2Å; L52-P62 HydrophobicContact CD1-CB 3.6Å; L56-P62 HydrophobicContact CD2-CB 4.47Å; L56-P62 HydrophobicContact CD2-CG 4.27Å
63	W	61.8	Low	52.2	Low	82 Å²	82	118.5 Å²	118.5	31%	0.311	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.5	-2.4	178.8	58	92	0	0	0	115.1	L15 W18 E61 R65	L15-W63 HydrophobicContact CD1-CD2 3.84Å; L15-W63 HydrophobicContact CD1-CG 3.81Å; L15-W63 HydrophobicContact CD1-CZ2 4.28Å; W18-W63 HydrophobicContact CB-CZ3 4.16Å; W18-W63 AromaticContact CD1-CH2 3.17Å; W18-W63 AromaticContact CD1-CZ3 3.13Å; W18-W63 HydrophobicContact CD2-CH2 4.48Å; W18-W63 AromaticContact CD2-CZ3 3.72Å; W18-W63 HydrophobicContact CD2-CZ3 3.72Å; W18-W63 AromaticContact CE2-CZ3 3.63Å; W18-W63 HydrophobicContact CG-CE3 4.17Å; W18-W63 AromaticContact CG-CH2 3.91Å; W18-W63 HydrophobicContact CG-CH2 3.91Å; W18-W63 AromaticContact CG-CZ3 3.4Å; W18-W63 HydrophobicContact CG-CZ3 3.4Å; W18-W63 HydrophobicContact CZ2-CZ3 4.5Å; W18-W63 AromaticContact NE1-CH2 3.32Å; W18-W63 VanDerWaalsContact NE1-CH2 3.32Å; W18-W63 AromaticContact NE1-CZ3 3.27Å; W18-W63 VanDerWaalsContact NE1-CZ3 3.27Å; E61-W63 HydrophobicContact CB-CD2 4.1Å; E61-W63 HydrophobicContact CB-CE3 4.12Å; E61-W63 HydrophobicContact CB-CH2 3.57Å; E61-W63 HydrophobicContact CB-CZ2 3.59Å; E61-W63 HydrophobicContact CB-CZ3 3.84Å; E61-W63 VanDerWaalsContact CD-CH2 3.43Å; E61-W63 HydrophobicContact CG-CH2 3.6Å; E61-W63 HydrophobicContact CG-CZ2 3.73Å; E61-W63 HydrophobicContact CG-CZ3 4.27Å; E61-W63 PolarHBondContact O-N 3.12Å; E61-W63 WeakPolarHBondContact OE1-CH2 3.36Å; E61-W63 VanDerWaalsContact OE1-CZ2 3.31Å; E61-W63 WeakPolarHBondContact OE1-CZ2 3.2Å; E61-W63 VanDerWaalsContact OE2-CZ2 3.23Å; E61-W63 WeakPolarHBondContact OE2-CZ2 3.29Å; W63-R65 PolarHBondContact O-N 2.98Å
64	T	40.3	Very low	50.5	Low	85 Å²	85	124 Å²	124	52%	0.521	59%	0.588	S	S	.	*			trans	-79.2	41	-170	64.4	0	0	0	0	115.7	E61	E61-T64 HydrophobicContact CB-CG2 3.95Å; E61-T64 PolarHBondContact O-N 2.85Å; E61-T64 PolarHBondContact O-OG1 3.22Å
65	R	36.8	Very low	47.8	Very low	243 Å²	243	128.9 Å²	128.9	92%	0.917	62%	0.618	S	S	*	*	S	Bend	trans	-157.7	152.5	151.5	-130.2	174.1	-177.3	168.7	1.1	113.8	W63	W63-R65 PolarHBondContact O-N 2.98Å
66	K	33.5	Very low	45.3	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.826	64%	0.64	S	S	*	*			trans	-69.8	141	-174.9	-70.3	-177.6	177.2	179.5	0	113.2	H68	K66-H68 PolarHBondContact O-N 3.32Å
67	R	40.8	Very low	42.7	Very low	243 Å²	243	138.1 Å²	138.1	92%	0.917	68%	0.677	S	S	*	*			trans	-56.5	116.7	167.8	-172.6	-167.3	-60.7	169.3	0.4	111.2
68	H	28.8	Very low	40	Very low	178 Å²	178	138.1 Å²	138.1	82%	0.824	69%	0.687	S	S	*	*			trans	-127.7	171.9	168	-98.9	-106.1	0	0	0	111.2	K66	K66-H68 PolarHBondContact O-N 3.32Å
69	R	28.6	Very low	37.6	Very low	221 Å²	221	141 Å²	141	83%	0.834	70%	0.7	S	S	*	*			trans	-132.2	153.6	-151	-160.5	-164	-165.3	-172.2	6.8	111.9
70	M	26.7	Very low	35.7	Very low	162 Å²	162	143.5 Å²	143.5	80%	0.798	71%	0.709	S	S	*	*			trans	70.8	162.3	171.5	-37.5	179.3	75.2	0	0	112.8
71	V	23.9	Very low	33.8	Very low	139 Å²	139	142.3 Å²	142.3	84%	0.842	72%	0.719	S	S	*	*			cis	-131.1	171.3	6	-175.2	0	0	0	0	108.8
72	A	32.4	Very low	32.2	Very low	81 Å²	81	145.4 Å²	145.4	67%	0.669	73%	0.733	S	S	*	*			trans	-106.2	147.4	175.5	0	0	0	0	0	113.4
73	K	24.2	Very low	30.7	Very low	201 Å²	201	149.1 Å²	149.1	87%	0.874	75%	0.751	S	S	*	*			trans	68	165	173.6	-61.3	-177.1	177.4	-178.7	0	115.9
74	P	46.1	Very low	28.8	Very low	115 Å²	115	154 Å²	154	75%	0.747	78%	0.775	S	S	*	*			cis	-130.6	168.4	-43.9	36.6	-22.7	0	0	0	112.1
75	V	23.5	Very low	28.1	Very low	147 Å²	147	155.2 Å²	155.2	89%	0.891	79%	0.786	S	S	*	*			trans	-156.3	169.4	149.7	118	0	0	0	0	109.5
76	T	22.3	Very low	28.2	Very low	116 Å²	116	148.7 Å²	148.7	71%	0.712	78%	0.776	S	S	*	*			trans	-144.8	161.3	-155.2	48.3	0	0	0	0	113.2
77	C	23	Very low	27.7	Very low	117 Å²	117	147.4 Å²	147.4	79%	0.791	77%	0.773	S	S	*	*			trans	70.9	157.8	168.3	-81.7	0	0	0	0	116.4
78	S	24.5	Very low	27	Very low	87 Å²	87	144 Å²	144	61%	0.608	77%	0.767	S	S	*	*			cis	-157.9	151.5	-3.4	27.2	0	0	0	0	112.5
79	H	25.6	Very low	26.9	Very low	168 Å²	168	142.9 Å²	142.9	78%	0.778	77%	0.767	S	S	*	*			trans	51.1	125.4	153.8	-43.8	-33.8	0	0	0	118.3
80	F	25.3	Very low	27.2	Very low	200 Å²	200	140.5 Å²	140.5	88%	0.877	77%	0.769	S	S	*	*				-133.8	159.9	66.4	-117	-101.2	0	0	0	113.9
81	A	23.3	Very low	27.3	Very low	81 Å²	81	141.3 Å²	141.3	67%	0.669	77%	0.768	S	S	*	*			trans	-113.9	-167.9	176.5	0	0	0	0	0	110.5
82	Q	27.1	Very low	27.5	Very low	162 Å²	162	141.7 Å²	141.7	76%	0.757	77%	0.766	S	S	*	*			trans	85.1	129.6	179.7	-47.9	-164.5	-75.5	0	0	115.8
83	D	25.6	Very low	27.3	Very low	113 Å²	113	143.1 Å²	143.1	60%	0.604	77%	0.771	S	S	*	*			cis	-162.4	169.1	-15.6	-117	-33.8	0	0	0	112.9
84	F	23	Very low	27.4	Very low	185 Å²	185	143.8 Å²	143.8	81%	0.811	77%	0.774	S	S	*	*			trans	61.6	113.9	164.5	-62.3	-62	0	0	0	122.4
85	S	25.8	Very low	26.6	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	78%	0.778	S	S	*	*				-120	168.4	129.3	-102.9	0	0	0	0	107.1
86	P	37.3	Very low	26.8	Very low	106 Å²	106	148.8 Å²	148.8	69%	0.688	78%	0.775	S	S	*	*			cis	-143.1	-172.6	31.5	43.4	-23.4	0	0	0	117.1
87	E	24.9	Very low	26.9	Very low	163 Å²	163	150.5 Å²	150.5	76%	0.762	79%	0.785	S	S	*	*			trans	50.6	113.5	150	-75.7	171.1	-138	0	0	121.6
88	Q	26.3	Very low	27	Very low	171 Å²	171	150.8 Å²	150.8	80%	0.799	78%	0.783	S	S	*	*				-159.6	143.1	110.8	-138.1	111.2	87.5	0	0	115
89	N	25.7	Very low	27	Very low	156 Å²	156	153.6 Å²	153.6	83%	0.834	79%	0.791	S	S	*	*			trans	32.7	142.9	153.1	-86.9	-55.4	0	0	0	124.9
90	I	35.3	Very low	27	Very low	170 Å²	170	157.4 Å²	157.4	87%	0.872	80%	0.798	S	S	*	*			trans	-88.3	106.3	-179.8	-59	163.4	0	0	0	111.4
91	K	28.4	Very low	27	Very low	179 Å²	179	160 Å²	160	78%	0.778	80%	0.802	S	S	*	*			trans	-165.6	166	138.3	-125.7	178.1	178.3	175.9	0	113.1
92	D	27.6	Very low	27.2	Very low	147 Å²	147	164.7 Å²	164.7	79%	0.786	81%	0.81	S	S	*	*			trans	56	70.5	160.3	-56.7	-15.2	0	0	0	118.3
93	S	28.1	Very low	27.2	Very low	111 Å²	111	160.2 Å²	160.2	78%	0.776	81%	0.807	S	S	*	*			trans	-143.7	86.5	152.9	-163.7	0	0	0	0	112.3
94	F	27.7	Very low	27.5	Very low	215 Å²	215	163.6 Å²	163.6	94%	0.943	82%	0.816	S	S	*	*			trans	-145	47.9	171.9	-115.2	-66.4	0	0	0	112.7
95	Q	28.1	Very low	27.5	Very low	177 Å²	177	160.7 Å²	160.7	83%	0.827	82%	0.818	S	S	*	*			trans	-144.7	145.8	167.6	-96.8	-178.8	31.7	0	0	112
96	K	27.3	Very low	27.4	Very low	191 Å²	191	162 Å²	162	83%	0.83	81%	0.812	S	S	*	*			trans	70	90.2	174.2	-56.3	174.8	-176.4	171.3	0	117.8
97	V	24.5	Very low	27	Very low	151 Å²	151	165.8 Å²	165.8	92%	0.915	82%	0.82	S	S	*	*				-131.6	93.5	123.7	-177.5	0	0	0	0	108.8
98	T	24.8	Very low	27.1	Very low	124 Å²	124	165.9 Å²	165.9	76%	0.761	82%	0.82	S	S	*	*			trans	-143.2	143.5	168.1	-41.6	0	0	0	0	108
99	L	25.9	Very low	27	Very low	146 Å²	146	164.6 Å²	164.6	76%	0.764	82%	0.819	S	S	*	*			trans	70.9	103.1	-179.2	-56	169.7	0	0	0	116.8
100	R	25.2	Very low	27	Very low	247 Å²	247	165.7 Å²	165.7	93%	0.932	82%	0.824	S	S	*	*				-173.3	111.5	107.8	-101.2	-175.9	-171.6	-131.3	3.8	113.4
101	R	25.8	Very low	26.4	Very low	254 Å²	254	165.1 Å²	165.1	96%	0.958	82%	0.817	S	S	*	*				-158	143	123.3	-108.7	177.6	178.5	178.2	0	108
102	H	28	Very low	26.1	Very low	181 Å²	181	163.6 Å²	163.6	84%	0.838	82%	0.817	S	S	*	*			trans	-151.2	149.1	-165.5	-119.4	116.4	0	0	0	109.7
103	G	26.5	Very low	25.8	Very low	68 Å²	68	167.4 Å²	167.4	70%	0.701	82%	0.82	S	S	*	*			trans	79.8	155.1	164.7	0	0	0	0	0	115.9
104	K	31	Very low	25.5	Very low	183 Å²	183	171.6 Å²	171.6	80%	0.796	82%	0.824	S	S	*	*			cis	-149.6	153.6	-6	-73.3	-165.3	172.8	-150.9	0	110.4	E106	K104-E106 IonicContact NZ-OE2 3.34Å
105	C	23.3	Very low	25.2	Very low	124 Å²	124	167.7 Å²	167.7	84%	0.838	82%	0.822	S	S	*	*				-158	146.4	116.8	-153.6	0	0	0	0	109.5
106	E	24.6	Very low	24.9	Very low	139 Å²	139	161.9 Å²	161.9	65%	0.65	81%	0.81	S	S	*	*			trans	-136.1	150.4	-178	-65.1	165.8	109	0	0	107.8	K104	K104-E106 IonicContact NZ-OE2 3.34Å
107	H	27.6	Very low	24.7	Very low	184 Å²	184	162.9 Å²	162.9	85%	0.852	82%	0.815	S	S	*	*			trans	-153.9	162.2	149.8	-118.7	-76.1	0	0	0	110.6
108	E	26.7	Very low	24.7	Very low	166 Å²	166	160.7 Å²	160.7	78%	0.776	81%	0.806	S	S	*	*			trans	-107.1	-179.8	-143.4	-60.6	-179.6	100.4	0	0	116.5
109	N	24.8	Very low	24.6	Very low	144 Å²	144	160.5 Å²	160.5	77%	0.77	80%	0.804	S	S	*	*			trans	-50.7	151.4	-177	-56.8	-88.8	0	0	0	116.4
110	L	25.6	Very low	24.5	Very low	178 Å²	178	160.4 Å²	160.4	93%	0.932	81%	0.805	S	S	*	*			trans	-135.1	148.8	140.4	-107.6	168.1	0	0	0	110.1
111	Q	23	Very low	24.4	Very low	159 Å²	159	155.4 Å²	155.4	74%	0.743	79%	0.792	S	S	*	*			trans	-118	176.4	-170.1	-95.2	-97.9	9.1	0	0	111.2
112	L	21.9	Very low	24.1	Very low	146 Å²	146	147.5 Å²	147.5	76%	0.764	77%	0.774	S	S	*	*			trans	76.1	148.5	174	-48.1	166.5	0	0	0	114.6
113	R	20.8	Very low	23.8	Very low	227 Å²	227	146.2 Å²	146.2	86%	0.857	77%	0.767	S	S	*	*			cis	-153.2	177.1	-2.7	-135.7	176.9	-176.7	-158.5	3.2	112.1
114	K	22.6	Very low	23.8	Very low	199 Å²	199	148.4 Å²	148.4	87%	0.865	77%	0.766	S	S	*	*			trans	-60.4	164.1	168.5	-55.2	168.9	-176.9	175.5	0	110.8
115	C	20.7	Very low	23.4	Very low	133 Å²	133	146.4 Å²	146.4	90%	0.899	76%	0.76	S	S	*	*			cis	-154.7	-180	30.8	-148.2	0	0	0	0	108.2
116	G	22.8	Very low	23.5	Very low	56 Å²	56	149.2 Å²	149.2	58%	0.577	76%	0.757	S	S	*	*			cis	169	145.9	13.8	0	0	0	0	0	106.8
117	K	23.4	Very low	23.4	Very low	212 Å²	212	146.7 Å²	146.7	92%	0.922	77%	0.769	S	S	*	*				38.7	134.3	111.8	-64.8	-172.4	-179.6	-174.2	0	115.9
118	S	23.7	Very low	23.2	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	76%	0.763	S	S	*	*			cis	-169.8	142.8	15.2	48	0	0	0	0	111.7
119	V	22.5	Very low	23.1	Very low	119 Å²	119	143.8 Å²	143.8	72%	0.721	77%	0.767	S	S	*	*				88.9	126.4	107.8	168.1	0	0	0	0	117.6
120	D	23.2	Very low	23	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	77%	0.771	S	S	*	*			trans	56.6	160.1	154.5	-61.8	-7	0	0	0	121.5
121	E	22.9	Very low	23	Very low	141 Å²	141	139.8 Å²	139.8	66%	0.659	77%	0.765	S	S	*	*			cis	-153.9	173.5	-9.6	-133.7	-147.5	142.3	0	0	112.2	K123	E121-K123 IonicContact OE1-NZ 3.77Å; E121-K123 PolarHBondContact OE1-NZ 3.1Å
122	C	21.1	Very low	23	Very low	88 Å²	88	140 Å²	140	60%	0.595	77%	0.771	S	S	*	*			trans	66.4	165.1	150.8	-80.2	0	0	0	0	121.8
123	K	21.6	Very low	23.1	Very low	155 Å²	155	138.8 Å²	138.8	67%	0.674	77%	0.765	S	S	*	*			cis	-169.3	153	-47.2	-112.3	178.1	-154.8	113.4	0	110.8	E121	E121-K123 IonicContact OE1-NZ 3.77Å; E121-K123 PolarHBondContact OE1-NZ 3.1Å
124	V	25	Very low	23.2	Very low	114 Å²	114	135.9 Å²	135.9	69%	0.691	76%	0.761	S	S	*	*			trans	77.5	109.3	142.9	169.5	0	0	0	0	123
125	Q	24.1	Very low	23.1	Very low	141 Å²	141	132.4 Å²	132.4	66%	0.659	76%	0.761	S	S	*	*			trans	73.9	127.2	131.1	-70	-174.7	36.1	0	0	127.3
126	K	24.6	Very low	23.2	Very low	182 Å²	182	134 Å²	134	79%	0.791	76%	0.759	S	S	*	*				78	128	127.7	-75.8	175.8	-179.2	156.9	0	123.8
127	G	22.8	Very low	23.8	Very low	86 Å²	86	136.4 Å²	136.4	89%	0.887	77%	0.765	S	S	*	*			trans	91.3	146	140.5	0	0	0	0	0	117.1
128	G	23.5	Very low	23.7	Very low	71 Å²	71	130.5 Å²	130.5	73%	0.732	76%	0.755	S	S	*	*			cis	172.1	125.9	-12.7	0	0	0	0	0	115.3
129	Y	23.7	Very low	23.6	Very low	218 Å²	218	131.4 Å²	131.4	86%	0.855	76%	0.757	S	S	*	*			trans	60.3	138.9	156.9	-85.5	-70.9	0	0	0	124
130	N	24.1	Very low	23.6	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	76%	0.76	S	S	*	*			trans	75.3	144.5	147	-67	-22.6	0	0	0	121.6
131	G	24.2	Very low	23.6	Very low	80 Å²	80	132.8 Å²	132.8	83%	0.825	76%	0.764	S	S	*	*			trans	143.3	103.6	173.1	0	0	0	0	0	112
132	L	24.8	Very low	23.7	Very low	163 Å²	163	134.8 Å²	134.8	85%	0.853	77%	0.771	S	S	*	*			trans	-115.7	165.6	-179	-101.3	172.6	0	0	0	111.8
133	N	22.1	Very low	23.7	Very low	121 Å²	121	138.9 Å²	138.9	65%	0.647	79%	0.786	S	S	*	*			trans	86.7	109.6	168	-58.1	-25.6	0	0	0	115.5
134	Q	24.3	Very low	23.8	Very low	166 Å²	166	141.2 Å²	141.2	78%	0.776	80%	0.797	S	S	*	*				88.2	110.6	67.9	-82	-178	70.4	0	0	111.9
135	C	20.2	Very low	23.8	Very low	126 Å²	126	143.5 Å²	143.5	85%	0.851	80%	0.799	S	S	*	*				-169.2	155.5	108.1	-103.8	0	0	0	0	113.2
136	L	22	Very low	23.8	Very low	165 Å²	165	141.2 Å²	141.2	86%	0.864	80%	0.798	S	S	*	*			trans	-92	-173.7	164.6	-110.3	79.6	0	0	0	108.7
137	P	35.8	Very low	23.8	Very low	107 Å²	107	140.3 Å²	140.3	70%	0.695	80%	0.802	S	S	*	*			cis	-136.4	172.4	5.5	38.5	-19.9	0	0	0	117.2
138	A	21.5	Very low	23.9	Very low	88 Å²	88	141.7 Å²	141.7	73%	0.727	79%	0.785	S	S	*	*			trans	66	158.1	151.6	0	0	0	0	0	118.5
139	T	21.4	Very low	24	Very low	125 Å²	125	147.1 Å²	147.1	77%	0.767	79%	0.785	S	S	*	*			cis	-138.5	149.7	8.4	-44	0	0	0	0	112.4
140	Q	22.8	Very low	24.1	Very low	169 Å²	169	145.3 Å²	145.3	79%	0.79	79%	0.786	S	S	*	*			trans	-2.6	130.6	166.6	-57.7	175.2	8	0	0	120.5
141	S	22.9	Very low	24.2	Very low	124 Å²	124	145.3 Å²	145.3	87%	0.867	78%	0.778	S	S	*	*			trans	-128.6	136.9	136.2	59.8	0	0	0	0	109.2
142	K	25.4	Very low	24.2	Very low	182 Å²	182	148.4 Å²	148.4	79%	0.791	78%	0.775	S	S	*	*			trans	-86.7	129	-177	-66.6	175.2	-178.5	171.9	0	111.7
143	L	21.8	Very low	24.1	Very low	174 Å²	174	150.2 Å²	150.2	91%	0.911	78%	0.776	S	S	*	*			trans	-157.2	137.8	143.8	-104.3	165.9	0	0	0	107.5	H145	L143-H145 PolarHBondContact O-N 3.24Å
144	F	24	Very low	24.2	Very low	205 Å²	205	153.6 Å²	153.6	90%	0.899	79%	0.788	S	S	*	*			trans	-83.7	111.8	-167.6	-97.4	-94.2	0	0	0	113
145	H	24.5	Very low	24.1	Very low	162 Å²	162	154.4 Å²	154.4	75%	0.75	79%	0.788	S	S	*	*			trans	-67.1	168.9	147.2	-103.3	-104.3	0	0	0	109.7	L143	L143-H145 PolarHBondContact O-N 3.24Å
146	C	23.8	Very low	24.2	Very low	92 Å²	92	157.6 Å²	157.6	62%	0.622	79%	0.788	S	S	*	*			cis	-149.8	147.7	20.3	-151.9	0	0	0	0	113.2
147	D	24.4	Very low	24.4	Very low	164 Å²	164	154.3 Å²	154.3	88%	0.877	78%	0.779	S	S	*	*			trans	-120.7	84.3	162	-177.2	25.8	0	0	0	109.2
148	E	25.6	Very low	23.8	Very low	115 Å²	115	156.7 Å²	156.7	54%	0.537	79%	0.786	S	S	.	*			trans	-154.1	145.7	169.5	-95.6	-168.2	145.3	0	0	106.9
149	Y	24.6	Very low	23.9	Very low	185 Å²	185	160 Å²	160	73%	0.725	79%	0.791	S	S	*	*			cis	-138.1	126.5	45.5	-101.1	-101.8	0	0	0	113.6	I152	Y149-I152 HydrophobicContact CE1-CD1 4.4Å
150	M	26.9	Very low	24	Very low	179 Å²	179	161.2 Å²	161.2	88%	0.882	79%	0.792	S	S	*	*			trans	-130.7	54	164	-120.8	-62.3	-166.1	0	0	111.1
151	K	25.5	Very low	24.1	Very low	159 Å²	159	156.3 Å²	156.3	69%	0.691	79%	0.788	S	S	*	*			trans	-154.9	129.6	166.6	-86.4	118.5	178.7	-177.4	0	111.1
152	I	24	Very low	24.2	Very low	146 Å²	146	158.8 Å²	158.8	75%	0.749	79%	0.785	S	S	*	*			trans	148.5	92.1	147.2	-77.1	156.1	0	0	0	106.8	Y149	Y149-I152 HydrophobicContact CE1-CD1 4.4Å
153	F	22.7	Very low	24.1	Very low	200 Å²	200	158.4 Å²	158.4	88%	0.877	78%	0.783	S	S	*	*			trans	-166.8	59.7	153.4	-121.9	-68.9	0	0	0	113.5
154	H	23.5	Very low	24.2	Very low	192 Å²	192	157.7 Å²	157.7	89%	0.889	78%	0.779	S	S	*	*			trans	-154.6	80.7	164.3	-111	-55	0	0	0	115.8
155	K	22.6	Very low	24.2	Very low	183 Å²	183	158.4 Å²	158.4	80%	0.796	78%	0.776	S	S	*	*			trans	149.3	121.9	146.9	-87.7	175.1	178.3	177.5	0	107.8
156	F	22.6	Very low	24.5	Very low	193 Å²	193	159.3 Å²	159.3	85%	0.846	78%	0.78	S	S	*	*				-144.4	173.8	50	-106.1	-92.5	0	0	0	112.8
157	S	25.6	Very low	24.5	Very low	97 Å²	97	161.7 Å²	161.7	68%	0.678	79%	0.792	S	S	*	*			trans	-131.7	158.2	169	-57.8	0	0	0	0	110.3
158	N	24.4	Very low	24.5	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	78%	0.78	S	S	*	*			trans	75.9	113.4	177	-45.3	-36.1	0	0	0	115.9
159	L	23.5	Very low	24.5	Very low	157 Å²	157	161.1 Å²	161.1	82%	0.822	80%	0.797	S	S	*	*				-159.3	151.3	110.1	-105.6	165.6	0	0	0	111.2
160	N	24.1	Very low	24.6	Very low	151 Å²	151	161.3 Å²	161.3	81%	0.807	80%	0.802	S	S	*	*			trans	52.3	136.1	165.1	-64.9	-10.6	0	0	0	121.4
161	G	23	Very low	24.6	Very low	67 Å²	67	158.5 Å²	158.5	69%	0.691	80%	0.797	S	S	*	*			trans	-104.2	-157.6	153	0	0	0	0	0	111.3
162	H	26	Very low	24.4	Very low	175 Å²	175	161 Å²	161	81%	0.81	81%	0.808	S	S	*	*			trans	84.3	107.5	179.2	-72	-54.7	0	0	0	119.6
163	K	23.1	Very low	24.5	Very low	174 Å²	174	163.9 Å²	163.9	76%	0.757	82%	0.815	S	S	*	*				81	149.3	126.6	-74.7	-178.6	172.3	179.9	0	120.6
164	I	24.8	Very low	24.5	Very low	159 Å²	159	160.7 Å²	160.7	82%	0.815	82%	0.817	S	S	*	*			trans	73	143.4	156.6	-70.1	152.9	0	0	0	115.8
165	R	22.2	Very low	24.5	Very low	221 Å²	221	160.9 Å²	160.9	83%	0.834	82%	0.815	S	S	*	*			cis	-162.3	164.2	-28.7	-172.3	174.2	77.6	177.8	4	107.9
166	H	30.8	Very low	24.7	Very low	181 Å²	181	159.7 Å²	159.7	84%	0.838	81%	0.812	S	S	*	*			trans	-45.1	138.1	-177.9	-74.1	-85.6	0	0	0	118.7
167	T	25.6	Very low	24.8	Very low	142 Å²	142	160.4 Å²	160.4	87%	0.871	82%	0.815	S	S	*	*			trans	-145	169.9	147.5	52.5	0	0	0	0	107.9
168	G	23.9	Very low	24.7	Very low	62 Å²	62	159.6 Å²	159.6	64%	0.639	82%	0.822	S	S	*	*			cis	-168.9	4.3	-4.8	0	0	0	0	0	117.8
169	K	26.3	Very low	24.8	Very low	204 Å²	204	162.3 Å²	162.3	89%	0.887	83%	0.826	S	S	*	*			trans	78.9	163.9	-161.1	-50.8	157.1	-179.3	171.3	0	111
170	K	26.5	Very low	24.8	Very low	189 Å²	189	160.7 Å²	160.7	82%	0.822	83%	0.828	S	S	*	*			cis	-153.7	155.2	9.8	-141.6	168	-175	-173.8	0	108.3
171	P	25.2	Very low	24.7	Very low	121 Å²	121	162.5 Å²	162.5	79%	0.786	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-88.9	147.7	-176.7	34.3	-34.8	0	0	0	114
172	F	23.1	Very low	24.7	Very low	212 Å²	212	164.4 Å²	164.4	93%	0.93	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-87.8	133.6	165.5	-88.7	-92.8	0	0	0	111.2
173	K	24.2	Very low	24.7	Very low	205 Å²	205	162.2 Å²	162.2	89%	0.891	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.2	146.7	160.3	-69.9	-178	176.4	-178.2	0	108.7
174	C	22.8	Very low	24.8	Very low	134 Å²	134	162 Å²	162	91%	0.905	82%	0.822	S	S	*	*			trans	-126.9	158.2	155.4	-158.5	0	0	0	0	109.5
175	K	24.8	Very low	24.9	Very low	196 Å²	196	158.8 Å²	158.8	85%	0.852	81%	0.813	S	S	*	*			trans	-94.7	-176.4	-176.5	-102	-172.6	173.2	-170	0	112
176	E	26.6	Very low	25	Very low	157 Å²	157	155.2 Å²	155.2	73%	0.734	81%	0.811	S	S	*	*			trans	-67.2	152.8	-166.7	-74.7	158.2	113.5	0	0	117.4
177	F	24.3	Very low	24.7	Very low	209 Å²	209	154.1 Å²	154.1	92%	0.917	81%	0.811	S	S	*	*			trans	45.1	118.1	148.3	-81.5	-90.4	0	0	0	121.4
178	G	23.3	Very low	24.8	Very low	79 Å²	79	153.7 Å²	153.7	81%	0.814	81%	0.808	S	S	*	*			trans	-168.6	118.7	163.6	0	0	0	0	0	114
179	K	27.5	Very low	25	Very low	213 Å²	213	157.8 Å²	157.8	93%	0.926	81%	0.81	S	S	*	*			trans	-70.8	150	-175	-52.9	159.5	-178	169.7	0	113.8
180	S	22.1	Very low	25.1	Very low	124 Å²	124	160.2 Å²	160.2	87%	0.867	81%	0.814	S	S	*	*			trans	-164.8	177.1	142.9	54.9	0	0	0	0	111.8
181	F	21.7	Very low	25.2	Very low	188 Å²	188	159.3 Å²	159.3	83%	0.825	81%	0.81	S	S	*	*			trans	-148.3	-170.6	-155	-152.4	-102.5	0	0	0	113.7	M183	F181-M183 HydrophobicContact CE1-CG 4.33Å
182	C	24.2	Very low	25.5	Very low	107 Å²	107	160.9 Å²	160.9	72%	0.723	81%	0.81	S	S	*	*			trans	82.8	129.2	-179.7	-66.5	0	0	0	0	115.7
183	M	25	Very low	25.6	Very low	130 Å²	130	156 Å²	156	64%	0.64	80%	0.798	S	S	*	*			cis	76	128.1	44.1	-56.2	-98.4	-89.8	0	0	110.6	F181	F181-M183 HydrophobicContact CE1-CG 4.33Å
184	F	25.5	Very low	25.7	Very low	168 Å²	168	150.6 Å²	150.6	74%	0.737	79%	0.785	S	S	*	*			cis	-142	-180	22	-102.2	-54.9	0	0	0	110.6
185	S	27.2	Very low	25.8	Very low	92 Å²	92	149.4 Å²	149.4	64%	0.643	77%	0.774	S	S	*	*			cis	-161.6	155.7	-3.8	38.5	0	0	0	0	112.6
186	N	25.2	Very low	26.3	Very low	146 Å²	146	151.7 Å²	151.7	78%	0.781	78%	0.777	S	S	*	*			trans	39.4	107.5	143.2	-57.3	-14.7	0	0	0	122.5
187	L	24	Very low	26.9	Very low	159 Å²	159	147.2 Å²	147.2	83%	0.832	76%	0.76	S	S	*	*	S	Bend		-146.9	111.4	123.1	-117.9	167.5	0	0	0	110.4
188	T	26.6	Very low	27.8	Very low	133 Å²	133	142.4 Å²	142.4	82%	0.816	74%	0.744	S	S	*	*			trans	21.5	105.1	169.9	47.6	0	0	0	0	119.4
189	Q	28.3	Very low	28.9	Very low	148 Å²	148	144 Å²	144	69%	0.692	73%	0.729	S	S	*	*			trans	-86	120.9	174.9	-63.9	172.6	-6.8	0	0	112.6	K191	Q189-K191 VanDerWaalsContact C-N 3.33Å; Q189-K191 HydrophobicContact CB-CG 4.33Å; Q189-K191 PolarHBondContact O-N 3.04Å
190	R	28.7	Very low	30.2	Very low	254 Å²	254	137.5 Å²	137.5	96%	0.958	70%	0.699	S	S	*	*			trans	-80.5	84.1	152.3	-109.1	-175.6	173.9	172.4	-1.3	108.7	I192	R190-I192 PolarHBondContact O-N 2.91Å
191	K	29.6	Very low	31.8	Very low	170 Å²	170	138.9 Å²	138.9	74%	0.739	69%	0.69	S	S	*	*			trans	-70.4	104.8	172.3	-96.1	169.2	170.8	148.3	0	109.7	Q189	Q189-K191 VanDerWaalsContact C-N 3.33Å; Q189-K191 HydrophobicContact CB-CG 4.33Å; Q189-K191 PolarHBondContact O-N 3.04Å
192	I	31.6	Very low	33.7	Very low	155 Å²	155	130 Å²	130	80%	0.795	65%	0.651	S	S	*	*			trans	-65	138	155.9	-66.1	171.8	0	0	0	107.1	R190 C194	R190-I192 PolarHBondContact O-N 2.91Å; I192-C194 PolarHBondContact O-N 3.15Å
193	T	24.2	Very low	35.2	Very low	108 Å²	108	133.3 Å²	133.3	66%	0.663	66%	0.655	S	S	*	*			trans	-66.4	80.6	177.1	-32.7	0	0	0	0	110.3	T195	T193-T195 PolarHBondContact O-N 3.19Å
194	C	25.7	Very low	36.4	Very low	92 Å²	92	131.5 Å²	131.5	62%	0.622	65%	0.649	S	S	*	*			trans	-75.4	98.3	177.1	-166.7	0	0	0	0	108.3	I192 R196	I192-C194 PolarHBondContact O-N 3.15Å; C194-R196 PolarHBondContact O-N 2.95Å
195	T	26	Very low	38.1	Very low	110 Å²	110	125.9 Å²	125.9	68%	0.675	63%	0.63	S	S	*	*			trans	-48.1	136.7	160.3	43.6	0	0	0	0	108.5	T193 V197	T193-T195 PolarHBondContact O-N 3.19Å; T195-V197 PolarHBondContact O-N 3.49Å
196	R	35.8	Very low	39.5	Very low	243 Å²	243	124.6 Å²	124.6	92%	0.917	63%	0.63	S	S	*	*			trans	-75.5	57.2	-164.7	-164.9	-179.4	178.8	174.1	0.2	112.8	C194	C194-R196 PolarHBondContact O-N 2.95Å
197	V	38	Very low	41.1	Very low	64 Å²	64	123.3 Å²	123.3	39%	0.388	62%	0.618	S	S	.	*			trans	-78.5	123.3	174.2	-172.8	0	0	0	0	108.2	T195 F199 N210	T195-V197 PolarHBondContact O-N 3.49Å; V197-F199 HydrophobicContact CB-CE2 4.27Å; V197-F199 WeakPolarHBondContact O-CD2 3.36Å; V197-F199 PolarHBondContact O-N 3.41Å; V197-N210 HydrophobicContact CG1-CB 3.89Å
198	N	43.4	Very low	42.7	Very low	107 Å²	107	118.3 Å²	118.3	57%	0.572	60%	0.6	S	S	*	*			trans	-65.1	108.7	176	-72	-30.4	0	0	0	109.7	Y200	N198-Y200 HydrophobicContact CB-CE2 3.74Å; N198-Y200 WeakPolarHBondContact O-CD2 3.17Å; N198-Y200 WeakPolarHBondContact O-CE2 3.32Å; N198-Y200 PolarHBondContact O-N 3.02Å
199	F	45.7	Very low	44.6	Very low	113 Å²	113	113.7 Å²	113.7	50%	0.496	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.8	103.4	176.8	-76.7	-80.2	0	0	0	110.6	V197 A208 F209 N210	V197-F199 HydrophobicContact CB-CE2 4.27Å; V197-F199 WeakPolarHBondContact O-CD2 3.36Å; V197-F199 PolarHBondContact O-N 3.41Å; F199-A208 HydrophobicContact CD1-CB 4.49Å; F199-F209 WeakPolarHBondContact CA-O 3.37Å; F199-N210 HydrophobicContact CD1-CB 4.49Å; F199-N210 HydrophobicContact CE1-CB 4.01Å
200	Y	56.6	Low	45.4	Very low	77 Å²	77	111.6 Å²	111.6	30%	0.302	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.9	123.2	177.1	-58.7	-97.1	0	0	0	109.2	N198 A208 F209 F215	N198-Y200 HydrophobicContact CB-CE2 3.74Å; N198-Y200 WeakPolarHBondContact O-CD2 3.17Å; N198-Y200 WeakPolarHBondContact O-CE2 3.32Å; N198-Y200 PolarHBondContact O-N 3.02Å; Y200-A208 CarbonylContact O-C 3.6Å; Y200-A208 WeakPolarHBondContact O-CA 3.26Å; Y200-F209 PolarHBondContact N-O 3.45Å; Y200-F209 PolarHBondContact O-N 2.82Å; Y200-F215 VanDerWaalsContact CB-CD1 3.5Å; Y200-F215 AromaticContact CD1-CD1 3.86Å; Y200-F215 HydrophobicContact CD1-CD1 3.86Å; Y200-F215 HydrophobicContact CD1-CE1 4.24Å; Y200-F215 HydrophobicContact CD1-CG 4.45Å; Y200-F215 HydrophobicContact CD2-CB 4.46Å; Y200-F215 HydrophobicContact CG-CB 4.06Å; Y200-F215 AromaticContact CG-CD1 3.87Å; Y200-F215 HydrophobicContact CG-CD1 3.87Å; Y200-F215 AromaticContact CG-CG 3.99Å; Y200-F215 HydrophobicContact CG-CG 3.99Å
201	K	54.1	Low	46.7	Very low	153 Å²	153	100.6 Å²	100.6	67%	0.665	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	133.9	178.3	-69.8	179.4	-179.7	176.8	0	110.5	K207 A208 F215	K201-K207 CarbonylContact C-O 3.58Å; K201-K207 WeakPolarHBondContact CA-O 3.42Å; K201-A208 HydrophobicContact CG-CB 4.11Å; K201-F215 VanDerWaalsContact C-CE2 3.49Å; K201-F215 VanDerWaalsContact O-CE2 3.31Å; K201-F215 WeakPolarHBondContact O-CE2 3.38Å; K201-F215 WeakPolarHBondContact O-CZ 3.49Å
202	C	62	Low	48	Very low	2 Å²	2	95.3 Å²	95.3	1%	0.014	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-86.2	116.3	171	168.7	0	0	0	0	109.2	D204 C205 G206 K207 F209 F215 H222	C202-D204 VanDerWaalsContact C-N 3.29Å; C202-D204 PolarHBondContact O-N 3.19Å; C202-D204 PolarHBondContact SG-OD2 2.81Å; C202-C205 PolarHBondContact O-N 3.27Å; C202-G206 VanDerWaalsContact O-CA 3.27Å; C202-G206 WeakPolarHBondContact O-CA 3.42Å; C202-G206 PolarHBondContact O-N 3.15Å; C202-K207 PolarHBondContact N-O 3.09Å; C202-F209 HydrophobicContact CB-CE2 4.32Å; C202-F215 HydrophobicContact CB-CE2 4.01Å; C202-H222 PolarHBondContact SG-CD2 2.96Å; C202-H222 PolarHBondContact SG-NE2 3.38Å
203	E	56.1	Low	49.4	Very low	175 Å²	175	93.7 Å²	93.7	82%	0.818	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.8	-179	-66.6	162.8	157.1	0	0	111	C205	E203-C205 VanDerWaalsContact C-N 3.29Å; E203-C205 PolarHBondContact O-N 2.98Å
204	D	51.1	Low	51	Low	93 Å²	93	92.7 Å²	92.7	50%	0.497	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.5	-177.6	-37.7	-86.7	0	0	0	114.2	C202 H222	C202-D204 VanDerWaalsContact C-N 3.29Å; C202-D204 PolarHBondContact O-N 3.19Å; C202-D204 PolarHBondContact SG-OD2 2.81Å; D204-H222 HydrophobicContact CB-CB 4.16Å; D204-H222 IonicContact OD2-CD2 2.73Å
205	C	60.8	Low	52.9	Low	50 Å²	50	90 Å²	90	34%	0.338	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	13	-178.5	77.6	0	0	0	0	116.4	C202 E203 K207 H218 H222	C202-C205 PolarHBondContact O-N 3.27Å; E203-C205 VanDerWaalsContact C-N 3.29Å; E203-C205 PolarHBondContact O-N 2.98Å; C205-K207 PolarHBondContact O-N 3.04Å; C205-K207 VanDerWaalsContact O-N 3.11Å; C205-H218 PolarHBondContact SG-NE2 3.3Å; C205-H222 PolarHBondContact SG-NE2 3.27Å; C205-H222 VanDerWaalsContact SG-NE2 3.4Å
206	G	55.1	Low	54.6	Low	64 Å²	64	87.5 Å²	87.5	66%	0.66	46%	0.456	S	S	*	.			trans	70.7	-2.4	174.2	0	0	0	0	0	117.1	C202	C202-G206 VanDerWaalsContact O-CA 3.27Å; C202-G206 WeakPolarHBondContact O-CA 3.42Å; C202-G206 PolarHBondContact O-N 3.15Å
207	K	59.7	Low	55.9	Low	119 Å²	119	80.4 Å²	80.4	52%	0.517	43%	0.432	S	S	.	.			trans	-75.6	135.5	-174.3	-67.8	177.8	-172.4	174.7	0	112.4	K201 C202 C205 F209	K201-K207 CarbonylContact C-O 3.58Å; K201-K207 WeakPolarHBondContact CA-O 3.42Å; C202-K207 PolarHBondContact N-O 3.09Å; C205-K207 PolarHBondContact O-N 3.04Å; C205-K207 VanDerWaalsContact O-N 3.11Å; K207-F209 HydrophobicContact CB-CD2 4.47Å; K207-F209 HydrophobicContact CB-CE2 3.48Å; K207-F209 VanDerWaalsContact CB-CE2 3.48Å; K207-F209 HydrophobicContact CB-CZ 3.65Å; K207-F209 HydrophobicContact CD-CZ 4.24Å; K207-F209 WeakPolarHBondContact O-CE2 3.46Å
208	A	57.4	Low	57.4	Low	55 Å²	55	78.3 Å²	78.3	46%	0.455	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.2	174.3	0	0	0	0	0	111.5	F199 Y200 K201	F199-A208 HydrophobicContact CD1-CB 4.49Å; Y200-A208 CarbonylContact O-C 3.6Å; Y200-A208 WeakPolarHBondContact O-CA 3.26Å; K201-A208 HydrophobicContact CG-CB 4.11Å
209	F	67.6	Low	58.2	Low	36 Å²	36	76.7 Å²	76.7	16%	0.158	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.7	-176.2	-61.4	-89.6	0	0	0	111.6	F199 Y200 C202 K207 G211 I214 F215 H218	F199-F209 WeakPolarHBondContact CA-O 3.37Å; Y200-F209 PolarHBondContact N-O 3.45Å; Y200-F209 PolarHBondContact O-N 2.82Å; C202-F209 HydrophobicContact CB-CE2 4.32Å; K207-F209 HydrophobicContact CB-CD2 4.47Å; K207-F209 HydrophobicContact CB-CE2 3.48Å; K207-F209 VanDerWaalsContact CB-CE2 3.48Å; K207-F209 HydrophobicContact CB-CZ 3.65Å; K207-F209 HydrophobicContact CD-CZ 4.24Å; K207-F209 WeakPolarHBondContact O-CE2 3.46Å; F209-G211 VanDerWaalsContact C-N 3.35Å; F209-G211 PolarHBondContact O-N 2.95Å; F209-G211 VanDerWaalsContact O-N 3.07Å; F209-I214 HydrophobicContact CD1-CG2 3.79Å; F209-F215 HydrophobicContact CB-CB 4.09Å; F209-F215 AromaticContact CD2-CD2 3.91Å; F209-F215 HydrophobicContact CD2-CD2 3.91Å; F209-F215 HydrophobicContact CG-CB 4.5Å; F209-H218 HydrophobicContact CE1-CB 4.02Å; F209-H218 AromaticContact CE1-CG 3.96Å; F209-H218 HydrophobicContact CE2-CB 4.07Å; F209-H218 AromaticContact CE2-CD2 3.18Å; F209-H218 WeakPolarHBondContact CE2-CD2 3.13Å; F209-H218 AromaticContact CE2-CG 3.62Å; F209-H218 AromaticContact CE2-NE2 3.8Å; F209-H218 HydrophobicContact CZ-CB 3.72Å; F209-H218 AromaticContact CZ-CD2 3.24Å; F209-H218 WeakPolarHBondContact CZ-CD2 3.29Å; F209-H218 AromaticContact CZ-CE1 3.95Å; F209-H218 AromaticContact CZ-CG 3.23Å; F209-H218 AromaticContact CZ-ND1 3.69Å; F209-H218 AromaticContact CZ-NE2 3.69Å
210	N	44.9	Very low	59.2	Low	104 Å²	104	74 Å²	74	56%	0.556	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	74.4	177.6	58.9	-34.5	0	0	0	111.4	V197 F199	V197-N210 HydrophobicContact CG1-CB 3.89Å; F199-N210 HydrophobicContact CD1-CB 4.49Å; F199-N210 HydrophobicContact CE1-CB 4.01Å
211	G	56.3	Low	59.4	Low	23 Å²	23	75 Å²	75	24%	0.237	40%	0.402	C	S	.	.	S	Bend	trans	124.8	141.3	173.2	0	0	0	0	0	114.9	F209 L213 I214 F215	F209-G211 VanDerWaalsContact C-N 3.35Å; F209-G211 PolarHBondContact O-N 2.95Å; F209-G211 VanDerWaalsContact O-N 3.07Å; G211-L213 PolarHBondContact O-N 2.84Å; G211-I214 PolarHBondContact O-N 3.09Å; G211-F215 PolarHBondContact O-N 3.06Å
212	S	56.3	Low	59.6	Low	58 Å²	58	71.2 Å²	71.2	41%	0.406	39%	0.387	S	S	.	.	H	α-helix	trans	-57.8	-42.4	-170.6	-169.2	0	0	0	0	113	I214 F215 T216	S212-I214 VanDerWaalsContact C-N 3.34Å; S212-I214 PolarHBondContact O-N 2.86Å; S212-F215 WeakPolarHBondContact O-CB 3.29Å; S212-F215 PolarHBondContact O-N 2.92Å; S212-T216 WeakPolarHBondContact O-CB 2.92Å; S212-T216 PolarHBondContact O-N 3.17Å; S212-T216 PolarHBondContact O-OG1 3.27Å
213	L	60.3	Low	59.4	Low	122 Å²	122	75 Å²	75	64%	0.639	41%	0.407	S	S	*	.	H	α-helix	trans	-63.6	-36.6	-177.3	-174.5	63.4	0	0	0	113.4	G211 K217	G211-L213 PolarHBondContact O-N 2.84Å; L213-K217 WeakPolarHBondContact O-CB 3.38Å; L213-K217 VanDerWaalsContact O-CG 3.26Å; L213-K217 WeakPolarHBondContact O-CG 3.28Å; L213-K217 PolarHBondContact O-N 3.45Å; L213-K217 VanDerWaalsContact O-N 3.13Å
214	I	58.6	Low	59.3	Low	87 Å²	87	69 Å²	69	45%	0.446	39%	0.392	S	S	.	.	H	α-helix	trans	-72.7	-41.9	177.4	-54.1	179.3	0	0	0	109.4	F209 G211 S212 K217 H218	F209-I214 HydrophobicContact CD1-CG2 3.79Å; G211-I214 PolarHBondContact O-N 3.09Å; S212-I214 VanDerWaalsContact C-N 3.34Å; S212-I214 PolarHBondContact O-N 2.86Å; I214-K217 PolarHBondContact O-N 2.88Å; I214-H218 PolarHBondContact O-N 2.84Å
215	F	66	Low	59.7	Low	34 Å²	34	69 Å²	69	15%	0.149	39%	0.389	C	S	.	.	H	α-helix	trans	-59.8	-47.3	174.1	175.4	-117.5	0	0	0	113.2	Y200 K201 C202 F209 G211 S212 K217 H218 K219	Y200-F215 VanDerWaalsContact CB-CD1 3.5Å; Y200-F215 AromaticContact CD1-CD1 3.86Å; Y200-F215 HydrophobicContact CD1-CD1 3.86Å; Y200-F215 HydrophobicContact CD1-CE1 4.24Å; Y200-F215 HydrophobicContact CD1-CG 4.45Å; Y200-F215 HydrophobicContact CD2-CB 4.46Å; Y200-F215 HydrophobicContact CG-CB 4.06Å; Y200-F215 AromaticContact CG-CD1 3.87Å; Y200-F215 HydrophobicContact CG-CD1 3.87Å; Y200-F215 AromaticContact CG-CG 3.99Å; Y200-F215 HydrophobicContact CG-CG 3.99Å; K201-F215 VanDerWaalsContact C-CE2 3.49Å; K201-F215 VanDerWaalsContact O-CE2 3.31Å; K201-F215 WeakPolarHBondContact O-CE2 3.38Å; K201-F215 WeakPolarHBondContact O-CZ 3.49Å; C202-F215 HydrophobicContact CB-CE2 4.01Å; F209-F215 HydrophobicContact CB-CB 4.09Å; F209-F215 AromaticContact CD2-CD2 3.91Å; F209-F215 HydrophobicContact CD2-CD2 3.91Å; F209-F215 HydrophobicContact CG-CB 4.5Å; G211-F215 PolarHBondContact O-N 3.06Å; S212-F215 WeakPolarHBondContact O-CB 3.29Å; S212-F215 PolarHBondContact O-N 2.92Å; F215-K217 PolarHBondContact O-N 3.17Å; F215-H218 CarbonylContact O-C 3.58Å; F215-H218 WeakPolarHBondContact O-CA 3.32Å; F215-H218 WeakPolarHBondContact O-CB 3.27Å; F215-H218 PolarHBondContact O-N 3.18Å; F215-H218 VanDerWaalsContact O-N 3.07Å; F215-K219 PolarHBondContact O-N 3.35Å
216	T	59.8	Low	60	Low	58 Å²	58	72.4 Å²	72.4	36%	0.356	40%	0.398	S	S	.	.	H	α-helix	trans	-63.4	-42.3	177.6	-56.8	0	0	0	0	111.4	S212 H218 K219 R220	S212-T216 WeakPolarHBondContact O-CB 2.92Å; S212-T216 PolarHBondContact O-N 3.17Å; S212-T216 PolarHBondContact O-OG1 3.27Å; T216-H218 PolarHBondContact O-N 3.44Å; T216-K219 PolarHBondContact O-N 3.25Å; T216-R220 WeakPolarHBondContact O-CG 3.35Å; T216-R220 PolarHBondContact O-N 3.09Å
217	K	65.1	Low	60.6	Low	95 Å²	95	72.9 Å²	72.9	41%	0.413	39%	0.39	S	S	.	.	H	α-helix	trans	-59.8	-35.3	172	-75.8	172.5	-178.8	178.4	0	112	L213 I214 F215 L239	L213-K217 WeakPolarHBondContact O-CB 3.38Å; L213-K217 VanDerWaalsContact O-CG 3.26Å; L213-K217 WeakPolarHBondContact O-CG 3.28Å; L213-K217 PolarHBondContact O-N 3.45Å; L213-K217 VanDerWaalsContact O-N 3.13Å; I214-K217 PolarHBondContact O-N 2.88Å; F215-K217 PolarHBondContact O-N 3.17Å; K217-L239 HydrophobicContact CB-CD2 4.19Å; K217-L239 HydrophobicContact CD-CD2 4.01Å; K217-L239 HydrophobicContact CG-CD2 3.99Å
218	H	68.2	Low	61	Low	20 Å²	20	70.9 Å²	70.9	9%	0.093	38%	0.38	C	S	.	.	H	α-helix	trans	-72.8	-42.7	175	179.1	62.5	0	0	0	113.2	C205 F209 I214 F215 T216 R220 I221 H222	C205-H218 PolarHBondContact SG-NE2 3.3Å; F209-H218 HydrophobicContact CE1-CB 4.02Å; F209-H218 AromaticContact CE1-CG 3.96Å; F209-H218 HydrophobicContact CE2-CB 4.07Å; F209-H218 AromaticContact CE2-CD2 3.18Å; F209-H218 WeakPolarHBondContact CE2-CD2 3.13Å; F209-H218 AromaticContact CE2-CG 3.62Å; F209-H218 AromaticContact CE2-NE2 3.8Å; F209-H218 HydrophobicContact CZ-CB 3.72Å; F209-H218 AromaticContact CZ-CD2 3.24Å; F209-H218 WeakPolarHBondContact CZ-CD2 3.29Å; F209-H218 AromaticContact CZ-CE1 3.95Å; F209-H218 AromaticContact CZ-CG 3.23Å; F209-H218 AromaticContact CZ-ND1 3.69Å; F209-H218 AromaticContact CZ-NE2 3.69Å; I214-H218 PolarHBondContact O-N 2.84Å; F215-H218 CarbonylContact O-C 3.58Å; F215-H218 WeakPolarHBondContact O-CA 3.32Å; F215-H218 WeakPolarHBondContact O-CB 3.27Å; F215-H218 PolarHBondContact O-N 3.18Å; F215-H218 VanDerWaalsContact O-N 3.07Å; T216-H218 PolarHBondContact O-N 3.44Å; H218-R220 VanDerWaalsContact C-N 3.26Å; H218-R220 PolarHBondContact O-N 2.9Å; H218-I221 WeakPolarHBondContact O-CB 3.48Å; H218-I221 WeakPolarHBondContact O-CG1 3.4Å; H218-I221 PolarHBondContact O-N 2.97Å; H218-H222 AromaticContact CD2-NE2 3.88Å; H218-H222 AromaticContact CE1-NE2 3.38Å; H218-H222 PolarHBondContact CE1-NE2 3.24Å; H218-H222 AromaticContact NE2-CD2 3.89Å; H218-H222 AromaticContact NE2-NE2 3.03Å; H218-H222 PolarHBondContact NE2-NE2 2.89Å
219	K	60.4	Low	61.6	Low	73 Å²	73	75 Å²	75	32%	0.317	39%	0.387	S	S	.	.	H	α-helix	trans	-61.8	-33.1	-178.4	-168.6	165.5	-173.6	169.3	0	112.7	F215 T216 I221 H222 N223	F215-K219 PolarHBondContact O-N 3.35Å; T216-K219 PolarHBondContact O-N 3.25Å; K219-I221 PolarHBondContact O-N 2.95Å; K219-I221 VanDerWaalsContact O-N 3.08Å; K219-H222 PolarHBondContact O-N 3.14Å; K219-N223 PolarHBondContact O-N 3.32Å
220	R	67.7	Low	61.8	Low	57 Å²	57	73.2 Å²	73.2	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-56.1	-22	170.9	-68.8	174.6	-173.9	179.8	1.5	114.3	T216 H218 G224 E225 Y228	T216-R220 WeakPolarHBondContact O-CG 3.35Å; T216-R220 PolarHBondContact O-N 3.09Å; H218-R220 VanDerWaalsContact C-N 3.26Å; H218-R220 PolarHBondContact O-N 2.9Å; R220-G224 PolarHBondContact O-N 2.96Å; R220-E225 HydrophobicContact CB-CB 4.21Å; R220-E225 HydrophobicContact CG-CB 4.1Å; R220-E225 PolarHBondContact O-N 2.88Å; R220-Y228 PolarHBondContact NH1-OH 3.42Å
221	I	60.6	Low	63	Low	97 Å²	97	75.5 Å²	75.5	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-71.6	-36.2	176.3	-55.6	175.8	0	0	0	111	H218 K219	H218-I221 WeakPolarHBondContact O-CB 3.48Å; H218-I221 WeakPolarHBondContact O-CG1 3.4Å; H218-I221 PolarHBondContact O-N 2.97Å; K219-I221 PolarHBondContact O-N 2.95Å; K219-I221 VanDerWaalsContact O-N 3.08Å
222	H	58.5	Low	63.5	Low	74 Å²	74	79.5 Å²	79.5	34%	0.343	40%	0.399	S	S	.	.	H	α-helix	trans	-86.1	-41	179.6	-53.8	-61.4	0	0	0	111.9	C202 D204 C205 H218 K219 G224	C202-H222 PolarHBondContact SG-CD2 2.96Å; C202-H222 PolarHBondContact SG-NE2 3.38Å; D204-H222 HydrophobicContact CB-CB 4.16Å; D204-H222 IonicContact OD2-CD2 2.73Å; C205-H222 PolarHBondContact SG-NE2 3.27Å; C205-H222 VanDerWaalsContact SG-NE2 3.4Å; H218-H222 AromaticContact CD2-NE2 3.88Å; H218-H222 AromaticContact CE1-NE2 3.38Å; H218-H222 PolarHBondContact CE1-NE2 3.24Å; H218-H222 AromaticContact NE2-CD2 3.89Å; H218-H222 AromaticContact NE2-NE2 3.03Å; H218-H222 PolarHBondContact NE2-NE2 2.89Å; K219-H222 PolarHBondContact O-N 3.14Å; H222-G224 PolarHBondContact O-N 2.72Å; H222-G224 VanDerWaalsContact O-N 3.13Å
223	N	56.6	Low	64.1	Low	81 Å²	81	79 Å²	79	43%	0.433	40%	0.395	S	S	.	.	S	Bend	trans	-65.3	-12.7	175.7	-70	22.5	0	0	0	113.4	K219 E225	K219-N223 PolarHBondContact O-N 3.32Å; N223-E225 HydrophobicContact CB-CB 4.4Å; N223-E225 HydrophobicContact CB-CG 3.88Å; N223-E225 WeakPolarHBondContact CB-OE1 3.46Å; N223-E225 PolarHBondContact ND2-OE1 2.79Å; N223-E225 PolarHBondContact O-N 2.9Å
224	G	55.3	Low	64.5	Low	50 Å²	50	75.9 Å²	75.9	52%	0.515	39%	0.392	S	S	.	.			trans	69.8	4.8	-174.2	0	0	0	0	0	114.5	R220 H222 K226	R220-G224 PolarHBondContact O-N 2.96Å; H222-G224 PolarHBondContact O-N 2.72Å; H222-G224 VanDerWaalsContact O-N 3.13Å; G224-K226 PolarHBondContact O-N 3.35Å
225	E	58.5	Low	64.9	Low	91 Å²	91	77.2 Å²	77.2	43%	0.425	40%	0.395	S	S	.	.			trans	-60.6	114.9	-176.9	-79.6	169.4	-141.9	0	0	112	R220 N223 P227	R220-E225 HydrophobicContact CB-CB 4.21Å; R220-E225 HydrophobicContact CG-CB 4.1Å; R220-E225 PolarHBondContact O-N 2.88Å; N223-E225 HydrophobicContact CB-CB 4.4Å; N223-E225 HydrophobicContact CB-CG 3.88Å; N223-E225 WeakPolarHBondContact CB-OE1 3.46Å; N223-E225 PolarHBondContact ND2-OE1 2.79Å; N223-E225 PolarHBondContact O-N 2.9Å; E225-P227 VanDerWaalsContact O-CD 3.28Å; E225-P227 WeakPolarHBondContact O-CD 3.39Å
226	K	66.6	Low	65.1	Low	123 Å²	123	77.1 Å²	77.1	54%	0.535	40%	0.4	S	S	.	.			trans	-118.4	69.8	176	-69.6	163.7	171.1	-173.4	0	110	G224 Y228 A236 F237	G224-K226 PolarHBondContact O-N 3.35Å; K226-Y228 PolarHBondContact O-N 3.38Å; K226-A236 HydrophobicContact CB-CB 3.63Å; K226-A236 HydrophobicContact CD-CB 4.11Å; K226-A236 WeakPolarHBondContact CD-O 3.38Å; K226-A236 HydrophobicContact CG-CB 4.42Å; K226-F237 CarbonylContact C-O 3.34Å; K226-F237 VanDerWaalsContact C-O 3.3Å; K226-F237 VanDerWaalsContact CA-O 3.22Å; K226-F237 WeakPolarHBondContact CA-O 3.4Å
227	P	67.2	Low	65.8	Low	74 Å²	74	76.5 Å²	76.5	48%	0.481	39%	0.392	S	S	.	.			trans	-68.5	-22.1	-173.4	28.4	-35.5	0	0	0	112.9	E225 K229	E225-P227 VanDerWaalsContact O-CD 3.28Å; E225-P227 WeakPolarHBondContact O-CD 3.39Å; P227-K229 PolarHBondContact O-N 3.41Å
228	Y	69.8	Low	65.6	Low	77 Å²	77	74 Å²	74	30%	0.302	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	98.3	-179.9	-53.1	-73.8	0	0	0	109.9	R220 K226 A236 F237 I243	R220-Y228 PolarHBondContact NH1-OH 3.42Å; K226-Y228 PolarHBondContact O-N 3.38Å; Y228-A236 CarbonylContact O-C 3.57Å; Y228-A236 WeakPolarHBondContact O-CA 3.45Å; Y228-F237 PolarHBondContact N-O 3.47Å; Y228-F237 PolarHBondContact O-N 3.32Å; Y228-I243 HydrophobicContact CD1-CG2 4.4Å; Y228-I243 HydrophobicContact CG-CG2 4.14Å
229	K	69.9	Low	65.6	Low	140 Å²	140	75.1 Å²	75.1	61%	0.609	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	135	176.7	-63	-177.1	-178.8	176.7	0	110.7	P227 A236 I243	P227-K229 PolarHBondContact O-N 3.41Å; K229-A236 HydrophobicContact CG-CB 3.93Å; K229-I243 WeakPolarHBondContact O-CD1 3.48Å
230	C	70.3	Confident	65.8	Low	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.394	C	S	.	.			trans	-76.8	117.4	169.6	-170.8	0	0	0	0	108.6	E232 G234 K235 I243 H250	C230-E232 VanDerWaalsContact C-N 3.32Å; C230-E232 PolarHBondContact O-N 3.35Å; C230-E232 PolarHBondContact SG-OE2 3.25Å; C230-E232 VanDerWaalsContact SG-OE2 3.36Å; C230-G234 VanDerWaalsContact O-CA 3.28Å; C230-G234 WeakPolarHBondContact O-CA 3.25Å; C230-G234 PolarHBondContact O-N 2.86Å; C230-K235 WeakPolarHBondContact CB-O 3.23Å; C230-K235 PolarHBondContact N-O 2.81Å; C230-I243 HydrophobicContact CB-CD1 4.39Å; C230-H250 PolarHBondContact SG-CD2 3.03Å; C230-H250 PolarHBondContact SG-NE2 2.87Å; C230-H250 VanDerWaalsContact SG-NE2 3.36Å
231	E	70.1	Confident	65.6	Low	152 Å²	152	75.1 Å²	75.1	71%	0.71	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-36.8	-179.1	-66.8	100.4	166.7	0	0	112.6	C233 K247	E231-C233 VanDerWaalsContact C-N 3.35Å; E231-C233 PolarHBondContact O-N 3.21Å; E231-K247 WeakPolarHBondContact OE2-CE 3.5Å; E231-K247 IonicContact OE2-NZ 2.61Å; E231-K247 PolarHBondContact OE2-NZ 3.3Å
232	E	67.6	Low	66.1	Low	106 Å²	106	74.5 Å²	74.5	50%	0.495	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.6	-174.1	-60.3	133.7	138.8	0	0	114.8	C230 H250	C230-E232 VanDerWaalsContact C-N 3.32Å; C230-E232 PolarHBondContact O-N 3.35Å; C230-E232 PolarHBondContact SG-OE2 3.25Å; C230-E232 VanDerWaalsContact SG-OE2 3.36Å; E232-H250 IonicContact OE2-CD2 2.74Å
233	C	69.8	Low	66.7	Low	49 Å²	49	71.8 Å²	71.8	33%	0.331	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	10.1	-176.5	73.2	0	0	0	0	115	E231 K235 H246 H250	E231-C233 VanDerWaalsContact C-N 3.35Å; E231-C233 PolarHBondContact O-N 3.21Å; C233-K235 PolarHBondContact O-N 3.38Å; C233-H246 PolarHBondContact SG-NE2 2.58Å; C233-H250 PolarHBondContact SG-CE1 3.26Å; C233-H250 PolarHBondContact SG-NE2 3.17Å
234	G	67.5	Low	67.1	Low	55 Å²	55	71 Å²	71	57%	0.567	39%	0.389	S	S	*	.			trans	67.8	-5.8	178.4	0	0	0	0	0	116.6	C230 A236	C230-G234 VanDerWaalsContact O-CA 3.28Å; C230-G234 WeakPolarHBondContact O-CA 3.25Å; C230-G234 PolarHBondContact O-N 2.86Å; G234-A236 PolarHBondContact O-N 3.44Å
235	K	67.8	Low	67.5	Low	116 Å²	116	71.2 Å²	71.2	50%	0.504	38%	0.38	S	S	.	.			trans	-64.8	132.1	-176.3	-70.6	173	-171.9	160.1	0	111.2	C230 C233 F237	C230-K235 WeakPolarHBondContact CB-O 3.23Å; C230-K235 PolarHBondContact N-O 2.81Å; C233-K235 PolarHBondContact O-N 3.38Å; K235-F237 HydrophobicContact CB-CE2 3.84Å; K235-F237 HydrophobicContact CB-CZ 4.02Å; K235-F237 VanDerWaalsContact O-CE2 3.31Å; K235-F237 WeakPolarHBondContact O-CE2 3.4Å
236	A	70.5	Confident	68	Low	31 Å²	31	67.6 Å²	67.6	26%	0.256	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.3	-168.8	0	0	0	0	0	112.8	K226 Y228 K229 G234	K226-A236 HydrophobicContact CB-CB 3.63Å; K226-A236 HydrophobicContact CD-CB 4.11Å; K226-A236 WeakPolarHBondContact CD-O 3.38Å; K226-A236 HydrophobicContact CG-CB 4.42Å; Y228-A236 CarbonylContact O-C 3.57Å; Y228-A236 WeakPolarHBondContact O-CA 3.45Å; K229-A236 HydrophobicContact CG-CB 3.93Å; G234-A236 PolarHBondContact O-N 3.44Å
237	F	74.6	Confident	68	Low	45 Å²	45	65.1 Å²	65.1	20%	0.197	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.4	-169.4	-58.1	-89.5	0	0	0	112.3	K226 Y228 K235 H242 I243 H246	K226-F237 CarbonylContact C-O 3.34Å; K226-F237 VanDerWaalsContact C-O 3.3Å; K226-F237 VanDerWaalsContact CA-O 3.22Å; K226-F237 WeakPolarHBondContact CA-O 3.4Å; Y228-F237 PolarHBondContact N-O 3.47Å; Y228-F237 PolarHBondContact O-N 3.32Å; K235-F237 HydrophobicContact CB-CE2 3.84Å; K235-F237 HydrophobicContact CB-CZ 4.02Å; K235-F237 VanDerWaalsContact O-CE2 3.31Å; K235-F237 WeakPolarHBondContact O-CE2 3.4Å; F237-H242 HydrophobicContact CB-CB 4.22Å; F237-H242 HydrophobicContact CD1-CB 3.83Å; F237-H242 HydrophobicContact CG-CB 4.3Å; F237-I243 HydrophobicContact CB-CB 4.33Å; F237-I243 HydrophobicContact CD2-CB 3.89Å; F237-I243 HydrophobicContact CD2-CG1 4.24Å; F237-I243 HydrophobicContact CG-CB 4.27Å; F237-H246 HydrophobicContact CE1-CB 4.15Å; F237-H246 HydrophobicContact CE2-CB 3.91Å; F237-H246 AromaticContact CE2-CD2 3.3Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.42Å; F237-H246 AromaticContact CE2-CG 3.67Å; F237-H246 HydrophobicContact CZ-CB 3.58Å; F237-H246 AromaticContact CZ-CD2 3.35Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.04Å; F237-H246 AromaticContact CZ-CG 3.29Å; F237-H246 AromaticContact CZ-ND1 3.97Å
238	N	59.8	Low	68	Low	42 Å²	42	62.5 Å²	62.5	23%	0.225	33%	0.334	C	S	.	.	S	Bend	trans	-85.6	-17.2	-180	58.9	-6.2	0	0	0	114.1	H242	N238-H242 PolarHBondContact OD1-ND1 3.41Å
239	L	69.1	Low	67.6	Low	44 Å²	44	64.7 Å²	64.7	23%	0.23	35%	0.35	C	S	.	.	S	Bend	trans	-133.8	137.2	-174.1	-74.7	163.3	0	0	0	110.4	K217 S241 H242 I243	K217-L239 HydrophobicContact CB-CD2 4.19Å; K217-L239 HydrophobicContact CD-CD2 4.01Å; K217-L239 HydrophobicContact CG-CD2 3.99Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3.46Å; L239-H242 HydrophobicContact CB-CB 4.49Å; L239-H242 PolarHBondContact O-N 3.27Å; L239-H242 VanDerWaalsContact O-N 3.08Å; L239-I243 PolarHBondContact O-N 3.28Å
240	S	64.6	Low	67.3	Low	59 Å²	59	61.4 Å²	61.4	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-39.1	-178.6	-158.8	0	0	0	0	112.2	H242 I243 T244	S240-H242 PolarHBondContact O-N 2.78Å; S240-I243 WeakPolarHBondContact O-CG2 3.39Å; S240-I243 PolarHBondContact O-N 3.42Å; S240-T244 PolarHBondContact O-N 3.43Å; S240-T244 PolarHBondContact O-OG1 3.36Å; S240-T244 VanDerWaalsContact O-OG1 3.06Å
241	S	64.1	Low	66.9	Low	71 Å²	71	65 Å²	65	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-58.5	-35.2	176.5	51.2	0	0	0	0	112.8	L239 T244 T245	L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3.46Å; S241-T244 PolarHBondContact O-N 3.08Å; S241-T245 WeakPolarHBondContact O-CG2 3.4Å; S241-T245 PolarHBondContact O-N 3.21Å; S241-T245 PolarHBondContact O-OG1 3.41Å; S241-T245 VanDerWaalsContact O-OG1 3.09Å
242	H	70.3	Confident	66.3	Low	84 Å²	84	60.9 Å²	60.9	39%	0.389	36%	0.357	S	S	.	.	H	α-helix	trans	-73.5	-34.9	-180	-64.2	163.7	0	0	0	112.9	F237 N238 L239 S240 T245 H246	F237-H242 HydrophobicContact CB-CB 4.22Å; F237-H242 HydrophobicContact CD1-CB 3.83Å; F237-H242 HydrophobicContact CG-CB 4.3Å; N238-H242 PolarHBondContact OD1-ND1 3.41Å; L239-H242 HydrophobicContact CB-CB 4.49Å; L239-H242 PolarHBondContact O-N 3.27Å; L239-H242 VanDerWaalsContact O-N 3.08Å; S240-H242 PolarHBondContact O-N 2.78Å; H242-T245 WeakPolarHBondContact CA-OG1 3.05Å; H242-T245 PolarHBondContact O-OG1 3.31Å; H242-H246 VanDerWaalsContact O-CB 3.24Å; H242-H246 WeakPolarHBondContact O-CB 3.44Å; H242-H246 PolarHBondContact O-N 3.46Å; H242-H246 VanDerWaalsContact O-N 3.11Å
243	I	71.1	Confident	65.9	Low	17 Å²	17	62 Å²	62	9%	0.087	36%	0.362	C	S	.	.	H	α-helix	trans	-70.7	-38.4	171	-175.6	164.6	0	0	0	111.1	Y228 K229 C230 F237 L239 S240 T245 H246 K247	Y228-I243 HydrophobicContact CD1-CG2 4.4Å; Y228-I243 HydrophobicContact CG-CG2 4.14Å; K229-I243 WeakPolarHBondContact O-CD1 3.48Å; C230-I243 HydrophobicContact CB-CD1 4.39Å; F237-I243 HydrophobicContact CB-CB 4.33Å; F237-I243 HydrophobicContact CD2-CB 3.89Å; F237-I243 HydrophobicContact CD2-CG1 4.24Å; F237-I243 HydrophobicContact CG-CB 4.27Å; L239-I243 PolarHBondContact O-N 3.28Å; S240-I243 WeakPolarHBondContact O-CG2 3.39Å; S240-I243 PolarHBondContact O-N 3.42Å; I243-T245 PolarHBondContact O-N 3.29Å; I243-H246 CarbonylContact O-C 3.6Å; I243-H246 WeakPolarHBondContact O-CA 3.34Å; I243-H246 WeakPolarHBondContact O-CB 3.26Å; I243-H246 PolarHBondContact O-N 2.94Å; I243-K247 HydrophobicContact CG1-CG 4.29Å; I243-K247 PolarHBondContact O-N 3.32Å
244	T	65.3	Low	65.6	Low	66 Å²	66	62 Å²	62	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-59.4	-49.5	175.7	-54.9	0	0	0	0	110.5	S240 S241 H246 K247	S240-T244 PolarHBondContact O-N 3.43Å; S240-T244 PolarHBondContact O-OG1 3.36Å; S240-T244 VanDerWaalsContact O-OG1 3.06Å; S241-T244 PolarHBondContact O-N 3.08Å; T244-H246 PolarHBondContact O-N 3.11Å; T244-H246 VanDerWaalsContact O-N 3.17Å; T244-K247 PolarHBondContact O-N 2.86Å
245	T	62.8	Low	65.3	Low	54 Å²	54	62.9 Å²	62.9	33%	0.331	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-16.7	174.2	54	0	0	0	0	113.9	S241 H242 I243 Q267	S241-T245 WeakPolarHBondContact O-CG2 3.4Å; S241-T245 PolarHBondContact O-N 3.21Å; S241-T245 PolarHBondContact O-OG1 3.41Å; S241-T245 VanDerWaalsContact O-OG1 3.09Å; H242-T245 WeakPolarHBondContact CA-OG1 3.05Å; H242-T245 PolarHBondContact O-OG1 3.31Å; I243-T245 PolarHBondContact O-N 3.29Å; T245-Q267 HydrophobicContact CG2-CG 4.11Å
246	H	69.3	Low	65.1	Low	14 Å²	14	61.3 Å²	61.3	7%	0.065	35%	0.346	C	S	.	.	H	α-helix	trans	-89.6	-35.9	178.7	-179	51.9	0	0	0	113.2	C233 F237 H242 I243 T244 I248 I249 H250	C233-H246 PolarHBondContact SG-NE2 2.58Å; F237-H246 HydrophobicContact CE1-CB 4.15Å; F237-H246 HydrophobicContact CE2-CB 3.91Å; F237-H246 AromaticContact CE2-CD2 3.3Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.42Å; F237-H246 AromaticContact CE2-CG 3.67Å; F237-H246 HydrophobicContact CZ-CB 3.58Å; F237-H246 AromaticContact CZ-CD2 3.35Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.04Å; F237-H246 AromaticContact CZ-CG 3.29Å; F237-H246 AromaticContact CZ-ND1 3.97Å; H242-H246 VanDerWaalsContact O-CB 3.24Å; H242-H246 WeakPolarHBondContact O-CB 3.44Å; H242-H246 PolarHBondContact O-N 3.46Å; H242-H246 VanDerWaalsContact O-N 3.11Å; I243-H246 CarbonylContact O-C 3.6Å; I243-H246 WeakPolarHBondContact O-CA 3.34Å; I243-H246 WeakPolarHBondContact O-CB 3.26Å; I243-H246 PolarHBondContact O-N 2.94Å; T244-H246 PolarHBondContact O-N 3.11Å; T244-H246 VanDerWaalsContact O-N 3.17Å; H246-I248 PolarHBondContact O-N 2.65Å; H246-I249 VanDerWaalsContact O-CB 3.29Å; H246-I249 WeakPolarHBondContact O-CB 3.27Å; H246-I249 WeakPolarHBondContact O-CG1 3.43Å; H246-I249 PolarHBondContact O-N 3.13Å; H246-H250 AromaticContact CD2-NE2 3.76Å; H246-H250 AromaticContact CE1-CE1 3.82Å; H246-H250 AromaticContact CE1-NE2 3.44Å; H246-H250 PolarHBondContact CE1-NE2 3.3Å; H246-H250 AromaticContact NE2-CE1 3.76Å; H246-H250 AromaticContact NE2-NE2 3.07Å; H246-H250 PolarHBondContact NE2-NE2 2.82Å
247	K	66.4	Low	64.6	Low	72 Å²	72	65.6 Å²	65.6	31%	0.313	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-30.6	176.2	-73.7	-159.5	169.9	-159.1	0	112.3	E231 I243 T244 I249 H250 T251	E231-K247 WeakPolarHBondContact OE2-CE 3.5Å; E231-K247 IonicContact OE2-NZ 2.61Å; E231-K247 PolarHBondContact OE2-NZ 3.3Å; I243-K247 HydrophobicContact CG1-CG 4.29Å; I243-K247 PolarHBondContact O-N 3.32Å; T244-K247 PolarHBondContact O-N 2.86Å; K247-I249 PolarHBondContact O-N 3.03Å; K247-I249 VanDerWaalsContact O-N 3.1Å; K247-H250 PolarHBondContact O-N 2.91Å; K247-T251 PolarHBondContact O-N 3Å; K247-T251 VanDerWaalsContact O-N 3.08Å; K247-T251 PolarHBondContact O-OG1 3.12Å
248	I	66.8	Low	64.2	Low	18 Å²	18	63.7 Å²	63.7	9%	0.092	35%	0.351	C	S	.	.	H	α-helix	trans	-50.9	-32.4	169.7	-56.6	172.7	0	0	0	112.4	H246 H250 G252 P255 N266	H246-I248 PolarHBondContact O-N 2.65Å; I248-H250 VanDerWaalsContact C-N 3.26Å; I248-H250 PolarHBondContact O-N 2.69Å; I248-G252 WeakPolarHBondContact O-CA 3.44Å; I248-G252 PolarHBondContact O-N 2.9Å; I248-P255 HydrophobicContact CD1-CG 3.77Å; I248-P255 HydrophobicContact CG1-CG 3.79Å; I248-N266 HydrophobicContact CD1-CB 3.96Å; I248-N266 WeakPolarHBondContact CD1-O 3.42Å
249	I	61.4	Low	64.2	Low	124 Å²	124	69.7 Å²	69.7	64%	0.636	38%	0.377	S	S	*	.	H	α-helix	trans	-70.8	-22.9	-178.9	-54.8	-174.7	0	0	0	111.9	H246 K247	H246-I249 VanDerWaalsContact O-CB 3.29Å; H246-I249 WeakPolarHBondContact O-CB 3.27Å; H246-I249 WeakPolarHBondContact O-CG1 3.43Å; H246-I249 PolarHBondContact O-N 3.13Å; K247-I249 PolarHBondContact O-N 3.03Å; K247-I249 VanDerWaalsContact O-N 3.1Å
250	H	64.5	Low	63.9	Low	71 Å²	71	73.6 Å²	73.6	33%	0.329	39%	0.394	S	S	.	.	H	α-helix	trans	-98.4	-36.9	178.7	-49.2	-57.7	0	0	0	112.2	C230 E232 C233 H246 K247 I248	C230-H250 PolarHBondContact SG-CD2 3.03Å; C230-H250 PolarHBondContact SG-NE2 2.87Å; C230-H250 VanDerWaalsContact SG-NE2 3.36Å; E232-H250 IonicContact OE2-CD2 2.74Å; C233-H250 PolarHBondContact SG-CE1 3.26Å; C233-H250 PolarHBondContact SG-NE2 3.17Å; H246-H250 AromaticContact CD2-NE2 3.76Å; H246-H250 AromaticContact CE1-CE1 3.82Å; H246-H250 AromaticContact CE1-NE2 3.44Å; H246-H250 PolarHBondContact CE1-NE2 3.3Å; H246-H250 AromaticContact NE2-CE1 3.76Å; H246-H250 AromaticContact NE2-NE2 3.07Å; H246-H250 PolarHBondContact NE2-NE2 2.82Å; K247-H250 PolarHBondContact O-N 2.91Å; I248-H250 VanDerWaalsContact C-N 3.26Å; I248-H250 PolarHBondContact O-N 2.69Å
251	T	62.3	Low	64.2	Low	75 Å²	75	72.4 Å²	72.4	46%	0.46	39%	0.385	S	S	.	.	H	α-helix	trans	-78.3	-26.4	176.7	62.1	0	0	0	0	113.1	K247 E253	K247-T251 PolarHBondContact O-N 3Å; K247-T251 VanDerWaalsContact O-N 3.08Å; K247-T251 PolarHBondContact O-OG1 3.12Å; T251-E253 PolarHBondContact O-N 2.86Å; T251-E253 PolarHBondContact OG1-N 2.72Å
252	G	57.5	Low	63.9	Low	65 Å²	65	75.4 Å²	75.4	67%	0.67	40%	0.396	S	S	*	.			trans	71.1	-3.4	-170.4	0	0	0	0	0	114.2	I248	I248-G252 WeakPolarHBondContact O-CA 3.44Å; I248-G252 PolarHBondContact O-N 2.9Å
253	E	58.8	Low	63.7	Low	131 Å²	131	76.9 Å²	76.9	61%	0.612	40%	0.401	S	S	*	.			trans	-90.7	106.7	-175.9	-63.8	-168.5	133.6	0	0	111.4	T251 P255	T251-E253 PolarHBondContact O-N 2.86Å; T251-E253 PolarHBondContact OG1-N 2.72Å; E253-P255 WeakPolarHBondContact O-CD 3.42Å
254	D	62.3	Low	63.3	Low	48 Å²	48	77.8 Å²	77.8	26%	0.257	41%	0.411	S	S	.	.			trans	-64.9	111.7	167.2	-92	-34.9	0	0	0	110.3	Y256 A264 N266	D254-Y256 VanDerWaalsContact C-N 3.29Å; D254-Y256 PolarHBondContact O-N 3.24Å; D254-A264 HydrophobicContact CB-CB 3.34Å; D254-N266 WeakPolarHBondContact OD1-CA 3.49Å; D254-N266 VanDerWaalsContact OD1-CB 3.23Å; D254-N266 WeakPolarHBondContact OD1-CB 3.21Å; D254-N266 PolarHBondContact OD1-N 2.86Å
255	P	61.3	Low	63.6	Low	74 Å²	74	76.7 Å²	76.7	48%	0.481	40%	0.401	S	S	.	.	S	Bend	trans	-75.3	-15.9	-168.6	-18.6	33.3	0	0	0	114.3	I248 E253	I248-P255 HydrophobicContact CD1-CG 3.77Å; I248-P255 HydrophobicContact CG1-CG 3.79Å; E253-P255 WeakPolarHBondContact O-CD 3.42Å
256	Y	64.1	Low	63.4	Low	83 Å²	83	77.5 Å²	77.5	33%	0.325	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	81	-173.8	-58.2	-70.2	0	0	0	109.8	D254 F265 Q267	D254-Y256 VanDerWaalsContact C-N 3.29Å; D254-Y256 PolarHBondContact O-N 3.24Å; Y256-F265 WeakPolarHBondContact CB-O 3.37Å; Y256-F265 WeakPolarHBondContact CD2-O 3.46Å; Y256-F265 PolarHBondContact N-O 3.32Å; Y256-F265 WeakPolarHBondContact O-CD2 3.33Å; Y256-F265 PolarHBondContact O-N 3.29Å; Y256-Q267 VanDerWaalsContact CD2-C 3.43Å
257	K	60.3	Low	63	Low	121 Å²	121	81 Å²	81	53%	0.526	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	151.8	178.1	-64.8	-178.6	-179	176.5	0	112.3	A264	K257-A264 HydrophobicContact CG-CB 3.86Å
258	H	66.4	Low	62.5	Low	4 Å²	4	80.6 Å²	80.6	2%	0.019	43%	0.426	C	S	.	.			trans	-101.8	98.5	175.3	-168.1	-67.4	0	0	0	110.3	E260 C261 D262 K263 L271 H274 K275 H278	H258-E260 IonicContact CE1-OE2 3.96Å; H258-E260 PolarHBondContact CE1-OE2 3.11Å; H258-E260 PolarHBondContact ND1-N 3.2Å; H258-E260 PolarHBondContact O-N 3.24Å; H258-C261 PolarHBondContact ND1-SG 3.11Å; H258-C261 VanDerWaalsContact ND1-SG 3.39Å; H258-C261 CarbonylContact O-C 3.52Å; H258-C261 PolarHBondContact O-N 3.14Å; H258-D262 PolarHBondContact O-N 3.01Å; H258-K263 WeakPolarHBondContact CB-O 3.43Å; H258-K263 PolarHBondContact N-O 2.87Å; H258-L271 HydrophobicContact CB-CD1 3.81Å; H258-H274 AromaticContact CD2-CD2 3.54Å; H258-H274 AromaticContact CG-CD2 3.88Å; H258-K275 VanDerWaalsContact CD2-CG 3.42Å; H258-K275 WeakPolarHBondContact CD2-CG 3.34Å; H258-K275 WeakPolarHBondContact NE2-CG 3.45Å; H258-H278 AromaticContact CE1-CG 3.4Å; H258-H278 VanDerWaalsContact CE1-CG 3.4Å; H258-H278 AromaticContact CE1-ND1 3.33Å; H258-H278 PolarHBondContact CE1-ND1 2.64Å; H258-H278 VanDerWaalsContact CE1-ND1 3.33Å; H258-H278 WeakPolarHBondContact NE2-CB 3.37Å; H258-H278 AromaticContact NE2-CG 3.75Å
259	E	60.2	Low	62	Low	168 Å²	168	82.8 Å²	82.8	79%	0.785	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-28	-171.3	-68.9	159.6	-165.1	0	0	115.1
260	E	62.4	Low	62.1	Low	127 Å²	127	79.1 Å²	79.1	59%	0.593	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.6	178.1	-48.9	176.8	153.7	0	0	115.1	H258 H278	H258-E260 IonicContact CE1-OE2 3.96Å; H258-E260 PolarHBondContact CE1-OE2 3.11Å; H258-E260 PolarHBondContact ND1-N 3.2Å; H258-E260 PolarHBondContact O-N 3.24Å; E260-H278 IonicContact OE2-CE1 3.82Å; E260-H278 IonicContact OE2-CG 3.51Å; E260-H278 IonicContact OE2-ND1 2.7Å; E260-H278 PolarHBondContact OE2-ND1 2.89Å
261	C	71.5	Confident	62.2	Low	33 Å²	33	76.6 Å²	76.6	22%	0.223	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-156.1	15.9	-177.1	67.8	0	0	0	0	116.2	H258 K263 H278	H258-C261 PolarHBondContact ND1-SG 3.11Å; H258-C261 VanDerWaalsContact ND1-SG 3.39Å; H258-C261 CarbonylContact O-C 3.52Å; H258-C261 PolarHBondContact O-N 3.14Å; C261-K263 PolarHBondContact O-N 2.84Å; C261-H278 WeakPolarHBondContact CB-NE2 3.3Å; C261-H278 VanDerWaalsContact SG-CD2 3.54Å
262	D	57.5	Low	62	Low	134 Å²	134	76.9 Å²	76.9	72%	0.717	42%	0.417	S	S	*	.			trans	53.1	5.5	177.6	-65.9	-54.6	0	0	0	117.6	H258 A264	H258-D262 PolarHBondContact O-N 3.01Å; D262-A264 PolarHBondContact O-N 3.14Å
263	K	65.5	Low	62	Low	116 Å²	116	77.4 Å²	77.4	50%	0.504	41%	0.407	S	S	.	.			trans	-67.4	121.3	176.8	-76.3	167.9	-174.1	158.7	0	110.1	H258 C261 F265 H274	H258-K263 WeakPolarHBondContact CB-O 3.43Å; H258-K263 PolarHBondContact N-O 2.87Å; C261-K263 PolarHBondContact O-N 2.84Å; K263-F265 HydrophobicContact CB-CE2 3.79Å; K263-F265 HydrophobicContact CB-CZ 4.04Å; K263-F265 WeakPolarHBondContact O-CD2 3.24Å; K263-F265 VanDerWaalsContact O-CE2 3.27Å; K263-F265 WeakPolarHBondContact O-CE2 3.47Å; K263-H274 WeakPolarHBondContact CD-NE2 3.48Å
264	A	62.7	Low	62.3	Low	35 Å²	35	72.5 Å²	72.5	29%	0.289	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	149.4	-177.1	0	0	0	0	0	111	D254 K257 D262	D254-A264 HydrophobicContact CB-CB 3.34Å; K257-A264 HydrophobicContact CG-CB 3.86Å; D262-A264 PolarHBondContact O-N 3.14Å
265	F	71.3	Confident	62.3	Low	43 Å²	43	74.2 Å²	74.2	19%	0.189	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.6	-176.3	-62.2	-88.1	0	0	0	112.3	Y256 K263 Q267 L271 H274	Y256-F265 WeakPolarHBondContact CB-O 3.37Å; Y256-F265 WeakPolarHBondContact CD2-O 3.46Å; Y256-F265 PolarHBondContact N-O 3.32Å; Y256-F265 WeakPolarHBondContact O-CD2 3.33Å; Y256-F265 PolarHBondContact O-N 3.29Å; K263-F265 HydrophobicContact CB-CE2 3.79Å; K263-F265 HydrophobicContact CB-CZ 4.04Å; K263-F265 WeakPolarHBondContact O-CD2 3.24Å; K263-F265 VanDerWaalsContact O-CE2 3.27Å; K263-F265 WeakPolarHBondContact O-CE2 3.47Å; F265-Q267 PolarHBondContact O-N 3.47Å; F265-L271 HydrophobicContact CB-CB 4.21Å; F265-L271 HydrophobicContact CD2-CB 4.07Å; F265-L271 HydrophobicContact CD2-CD1 3.77Å; F265-L271 HydrophobicContact CE2-CD1 4.1Å; F265-L271 HydrophobicContact CG-CB 4.28Å; F265-H274 HydrophobicContact CE1-CB 4.04Å; F265-H274 HydrophobicContact CE2-CB 3.78Å; F265-H274 AromaticContact CE2-CD2 3.37Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.39Å; F265-H274 AromaticContact CE2-CG 3.65Å; F265-H274 HydrophobicContact CZ-CB 3.48Å; F265-H274 VanDerWaalsContact CZ-CB 3.48Å; F265-H274 AromaticContact CZ-CD2 3.34Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.25Å; F265-H274 AromaticContact CZ-CG 3.24Å; F265-H274 AromaticContact CZ-ND1 3.83Å; F265-H274 AromaticContact CZ-NE2 3.96Å
266	N	58.1	Low	62.3	Low	71 Å²	71	76.2 Å²	76.2	38%	0.38	40%	0.395	S	S	.	.	S	Bend	trans	-76	-7.7	178.1	51.1	63.7	0	0	0	114.5	I248 D254	I248-N266 HydrophobicContact CD1-CB 3.96Å; I248-N266 WeakPolarHBondContact CD1-O 3.42Å; D254-N266 WeakPolarHBondContact OD1-CA 3.49Å; D254-N266 VanDerWaalsContact OD1-CB 3.23Å; D254-N266 WeakPolarHBondContact OD1-CB 3.21Å; D254-N266 PolarHBondContact OD1-N 2.86Å
267	Q	61.6	Low	62	Low	87 Å²	87	77.9 Å²	77.9	41%	0.407	41%	0.408	S	S	.	.	S	Bend	trans	-140.6	139.6	-177.8	-74	166.8	68.4	0	0	110.9	T245 Y256 F265 S269 T270 L271	T245-Q267 HydrophobicContact CG2-CG 4.11Å; Y256-Q267 VanDerWaalsContact CD2-C 3.43Å; F265-Q267 PolarHBondContact O-N 3.47Å; Q267-S269 VanDerWaalsContact C-N 3.26Å; Q267-S269 PolarHBondContact O-N 2.68Å; Q267-T270 HydrophobicContact CB-CG2 4.47Å; Q267-T270 PolarHBondContact O-N 2.93Å; Q267-T270 PolarHBondContact O-OG1 3.29Å; Q267-L271 PolarHBondContact O-N 3.43Å; Q267-L271 VanDerWaalsContact O-N 3.15Å
268	S	56.4	Low	61.9	Low	64 Å²	64	75.2 Å²	75.2	45%	0.448	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-35	175.9	54.9	0	0	0	0	112.3	T270 L271 T272	S268-T270 PolarHBondContact O-N 2.61Å; S268-L271 PolarHBondContact O-N 2.9Å; S268-T272 PolarHBondContact O-N 3.29Å; S268-T272 PolarHBondContact O-OG1 3.1Å
269	S	57	Low	61.2	Low	64 Å²	64	78.4 Å²	78.4	45%	0.448	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-37.6	176.8	51.8	0	0	0	0	113.3	Q267 T272 T273	Q267-S269 VanDerWaalsContact C-N 3.26Å; Q267-S269 PolarHBondContact O-N 2.68Å; S269-T272 PolarHBondContact O-N 2.91Å; S269-T273 PolarHBondContact O-N 3.46Å; S269-T273 VanDerWaalsContact O-N 3.07Å; S269-T273 PolarHBondContact O-OG1 3.16Å
270	T	63.1	Low	60.7	Low	47 Å²	47	82.1 Å²	82.1	29%	0.288	42%	0.424	S	S	.	.	H	α-helix	trans	-74.3	-38.8	176.5	49.9	0	0	0	0	111.1	Q267 S268 T272 T273 H274	Q267-T270 HydrophobicContact CB-CG2 4.47Å; Q267-T270 PolarHBondContact O-N 2.93Å; Q267-T270 PolarHBondContact O-OG1 3.29Å; S268-T270 PolarHBondContact O-N 2.61Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T270-T272 PolarHBondContact O-N 3.41Å; T270-T273 WeakPolarHBondContact CA-OG1 3.26Å; T270-T273 PolarHBondContact O-N 3.2Å; T270-T273 PolarHBondContact O-OG1 3.19Å; T270-H274 WeakPolarHBondContact O-CB 3.33Å; T270-H274 PolarHBondContact O-N 2.98Å
271	L	66.6	Low	59.8	Low	18 Å²	18	84.5 Å²	84.5	9%	0.094	44%	0.435	C	S	.	.	H	α-helix	trans	-58.5	-42.7	167.8	177.1	64.6	0	0	0	111.6	H258 F265 Q267 S268 T273 H274 K275	H258-L271 HydrophobicContact CB-CD1 3.81Å; F265-L271 HydrophobicContact CB-CB 4.21Å; F265-L271 HydrophobicContact CD2-CB 4.07Å; F265-L271 HydrophobicContact CD2-CD1 3.77Å; F265-L271 HydrophobicContact CE2-CD1 4.1Å; F265-L271 HydrophobicContact CG-CB 4.28Å; Q267-L271 PolarHBondContact O-N 3.43Å; Q267-L271 VanDerWaalsContact O-N 3.15Å; S268-L271 PolarHBondContact O-N 2.9Å; L271-T273 PolarHBondContact O-N 3.45Å; L271-H274 CarbonylContact O-C 3.05Å; L271-H274 PolarHBondContact O-N 2.93Å; L271-K275 HydrophobicContact CD1-CD 4.46Å; L271-K275 HydrophobicContact CD1-CG 4.1Å; L271-K275 HydrophobicContact CG-CD 4.36Å; L271-K275 HydrophobicContact CG-CG 4.32Å; L271-K275 PolarHBondContact O-N 3.08Å
272	T	58.3	Low	58.7	Low	81 Å²	81	93 Å²	93	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-46.4	176.3	-54.4	0	0	0	0	111.4	S268 S269 T270 H274 K275 I276	S268-T272 PolarHBondContact O-N 3.29Å; S268-T272 PolarHBondContact O-OG1 3.1Å; S269-T272 PolarHBondContact O-N 2.91Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T270-T272 PolarHBondContact O-N 3.41Å; T272-H274 PolarHBondContact O-N 2.9Å; T272-K275 PolarHBondContact O-N 3.15Å; T272-I276 HydrophobicContact CG2-CD1 4.12Å; T272-I276 WeakPolarHBondContact O-CD1 3.1Å; T272-I276 VanDerWaalsContact O-CG1 3.31Å; T272-I276 WeakPolarHBondContact O-CG1 3.5Å; T272-I276 PolarHBondContact O-N 2.88Å
273	T	56.2	Low	57.6	Low	76 Å²	76	94 Å²	94	47%	0.466	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-26.8	174.3	49.8	0	0	0	0	113.3	S269 T270 L271 I277	S269-T273 PolarHBondContact O-N 3.46Å; S269-T273 VanDerWaalsContact O-N 3.07Å; S269-T273 PolarHBondContact O-OG1 3.16Å; T270-T273 WeakPolarHBondContact CA-OG1 3.26Å; T270-T273 PolarHBondContact O-N 3.2Å; T270-T273 PolarHBondContact O-OG1 3.19Å; L271-T273 PolarHBondContact O-N 3.45Å; T273-I277 WeakPolarHBondContact O-CD1 3.44Å; T273-I277 VanDerWaalsContact O-CG1 3.29Å; T273-I277 WeakPolarHBondContact O-CG1 3.44Å; T273-I277 PolarHBondContact O-N 3.48Å
274	H	66.7	Low	56.6	Low	29 Å²	29	93.3 Å²	93.3	13%	0.134	48%	0.475	C	S	.	.	H	α-helix	trans	-76.7	-43	175.5	-168.5	57.8	0	0	0	112.6	H258 K263 F265 T270 L271 T272 I276 I277 H278	H258-H274 AromaticContact CD2-CD2 3.54Å; H258-H274 AromaticContact CG-CD2 3.88Å; K263-H274 WeakPolarHBondContact CD-NE2 3.48Å; F265-H274 HydrophobicContact CE1-CB 4.04Å; F265-H274 HydrophobicContact CE2-CB 3.78Å; F265-H274 AromaticContact CE2-CD2 3.37Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.39Å; F265-H274 AromaticContact CE2-CG 3.65Å; F265-H274 HydrophobicContact CZ-CB 3.48Å; F265-H274 VanDerWaalsContact CZ-CB 3.48Å; F265-H274 AromaticContact CZ-CD2 3.34Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.25Å; F265-H274 AromaticContact CZ-CG 3.24Å; F265-H274 AromaticContact CZ-ND1 3.83Å; F265-H274 AromaticContact CZ-NE2 3.96Å; T270-H274 WeakPolarHBondContact O-CB 3.33Å; T270-H274 PolarHBondContact O-N 2.98Å; L271-H274 CarbonylContact O-C 3.05Å; L271-H274 PolarHBondContact O-N 2.93Å; T272-H274 PolarHBondContact O-N 2.9Å; H274-I276 VanDerWaalsContact C-N 3.27Å; H274-I276 PolarHBondContact O-N 3.38Å; H274-I277 CarbonylContact O-C 3.54Å; H274-I277 WeakPolarHBondContact O-CA 3.45Å; H274-I277 WeakPolarHBondContact O-CB 3.15Å; H274-I277 PolarHBondContact O-N 2.96Å; H274-H278 PolarHBondContact O-N 3.38Å
275	K	60.8	Low	55.5	Low	83 Å²	83	97.7 Å²	97.7	36%	0.361	49%	0.489	S	S	.	.	H	α-helix	trans	-53.1	-46.5	173	-76.3	-168.9	170.9	-159	0	110.7	H258 L271 T272 I277 H278 T279	H258-K275 VanDerWaalsContact CD2-CG 3.42Å; H258-K275 WeakPolarHBondContact CD2-CG 3.34Å; H258-K275 WeakPolarHBondContact NE2-CG 3.45Å; L271-K275 HydrophobicContact CD1-CD 4.46Å; L271-K275 HydrophobicContact CD1-CG 4.1Å; L271-K275 HydrophobicContact CG-CD 4.36Å; L271-K275 HydrophobicContact CG-CG 4.32Å; L271-K275 PolarHBondContact O-N 3.08Å; T272-K275 PolarHBondContact O-N 3.15Å; K275-I277 PolarHBondContact O-N 2.81Å; K275-H278 PolarHBondContact O-N 3.3Å; K275-T279 PolarHBondContact O-N 2.84Å; K275-T279 PolarHBondContact O-OG1 3.43Å
276	I	61.2	Low	54.4	Low	117 Å²	117	100 Å²	100	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-61.4	-22.9	175.4	-66.4	165.4	0	0	0	113.7	T272 H274	T272-I276 HydrophobicContact CG2-CD1 4.12Å; T272-I276 WeakPolarHBondContact O-CD1 3.1Å; T272-I276 VanDerWaalsContact O-CG1 3.31Å; T272-I276 WeakPolarHBondContact O-CG1 3.5Å; T272-I276 PolarHBondContact O-N 2.88Å; H274-I276 VanDerWaalsContact C-N 3.27Å; H274-I276 PolarHBondContact O-N 3.38Å
277	I	59	Low	53.8	Low	118 Å²	118	102.8 Å²	102.8	61%	0.605	51%	0.506	S	S	*	.	H	α-helix	trans	-91.7	-26.9	175.7	-67.4	165.6	0	0	0	111.4	T273 H274 K275	T273-I277 WeakPolarHBondContact O-CD1 3.44Å; T273-I277 VanDerWaalsContact O-CG1 3.29Å; T273-I277 WeakPolarHBondContact O-CG1 3.44Å; T273-I277 PolarHBondContact O-N 3.48Å; H274-I277 CarbonylContact O-C 3.54Å; H274-I277 WeakPolarHBondContact O-CA 3.45Å; H274-I277 WeakPolarHBondContact O-CB 3.15Å; H274-I277 PolarHBondContact O-N 2.96Å; K275-I277 PolarHBondContact O-N 2.81Å
278	H	57.5	Low	52.9	Low	65 Å²	65	101.1 Å²	101.1	30%	0.301	50%	0.498	S	S	.	.	H	α-helix	trans	-83.6	-45.5	-177.5	-156.5	-95.6	0	0	0	112.7	H258 E260 C261 H274 K275 R280	H258-H278 AromaticContact CE1-CG 3.4Å; H258-H278 VanDerWaalsContact CE1-CG 3.4Å; H258-H278 AromaticContact CE1-ND1 3.33Å; H258-H278 PolarHBondContact CE1-ND1 2.64Å; H258-H278 VanDerWaalsContact CE1-ND1 3.33Å; H258-H278 WeakPolarHBondContact NE2-CB 3.37Å; H258-H278 AromaticContact NE2-CG 3.75Å; E260-H278 IonicContact OE2-CE1 3.82Å; E260-H278 IonicContact OE2-CG 3.51Å; E260-H278 IonicContact OE2-ND1 2.7Å; E260-H278 PolarHBondContact OE2-ND1 2.89Å; C261-H278 WeakPolarHBondContact CB-NE2 3.3Å; C261-H278 VanDerWaalsContact SG-CD2 3.54Å; H274-H278 PolarHBondContact O-N 3.38Å; K275-H278 PolarHBondContact O-N 3.3Å; H278-R280 PolarHBondContact O-N 2.85Å
279	T	51.2	Low	52.4	Low	70 Å²	70	106.5 Å²	106.5	43%	0.429	51%	0.51	S	S	.	.	S	Bend	trans	-65.7	98.1	174.7	55	0	0	0	0	109.1	K275 E281	K275-T279 PolarHBondContact O-N 2.84Å; K275-T279 PolarHBondContact O-OG1 3.43Å; T279-E281 PolarHBondContact O-N 3.14Å
280	R	49.9	Very low	52	Low	246 Å²	246	107.5 Å²	107.5	93%	0.928	53%	0.53	S	S	*	.			trans	-76	19.1	-168.7	-148.8	176.5	-173.1	177.8	1.8	114.4	H278	H278-R280 PolarHBondContact O-N 2.85Å
281	E	43.1	Very low	51.2	Low	177 Å²	177	111.2 Å²	111.2	83%	0.827	54%	0.542	S	S	*	.	S	Bend	trans	-79.6	135.4	172.1	-63.2	-160.9	124.4	0	0	110.7	T279 L283	T279-E281 PolarHBondContact O-N 3.14Å; E281-L283 PolarHBondContact O-N 2.91Å
282	K	49.8	Very low	50.4	Low	212 Å²	212	112.6 Å²	112.6	92%	0.922	56%	0.556	S	S	*	*			trans	-72.6	111.8	-177.3	-66.9	172.5	-178.9	169.1	0	110.6
283	L	34.5	Very low	50.5	Low	154 Å²	154	110.6 Å²	110.6	81%	0.806	54%	0.54	S	S	*	.			trans	-129.9	105.3	157.8	-147.5	78.7	0	0	0	112.7	E281 E285	E281-L283 PolarHBondContact O-N 2.91Å; L283-E285 PolarHBondContact O-N 3Å
284	N	43.1	Very low	50.3	Low	103 Å²	103	113.4 Å²	113.4	55%	0.551	55%	0.553	S	S	*	*			trans	51.2	60.9	159.2	-59.6	-22.6	0	0	0	116.6	Y286	N284-Y286 VanDerWaalsContact C-N 3.29Å; N284-Y286 HydrophobicContact CB-CD2 4.33Å; N284-Y286 HydrophobicContact CB-CE2 3.8Å; N284-Y286 WeakPolarHBondContact O-CD2 3.31Å; N284-Y286 PolarHBondContact O-N 3.38Å
285	E	39.8	Very low	49.9	Very low	126 Å²	126	116.6 Å²	116.6	59%	0.589	57%	0.568	S	S	*	*			trans	-59.8	95.3	148.9	-78	-171.4	98.9	0	0	109.1	L283 K287	L283-E285 PolarHBondContact O-N 3Å; E285-K287 VanDerWaalsContact C-N 3.32Å; E285-K287 HydrophobicContact CB-CD 4.3Å; E285-K287 HydrophobicContact CB-CG 4.35Å; E285-K287 VanDerWaalsContact CD-CE 3.46Å; E285-K287 PolarHBondContact O-N 3.3Å; E285-K287 WeakPolarHBondContact OE1-CE 3.27Å; E285-K287 IonicContact OE1-NZ 3.53Å; E285-K287 PolarHBondContact OE1-NZ 3.25Å; E285-K287 WeakPolarHBondContact OE2-CE 3.22Å; E285-K287 IonicContact OE2-NZ 3.41Å; E285-K287 PolarHBondContact OE2-NZ 3.3Å
286	Y	48.3	Very low	49.6	Very low	91 Å²	91	115.7 Å²	115.7	36%	0.357	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.5	93.4	172.6	-63.7	-86	0	0	0	109.5	N284 F293 P296 L299	N284-Y286 VanDerWaalsContact C-N 3.29Å; N284-Y286 HydrophobicContact CB-CD2 4.33Å; N284-Y286 HydrophobicContact CB-CE2 3.8Å; N284-Y286 WeakPolarHBondContact O-CD2 3.31Å; N284-Y286 PolarHBondContact O-N 3.38Å; Y286-F293 PolarHBondContact O-N 3.2Å; Y286-P296 HydrophobicContact CE2-CB 4.34Å; Y286-P296 HydrophobicContact CE2-CG 3.84Å; Y286-L299 HydrophobicContact CD1-CD2 3.6Å; Y286-L299 HydrophobicContact CG-CD2 3.8Å
287	K	45	Very low	49.5	Very low	131 Å²	131	113.4 Å²	113.4	57%	0.57	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.4	125.4	179	-81.2	167.5	169.4	160.6	0	110.4	E285 K291 A292	E285-K287 VanDerWaalsContact C-N 3.32Å; E285-K287 HydrophobicContact CB-CD 4.3Å; E285-K287 HydrophobicContact CB-CG 4.35Å; E285-K287 VanDerWaalsContact CD-CE 3.46Å; E285-K287 PolarHBondContact O-N 3.3Å; E285-K287 WeakPolarHBondContact OE1-CE 3.27Å; E285-K287 IonicContact OE1-NZ 3.53Å; E285-K287 PolarHBondContact OE1-NZ 3.25Å; E285-K287 WeakPolarHBondContact OE2-CE 3.22Å; E285-K287 IonicContact OE2-NZ 3.41Å; E285-K287 PolarHBondContact OE2-NZ 3.3Å; K287-K291 WeakPolarHBondContact CA-O 3.28Å; K287-A292 HydrophobicContact CG-CB 4.21Å
288	E	43.4	Very low	49.7	Very low	51 Å²	51	111.4 Å²	111.4	24%	0.238	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.6	136.8	169.9	-157.7	176	-123.8	0	0	108.8	G290 K291 L299 K303	E288-G290 PolarHBondContact O-N 3.29Å; E288-G290 VanDerWaalsContact O-N 3.14Å; E288-K291 PolarHBondContact N-O 2.85Å; E288-K291 PolarHBondContact O-N 3.27Å; E288-K291 VanDerWaalsContact O-N 3.11Å; E288-L299 HydrophobicContact CB-CD1 4.28Å; E288-K303 VanDerWaalsContact CD-NZ 3.32Å; E288-K303 IonicContact OE1-NZ 2.67Å; E288-K303 PolarHBondContact OE1-NZ 2.9Å; E288-K303 WeakPolarHBondContact OE2-CG 3.24Å; E288-K303 IonicContact OE2-NZ 2.68Å; E288-K303 PolarHBondContact OE2-NZ 2.98Å
289	Y	45.3	Very low	49.9	Very low	178 Å²	178	109 Å²	109	70%	0.698	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	45.9	-175.3	-58.6	-72.8	0	0	0	114.5	K291 H306	Y289-K291 VanDerWaalsContact C-N 3.3Å; Y289-K291 PolarHBondContact O-N 2.92Å; Y289-H306 AromaticContact CD2-CD2 3.71Å; Y289-H306 AromaticContact CD2-NE2 3.6Å
290	G	49.7	Very low	50.5	Low	84 Å²	84	109.3 Å²	109.3	87%	0.866	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	9.1	174.4	0	0	0	0	0	116	E288	E288-G290 PolarHBondContact O-N 3.29Å; E288-G290 VanDerWaalsContact O-N 3.14Å
291	K	46.3	Very low	51.1	Low	126 Å²	126	102.7 Å²	102.7	55%	0.548	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.8	177.7	-68.7	176.6	-177.4	172.7	0	111	K287 E288 Y289 F293	K287-K291 WeakPolarHBondContact CA-O 3.28Å; E288-K291 PolarHBondContact N-O 2.85Å; E288-K291 PolarHBondContact O-N 3.27Å; E288-K291 VanDerWaalsContact O-N 3.11Å; Y289-K291 VanDerWaalsContact C-N 3.3Å; Y289-K291 PolarHBondContact O-N 2.92Å; K291-F293 HydrophobicContact CB-CE2 3.66Å; K291-F293 HydrophobicContact CB-CZ 3.78Å; K291-F293 WeakPolarHBondContact O-CE2 3.25Å
292	A	50.2	Low	52.2	Low	46 Å²	46	95.4 Å²	95.4	38%	0.38	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	144.4	172.7	0	0	0	0	0	110.4	K287	K287-A292 HydrophobicContact CG-CB 4.21Å
293	F	59.9	Low	52.8	Low	39 Å²	39	89.1 Å²	89.1	17%	0.171	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.3	-179.5	-65.2	-83	0	0	0	111.6	Y286 K291 Q295 H298 L299 H302	Y286-F293 PolarHBondContact O-N 3.2Å; K291-F293 HydrophobicContact CB-CE2 3.66Å; K291-F293 HydrophobicContact CB-CZ 3.78Å; K291-F293 WeakPolarHBondContact O-CE2 3.25Å; F293-Q295 PolarHBondContact O-N 3.06Å; F293-H298 HydrophobicContact CB-CB 4.44Å; F293-H298 HydrophobicContact CD1-CB 4.02Å; F293-L299 HydrophobicContact CB-CB 4.19Å; F293-L299 HydrophobicContact CD2-CB 4.41Å; F293-L299 HydrophobicContact CD2-CD1 3.73Å; F293-L299 HydrophobicContact CE2-CD1 4.28Å; F293-L299 HydrophobicContact CG-CB 4.38Å; F293-L299 HydrophobicContact CG-CD1 4.5Å; F293-H302 HydrophobicContact CE1-CB 4.02Å; F293-H302 HydrophobicContact CE2-CB 4.07Å; F293-H302 AromaticContact CE2-CD2 3.37Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.49Å; F293-H302 AromaticContact CE2-CG 3.86Å; F293-H302 HydrophobicContact CZ-CB 3.63Å; F293-H302 AromaticContact CZ-CD2 3.25Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.5Å; F293-H302 AromaticContact CZ-CG 3.36Å; F293-H302 AromaticContact CZ-NE2 3.87Å
294	N	52.8	Low	54.2	Low	135 Å²	135	83.4 Å²	83.4	72%	0.722	43%	0.428	S	S	*	.	S	Bend	trans	-69.9	10.1	-178.2	-47.8	35.5	0	0	0	114.1
295	Q	57.7	Low	55	Low	97 Å²	97	83.1 Å²	83.1	45%	0.453	43%	0.425	S	S	.	.	S	Bend	trans	-153.6	130.6	-179.6	-77.3	-59.1	-60.2	0	0	110.2	F293 S297 H298 L299	F293-Q295 PolarHBondContact O-N 3.06Å; Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 2.83Å; Q295-H298 HydrophobicContact CB-CB 4.14Å; Q295-H298 WeakPolarHBondContact O-CB 3.47Å; Q295-H298 PolarHBondContact O-N 3.33Å; Q295-L299 PolarHBondContact O-N 3.46Å
296	P	54.8	Low	55.7	Low	63 Å²	63	81.7 Å²	81.7	41%	0.409	42%	0.418	S	S	.	.	H	α-helix	trans	-57.2	-40.7	177.6	-24.5	32.5	0	0	0	113	Y286 H298 L299 T300	Y286-P296 HydrophobicContact CE2-CB 4.34Å; Y286-P296 HydrophobicContact CE2-CG 3.84Å; P296-H298 PolarHBondContact O-N 3.27Å; P296-H298 VanDerWaalsContact O-N 3.16Å; P296-L299 WeakPolarHBondContact O-CB 3.01Å; P296-L299 PolarHBondContact O-N 3.28Å; P296-L299 VanDerWaalsContact O-N 3.07Å; P296-T300 PolarHBondContact O-N 3.14Å; P296-T300 PolarHBondContact O-OG1 3.06Å; P296-T300 VanDerWaalsContact O-OG1 3.13Å
297	S	59.6	Low	56.1	Low	70 Å²	70	81.5 Å²	81.5	49%	0.49	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-25.1	177.3	63.5	0	0	0	0	113.5	Q295 R301	Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 2.83Å; S297-R301 VanDerWaalsContact O-CB 3.29Å; S297-R301 WeakPolarHBondContact O-CB 3.32Å; S297-R301 PolarHBondContact O-N 2.73Å
298	H	62.1	Low	56.7	Low	75 Å²	75	77.2 Å²	77.2	35%	0.347	42%	0.42	S	S	.	.	H	α-helix	trans	-81.3	-36.4	175.1	-71.1	-171.5	0	0	0	111.9	F293 Q295 P296 R301 H302	F293-H298 HydrophobicContact CB-CB 4.44Å; F293-H298 HydrophobicContact CD1-CB 4.02Å; Q295-H298 HydrophobicContact CB-CB 4.14Å; Q295-H298 WeakPolarHBondContact O-CB 3.47Å; Q295-H298 PolarHBondContact O-N 3.33Å; P296-H298 PolarHBondContact O-N 3.27Å; P296-H298 VanDerWaalsContact O-N 3.16Å; H298-R301 PolarHBondContact CD2-NH1 3.36Å; H298-R301 VanDerWaalsContact CD2-NH1 3.29Å; H298-R301 PolarHBondContact CD2-NH2 2.83Å; H298-R301 VanDerWaalsContact CG-NH2 3.35Å; H298-R301 PolarHBondContact NE2-NH1 3.32Å; H298-R301 PolarHBondContact NE2-NH2 2.97Å; H298-H302 PolarHBondContact O-N 3.13Å
299	L	61.6	Low	57.6	Low	14 Å²	14	80.5 Å²	80.5	7%	0.073	44%	0.435	C	S	.	.	H	α-helix	trans	-62.5	-50.7	168.9	-178.9	81.1	0	0	0	111.1	Y286 E288 F293 Q295 P296 R301 H302 K303	Y286-L299 HydrophobicContact CD1-CD2 3.6Å; Y286-L299 HydrophobicContact CG-CD2 3.8Å; E288-L299 HydrophobicContact CB-CD1 4.28Å; F293-L299 HydrophobicContact CB-CB 4.19Å; F293-L299 HydrophobicContact CD2-CB 4.41Å; F293-L299 HydrophobicContact CD2-CD1 3.73Å; F293-L299 HydrophobicContact CE2-CD1 4.28Å; F293-L299 HydrophobicContact CG-CB 4.38Å; F293-L299 HydrophobicContact CG-CD1 4.5Å; Q295-L299 PolarHBondContact O-N 3.46Å; P296-L299 WeakPolarHBondContact O-CB 3.01Å; P296-L299 PolarHBondContact O-N 3.28Å; P296-L299 VanDerWaalsContact O-N 3.07Å; L299-R301 VanDerWaalsContact C-N 3.26Å; L299-R301 PolarHBondContact O-N 3.21Å; L299-H302 CarbonylContact O-C 3.55Å; L299-H302 WeakPolarHBondContact O-CA 3.05Å; L299-H302 WeakPolarHBondContact O-CB 3.43Å; L299-H302 PolarHBondContact O-N 3.38Å; L299-K303 HydrophobicContact CD2-CD 4.11Å; L299-K303 VanDerWaalsContact CD2-CE 3.45Å; L299-K303 HydrophobicContact CG-CD 4.07Å; L299-K303 HydrophobicContact CG-CG 4.44Å; L299-K303 PolarHBondContact O-N 3.14Å
300	T	63.8	Low	58.5	Low	78 Å²	78	78 Å²	78	48%	0.479	43%	0.427	S	S	.	.	H	α-helix	trans	-57.1	-43.7	179.6	-50.9	0	0	0	0	110.6	P296 H302 K303 I304	P296-T300 PolarHBondContact O-N 3.14Å; P296-T300 PolarHBondContact O-OG1 3.06Å; P296-T300 VanDerWaalsContact O-OG1 3.13Å; T300-H302 PolarHBondContact O-N 3.35Å; T300-K303 PolarHBondContact O-N 2.88Å; T300-I304 HydrophobicContact CG2-CD1 4.18Å; T300-I304 WeakPolarHBondContact O-CD1 3.32Å; T300-I304 VanDerWaalsContact O-CG1 3.22Å; T300-I304 WeakPolarHBondContact O-CG1 3.39Å; T300-I304 PolarHBondContact O-N 3.14Å; T300-I304 VanDerWaalsContact O-N 3.09Å
301	R	62.5	Low	59.5	Low	106 Å²	106	77.5 Å²	77.5	40%	0.4	42%	0.415	S	S	.	.	H	α-helix	trans	-63.5	-24.8	173.3	-171.2	176.1	68	-143.9	-3.2	113.5	S297 H298 L299 I305	S297-R301 VanDerWaalsContact O-CB 3.29Å; S297-R301 WeakPolarHBondContact O-CB 3.32Å; S297-R301 PolarHBondContact O-N 2.73Å; H298-R301 PolarHBondContact CD2-NH1 3.36Å; H298-R301 VanDerWaalsContact CD2-NH1 3.29Å; H298-R301 PolarHBondContact CD2-NH2 2.83Å; H298-R301 VanDerWaalsContact CG-NH2 3.35Å; H298-R301 PolarHBondContact NE2-NH1 3.32Å; H298-R301 PolarHBondContact NE2-NH2 2.97Å; L299-R301 VanDerWaalsContact C-N 3.26Å; L299-R301 PolarHBondContact O-N 3.21Å; R301-I305 WeakPolarHBondContact O-CG1 3.38Å
302	H	66.8	Low	60.8	Low	24 Å²	24	76 Å²	76	11%	0.111	41%	0.407	C	S	.	.	H	α-helix	trans	-81.8	-44.4	174.1	-169.3	49.8	0	0	0	112.6	F293 H298 L299 T300 I304 I305 H306	F293-H302 HydrophobicContact CE1-CB 4.02Å; F293-H302 HydrophobicContact CE2-CB 4.07Å; F293-H302 AromaticContact CE2-CD2 3.37Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.49Å; F293-H302 AromaticContact CE2-CG 3.86Å; F293-H302 HydrophobicContact CZ-CB 3.63Å; F293-H302 AromaticContact CZ-CD2 3.25Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.5Å; F293-H302 AromaticContact CZ-CG 3.36Å; F293-H302 AromaticContact CZ-NE2 3.87Å; H298-H302 PolarHBondContact O-N 3.13Å; L299-H302 CarbonylContact O-C 3.55Å; L299-H302 WeakPolarHBondContact O-CA 3.05Å; L299-H302 WeakPolarHBondContact O-CB 3.43Å; L299-H302 PolarHBondContact O-N 3.38Å; T300-H302 PolarHBondContact O-N 3.35Å; H302-I304 PolarHBondContact O-N 2.84Å; H302-I305 WeakPolarHBondContact O-CA 3.44Å; H302-I305 VanDerWaalsContact O-CB 3.3Å; H302-I305 WeakPolarHBondContact O-CB 3.42Å; H302-I305 PolarHBondContact O-N 2.67Å; H302-H306 AromaticContact CD2-NE2 3.61Å; H302-H306 AromaticContact CE1-CE1 3.84Å; H302-H306 AromaticContact CE1-NE2 3.28Å; H302-H306 PolarHBondContact CE1-NE2 3.13Å; H302-H306 VanDerWaalsContact CE1-NE2 3.28Å; H302-H306 AromaticContact NE2-CD2 3.82Å; H302-H306 AromaticContact NE2-CE1 3.85Å; H302-H306 AromaticContact NE2-NE2 2.96Å; H302-H306 PolarHBondContact NE2-NE2 3.2Å; H302-H306 PolarHBondContact O-N 3.18Å
303	K	61.5	Low	62	Low	80 Å²	80	80.1 Å²	80.1	35%	0.348	42%	0.416	S	S	.	.	H	α-helix	trans	-53.8	-40.7	172.9	-79.5	170.5	176.9	-74.9	0	112.1	E288 L299 T300 I305 H306 T307	E288-K303 VanDerWaalsContact CD-NZ 3.32Å; E288-K303 IonicContact OE1-NZ 2.67Å; E288-K303 PolarHBondContact OE1-NZ 2.9Å; E288-K303 WeakPolarHBondContact OE2-CG 3.24Å; E288-K303 IonicContact OE2-NZ 2.68Å; E288-K303 PolarHBondContact OE2-NZ 2.98Å; L299-K303 HydrophobicContact CD2-CD 4.11Å; L299-K303 VanDerWaalsContact CD2-CE 3.45Å; L299-K303 HydrophobicContact CG-CD 4.07Å; L299-K303 HydrophobicContact CG-CG 4.44Å; L299-K303 PolarHBondContact O-N 3.14Å; T300-K303 PolarHBondContact O-N 2.88Å; K303-I305 PolarHBondContact O-N 2.99Å; K303-H306 PolarHBondContact O-N 3.43Å; K303-T307 WeakPolarHBondContact O-CB 3.38Å; K303-T307 WeakPolarHBondContact O-CG2 3.29Å; K303-T307 PolarHBondContact O-N 3.24Å; K303-T307 PolarHBondContact O-OG1 3.26Å
304	I	63.6	Low	63	Low	35 Å²	35	78.3 Å²	78.3	18%	0.179	41%	0.408	C	S	.	.	H	α-helix	trans	-62.6	-22.5	174.9	-68.5	167.4	0	0	0	112.7	T300 H302 T307 G308 E309 N322	T300-I304 HydrophobicContact CG2-CD1 4.18Å; T300-I304 WeakPolarHBondContact O-CD1 3.32Å; T300-I304 VanDerWaalsContact O-CG1 3.22Å; T300-I304 WeakPolarHBondContact O-CG1 3.39Å; T300-I304 PolarHBondContact O-N 3.14Å; T300-I304 VanDerWaalsContact O-N 3.09Å; H302-I304 PolarHBondContact O-N 2.84Å; I304-T307 WeakPolarHBondContact CA-OG1 3.35Å; I304-G308 PolarHBondContact O-N 2.68Å; I304-E309 HydrophobicContact CG2-CB 4.45Å; I304-E309 VanDerWaalsContact CG2-O 3.26Å; I304-E309 WeakPolarHBondContact CG2-O 3.36Å; I304-N322 HydrophobicContact CG2-CB 3.68Å
305	I	59.5	Low	64.2	Low	97 Å²	97	79.2 Å²	79.2	50%	0.497	41%	0.408	S	S	.	.	H	α-helix	trans	-78.1	-39.4	175.2	-61.3	168.1	0	0	0	111.1	R301 H302 K303	R301-I305 WeakPolarHBondContact O-CG1 3.38Å; H302-I305 WeakPolarHBondContact O-CA 3.44Å; H302-I305 VanDerWaalsContact O-CB 3.3Å; H302-I305 WeakPolarHBondContact O-CB 3.42Å; H302-I305 PolarHBondContact O-N 2.67Å; K303-I305 PolarHBondContact O-N 2.99Å
306	H	54.7	Low	65.1	Low	96 Å²	96	79.6 Å²	79.6	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-78	-43.1	-179.7	-64	-53.6	0	0	0	112.9	Y289 H302 K303 G308	Y289-H306 AromaticContact CD2-CD2 3.71Å; Y289-H306 AromaticContact CD2-NE2 3.6Å; H302-H306 AromaticContact CD2-NE2 3.61Å; H302-H306 AromaticContact CE1-CE1 3.84Å; H302-H306 AromaticContact CE1-NE2 3.28Å; H302-H306 PolarHBondContact CE1-NE2 3.13Å; H302-H306 VanDerWaalsContact CE1-NE2 3.28Å; H302-H306 AromaticContact NE2-CD2 3.82Å; H302-H306 AromaticContact NE2-CE1 3.85Å; H302-H306 AromaticContact NE2-NE2 2.96Å; H302-H306 PolarHBondContact NE2-NE2 3.2Å; H302-H306 PolarHBondContact O-N 3.18Å; K303-H306 PolarHBondContact O-N 3.43Å; H306-G308 PolarHBondContact O-N 2.78Å
307	T	58.3	Low	66.1	Low	87 Å²	87	79 Å²	79	53%	0.534	41%	0.407	S	S	.	.	S	Bend	trans	-69	-16.9	175.4	54.6	0	0	0	0	113.3	K303 I304 E309	K303-T307 WeakPolarHBondContact O-CB 3.38Å; K303-T307 WeakPolarHBondContact O-CG2 3.29Å; K303-T307 PolarHBondContact O-N 3.24Å; K303-T307 PolarHBondContact O-OG1 3.26Å; I304-T307 WeakPolarHBondContact CA-OG1 3.35Å; T307-E309 PolarHBondContact O-N 3.05Å
308	G	57.4	Low	66.8	Low	41 Å²	41	78.6 Å²	78.6	42%	0.423	41%	0.413	S	S	.	.			trans	71.4	7	-178.9	0	0	0	0	0	114.6	I304 H306 K310	I304-G308 PolarHBondContact O-N 2.68Å; H306-G308 PolarHBondContact O-N 2.78Å; G308-K310 PolarHBondContact O-N 3.23Å
309	E	60.9	Low	67.5	Low	119 Å²	119	81 Å²	81	56%	0.556	42%	0.423	S	S	*	.			trans	-59.9	131.9	-178.1	-73.9	-177.4	-178.7	0	0	112.2	I304 T307	I304-E309 HydrophobicContact CG2-CB 4.45Å; I304-E309 VanDerWaalsContact CG2-O 3.26Å; I304-E309 WeakPolarHBondContact CG2-O 3.36Å; T307-E309 PolarHBondContact O-N 3.05Å
310	K	65.7	Low	68.2	Low	125 Å²	125	81.8 Å²	81.8	54%	0.543	43%	0.432	S	S	.	.			trans	-123.2	67.8	-178	-69.2	160.4	-172.1	164.7	0	109.9	G308 Y312 A320 F321	G308-K310 PolarHBondContact O-N 3.23Å; K310-Y312 PolarHBondContact O-N 3.1Å; K310-Y312 VanDerWaalsContact O-N 3.13Å; K310-A320 HydrophobicContact CB-CB 3.44Å; K310-A320 VanDerWaalsContact CB-CB 3.44Å; K310-A320 HydrophobicContact CD-CB 4.17Å; K310-A320 HydrophobicContact CG-CB 4.32Å; K310-F321 CarbonylContact C-O 3.48Å; K310-F321 WeakPolarHBondContact CA-O 3.36Å
311	A	70.1	Confident	68.9	Low	74 Å²	74	80.3 Å²	80.3	61%	0.612	42%	0.419	S	S	*	.			trans	-55.7	-27.7	-176.8	0	0	0	0	0	114.1	F321	A311-F321 PolarHBondContact N-O 3.28Å
312	Y	74	Confident	69.5	Low	96 Å²	96	77.7 Å²	77.7	38%	0.376	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	89.1	-174	-57.5	-78.2	0	0	0	111.3	K310 A320 F321 Q323	K310-Y312 PolarHBondContact O-N 3.1Å; K310-Y312 VanDerWaalsContact O-N 3.13Å; Y312-A320 WeakPolarHBondContact O-CA 3.49Å; Y312-F321 WeakPolarHBondContact CB-O 3.44Å; Y312-F321 PolarHBondContact N-O 2.87Å; Y312-F321 PolarHBondContact O-N 3.24Å; Y312-Q323 VanDerWaalsContact CD2-C 3.4Å
313	K	74.4	Confident	69.9	Low	132 Å²	132	79.1 Å²	79.1	57%	0.574	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	154.3	178.2	-63.4	-176.9	-178	176	0	112.6	A320 L327	K313-A320 HydrophobicContact CG-CB 3.89Å; K313-L327 WeakPolarHBondContact O-CD1 3.29Å; K313-L327 WeakPolarHBondContact O-CD2 3.41Å
314	C	82.2	Confident	70.5	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	42%	0.423	C	S	.	.			trans	-112.8	102.4	173.4	179.7	0	0	0	0	109.4	E316 C317 G318 K319 F321 L327 H330 H334	C314-E316 PolarHBondContact O-N 2.91Å; C314-E316 VanDerWaalsContact O-N 3.14Å; C314-C317 PolarHBondContact O-N 3.23Å; C314-C317 VanDerWaalsContact O-N 3.1Å; C314-G318 WeakPolarHBondContact O-CA 3.43Å; C314-G318 PolarHBondContact O-N 3.07Å; C314-K319 WeakPolarHBondContact CB-O 3.2Å; C314-K319 PolarHBondContact N-O 2.96Å; C314-F321 HydrophobicContact CB-CE2 4.47Å; C314-L327 HydrophobicContact CB-CD1 3.56Å; C314-H330 VanDerWaalsContact SG-CD2 3.59Å; C314-H334 PolarHBondContact SG-NE2 3.13Å; C314-H334 VanDerWaalsContact SG-NE2 3.4Å
315	E	77.5	Confident	71.2	Confident	154 Å²	154	79.5 Å²	79.5	72%	0.72	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.5	-177.8	-46.2	-40.3	111.8	0	0	113	C317	E315-C317 VanDerWaalsContact C-N 3.27Å; E315-C317 PolarHBondContact O-N 3.22Å
316	E	75.8	Confident	72.3	Confident	105 Å²	105	77.3 Å²	77.3	49%	0.491	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.4	-177.6	-62.6	157.2	-102.7	0	0	114.4	C314 H334	C314-E316 PolarHBondContact O-N 2.91Å; C314-E316 VanDerWaalsContact O-N 3.14Å; E316-H334 IonicContact OE1-CD2 3.32Å; E316-H334 WeakPolarHBondContact OE2-CB 3.49Å; E316-H334 IonicContact OE2-CD2 3.19Å; E316-H334 PolarHBondContact OE2-CD2 2.88Å; E316-H334 VanDerWaalsContact OE2-CD2 3.27Å; E316-H334 IonicContact OE2-CG 3.55Å
317	C	76.4	Confident	73.5	Confident	51 Å²	51	73.8 Å²	73.8	35%	0.345	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	15.6	178.5	70.8	0	0	0	0	116	C314 E315 K319 H330 H334	C314-C317 PolarHBondContact O-N 3.23Å; C314-C317 VanDerWaalsContact O-N 3.1Å; E315-C317 VanDerWaalsContact C-N 3.27Å; E315-C317 PolarHBondContact O-N 3.22Å; C317-K319 PolarHBondContact O-N 2.86Å; C317-H330 PolarHBondContact SG-NE2 2.93Å; C317-H334 PolarHBondContact SG-NE2 3.23Å
318	G	74.6	Confident	74.5	Confident	61 Å²	61	74 Å²	74	63%	0.629	41%	0.409	S	S	*	.			trans	66.8	-6.4	-178.9	0	0	0	0	0	116.3	C314 A320	C314-G318 WeakPolarHBondContact O-CA 3.43Å; C314-G318 PolarHBondContact O-N 3.07Å; G318-A320 PolarHBondContact O-N 2.79Å
319	K	75.8	Confident	75.7	Confident	125 Å²	125	77.4 Å²	77.4	54%	0.543	41%	0.409	S	S	.	.			trans	-70.3	127.9	-173.7	-71.2	177.3	-176.4	170.1	0	111.5	C314 C317 F321	C314-K319 WeakPolarHBondContact CB-O 3.2Å; C314-K319 PolarHBondContact N-O 2.96Å; C317-K319 PolarHBondContact O-N 2.86Å; K319-F321 HydrophobicContact CB-CE2 4.01Å; K319-F321 HydrophobicContact CB-CZ 4.14Å; K319-F321 WeakPolarHBondContact O-CE2 3.47Å
320	A	77.3	Confident	76.7	Confident	32 Å²	32	72.6 Å²	72.6	26%	0.264	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.6	-172	0	0	0	0	0	111.9	K310 Y312 K313 G318	K310-A320 HydrophobicContact CB-CB 3.44Å; K310-A320 VanDerWaalsContact CB-CB 3.44Å; K310-A320 HydrophobicContact CD-CB 4.17Å; K310-A320 HydrophobicContact CG-CB 4.32Å; Y312-A320 WeakPolarHBondContact O-CA 3.49Å; K313-A320 HydrophobicContact CG-CB 3.89Å; G318-A320 PolarHBondContact O-N 2.79Å
321	F	78.8	Confident	77.4	Confident	47 Å²	47	70.6 Å²	70.6	21%	0.206	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153.4	-171.6	-58.5	-89.4	0	0	0	111.8	K310 A311 Y312 C314 K319 H326 L327 H330	K310-F321 CarbonylContact C-O 3.48Å; K310-F321 WeakPolarHBondContact CA-O 3.36Å; A311-F321 PolarHBondContact N-O 3.28Å; Y312-F321 WeakPolarHBondContact CB-O 3.44Å; Y312-F321 PolarHBondContact N-O 2.87Å; Y312-F321 PolarHBondContact O-N 3.24Å; C314-F321 HydrophobicContact CB-CE2 4.47Å; K319-F321 HydrophobicContact CB-CE2 4.01Å; K319-F321 HydrophobicContact CB-CZ 4.14Å; K319-F321 WeakPolarHBondContact O-CE2 3.47Å; F321-H326 HydrophobicContact CB-CB 4.1Å; F321-H326 HydrophobicContact CD1-CB 3.91Å; F321-H326 HydrophobicContact CG-CB 4.22Å; F321-L327 HydrophobicContact CD2-CB 4.06Å; F321-L327 HydrophobicContact CD2-CD1 4Å; F321-L327 HydrophobicContact CE2-CD1 4.19Å; F321-L327 HydrophobicContact CG-CB 4.49Å; F321-H330 HydrophobicContact CE1-CB 4.18Å; F321-H330 HydrophobicContact CE2-CB 3.84Å; F321-H330 AromaticContact CE2-CD2 3.33Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.34Å; F321-H330 AromaticContact CE2-CG 3.62Å; F321-H330 HydrophobicContact CZ-CB 3.54Å; F321-H330 AromaticContact CZ-CD2 3.46Å; F321-H330 VanDerWaalsContact CZ-CD2 3.46Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.3Å; F321-H330 AromaticContact CZ-CG 3.31Å; F321-H330 AromaticContact CZ-ND1 3.88Å
322	N	73.5	Confident	78	Confident	50 Å²	50	68.4 Å²	68.4	27%	0.267	36%	0.355	S	S	.	.	S	Bend	trans	-83.8	-5.3	175.3	58.4	-2.7	0	0	0	114.2	I304 H326	I304-N322 HydrophobicContact CG2-CB 3.68Å; N322-H326 PolarHBondContact OD1-ND1 3.4Å
323	Q	74.9	Confident	78.4	Confident	54 Å²	54	67.9 Å²	67.9	25%	0.252	36%	0.358	S	S	.	.			trans	-143.9	139.2	-179.9	-58.6	-179.1	26.2	0	0	111	Y312 S325 H326 L327	Y312-Q323 VanDerWaalsContact CD2-C 3.4Å; Q323-S325 VanDerWaalsContact C-N 3.3Å; Q323-S325 PolarHBondContact O-N 3.07Å; Q323-S325 PolarHBondContact OE1-OG 2.88Å; Q323-H326 HydrophobicContact CB-CB 4.24Å; Q323-H326 WeakPolarHBondContact O-CB 3.1Å; Q323-H326 PolarHBondContact O-N 3.37Å; Q323-H326 VanDerWaalsContact O-N 3.08Å; Q323-L327 PolarHBondContact O-N 3.35Å; Q323-L327 VanDerWaalsContact O-N 3.16Å
324	S	75.1	Confident	78.5	Confident	62 Å²	62	65 Å²	65	43%	0.434	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-40.2	174.3	53.2	0	0	0	0	112.2	H326 L327 T328	S324-H326 PolarHBondContact O-N 3.31Å; S324-L327 PolarHBondContact O-N 3.32Å; S324-L327 VanDerWaalsContact O-N 3.15Å; S324-T328 PolarHBondContact O-N 2.55Å; S324-T328 PolarHBondContact O-OG1 3.4Å
325	S	79.1	Confident	78.3	Confident	61 Å²	61	68.8 Å²	68.8	43%	0.427	37%	0.37	S	S	.	.	H	α-helix	trans	-55.8	-36.9	173.7	60.7	0	0	0	0	113	Q323 R329	Q323-S325 VanDerWaalsContact C-N 3.3Å; Q323-S325 PolarHBondContact O-N 3.07Å; Q323-S325 PolarHBondContact OE1-OG 2.88Å; S325-R329 VanDerWaalsContact O-CB 3.3Å; S325-R329 WeakPolarHBondContact O-CB 3.31Å; S325-R329 PolarHBondContact O-N 3.29Å
326	H	81.1	Confident	78.3	Confident	51 Å²	51	63.3 Å²	63.3	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-73.4	-40.3	177.3	-68	172.8	0	0	0	111.8	F321 N322 Q323 S324 R329 H330	F321-H326 HydrophobicContact CB-CB 4.1Å; F321-H326 HydrophobicContact CD1-CB 3.91Å; F321-H326 HydrophobicContact CG-CB 4.22Å; N322-H326 PolarHBondContact OD1-ND1 3.4Å; Q323-H326 HydrophobicContact CB-CB 4.24Å; Q323-H326 WeakPolarHBondContact O-CB 3.1Å; Q323-H326 PolarHBondContact O-N 3.37Å; Q323-H326 VanDerWaalsContact O-N 3.08Å; S324-H326 PolarHBondContact O-N 3.31Å; H326-R329 PolarHBondContact CD2-NH2 2.48Å; H326-R329 PolarHBondContact NE2-NH2 2.95Å; H326-H330 VanDerWaalsContact O-CB 3.29Å; H326-H330 WeakPolarHBondContact O-CB 3.38Å; H326-H330 PolarHBondContact O-N 3.42Å
327	L	80.2	Confident	78.5	Confident	23 Å²	23	63.5 Å²	63.5	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-47.4	172.3	174.1	61.9	0	0	0	111.8	K313 C314 F321 Q323 S324 R329 H330 K331	K313-L327 WeakPolarHBondContact O-CD1 3.29Å; K313-L327 WeakPolarHBondContact O-CD2 3.41Å; C314-L327 HydrophobicContact CB-CD1 3.56Å; F321-L327 HydrophobicContact CD2-CB 4.06Å; F321-L327 HydrophobicContact CD2-CD1 4Å; F321-L327 HydrophobicContact CE2-CD1 4.19Å; F321-L327 HydrophobicContact CG-CB 4.49Å; Q323-L327 PolarHBondContact O-N 3.35Å; Q323-L327 VanDerWaalsContact O-N 3.16Å; S324-L327 PolarHBondContact O-N 3.32Å; S324-L327 VanDerWaalsContact O-N 3.15Å; L327-R329 PolarHBondContact O-N 3.47Å; L327-H330 CarbonylContact O-C 3.59Å; L327-H330 WeakPolarHBondContact O-CA 3.28Å; L327-H330 WeakPolarHBondContact O-CB 3.49Å; L327-H330 PolarHBondContact O-N 3.41Å; L327-K331 HydrophobicContact CD1-CG 4.37Å; L327-K331 PolarHBondContact O-N 3.46Å
328	T	80	Confident	78.9	Confident	92 Å²	92	66.6 Å²	66.6	56%	0.564	36%	0.363	S	S	*	.	H	α-helix	trans	-60.2	-45.3	178	-58.2	0	0	0	0	111.2	S324 H330 K331	S324-T328 PolarHBondContact O-N 2.55Å; S324-T328 PolarHBondContact O-OG1 3.4Å; T328-H330 PolarHBondContact O-N 3.32Å; T328-K331 PolarHBondContact O-N 3.38Å
329	R	81.8	Confident	79.3	Confident	112 Å²	112	67.1 Å²	67.1	42%	0.423	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-25.5	173.5	-174.5	175	65.1	-165.7	-6.8	112.9	S325 H326 L327 Q351	S325-R329 VanDerWaalsContact O-CB 3.3Å; S325-R329 WeakPolarHBondContact O-CB 3.31Å; S325-R329 PolarHBondContact O-N 3.29Å; H326-R329 PolarHBondContact CD2-NH2 2.48Å; H326-R329 PolarHBondContact NE2-NH2 2.95Å; L327-R329 PolarHBondContact O-N 3.47Å; R329-Q351 HydrophobicContact CG-CG 4.43Å
330	H	83.2	Confident	79.8	Confident	17 Å²	17	65.7 Å²	65.7	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-78.8	-38.1	175.5	174.6	58	0	0	0	112.8	C314 C317 F321 H326 L327 T328 I332 I333 H334	C314-H330 VanDerWaalsContact SG-CD2 3.59Å; C317-H330 PolarHBondContact SG-NE2 2.93Å; F321-H330 HydrophobicContact CE1-CB 4.18Å; F321-H330 HydrophobicContact CE2-CB 3.84Å; F321-H330 AromaticContact CE2-CD2 3.33Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.34Å; F321-H330 AromaticContact CE2-CG 3.62Å; F321-H330 HydrophobicContact CZ-CB 3.54Å; F321-H330 AromaticContact CZ-CD2 3.46Å; F321-H330 VanDerWaalsContact CZ-CD2 3.46Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.3Å; F321-H330 AromaticContact CZ-CG 3.31Å; F321-H330 AromaticContact CZ-ND1 3.88Å; H326-H330 VanDerWaalsContact O-CB 3.29Å; H326-H330 WeakPolarHBondContact O-CB 3.38Å; H326-H330 PolarHBondContact O-N 3.42Å; L327-H330 CarbonylContact O-C 3.59Å; L327-H330 WeakPolarHBondContact O-CA 3.28Å; L327-H330 WeakPolarHBondContact O-CB 3.49Å; L327-H330 PolarHBondContact O-N 3.41Å; T328-H330 PolarHBondContact O-N 3.32Å; H330-I332 PolarHBondContact O-N 3.03Å; H330-I333 WeakPolarHBondContact O-CA 3.24Å; H330-I333 WeakPolarHBondContact O-CB 3.48Å; H330-I333 WeakPolarHBondContact O-CG1 3.32Å; H330-I333 PolarHBondContact O-N 2.91Å; H330-H334 AromaticContact CE1-NE2 3.8Å; H330-H334 AromaticContact NE2-NE2 3.39Å; H330-H334 PolarHBondContact NE2-NE2 2.9Å
331	K	79.1	Confident	80.1	Confident	83 Å²	83	70.5 Å²	70.5	36%	0.361	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-30.5	177.5	-69.5	-165.4	174.3	-158	0	113.5	L327 T328 I333 H334 T335	L327-K331 HydrophobicContact CD1-CG 4.37Å; L327-K331 PolarHBondContact O-N 3.46Å; T328-K331 PolarHBondContact O-N 3.38Å; K331-I333 PolarHBondContact O-N 3.24Å; K331-H334 PolarHBondContact O-N 3.4Å; K331-T335 PolarHBondContact O-N 3.32Å; K331-T335 VanDerWaalsContact O-N 3.14Å
332	I	84.3	Confident	80.6	Confident	29 Å²	29	68.2 Å²	68.2	15%	0.149	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.5	170.2	-59.5	173.7	0	0	0	112.6	H330 E337 R350	H330-I332 PolarHBondContact O-N 3.03Å; I332-E337 HydrophobicContact CG2-CB 4.19Å; I332-E337 VanDerWaalsContact CG2-O 3.25Å; I332-E337 WeakPolarHBondContact CG2-O 3.17Å; I332-R350 HydrophobicContact CG2-CB 4Å; I332-R350 HydrophobicContact CG2-CG 3.87Å; I332-R350 VanDerWaalsContact O-CZ 3.31Å; I332-R350 PolarHBondContact O-NE 3.42Å; I332-R350 PolarHBondContact O-NH2 3.12Å; I332-R350 VanDerWaalsContact O-NH2 3.16Å
333	I	81.9	Confident	81.1	Confident	85 Å²	85	73.2 Å²	73.2	44%	0.436	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-38.7	173	-61	-173.3	0	0	0	111.8	H330 K331 R350	H330-I333 WeakPolarHBondContact O-CA 3.24Å; H330-I333 WeakPolarHBondContact O-CB 3.48Å; H330-I333 WeakPolarHBondContact O-CG1 3.32Å; H330-I333 PolarHBondContact O-N 2.91Å; K331-I333 PolarHBondContact O-N 3.24Å; I333-R350 PolarHBondContact O-NH2 3.45Å
334	H	76.8	Confident	81.5	Confident	72 Å²	72	75.5 Å²	75.5	33%	0.333	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-43.8	-175.6	-52.5	-49.1	0	0	0	112	C314 E316 C317 H330 K331 G336	C314-H334 PolarHBondContact SG-NE2 3.13Å; C314-H334 VanDerWaalsContact SG-NE2 3.4Å; E316-H334 IonicContact OE1-CD2 3.32Å; E316-H334 WeakPolarHBondContact OE2-CB 3.49Å; E316-H334 IonicContact OE2-CD2 3.19Å; E316-H334 PolarHBondContact OE2-CD2 2.88Å; E316-H334 VanDerWaalsContact OE2-CD2 3.27Å; E316-H334 IonicContact OE2-CG 3.55Å; C317-H334 PolarHBondContact SG-NE2 3.23Å; H330-H334 AromaticContact CE1-NE2 3.8Å; H330-H334 AromaticContact NE2-NE2 3.39Å; H330-H334 PolarHBondContact NE2-NE2 2.9Å; K331-H334 PolarHBondContact O-N 3.4Å; H334-G336 PolarHBondContact O-N 3.15Å
335	T	78.1	Confident	81.8	Confident	79 Å²	79	75 Å²	75	49%	0.485	38%	0.381	S	S	.	.	S	Bend	trans	-65.1	-6.6	176.6	64.1	0	0	0	0	113.9	K331 E337	K331-T335 PolarHBondContact O-N 3.32Å; K331-T335 VanDerWaalsContact O-N 3.14Å; T335-E337 PolarHBondContact O-N 3.16Å; T335-E337 WeakPolarHBondContact OG1-CG 3.42Å
336	G	77.3	Confident	81.9	Confident	39 Å²	39	75 Å²	75	40%	0.402	39%	0.39	S	S	.	.			trans	74.7	-17.3	-179	0	0	0	0	0	114.6	H334	H334-G336 PolarHBondContact O-N 3.15Å
337	E	79.3	Confident	82	Confident	108 Å²	108	78.4 Å²	78.4	51%	0.505	40%	0.404	S	S	.	.			trans	-50.6	147.1	-172.2	-74.9	178.1	-174.2	0	0	114.1	I332 T335 R350	I332-E337 HydrophobicContact CG2-CB 4.19Å; I332-E337 VanDerWaalsContact CG2-O 3.25Å; I332-E337 WeakPolarHBondContact CG2-O 3.17Å; T335-E337 PolarHBondContact O-N 3.16Å; T335-E337 WeakPolarHBondContact OG1-CG 3.42Å; E337-R350 WeakPolarHBondContact O-CG 3.37Å
338	K	84.7	Confident	82.3	Confident	116 Å²	116	79 Å²	79	50%	0.504	41%	0.412	S	S	.	.			trans	-139.8	75.9	178	-69.2	163.4	-175.8	171.8	0	109.1	Y340 A348 F349 R350	K338-Y340 PolarHBondContact O-N 3.5Å; K338-Y340 VanDerWaalsContact O-N 3.14Å; K338-A348 HydrophobicContact CB-CB 3.48Å; K338-A348 VanDerWaalsContact CB-CB 3.48Å; K338-A348 HydrophobicContact CD-CB 4.07Å; K338-A348 WeakPolarHBondContact CD-O 3.32Å; K338-A348 HydrophobicContact CG-CB 4.35Å; K338-F349 CarbonylContact C-O 3.58Å; K338-F349 WeakPolarHBondContact CA-O 3.43Å; K338-R350 HydrophobicContact CG-CG 4.21Å
339	P	84.1	Confident	82.6	Confident	73 Å²	73	76.9 Å²	76.9	47%	0.474	40%	0.395	S	S	.	.			trans	-63.9	-21	-169.7	-24.3	35.6	0	0	0	114.8
340	Y	86.3	Confident	82.7	Confident	95 Å²	95	75.6 Å²	75.6	37%	0.373	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	93.8	-172	-55.8	-79.2	0	0	0	110.4	K338 A348 F349	K338-Y340 PolarHBondContact O-N 3.5Å; K338-Y340 VanDerWaalsContact O-N 3.14Å; Y340-A348 CarbonylContact O-C 3.54Å; Y340-A348 WeakPolarHBondContact O-CA 3.27Å; Y340-F349 PolarHBondContact N-O 3.42Å; Y340-F349 VanDerWaalsContact N-O 3.12Å; Y340-F349 PolarHBondContact O-N 3.43Å
341	K	83.3	Confident	82.7	Confident	132 Å²	132	77.4 Å²	77.4	57%	0.574	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	151.9	179	-64	-179.7	-177.7	175.1	0	111.9	A348 L355	K341-A348 HydrophobicContact CG-CB 4.01Å; K341-L355 WeakPolarHBondContact O-CD1 3.31Å; K341-L355 WeakPolarHBondContact O-CD2 3.43Å
342	C	88.6	Confident	82.9	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.402	C	S	.	.			trans	-105.1	108.9	171	172.8	0	0	0	0	108.5	E344 C345 G346 K347 F349 L355 H362	C342-E344 PolarHBondContact O-N 2.93Å; C342-E344 PolarHBondContact SG-OE2 2.95Å; C342-C345 PolarHBondContact O-N 2.89Å; C342-G346 VanDerWaalsContact O-CA 3.31Å; C342-G346 WeakPolarHBondContact O-CA 3.4Å; C342-G346 PolarHBondContact O-N 2.95Å; C342-K347 VanDerWaalsContact CB-O 3.29Å; C342-K347 WeakPolarHBondContact CB-O 3.47Å; C342-K347 PolarHBondContact N-O 3.18Å; C342-F349 HydrophobicContact CB-CE2 4.45Å; C342-L355 HydrophobicContact CB-CD1 3.55Å; C342-H362 PolarHBondContact SG-NE2 3.35Å; C342-H362 VanDerWaalsContact SG-NE2 3.37Å
343	E	84.8	Confident	82.8	Confident	155 Å²	155	77.7 Å²	77.7	72%	0.724	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.1	-177.6	-48.6	-42.9	119.7	0	0	112.8	C345	E343-C345 VanDerWaalsContact C-N 3.33Å; E343-C345 PolarHBondContact O-N 3Å
344	E	82.6	Confident	83	Confident	101 Å²	101	77.5 Å²	77.5	47%	0.472	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.6	-177.2	-61.7	146	132.1	0	0	113.8	C342 H362	C342-E344 PolarHBondContact O-N 2.93Å; C342-E344 PolarHBondContact SG-OE2 2.95Å; E344-H362 IonicContact OE2-CD2 3.84Å; E344-H362 PolarHBondContact OE2-CD2 3.07Å
345	C	81.4	Confident	83.4	Confident	52 Å²	52	75.3 Å²	75.3	35%	0.351	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	12.3	-178	72.7	0	0	0	0	115.7	C342 E343 K347 H358 H362	C342-C345 PolarHBondContact O-N 2.89Å; E343-C345 VanDerWaalsContact C-N 3.33Å; E343-C345 PolarHBondContact O-N 3Å; C345-K347 PolarHBondContact O-N 2.95Å; C345-H358 PolarHBondContact SG-NE2 3.23Å; C345-H362 VanDerWaalsContact SG-CE1 3.56Å; C345-H362 PolarHBondContact SG-NE2 3.31Å
346	G	81.4	Confident	83.7	Confident	60 Å²	60	75.8 Å²	75.8	62%	0.619	41%	0.405	S	S	*	.			trans	67.8	-5.9	-179.5	0	0	0	0	0	116.3	C342 A348	C342-G346 VanDerWaalsContact O-CA 3.31Å; C342-G346 WeakPolarHBondContact O-CA 3.4Å; C342-G346 PolarHBondContact O-N 2.95Å; G346-A348 PolarHBondContact O-N 3.42Å
347	K	83.2	Confident	83.9	Confident	123 Å²	123	75.7 Å²	75.7	54%	0.535	40%	0.396	S	S	.	.			trans	-67.1	128	-175.5	-72	175.7	-175.3	164	0	111.3	C342 C345 F349	C342-K347 VanDerWaalsContact CB-O 3.29Å; C342-K347 WeakPolarHBondContact CB-O 3.47Å; C342-K347 PolarHBondContact N-O 3.18Å; C345-K347 PolarHBondContact O-N 2.95Å; K347-F349 HydrophobicContact CB-CE2 3.86Å; K347-F349 HydrophobicContact CB-CZ 4.08Å; K347-F349 VanDerWaalsContact O-CE2 3.3Å; K347-F349 WeakPolarHBondContact O-CE2 3.38Å
348	A	86.9	Confident	84.2	Confident	35 Å²	35	71.3 Å²	71.3	29%	0.289	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.7	-174.9	0	0	0	0	0	112.2	K338 Y340 K341 G346	K338-A348 HydrophobicContact CB-CB 3.48Å; K338-A348 VanDerWaalsContact CB-CB 3.48Å; K338-A348 HydrophobicContact CD-CB 4.07Å; K338-A348 WeakPolarHBondContact CD-O 3.32Å; K338-A348 HydrophobicContact CG-CB 4.35Å; Y340-A348 CarbonylContact O-C 3.54Å; Y340-A348 WeakPolarHBondContact O-CA 3.27Å; K341-A348 HydrophobicContact CG-CB 4.01Å; G346-A348 PolarHBondContact O-N 3.42Å
349	F	86.1	Confident	84	Confident	48 Å²	48	69.9 Å²	69.9	21%	0.211	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.7	-172.5	-60.9	-91	0	0	0	112.3	K338 Y340 C342 K347 Q351 H354 L355 H358	K338-F349 CarbonylContact C-O 3.58Å; K338-F349 WeakPolarHBondContact CA-O 3.43Å; Y340-F349 PolarHBondContact N-O 3.42Å; Y340-F349 VanDerWaalsContact N-O 3.12Å; Y340-F349 PolarHBondContact O-N 3.43Å; C342-F349 HydrophobicContact CB-CE2 4.45Å; K347-F349 HydrophobicContact CB-CE2 3.86Å; K347-F349 HydrophobicContact CB-CZ 4.08Å; K347-F349 VanDerWaalsContact O-CE2 3.3Å; K347-F349 WeakPolarHBondContact O-CE2 3.38Å; F349-Q351 VanDerWaalsContact C-N 3.35Å; F349-H354 HydrophobicContact CB-CB 4.2Å; F349-H354 HydrophobicContact CD1-CB 3.91Å; F349-H354 HydrophobicContact CG-CB 4.32Å; F349-L355 HydrophobicContact CB-CB 4.41Å; F349-L355 HydrophobicContact CD2-CB 4.08Å; F349-L355 HydrophobicContact CD2-CD1 4.03Å; F349-L355 HydrophobicContact CE2-CD1 4.26Å; F349-L355 HydrophobicContact CG-CB 4.4Å; F349-H358 HydrophobicContact CE1-CB 4.14Å; F349-H358 HydrophobicContact CE2-CB 3.95Å; F349-H358 AromaticContact CE2-CD2 3.26Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.45Å; F349-H358 AromaticContact CE2-CG 3.73Å; F349-H358 HydrophobicContact CZ-CB 3.59Å; F349-H358 AromaticContact CZ-CD2 3.29Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.47Å; F349-H358 AromaticContact CZ-CG 3.34Å; F349-H358 AromaticContact CZ-NE2 3.99Å
350	R	83.5	Confident	83.9	Confident	86 Å²	86	67.9 Å²	67.9	33%	0.325	35%	0.354	S	S	.	.	S	Bend	trans	-80.6	-10.8	177.3	-66.6	-172.4	160.9	160.2	-11	114.4	I332 I333 E337 K338	I332-R350 HydrophobicContact CG2-CB 4Å; I332-R350 HydrophobicContact CG2-CG 3.87Å; I332-R350 VanDerWaalsContact O-CZ 3.31Å; I332-R350 PolarHBondContact O-NE 3.42Å; I332-R350 PolarHBondContact O-NH2 3.12Å; I332-R350 VanDerWaalsContact O-NH2 3.16Å; I333-R350 PolarHBondContact O-NH2 3.45Å; E337-R350 WeakPolarHBondContact O-CG 3.37Å; K338-R350 HydrophobicContact CG-CG 4.21Å
351	Q	83.7	Confident	83.7	Confident	54 Å²	54	68.7 Å²	68.7	25%	0.252	36%	0.364	S	S	.	.	S	Bend	trans	-145	142.1	-177.8	-57.1	-172.6	34.1	0	0	110.2	R329 F349 S353 H354 L355	R329-Q351 HydrophobicContact CG-CG 4.43Å; F349-Q351 VanDerWaalsContact C-N 3.35Å; Q351-S353 VanDerWaalsContact C-N 3.34Å; Q351-S353 PolarHBondContact O-N 3.46Å; Q351-H354 HydrophobicContact CB-CB 4.45Å; Q351-H354 WeakPolarHBondContact O-CB 3.34Å; Q351-H354 PolarHBondContact O-N 3.01Å; Q351-L355 PolarHBondContact O-N 2.81Å
352	S	83.3	Confident	83.4	Confident	63 Å²	63	66 Å²	66	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-44	175.9	48.5	0	0	0	0	112.1	H354 L355 T356	S352-H354 PolarHBondContact O-N 3.21Å; S352-L355 WeakPolarHBondContact O-CA 3.49Å; S352-L355 WeakPolarHBondContact O-CB 3.48Å; S352-L355 PolarHBondContact O-N 3.21Å; S352-T356 PolarHBondContact O-N 3.09Å; S352-T356 PolarHBondContact O-OG1 3.32Å
353	S	82.4	Confident	83	Confident	56 Å²	56	69.5 Å²	69.5	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-53.4	-38.5	175.5	56.1	0	0	0	0	113	Q351 T357	Q351-S353 VanDerWaalsContact C-N 3.34Å; Q351-S353 PolarHBondContact O-N 3.46Å; S353-T357 WeakPolarHBondContact O-CG2 3.45Å; S353-T357 PolarHBondContact O-N 3.34Å; S353-T357 PolarHBondContact O-OG1 2.86Å
354	H	84.6	Confident	82.5	Confident	81 Å²	81	64.2 Å²	64.2	38%	0.375	36%	0.362	S	S	.	.	H	α-helix	trans	-69.9	-42.4	177.5	-66	179.4	0	0	0	111.3	F349 Q351 S352 T357 H358	F349-H354 HydrophobicContact CB-CB 4.2Å; F349-H354 HydrophobicContact CD1-CB 3.91Å; F349-H354 HydrophobicContact CG-CB 4.32Å; Q351-H354 HydrophobicContact CB-CB 4.45Å; Q351-H354 WeakPolarHBondContact O-CB 3.34Å; Q351-H354 PolarHBondContact O-N 3.01Å; S352-H354 PolarHBondContact O-N 3.21Å; H354-T357 CarbonylContact O-C 3.19Å; H354-T357 PolarHBondContact O-N 2.92Å; H354-T357 PolarHBondContact O-OG1 3.2Å; H354-H358 WeakPolarHBondContact O-CB 3.41Å; H354-H358 PolarHBondContact O-N 2.96Å
355	L	86.2	Confident	82.3	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-60.2	-46.3	172.8	172.2	63.4	0	0	0	111.7	K341 C342 F349 Q351 S352 T357 H358 K359	K341-L355 WeakPolarHBondContact O-CD1 3.31Å; K341-L355 WeakPolarHBondContact O-CD2 3.43Å; C342-L355 HydrophobicContact CB-CD1 3.55Å; F349-L355 HydrophobicContact CB-CB 4.41Å; F349-L355 HydrophobicContact CD2-CB 4.08Å; F349-L355 HydrophobicContact CD2-CD1 4.03Å; F349-L355 HydrophobicContact CE2-CD1 4.26Å; F349-L355 HydrophobicContact CG-CB 4.4Å; Q351-L355 PolarHBondContact O-N 2.81Å; S352-L355 WeakPolarHBondContact O-CA 3.49Å; S352-L355 WeakPolarHBondContact O-CB 3.48Å; S352-L355 PolarHBondContact O-N 3.21Å; L355-T357 VanDerWaalsContact C-N 3.32Å; L355-T357 PolarHBondContact O-N 3Å; L355-H358 CarbonylContact O-C 3.52Å; L355-H358 WeakPolarHBondContact O-CA 3.47Å; L355-H358 WeakPolarHBondContact O-CB 3.42Å; L355-H358 PolarHBondContact O-N 2.79Å; L355-K359 HydrophobicContact CD1-CG 4.36Å; L355-K359 PolarHBondContact O-N 3.23Å
356	T	83.2	Confident	82.4	Confident	90 Å²	90	67.9 Å²	67.9	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-57.9	-45.2	175.5	-52.7	0	0	0	0	111.1	S352 H358 K359	S352-T356 PolarHBondContact O-N 3.09Å; S352-T356 PolarHBondContact O-OG1 3.32Å; T356-H358 PolarHBondContact O-N 3.48Å; T356-K359 PolarHBondContact O-N 3.45Å
357	T	82.2	Confident	82.4	Confident	37 Å²	37	69 Å²	69	23%	0.227	37%	0.368	C	S	.	.	H	α-helix	trans	-71.4	-11.9	176.2	62.6	0	0	0	0	114.4	S353 H354 L355 M360 K379	S353-T357 WeakPolarHBondContact O-CG2 3.45Å; S353-T357 PolarHBondContact O-N 3.34Å; S353-T357 PolarHBondContact O-OG1 2.86Å; H354-T357 CarbonylContact O-C 3.19Å; H354-T357 PolarHBondContact O-N 2.92Å; H354-T357 PolarHBondContact O-OG1 3.2Å; L355-T357 VanDerWaalsContact C-N 3.32Å; L355-T357 PolarHBondContact O-N 3Å; T357-M360 HydrophobicContact CG2-CE 4.05Å; T357-K379 HydrophobicContact CG2-CG 4.49Å
358	H	84.9	Confident	82.5	Confident	16 Å²	16	67.8 Å²	67.8	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-89	-37.4	173.2	177.9	45.3	0	0	0	112.5	C345 F349 H354 L355 T356 M360 I361 H362	C345-H358 PolarHBondContact SG-NE2 3.23Å; F349-H358 HydrophobicContact CE1-CB 4.14Å; F349-H358 HydrophobicContact CE2-CB 3.95Å; F349-H358 AromaticContact CE2-CD2 3.26Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.45Å; F349-H358 AromaticContact CE2-CG 3.73Å; F349-H358 HydrophobicContact CZ-CB 3.59Å; F349-H358 AromaticContact CZ-CD2 3.29Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.47Å; F349-H358 AromaticContact CZ-CG 3.34Å; F349-H358 AromaticContact CZ-NE2 3.99Å; H354-H358 WeakPolarHBondContact O-CB 3.41Å; H354-H358 PolarHBondContact O-N 2.96Å; L355-H358 CarbonylContact O-C 3.52Å; L355-H358 WeakPolarHBondContact O-CA 3.47Å; L355-H358 WeakPolarHBondContact O-CB 3.42Å; L355-H358 PolarHBondContact O-N 2.79Å; T356-H358 PolarHBondContact O-N 3.48Å; H358-M360 PolarHBondContact O-N 2.61Å; H358-I361 VanDerWaalsContact O-CB 3.24Å; H358-I361 WeakPolarHBondContact O-CB 3.5Å; H358-I361 WeakPolarHBondContact O-CG1 3.32Å; H358-I361 PolarHBondContact O-N 2.74Å; H358-H362 AromaticContact CE1-CE1 3.97Å; H358-H362 AromaticContact CE1-NE2 3.54Å; H358-H362 AromaticContact NE2-NE2 3.28Å; H358-H362 PolarHBondContact NE2-NE2 3.46Å
359	K	81.8	Confident	82.4	Confident	86 Å²	86	72.4 Å²	72.4	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-57.6	-34.8	176	-73.1	-161.8	167.9	-158.3	0	112.8	L355 T356 I361 H362 T363	L355-K359 HydrophobicContact CD1-CG 4.36Å; L355-K359 PolarHBondContact O-N 3.23Å; T356-K359 PolarHBondContact O-N 3.45Å; K359-I361 PolarHBondContact O-N 2.88Å; K359-H362 PolarHBondContact O-N 3.14Å; K359-T363 PolarHBondContact O-N 3.25Å; K359-T363 PolarHBondContact O-OG1 3.1Å
360	M	82.4	Confident	82.5	Confident	31 Å²	31	70.2 Å²	70.2	15%	0.153	37%	0.365	C	S	.	.	H	α-helix	trans	-57.6	-10.3	170.1	-75.2	-170	-80.8	0	0	115.2	T357 H358 T363 G364 E365 P367 N378	T357-M360 HydrophobicContact CG2-CE 4.05Å; H358-M360 PolarHBondContact O-N 2.61Å; M360-T363 WeakPolarHBondContact CA-OG1 3.43Å; M360-G364 CarbonylContact O-C 3.3Å; M360-G364 PolarHBondContact O-N 2.99Å; M360-E365 WeakPolarHBondContact CB-O 3.37Å; M360-E365 HydrophobicContact CG-CB 4.18Å; M360-E365 PolarHBondContact O-N 3.36Å; M360-P367 VanDerWaalsContact SD-CD 3.57Å; M360-P367 HydrophobicContact SD-CG 3.91Å; M360-N378 HydrophobicContact CB-CB 4.38Å; M360-N378 HydrophobicContact CE-CB 4.21Å; M360-N378 WeakPolarHBondContact CE-O 3.48Å; M360-N378 HydrophobicContact SD-CB 4.15Å
361	I	80.2	Confident	82.6	Confident	112 Å²	112	73.1 Å²	73.1	57%	0.574	38%	0.382	S	S	*	.	H	α-helix	trans	-82.9	-31.4	170.8	-55.6	-175.4	0	0	0	111.1	H358 K359	H358-I361 VanDerWaalsContact O-CB 3.24Å; H358-I361 WeakPolarHBondContact O-CB 3.5Å; H358-I361 WeakPolarHBondContact O-CG1 3.32Å; H358-I361 PolarHBondContact O-N 2.74Å; K359-I361 PolarHBondContact O-N 2.88Å
362	H	78.9	Confident	82.5	Confident	75 Å²	75	75.9 Å²	75.9	35%	0.347	40%	0.395	S	S	.	.	H	α-helix	trans	-86.5	-43.2	-179.9	-56.1	-53.7	0	0	0	111.8	C342 E344 C345 H358 K359 G364	C342-H362 PolarHBondContact SG-NE2 3.35Å; C342-H362 VanDerWaalsContact SG-NE2 3.37Å; E344-H362 IonicContact OE2-CD2 3.84Å; E344-H362 PolarHBondContact OE2-CD2 3.07Å; C345-H362 VanDerWaalsContact SG-CE1 3.56Å; C345-H362 PolarHBondContact SG-NE2 3.31Å; H358-H362 AromaticContact CE1-CE1 3.97Å; H358-H362 AromaticContact CE1-NE2 3.54Å; H358-H362 AromaticContact NE2-NE2 3.28Å; H358-H362 PolarHBondContact NE2-NE2 3.46Å; K359-H362 PolarHBondContact O-N 3.14Å; H362-G364 PolarHBondContact O-N 3.23Å
363	T	78.3	Confident	82.6	Confident	73 Å²	73	75.2 Å²	75.2	45%	0.448	39%	0.39	S	S	.	.	S	Bend	trans	-72.8	-13.7	173.7	60.9	0	0	0	0	112.9	K359 M360 E365	K359-T363 PolarHBondContact O-N 3.25Å; K359-T363 PolarHBondContact O-OG1 3.1Å; M360-T363 WeakPolarHBondContact CA-OG1 3.43Å; T363-E365 VanDerWaalsContact CB-OE2 3.26Å; T363-E365 WeakPolarHBondContact CB-OE2 3.25Å; T363-E365 PolarHBondContact O-N 2.99Å; T363-E365 VanDerWaalsContact O-N 3.12Å; T363-E365 WeakPolarHBondContact OG1-CB 3.19Å; T363-E365 VanDerWaalsContact OG1-CD 3.3Å; T363-E365 WeakPolarHBondContact OG1-CG 3.41Å; T363-E365 PolarHBondContact OG1-N 3.38Å; T363-E365 PolarHBondContact OG1-OE2 2.85Å
364	G	76.3	Confident	82.6	Confident	44 Å²	44	75.4 Å²	75.4	45%	0.454	40%	0.401	S	S	.	.			trans	69.7	-1.8	-174.3	0	0	0	0	0	114.7	M360 H362 K366	M360-G364 CarbonylContact O-C 3.3Å; M360-G364 PolarHBondContact O-N 2.99Å; H362-G364 PolarHBondContact O-N 3.23Å; G364-K366 PolarHBondContact O-N 2.89Å
365	E	77.8	Confident	82.5	Confident	109 Å²	109	77.3 Å²	77.3	51%	0.509	41%	0.408	S	S	.	.			trans	-60.5	131	-173.7	-70.9	167.9	129.9	0	0	112.4	M360 T363	M360-E365 WeakPolarHBondContact CB-O 3.37Å; M360-E365 HydrophobicContact CG-CB 4.18Å; M360-E365 PolarHBondContact O-N 3.36Å; T363-E365 VanDerWaalsContact CB-OE2 3.26Å; T363-E365 WeakPolarHBondContact CB-OE2 3.25Å; T363-E365 PolarHBondContact O-N 2.99Å; T363-E365 VanDerWaalsContact O-N 3.12Å; T363-E365 WeakPolarHBondContact OG1-CB 3.19Å; T363-E365 VanDerWaalsContact OG1-CD 3.3Å; T363-E365 WeakPolarHBondContact OG1-CG 3.41Å; T363-E365 PolarHBondContact OG1-N 3.38Å; T363-E365 PolarHBondContact OG1-OE2 2.85Å
366	K	82.3	Confident	82.5	Confident	121 Å²	121	77.7 Å²	77.7	53%	0.526	42%	0.415	S	S	.	.			trans	-132.4	78.9	176.4	-68.6	160.9	-172.9	169	0	108.2	G364 Y368 A376 F377	G364-K366 PolarHBondContact O-N 2.89Å; K366-Y368 PolarHBondContact O-N 3.44Å; K366-Y368 VanDerWaalsContact O-N 3.1Å; K366-A376 HydrophobicContact CB-CB 3.45Å; K366-A376 VanDerWaalsContact CB-CB 3.45Å; K366-A376 HydrophobicContact CD-CB 4.03Å; K366-A376 HydrophobicContact CG-CB 4.33Å; K366-F377 CarbonylContact C-O 3.58Å; K366-F377 VanDerWaalsContact C-O 3.3Å; K366-F377 WeakPolarHBondContact CA-O 3.35Å
367	P	82.4	Confident	82.5	Confident	84 Å²	84	75.8 Å²	75.8	55%	0.545	40%	0.399	S	S	.	.			trans	-61.5	-22.8	-170.9	-25.3	35.7	0	0	0	114.1	M360 K369	M360-P367 VanDerWaalsContact SD-CD 3.57Å; M360-P367 HydrophobicContact SD-CG 3.91Å; P367-K369 PolarHBondContact O-N 3.19Å
368	Y	84.7	Confident	82.5	Confident	97 Å²	97	76.2 Å²	76.2	38%	0.38	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-99.7	85.5	-174.2	-53.8	-74.1	0	0	0	110.1	K366 A376 F377 S380	K366-Y368 PolarHBondContact O-N 3.44Å; K366-Y368 VanDerWaalsContact O-N 3.1Å; Y368-A376 CarbonylContact O-C 3.3Å; Y368-A376 WeakPolarHBondContact O-CA 3.49Å; Y368-F377 WeakPolarHBondContact CD2-O 3.45Å; Y368-F377 PolarHBondContact N-O 3.02Å; Y368-F377 PolarHBondContact O-N 3.05Å; Y368-S380 VanDerWaalsContact CD2-N 3.33Å
369	K	84.3	Confident	82.3	Confident	133 Å²	133	78.9 Å²	78.9	58%	0.578	41%	0.411	S	S	*	.			trans	-79.1	157	175.8	-65.1	-176.5	-178.9	177.2	0	112	P367 A376 L383	P367-K369 PolarHBondContact O-N 3.19Å; K369-A376 HydrophobicContact CG-CB 3.97Å; K369-L383 VanDerWaalsContact O-CD1 3.23Å; K369-L383 WeakPolarHBondContact O-CD1 3.49Å; K369-L383 WeakPolarHBondContact O-CD2 3.3Å
370	C	88.6	Confident	82.4	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.007	42%	0.415	C	S	.	.			trans	-117.4	98.6	176.5	-169.9	0	0	0	0	108.9	E372 C373 G374 K375 F377 L383 H386	C370-E372 PolarHBondContact O-N 2.99Å; C370-E372 VanDerWaalsContact O-N 3.11Å; C370-C373 PolarHBondContact O-N 2.8Å; C370-G374 WeakPolarHBondContact O-CA 3.19Å; C370-G374 PolarHBondContact O-N 3.21Å; C370-K375 WeakPolarHBondContact CB-O 3.4Å; C370-K375 PolarHBondContact N-O 3.13Å; C370-F377 HydrophobicContact CB-CE2 4.45Å; C370-L383 HydrophobicContact CB-CD1 3.51Å; C370-H386 PolarHBondContact SG-CD2 3.47Å
371	E	85.3	Confident	82.4	Confident	148 Å²	148	79.8 Å²	79.8	69%	0.692	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.9	-172.7	-46	-36.4	110.8	0	0	112.9	C373	E371-C373 PolarHBondContact O-N 3.46Å; E371-C373 VanDerWaalsContact O-N 3.13Å
372	E	83.6	Confident	82.6	Confident	111 Å²	111	77.2 Å²	77.2	52%	0.519	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.5	179.9	-62.7	148.3	135.5	0	0	114.8	C370 H390	C370-E372 PolarHBondContact O-N 2.99Å; C370-E372 VanDerWaalsContact O-N 3.11Å; E372-H390 IonicContact OE2-CD2 3.58Å; E372-H390 PolarHBondContact OE2-CD2 2.75Å
373	C	83.8	Confident	83	Confident	50 Å²	50	74.9 Å²	74.9	34%	0.338	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.5	16.1	-180	66.6	0	0	0	0	115.8	C370 E371 K375 H386 H390	C370-C373 PolarHBondContact O-N 2.8Å; E371-C373 PolarHBondContact O-N 3.46Å; E371-C373 VanDerWaalsContact O-N 3.13Å; C373-K375 PolarHBondContact O-N 2.91Å; C373-H386 PolarHBondContact SG-NE2 3.23Å; C373-H390 PolarHBondContact SG-CE1 3.47Å; C373-H390 PolarHBondContact SG-NE2 2.83Å
374	G	82.3	Confident	83.2	Confident	60 Å²	60	76.1 Å²	76.1	62%	0.619	41%	0.414	S	S	*	.			trans	66.2	-5.9	-179.1	0	0	0	0	0	116.8	C370 A376	C370-G374 WeakPolarHBondContact O-CA 3.19Å; C370-G374 PolarHBondContact O-N 3.21Å; G374-A376 PolarHBondContact O-N 3.33Å
375	K	83.4	Confident	83.5	Confident	121 Å²	121	78.8 Å²	78.8	53%	0.526	41%	0.411	S	S	.	.			trans	-68.7	123.3	-174.3	-71.9	174.2	-172.7	158.5	0	111.5	C370 C373 F377	C370-K375 WeakPolarHBondContact CB-O 3.4Å; C370-K375 PolarHBondContact N-O 3.13Å; C373-K375 PolarHBondContact O-N 2.91Å; K375-F377 HydrophobicContact CB-CE2 4.04Å; K375-F377 HydrophobicContact CB-CZ 4.17Å; K375-F377 VanDerWaalsContact O-CE2 3.28Å; K375-F377 WeakPolarHBondContact O-CE2 3.45Å
376	A	85.8	Confident	83.9	Confident	33 Å²	33	74.4 Å²	74.4	27%	0.273	39%	0.39	S	S	.	.			trans	-110.2	143	-174.2	0	0	0	0	0	112.8	K366 Y368 K369 G374	K366-A376 HydrophobicContact CB-CB 3.45Å; K366-A376 VanDerWaalsContact CB-CB 3.45Å; K366-A376 HydrophobicContact CD-CB 4.03Å; K366-A376 HydrophobicContact CG-CB 4.33Å; Y368-A376 CarbonylContact O-C 3.3Å; Y368-A376 WeakPolarHBondContact O-CA 3.49Å; K369-A376 HydrophobicContact CG-CB 3.97Å; G374-A376 PolarHBondContact O-N 3.33Å
377	F	84.1	Confident	83.9	Confident	49 Å²	49	72.8 Å²	72.8	22%	0.215	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-127.2	155.5	-173.8	-57.3	-90.1	0	0	0	112.2	K366 Y368 C370 K375 H382 L383 H386	K366-F377 CarbonylContact C-O 3.58Å; K366-F377 VanDerWaalsContact C-O 3.3Å; K366-F377 WeakPolarHBondContact CA-O 3.35Å; Y368-F377 WeakPolarHBondContact CD2-O 3.45Å; Y368-F377 PolarHBondContact N-O 3.02Å; Y368-F377 PolarHBondContact O-N 3.05Å; C370-F377 HydrophobicContact CB-CE2 4.45Å; K375-F377 HydrophobicContact CB-CE2 4.04Å; K375-F377 HydrophobicContact CB-CZ 4.17Å; K375-F377 VanDerWaalsContact O-CE2 3.28Å; K375-F377 WeakPolarHBondContact O-CE2 3.45Å; F377-H382 HydrophobicContact CB-CB 4.05Å; F377-H382 HydrophobicContact CD1-CB 3.85Å; F377-H382 HydrophobicContact CG-CB 4.14Å; F377-L383 HydrophobicContact CD2-CB 4.01Å; F377-L383 HydrophobicContact CD2-CD1 4.04Å; F377-L383 HydrophobicContact CE2-CD1 4.21Å; F377-L383 HydrophobicContact CG-CB 4.5Å; F377-H386 HydrophobicContact CE1-CB 4.3Å; F377-H386 HydrophobicContact CE2-CB 3.85Å; F377-H386 AromaticContact CE2-CD2 3.34Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.23Å; F377-H386 AromaticContact CE2-CG 3.73Å; F377-H386 HydrophobicContact CZ-CB 3.59Å; F377-H386 AromaticContact CZ-CD2 3.4Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.28Å; F377-H386 AromaticContact CZ-CG 3.41Å; F377-H386 VanDerWaalsContact CZ-CG 3.41Å
378	N	81	Confident	83.8	Confident	46 Å²	46	69.4 Å²	69.4	25%	0.246	36%	0.362	C	S	.	.	S	Bend	trans	-91.9	4.4	176.8	65.8	-10.2	0	0	0	114.1	M360	M360-N378 HydrophobicContact CB-CB 4.38Å; M360-N378 HydrophobicContact CE-CB 4.21Å; M360-N378 WeakPolarHBondContact CE-O 3.48Å; M360-N378 HydrophobicContact SD-CB 4.15Å
379	K	81.2	Confident	83.5	Confident	73 Å²	73	69.6 Å²	69.6	32%	0.317	37%	0.368	S	S	.	.	S	Bend	trans	-147.3	136.4	175.8	-62.7	-172.6	-178.6	-173.7	0	110.5	T357 S381 H382 L383	T357-K379 HydrophobicContact CG2-CG 4.49Å; K379-S381 VanDerWaalsContact C-N 3.33Å; K379-S381 PolarHBondContact O-N 3.39Å; K379-H382 HydrophobicContact CB-CB 4.34Å; K379-H382 WeakPolarHBondContact O-CB 3.5Å; K379-H382 PolarHBondContact O-N 2.9Å; K379-L383 PolarHBondContact O-N 3.06Å
380	S	83.3	Confident	83.3	Confident	63 Å²	63	66.8 Å²	66.8	44%	0.441	36%	0.357	S	S	.	.	H	α-helix	trans	-55.2	-45.8	175.7	51	0	0	0	0	112.3	Y368 H382 L383 T384	Y368-S380 VanDerWaalsContact CD2-N 3.33Å; S380-H382 PolarHBondContact O-N 3.48Å; S380-H382 VanDerWaalsContact O-N 3.16Å; S380-L383 CarbonylContact O-C 3.6Å; S380-L383 WeakPolarHBondContact O-CA 3.5Å; S380-L383 WeakPolarHBondContact O-CB 3.41Å; S380-L383 PolarHBondContact O-N 3.31Å; S380-T384 PolarHBondContact O-N 3.45Å; S380-T384 PolarHBondContact O-OG1 3.41Å
381	S	83.4	Confident	82.7	Confident	72 Å²	72	69.8 Å²	69.8	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-21.9	177.9	59.3	0	0	0	0	114.4	K379 R385	K379-S381 VanDerWaalsContact C-N 3.33Å; K379-S381 PolarHBondContact O-N 3.39Å; S381-R385 WeakPolarHBondContact O-CB 3.45Å; S381-R385 PolarHBondContact O-N 3.08Å
382	H	85	Confident	82.1	Confident	59 Å²	59	64.8 Å²	64.8	27%	0.273	37%	0.37	S	S	.	.	H	α-helix	trans	-76.3	-38.7	171	-67.5	-179.7	0	0	0	111.4	F377 K379 S380 R385 H386	F377-H382 HydrophobicContact CB-CB 4.05Å; F377-H382 HydrophobicContact CD1-CB 3.85Å; F377-H382 HydrophobicContact CG-CB 4.14Å; K379-H382 HydrophobicContact CB-CB 4.34Å; K379-H382 WeakPolarHBondContact O-CB 3.5Å; K379-H382 PolarHBondContact O-N 2.9Å; S380-H382 PolarHBondContact O-N 3.48Å; S380-H382 VanDerWaalsContact O-N 3.16Å; H382-R385 PolarHBondContact CD2-NH2 2.56Å; H382-H386 WeakPolarHBondContact O-CB 3.35Å; H382-H386 PolarHBondContact O-N 3.46Å
383	L	85.6	Confident	81.5	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.131	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-47.2	173	172.7	64.4	0	0	0	111.7	K369 C370 F377 K379 S380 R385 H386 K387	K369-L383 VanDerWaalsContact O-CD1 3.23Å; K369-L383 WeakPolarHBondContact O-CD1 3.49Å; K369-L383 WeakPolarHBondContact O-CD2 3.3Å; C370-L383 HydrophobicContact CB-CD1 3.51Å; F377-L383 HydrophobicContact CD2-CB 4.01Å; F377-L383 HydrophobicContact CD2-CD1 4.04Å; F377-L383 HydrophobicContact CE2-CD1 4.21Å; F377-L383 HydrophobicContact CG-CB 4.5Å; K379-L383 PolarHBondContact O-N 3.06Å; S380-L383 CarbonylContact O-C 3.6Å; S380-L383 WeakPolarHBondContact O-CA 3.5Å; S380-L383 WeakPolarHBondContact O-CB 3.41Å; S380-L383 PolarHBondContact O-N 3.31Å; L383-R385 VanDerWaalsContact C-N 3.33Å; L383-R385 PolarHBondContact O-N 3.23Å; L383-H386 CarbonylContact O-C 3.55Å; L383-H386 WeakPolarHBondContact O-CA 3.46Å; L383-H386 WeakPolarHBondContact O-CB 3.47Å; L383-H386 PolarHBondContact O-N 2.94Å; L383-K387 HydrophobicContact CD1-CG 4.3Å; L383-K387 PolarHBondContact O-N 3.1Å
384	T	83.7	Confident	81.1	Confident	99 Å²	99	68.2 Å²	68.2	61%	0.607	38%	0.379	S	S	*	.	H	α-helix	trans	-56.7	-47.1	178	-49.2	0	0	0	0	111.3	S380 H386 K387	S380-T384 PolarHBondContact O-N 3.45Å; S380-T384 PolarHBondContact O-OG1 3.41Å; T384-H386 PolarHBondContact O-N 3.09Å; T384-K387 PolarHBondContact O-N 2.94Å
385	R	82.8	Confident	80.9	Confident	100 Å²	100	69.7 Å²	69.7	38%	0.377	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-24.3	174.2	-178.5	179.1	58	-173	-9.2	113.1	S381 H382 L383 Q407	S381-R385 WeakPolarHBondContact O-CB 3.45Å; S381-R385 PolarHBondContact O-N 3.08Å; H382-R385 PolarHBondContact CD2-NH2 2.56Å; L383-R385 VanDerWaalsContact C-N 3.33Å; L383-R385 PolarHBondContact O-N 3.23Å; R385-Q407 VanDerWaalsContact CD-CD 3.5Å; R385-Q407 HydrophobicContact CG-CG 4.37Å
386	H	84.9	Confident	80.6	Confident	18 Å²	18	68.6 Å²	68.6	8%	0.083	37%	0.371	C	S	.	.	H	α-helix	trans	-77.7	-40.1	175.4	179.4	43.5	0	0	0	112.4	C370 C373 F377 H382 L383 T384 S388 I389 H390	C370-H386 PolarHBondContact SG-CD2 3.47Å; C373-H386 PolarHBondContact SG-NE2 3.23Å; F377-H386 HydrophobicContact CE1-CB 4.3Å; F377-H386 HydrophobicContact CE2-CB 3.85Å; F377-H386 AromaticContact CE2-CD2 3.34Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.23Å; F377-H386 AromaticContact CE2-CG 3.73Å; F377-H386 HydrophobicContact CZ-CB 3.59Å; F377-H386 AromaticContact CZ-CD2 3.4Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.28Å; F377-H386 AromaticContact CZ-CG 3.41Å; F377-H386 VanDerWaalsContact CZ-CG 3.41Å; H382-H386 WeakPolarHBondContact O-CB 3.35Å; H382-H386 PolarHBondContact O-N 3.46Å; L383-H386 CarbonylContact O-C 3.55Å; L383-H386 WeakPolarHBondContact O-CA 3.46Å; L383-H386 WeakPolarHBondContact O-CB 3.47Å; L383-H386 PolarHBondContact O-N 2.94Å; T384-H386 PolarHBondContact O-N 3.09Å; H386-S388 PolarHBondContact O-N 3.05Å; H386-I389 VanDerWaalsContact O-CB 3.24Å; H386-I389 WeakPolarHBondContact O-CB 3.5Å; H386-I389 WeakPolarHBondContact O-CG1 3.21Å; H386-I389 PolarHBondContact O-N 3.1Å; H386-H390 AromaticContact CD2-NE2 3.8Å; H386-H390 AromaticContact CE1-CE1 3.65Å; H386-H390 AromaticContact CE1-NE2 3.37Å; H386-H390 PolarHBondContact CE1-NE2 3.38Å; H386-H390 AromaticContact NE2-CE1 3.72Å; H386-H390 AromaticContact NE2-NE2 3.11Å; H386-H390 PolarHBondContact NE2-NE2 3.21Å; H386-H390 VanDerWaalsContact NE2-NE2 3.11Å
387	K	82.4	Confident	80.5	Confident	87 Å²	87	72.6 Å²	72.6	38%	0.378	38%	0.384	S	S	.	.	H	α-helix	trans	-58.2	-33.5	177	-72	-159.6	168.2	-155.8	0	113.2	L383 T384 I389 H390 A391	L383-K387 HydrophobicContact CD1-CG 4.3Å; L383-K387 PolarHBondContact O-N 3.1Å; T384-K387 PolarHBondContact O-N 2.94Å; K387-I389 PolarHBondContact O-N 2.92Å; K387-H390 PolarHBondContact O-N 3.07Å; K387-A391 PolarHBondContact O-N 2.73Å
388	S	80	Confident	80.5	Confident	13 Å²	13	70.3 Å²	70.3	9%	0.091	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-14.4	172.5	125.5	0	0	0	0	114.2	H386 G392 E393 N406	H386-S388 PolarHBondContact O-N 3.05Å; S388-G392 CarbonylContact O-C 3.31Å; S388-E393 WeakPolarHBondContact CB-O 3.4Å; S388-E393 PolarHBondContact O-N 2.84Å; S388-E393 VanDerWaalsContact O-O 3.05Å; S388-E393 PolarHBondContact OG-O 3.49Å; S388-N406 VanDerWaalsContact OG-CB 3.31Å; S388-N406 WeakPolarHBondContact OG-CB 3.37Å
389	I	80.1	Confident	80.5	Confident	101 Å²	101	75.1 Å²	75.1	52%	0.518	40%	0.395	S	S	.	.	H	α-helix	trans	-76.2	-38.2	171.3	-55.8	-176.5	0	0	0	111	H386 K387	H386-I389 VanDerWaalsContact O-CB 3.24Å; H386-I389 WeakPolarHBondContact O-CB 3.5Å; H386-I389 WeakPolarHBondContact O-CG1 3.21Å; H386-I389 PolarHBondContact O-N 3.1Å; K387-I389 PolarHBondContact O-N 2.92Å
390	H	79.5	Confident	80.3	Confident	74 Å²	74	78.6 Å²	78.6	34%	0.343	41%	0.41	S	S	.	.	H	α-helix	trans	-80.7	-43.5	-178.5	-52.2	-51	0	0	0	111.5	E372 C373 H386 K387 G392	E372-H390 IonicContact OE2-CD2 3.58Å; E372-H390 PolarHBondContact OE2-CD2 2.75Å; C373-H390 PolarHBondContact SG-CE1 3.47Å; C373-H390 PolarHBondContact SG-NE2 2.83Å; H386-H390 AromaticContact CD2-NE2 3.8Å; H386-H390 AromaticContact CE1-CE1 3.65Å; H386-H390 AromaticContact CE1-NE2 3.37Å; H386-H390 PolarHBondContact CE1-NE2 3.38Å; H386-H390 AromaticContact NE2-CE1 3.72Å; H386-H390 AromaticContact NE2-NE2 3.11Å; H386-H390 PolarHBondContact NE2-NE2 3.21Å; H386-H390 VanDerWaalsContact NE2-NE2 3.11Å; K387-H390 PolarHBondContact O-N 3.07Å; H390-G392 PolarHBondContact O-N 2.86Å; H390-G392 VanDerWaalsContact O-N 3.09Å
391	A	75.8	Confident	80.2	Confident	63 Å²	63	78.6 Å²	78.6	52%	0.521	41%	0.41	S	S	.	.	S	Bend	trans	-68.1	-3	174.5	0	0	0	0	0	113.9	K387 E393	K387-A391 PolarHBondContact O-N 2.73Å; A391-E393 HydrophobicContact CB-CB 4.41Å; A391-E393 HydrophobicContact CB-CG 3.94Å; A391-E393 PolarHBondContact O-N 3.24Å
392	G	72.4	Confident	80	Confident	44 Å²	44	77 Å²	77	45%	0.454	41%	0.405	S	S	.	.			trans	68.7	-13.4	-173.5	0	0	0	0	0	115	S388 H390 K394	S388-G392 CarbonylContact O-C 3.31Å; H390-G392 PolarHBondContact O-N 2.86Å; H390-G392 VanDerWaalsContact O-N 3.09Å; G392-K394 WeakPolarHBondContact O-CG 3.37Å; G392-K394 PolarHBondContact O-N 3.45Å
393	E	71.6	Confident	79.8	Confident	119 Å²	119	80.4 Å²	80.4	56%	0.556	42%	0.419	S	S	*	.			trans	-51.6	116.4	-177.7	-72.3	-175	172.8	0	0	113.1	S388 A391	S388-E393 WeakPolarHBondContact CB-O 3.4Å; S388-E393 PolarHBondContact O-N 2.84Å; S388-E393 VanDerWaalsContact O-O 3.05Å; S388-E393 PolarHBondContact OG-O 3.49Å; A391-E393 HydrophobicContact CB-CB 4.41Å; A391-E393 HydrophobicContact CB-CG 3.94Å; A391-E393 PolarHBondContact O-N 3.24Å
394	K	75.2	Confident	79.5	Confident	113 Å²	113	81.8 Å²	81.8	49%	0.491	43%	0.428	S	S	.	.			trans	-129.6	75.7	174	-69.4	164	-169.1	160.6	0	108.5	G392 Y396 T404 S405	G392-K394 WeakPolarHBondContact O-CG 3.37Å; G392-K394 PolarHBondContact O-N 3.45Å; K394-Y396 PolarHBondContact O-N 2.87Å; K394-T404 WeakPolarHBondContact CD-OG1 3.27Å; K394-S405 CarbonylContact C-O 3.58Å; K394-S405 VanDerWaalsContact CA-O 3.23Å; K394-S405 WeakPolarHBondContact CA-O 3.39Å
395	P	76.9	Confident	79.3	Confident	91 Å²	91	77.9 Å²	77.9	59%	0.591	41%	0.405	S	S	*	.			trans	-62.9	-10.8	-167.2	-24.3	35.6	0	0	0	115.3
396	Y	78.3	Confident	79.1	Confident	99 Å²	99	75.2 Å²	75.2	39%	0.388	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	87	-175.5	-54.5	-78.3	0	0	0	110	K394 T404 S405 Q407	K394-Y396 PolarHBondContact O-N 2.87Å; Y396-T404 CarbonylContact O-C 3.35Å; Y396-S405 WeakPolarHBondContact CB-O 3.35Å; Y396-S405 WeakPolarHBondContact CD2-O 3.46Å; Y396-S405 PolarHBondContact N-O 3.2Å; Y396-S405 VanDerWaalsContact N-O 3.1Å; Y396-S405 PolarHBondContact O-N 3.44Å; Y396-Q407 VanDerWaalsContact CD2-C 3.49Å
397	Q	82.6	Confident	78.8	Confident	116 Å²	116	76.7 Å²	76.7	54%	0.542	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.9	177	-173.8	162.4	-31.9	0	0	112.3	T404 L411	Q397-T404 HydrophobicContact CB-CG2 3.93Å; Q397-T404 HydrophobicContact CG-CG2 3.89Å; Q397-L411 VanDerWaalsContact O-CD2 3.31Å; Q397-L411 WeakPolarHBondContact O-CD2 3.34Å
398	C	84.2	Confident	78.7	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.007	41%	0.409	C	S	.	.			trans	-92.3	111.6	169.7	-172.4	0	0	0	0	110.9	K400 C401 G402 K403 L411 H418	C398-K400 PolarHBondContact O-N 3.41Å; C398-C401 PolarHBondContact O-N 3.27Å; C398-G402 WeakPolarHBondContact O-CA 3.48Å; C398-G402 PolarHBondContact O-N 3.09Å; C398-K403 WeakPolarHBondContact CB-O 3.46Å; C398-K403 PolarHBondContact N-O 2.99Å; C398-L411 HydrophobicContact CB-CD1 3.58Å; C398-H418 VanDerWaalsContact SG-CD2 3.51Å; C398-H418 PolarHBondContact SG-NE2 3.41Å; C398-H418 VanDerWaalsContact SG-NE2 3.43Å
399	E	80.9	Confident	78.7	Confident	147 Å²	147	78.1 Å²	78.1	69%	0.687	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-45	178.5	-53.9	99.1	-114.9	0	0	112.5	C401 K415	E399-C401 VanDerWaalsContact C-N 3.31Å; E399-C401 PolarHBondContact O-N 3.33Å; E399-K415 WeakPolarHBondContact OE1-CE 3.16Å; E399-K415 IonicContact OE1-NZ 3.03Å; E399-K415 PolarHBondContact OE1-NZ 3.02Å; E399-K415 IonicContact OE2-NZ 2.69Å; E399-K415 PolarHBondContact OE2-NZ 3.16Å
400	K	77.9	Confident	78.7	Confident	146 Å²	146	76.6 Å²	76.6	64%	0.635	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.6	-173.7	-74.5	-168	172.4	-167.6	0	116.3	C398 H418	C398-K400 PolarHBondContact O-N 3.41Å; K400-H418 HydrophobicContact CD-CB 3.67Å; K400-H418 PolarHBondContact NZ-O 2.84Å
401	C	81.6	Confident	78.9	Confident	64 Å²	64	74.1 Å²	74.1	43%	0.432	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.9	13.4	-175.7	70.8	0	0	0	0	115.3	C398 E399 K403 H414 H418	C398-C401 PolarHBondContact O-N 3.27Å; E399-C401 VanDerWaalsContact C-N 3.31Å; E399-C401 PolarHBondContact O-N 3.33Å; C401-K403 PolarHBondContact O-N 3.05Å; C401-K403 VanDerWaalsContact SG-CB 3.58Å; C401-H414 PolarHBondContact SG-NE2 2.99Å; C401-H418 PolarHBondContact SG-CE1 3.05Å; C401-H418 PolarHBondContact SG-NE2 3.45Å
402	G	78.9	Confident	79	Confident	39 Å²	39	75.4 Å²	75.4	40%	0.402	41%	0.41	S	S	.	.			trans	66.3	-6.7	-178.6	0	0	0	0	0	116	C398 T404	C398-G402 WeakPolarHBondContact O-CA 3.48Å; C398-G402 PolarHBondContact O-N 3.09Å; G402-T404 WeakPolarHBondContact O-CG2 3.14Å; G402-T404 PolarHBondContact O-N 3.44Å
403	K	80.8	Confident	79.4	Confident	129 Å²	129	77.6 Å²	77.6	56%	0.561	41%	0.408	S	S	*	.			trans	-66.8	119.4	-173.3	-170.4	175	-174.3	176.4	0	111.6	C398 C401	C398-K403 WeakPolarHBondContact CB-O 3.46Å; C398-K403 PolarHBondContact N-O 2.99Å; C401-K403 PolarHBondContact O-N 3.05Å; C401-K403 VanDerWaalsContact SG-CB 3.58Å
404	T	79.7	Confident	79.9	Confident	54 Å²	54	73 Å²	73	33%	0.331	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	149.8	-177.1	54.8	0	0	0	0	113.1	K394 Y396 Q397 G402	K394-T404 WeakPolarHBondContact CD-OG1 3.27Å; Y396-T404 CarbonylContact O-C 3.35Å; Q397-T404 HydrophobicContact CB-CG2 3.93Å; Q397-T404 HydrophobicContact CG-CG2 3.89Å; G402-T404 WeakPolarHBondContact O-CG2 3.14Å; G402-T404 PolarHBondContact O-N 3.44Å
405	S	79.4	Confident	80.1	Confident	18 Å²	18	71.2 Å²	71.2	13%	0.126	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.4	-178.4	173.4	0	0	0	0	111.9	K394 Y396 Q407	K394-S405 CarbonylContact C-O 3.58Å; K394-S405 VanDerWaalsContact CA-O 3.23Å; K394-S405 WeakPolarHBondContact CA-O 3.39Å; Y396-S405 WeakPolarHBondContact CB-O 3.35Å; Y396-S405 WeakPolarHBondContact CD2-O 3.46Å; Y396-S405 PolarHBondContact N-O 3.2Å; Y396-S405 VanDerWaalsContact N-O 3.1Å; Y396-S405 PolarHBondContact O-N 3.44Å; S405-Q407 VanDerWaalsContact C-N 3.32Å; S405-Q407 PolarHBondContact OG-N 2.9Å; S405-Q407 PolarHBondContact OG-O 3.27Å
406	N	77.4	Confident	80.3	Confident	43 Å²	43	68 Å²	68	23%	0.23	36%	0.357	C	S	.	.	S	Bend	trans	-84.9	-1.9	171.2	67.6	-0.3	0	0	0	114	S388	S388-N406 VanDerWaalsContact OG-CB 3.31Å; S388-N406 WeakPolarHBondContact OG-CB 3.37Å
407	Q	79	Confident	80.2	Confident	50 Å²	50	68 Å²	68	23%	0.234	36%	0.363	C	S	.	.			trans	-139.8	134.3	179	-72.4	170.9	102.4	0	0	111.5	R385 Y396 S405 S409 N410 L411	R385-Q407 VanDerWaalsContact CD-CD 3.5Å; R385-Q407 HydrophobicContact CG-CG 4.37Å; Y396-Q407 VanDerWaalsContact CD2-C 3.49Å; S405-Q407 VanDerWaalsContact C-N 3.32Å; S405-Q407 PolarHBondContact OG-N 2.9Å; S405-Q407 PolarHBondContact OG-O 3.27Å; Q407-S409 PolarHBondContact O-N 2.85Å; Q407-N410 HydrophobicContact CB-CB 4.37Å; Q407-N410 PolarHBondContact NE2-ND2 2.96Å; Q407-N410 PolarHBondContact O-N 3.18Å; Q407-L411 PolarHBondContact O-N 3.2Å
408	S	79.8	Confident	79.9	Confident	63 Å²	63	65.3 Å²	65.3	44%	0.441	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-43.4	175.3	50.9	0	0	0	0	112.6	N410 L411 T412	S408-N410 PolarHBondContact O-N 3.38Å; S408-L411 CarbonylContact O-C 3.3Å; S408-L411 WeakPolarHBondContact O-CA 3.05Å; S408-L411 WeakPolarHBondContact O-CB 3.43Å; S408-L411 PolarHBondContact O-N 3.36Å; S408-T412 PolarHBondContact O-N 2.99Å; S408-T412 PolarHBondContact O-OG1 3.42Å
409	S	80.6	Confident	79.3	Confident	67 Å²	67	68.3 Å²	68.3	47%	0.469	37%	0.368	S	S	.	.	H	α-helix	trans	-52.7	-41.5	176.4	53.7	0	0	0	0	112.8	Q407 T412 E413	Q407-S409 PolarHBondContact O-N 2.85Å; S409-T412 PolarHBondContact O-N 3.13Å; S409-E413 WeakPolarHBondContact O-CB 3.32Å; S409-E413 PolarHBondContact O-N 3.31Å
410	N	80.5	Confident	78.6	Confident	69 Å²	69	67 Å²	67	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-77.1	-28.4	-178	-54.7	6.1	0	0	0	110.9	Q407 S408 H414	Q407-N410 HydrophobicContact CB-CB 4.37Å; Q407-N410 PolarHBondContact NE2-ND2 2.96Å; Q407-N410 PolarHBondContact O-N 3.18Å; S408-N410 PolarHBondContact O-N 3.38Å; N410-H414 WeakPolarHBondContact O-CB 3.2Å; N410-H414 PolarHBondContact O-N 2.97Å
411	L	82.6	Confident	78.3	Confident	21 Å²	21	65.3 Å²	65.3	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-69.4	-44.7	169.5	175.2	63	0	0	0	110.9	Q397 C398 Q407 S408 H414 K415	Q397-L411 VanDerWaalsContact O-CD2 3.31Å; Q397-L411 WeakPolarHBondContact O-CD2 3.34Å; C398-L411 HydrophobicContact CB-CD1 3.58Å; Q407-L411 PolarHBondContact O-N 3.2Å; S408-L411 CarbonylContact O-C 3.3Å; S408-L411 WeakPolarHBondContact O-CA 3.05Å; S408-L411 WeakPolarHBondContact O-CB 3.43Å; S408-L411 PolarHBondContact O-N 3.36Å; L411-H414 CarbonylContact O-C 3.6Å; L411-H414 WeakPolarHBondContact O-CA 3.34Å; L411-H414 WeakPolarHBondContact O-CB 3.35Å; L411-H414 PolarHBondContact O-N 3.27Å; L411-H414 VanDerWaalsContact O-N 3.13Å; L411-K415 HydrophobicContact CD1-CG 4.41Å; L411-K415 PolarHBondContact O-N 3.14Å
412	T	79.2	Confident	78.2	Confident	91 Å²	91	66.1 Å²	66.1	56%	0.558	35%	0.353	S	S	*	.	H	α-helix	trans	-58.8	-48.4	175.4	-54.1	0	0	0	0	110.9	S408 S409 H414 K415 N416	S408-T412 PolarHBondContact O-N 2.99Å; S408-T412 PolarHBondContact O-OG1 3.42Å; S409-T412 PolarHBondContact O-N 3.13Å; T412-H414 VanDerWaalsContact C-N 3.27Å; T412-H414 PolarHBondContact O-N 3.37Å; T412-K415 PolarHBondContact O-N 2.92Å; T412-K415 VanDerWaalsContact O-N 3.14Å; T412-N416 PolarHBondContact O-N 3.49Å; T412-N416 PolarHBondContact O-OD1 3.39Å
413	E	79.8	Confident	78.2	Confident	89 Å²	89	67.9 Å²	67.9	42%	0.416	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-37.5	174.6	-163.2	-158.5	111.2	0	0	112.1	S409 N416 Q435	S409-E413 WeakPolarHBondContact O-CB 3.32Å; S409-E413 PolarHBondContact O-N 3.31Å; E413-N416 WeakPolarHBondContact O-CB 3.46Å; E413-N416 PolarHBondContact O-N 3.27Å; E413-Q435 HydrophobicContact CG-CG 4Å; E413-Q435 PolarHBondContact OE1-NE2 3.06Å; E413-Q435 PolarHBondContact OE2-NE2 2.75Å
414	H	82.3	Confident	78.3	Confident	24 Å²	24	66 Å²	66	11%	0.111	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-34.7	175.2	179.8	39.1	0	0	0	113.1	C401 N410 L411 T412 N416 I417 H418	C401-H414 PolarHBondContact SG-NE2 2.99Å; N410-H414 WeakPolarHBondContact O-CB 3.2Å; N410-H414 PolarHBondContact O-N 2.97Å; L411-H414 CarbonylContact O-C 3.6Å; L411-H414 WeakPolarHBondContact O-CA 3.34Å; L411-H414 WeakPolarHBondContact O-CB 3.35Å; L411-H414 PolarHBondContact O-N 3.27Å; L411-H414 VanDerWaalsContact O-N 3.13Å; T412-H414 VanDerWaalsContact C-N 3.27Å; T412-H414 PolarHBondContact O-N 3.37Å; H414-N416 PolarHBondContact O-N 2.88Å; H414-I417 VanDerWaalsContact O-CB 3.25Å; H414-I417 WeakPolarHBondContact O-CB 3.33Å; H414-I417 WeakPolarHBondContact O-CG1 3.32Å; H414-I417 PolarHBondContact O-N 3.4Å; H414-H418 AromaticContact CD2-NE2 4Å; H414-H418 AromaticContact CE1-CE1 3.83Å; H414-H418 AromaticContact CE1-NE2 3.2Å; H414-H418 PolarHBondContact CE1-NE2 3.13Å; H414-H418 AromaticContact NE2-CE1 3.99Å; H414-H418 AromaticContact NE2-NE2 3.13Å; H414-H418 PolarHBondContact NE2-NE2 2.82Å; H414-H418 VanDerWaalsContact NE2-NE2 3.13Å
415	K	80.4	Confident	78.5	Confident	74 Å²	74	70.5 Å²	70.5	32%	0.322	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-32.1	175.5	-72.8	-163.1	179.1	-163.5	0	111.7	E399 L411 T412 I417 H418 T419	E399-K415 WeakPolarHBondContact OE1-CE 3.16Å; E399-K415 IonicContact OE1-NZ 3.03Å; E399-K415 PolarHBondContact OE1-NZ 3.02Å; E399-K415 IonicContact OE2-NZ 2.69Å; E399-K415 PolarHBondContact OE2-NZ 3.16Å; L411-K415 HydrophobicContact CD1-CG 4.41Å; L411-K415 PolarHBondContact O-N 3.14Å; T412-K415 PolarHBondContact O-N 2.92Å; T412-K415 VanDerWaalsContact O-N 3.14Å; K415-I417 PolarHBondContact O-N 2.93Å; K415-I417 VanDerWaalsContact O-N 3.08Å; K415-H418 PolarHBondContact O-N 2.77Å; K415-T419 PolarHBondContact O-N 2.77Å
416	N	79.8	Confident	79	Confident	25 Å²	25	69.7 Å²	69.7	13%	0.134	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-17.3	171.5	-54.3	-6.6	0	0	0	113.7	T412 E413 H414 K434	T412-N416 PolarHBondContact O-N 3.49Å; T412-N416 PolarHBondContact O-OD1 3.39Å; E413-N416 WeakPolarHBondContact O-CB 3.46Å; E413-N416 PolarHBondContact O-N 3.27Å; H414-N416 PolarHBondContact O-N 2.88Å; N416-K434 HydrophobicContact CB-CB 4.37Å; N416-K434 HydrophobicContact CB-CD 4.48Å; N416-K434 PolarHBondContact ND2-O 2.87Å; N416-K434 VanDerWaalsContact O-CD 3.31Å; N416-K434 WeakPolarHBondContact O-CD 3.26Å; N416-K434 VanDerWaalsContact O-CE 3.3Å; N416-K434 WeakPolarHBondContact O-CE 3.39Å; N416-K434 PolarHBondContact O-NZ 2.91Å
417	I	77.2	Confident	79.4	Confident	97 Å²	97	75.2 Å²	75.2	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-68.5	-43.5	171.4	-57	-169.2	0	0	0	109.8	H414 K415 K434	H414-I417 VanDerWaalsContact O-CB 3.25Å; H414-I417 WeakPolarHBondContact O-CB 3.33Å; H414-I417 WeakPolarHBondContact O-CG1 3.32Å; H414-I417 PolarHBondContact O-N 3.4Å; K415-I417 PolarHBondContact O-N 2.93Å; K415-I417 VanDerWaalsContact O-N 3.08Å; I417-K434 PolarHBondContact O-NZ 2.95Å
418	H	77.2	Confident	79.7	Confident	61 Å²	61	77.5 Å²	77.5	28%	0.282	39%	0.392	S	S	.	.	H	α-helix	trans	-88.2	-9.9	-171.5	-55.6	-64	0	0	0	115.8	C398 K400 C401 H414 K415	C398-H418 VanDerWaalsContact SG-CD2 3.51Å; C398-H418 PolarHBondContact SG-NE2 3.41Å; C398-H418 VanDerWaalsContact SG-NE2 3.43Å; K400-H418 HydrophobicContact CD-CB 3.67Å; K400-H418 PolarHBondContact NZ-O 2.84Å; C401-H418 PolarHBondContact SG-CE1 3.05Å; C401-H418 PolarHBondContact SG-NE2 3.45Å; H414-H418 AromaticContact CD2-NE2 4Å; H414-H418 AromaticContact CE1-CE1 3.83Å; H414-H418 AromaticContact CE1-NE2 3.2Å; H414-H418 PolarHBondContact CE1-NE2 3.13Å; H414-H418 AromaticContact NE2-CE1 3.99Å; H414-H418 AromaticContact NE2-NE2 3.13Å; H414-H418 PolarHBondContact NE2-NE2 2.82Å; H414-H418 VanDerWaalsContact NE2-NE2 3.13Å; K415-H418 PolarHBondContact O-N 2.77Å
419	T	69.9	Low	79.9	Confident	63 Å²	63	77 Å²	77	39%	0.387	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.7	174.7	56.5	0	0	0	0	112.5	K415 E421	K415-T419 PolarHBondContact O-N 2.77Å; T419-E421 WeakPolarHBondContact CB-OE2 3.33Å; T419-E421 PolarHBondContact O-N 3.24Å; T419-E421 WeakPolarHBondContact OG1-CB 3.15Å; T419-E421 WeakPolarHBondContact OG1-CG 3.5Å; T419-E421 PolarHBondContact OG1-OE2 3.47Å
420	E	66.1	Low	80	Confident	121 Å²	121	76.6 Å²	76.6	57%	0.565	39%	0.394	S	S	*	.			trans	59.3	-11.9	-167.9	-88.2	-73.6	99	0	0	115.6	K422 K434	E420-K422 WeakPolarHBondContact O-CE 3.29Å; E420-K422 PolarHBondContact O-N 2.79Å; E420-K422 IonicContact OE2-NZ 3.27Å; E420-K422 PolarHBondContact OE2-NZ 2.95Å; E420-K434 IonicContact OE1-NZ 3.36Å; E420-K434 PolarHBondContact OE1-NZ 3.48Å
421	E	73	Confident	80.2	Confident	109 Å²	109	79.5 Å²	79.5	51%	0.509	40%	0.403	S	S	.	.			trans	-54	133	-172.6	-70.3	169.2	129.8	0	0	112.4	T419	T419-E421 WeakPolarHBondContact CB-OE2 3.33Å; T419-E421 PolarHBondContact O-N 3.24Å; T419-E421 WeakPolarHBondContact OG1-CB 3.15Å; T419-E421 WeakPolarHBondContact OG1-CG 3.5Å; T419-E421 PolarHBondContact OG1-OE2 3.47Å
422	K	78.6	Confident	80.4	Confident	82 Å²	82	80.1 Å²	80.1	36%	0.357	41%	0.411	S	S	.	.			trans	-125.7	75.9	177.8	-70.1	146.1	-169.6	147.5	0	107.2	E420 Y424 A432 F433 K434	E420-K422 WeakPolarHBondContact O-CE 3.29Å; E420-K422 PolarHBondContact O-N 2.79Å; E420-K422 IonicContact OE2-NZ 3.27Å; E420-K422 PolarHBondContact OE2-NZ 2.95Å; K422-Y424 PolarHBondContact O-N 3.33Å; K422-Y424 VanDerWaalsContact O-N 3.14Å; K422-A432 HydrophobicContact CB-CB 3.43Å; K422-A432 VanDerWaalsContact CB-CB 3.43Å; K422-A432 HydrophobicContact CD-CB 4.34Å; K422-A432 HydrophobicContact CG-CB 4.35Å; K422-F433 CarbonylContact C-O 3.59Å; K422-F433 VanDerWaalsContact C-O 3.31Å; K422-F433 WeakPolarHBondContact CA-O 3.48Å; K422-K434 HydrophobicContact CG-CG 3.83Å
423	P	79.7	Confident	80.6	Confident	76 Å²	76	78.1 Å²	78.1	49%	0.494	40%	0.395	S	S	.	.			trans	-62.1	-26	-169.8	-23.3	34.7	0	0	0	113.2	K425	P423-K425 PolarHBondContact O-N 3.4Å
424	Y	82.8	Confident	80.6	Confident	89 Å²	89	76.3 Å²	76.3	35%	0.349	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	84.2	-173.4	-52.1	-71.7	0	0	0	110	K422 F433 F436	K422-Y424 PolarHBondContact O-N 3.33Å; K422-Y424 VanDerWaalsContact O-N 3.14Å; Y424-F433 WeakPolarHBondContact CD2-O 2.93Å; Y424-F433 PolarHBondContact N-O 3.42Å; Y424-F433 PolarHBondContact O-N 3.19Å; Y424-F436 HydrophobicContact CD1-CB 3.86Å; Y424-F436 AromaticContact CD1-CD2 3.76Å; Y424-F436 HydrophobicContact CD1-CD2 3.76Å; Y424-F436 HydrophobicContact CD1-CG 4.32Å; Y424-F436 HydrophobicContact CD2-CB 4.49Å; Y424-F436 HydrophobicContact CE1-CB 3.77Å; Y424-F436 HydrophobicContact CE1-CD2 4.09Å; Y424-F436 HydrophobicContact CE1-CG 4.38Å; Y424-F436 HydrophobicContact CE2-CB 4.42Å; Y424-F436 HydrophobicContact CG-CB 4.21Å
425	K	84.2	Confident	80.5	Confident	148 Å²	148	77.8 Å²	77.8	64%	0.643	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	144.4	175.6	-61.8	-175.4	-179.9	179.2	0	111.4	P423 A432 L439	P423-K425 PolarHBondContact O-N 3.4Å; K425-A432 HydrophobicContact CG-CB 3.93Å; K425-L439 WeakPolarHBondContact O-CD2 3.5Å
426	C	88.9	Confident	80.5	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.007	40%	0.404	C	S	.	.			trans	-92	119.8	168.4	-172.7	0	0	0	0	109.3	E428 G430 K431 F433 L439 H446	C426-E428 VanDerWaalsContact C-N 3.28Å; C426-E428 PolarHBondContact O-N 3.27Å; C426-G430 VanDerWaalsContact O-CA 3.25Å; C426-G430 WeakPolarHBondContact O-CA 3.48Å; C426-G430 PolarHBondContact O-N 3.09Å; C426-K431 VanDerWaalsContact CB-O 3.27Å; C426-K431 WeakPolarHBondContact CB-O 3.34Å; C426-K431 PolarHBondContact N-O 3.22Å; C426-F433 HydrophobicContact CB-CE2 4.47Å; C426-L439 HydrophobicContact CB-CD1 3.63Å; C426-H446 PolarHBondContact SG-NE2 3.04Å
427	E	86.3	Confident	80.6	Confident	160 Å²	160	81.9 Å²	81.9	75%	0.748	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.2	179.8	-60.9	117.7	146.7	0	0	112.5	C429 K443	E427-C429 VanDerWaalsContact C-N 3.34Å; E427-C429 PolarHBondContact O-N 2.69Å; E427-K443 IonicContact OE2-NZ 3.2Å; E427-K443 PolarHBondContact OE2-NZ 3.43Å
428	E	84.6	Confident	80.9	Confident	98 Å²	98	80.5 Å²	80.5	46%	0.458	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.8	-172.7	-64.2	151.7	-104.6	0	0	114.1	C426 K443 H446	C426-E428 VanDerWaalsContact C-N 3.28Å; C426-E428 PolarHBondContact O-N 3.27Å; E428-K443 WeakPolarHBondContact OE1-CE 3.37Å; E428-K443 IonicContact OE1-NZ 3.65Å; E428-K443 PolarHBondContact OE1-NZ 3.07Å; E428-H446 WeakPolarHBondContact OE2-CB 3.14Å; E428-H446 IonicContact OE2-CD2 3.41Å; E428-H446 PolarHBondContact OE2-CD2 2.9Å; E428-H446 IonicContact OE2-CG 3.65Å
429	C	85.1	Confident	81.4	Confident	53 Å²	53	78.3 Å²	78.3	36%	0.358	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.9	14	179.1	71.1	0	0	0	0	115.5	E427 K431 H442 H446	E427-C429 VanDerWaalsContact C-N 3.34Å; E427-C429 PolarHBondContact O-N 2.69Å; C429-K431 PolarHBondContact O-N 2.92Å; C429-H442 PolarHBondContact SG-NE2 3.29Å; C429-H446 VanDerWaalsContact SG-CE1 3.53Å; C429-H446 PolarHBondContact SG-NE2 3.16Å
430	G	82.7	Confident	82.1	Confident	58 Å²	58	78.1 Å²	78.1	60%	0.598	40%	0.399	S	S	*	.			trans	68.2	-12.9	179.8	0	0	0	0	0	116.3	C426 A432	C426-G430 VanDerWaalsContact O-CA 3.25Å; C426-G430 WeakPolarHBondContact O-CA 3.48Å; C426-G430 PolarHBondContact O-N 3.09Å; G430-A432 PolarHBondContact O-N 3.22Å
431	K	84.9	Confident	83	Confident	130 Å²	130	73.9 Å²	73.9	57%	0.565	38%	0.382	S	S	*	.			trans	-62.8	131.5	-174.7	-71.3	178	-178.4	170.8	0	111.4	C426 C429 F433	C426-K431 VanDerWaalsContact CB-O 3.27Å; C426-K431 WeakPolarHBondContact CB-O 3.34Å; C426-K431 PolarHBondContact N-O 3.22Å; C429-K431 PolarHBondContact O-N 2.92Å; K431-F433 HydrophobicContact CB-CE2 4.03Å; K431-F433 HydrophobicContact CB-CZ 4.13Å; K431-F433 WeakPolarHBondContact O-CE2 3.39Å
432	A	86.1	Confident	83.7	Confident	34 Å²	34	69.6 Å²	69.6	28%	0.281	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.6	-170.8	0	0	0	0	0	112	K422 K425 G430	K422-A432 HydrophobicContact CB-CB 3.43Å; K422-A432 VanDerWaalsContact CB-CB 3.43Å; K422-A432 HydrophobicContact CD-CB 4.34Å; K422-A432 HydrophobicContact CG-CB 4.35Å; K425-A432 HydrophobicContact CG-CB 3.93Å; G430-A432 PolarHBondContact O-N 3.22Å
433	F	82.9	Confident	84	Confident	48 Å²	48	68.7 Å²	68.7	21%	0.211	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.3	-172.2	-59.2	-88.9	0	0	0	112.4	K422 Y424 C426 K431 Q435 N438 L439 H442	K422-F433 CarbonylContact C-O 3.59Å; K422-F433 VanDerWaalsContact C-O 3.31Å; K422-F433 WeakPolarHBondContact CA-O 3.48Å; Y424-F433 WeakPolarHBondContact CD2-O 2.93Å; Y424-F433 PolarHBondContact N-O 3.42Å; Y424-F433 PolarHBondContact O-N 3.19Å; C426-F433 HydrophobicContact CB-CE2 4.47Å; K431-F433 HydrophobicContact CB-CE2 4.03Å; K431-F433 HydrophobicContact CB-CZ 4.13Å; K431-F433 WeakPolarHBondContact O-CE2 3.39Å; F433-Q435 VanDerWaalsContact C-N 3.34Å; F433-N438 HydrophobicContact CB-CB 4.2Å; F433-N438 HydrophobicContact CD1-CB 3.91Å; F433-N438 HydrophobicContact CG-CB 4.3Å; F433-L439 HydrophobicContact CB-CB 4.42Å; F433-L439 HydrophobicContact CD2-CB 4Å; F433-L439 HydrophobicContact CD2-CD1 3.98Å; F433-L439 HydrophobicContact CE2-CD1 4.19Å; F433-L439 HydrophobicContact CG-CB 4.4Å; F433-H442 HydrophobicContact CE1-CB 4.08Å; F433-H442 HydrophobicContact CE2-CB 3.92Å; F433-H442 AromaticContact CE2-CD2 3.26Å; F433-H442 WeakPolarHBondContact CE2-CD2 3.42Å; F433-H442 AromaticContact CE2-CG 3.65Å; F433-H442 AromaticContact CE2-NE2 3.99Å; F433-H442 HydrophobicContact CZ-CB 3.56Å; F433-H442 AromaticContact CZ-CD2 3.33Å; F433-H442 WeakPolarHBondContact CZ-CD2 3.31Å; F433-H442 AromaticContact CZ-CG 3.27Å; F433-H442 AromaticContact CZ-ND1 3.84Å; F433-H442 AromaticContact CZ-NE2 3.9Å
434	K	79.6	Confident	84.5	Confident	52 Å²	52	67.4 Å²	67.4	23%	0.226	34%	0.343	C	S	.	.	S	Bend	trans	-80.2	-12.1	177	-56.5	-162.8	170.3	-167.2	0	113.8	N416 I417 E420 K422	N416-K434 HydrophobicContact CB-CB 4.37Å; N416-K434 HydrophobicContact CB-CD 4.48Å; N416-K434 PolarHBondContact ND2-O 2.87Å; N416-K434 VanDerWaalsContact O-CD 3.31Å; N416-K434 WeakPolarHBondContact O-CD 3.26Å; N416-K434 VanDerWaalsContact O-CE 3.3Å; N416-K434 WeakPolarHBondContact O-CE 3.39Å; N416-K434 PolarHBondContact O-NZ 2.91Å; I417-K434 PolarHBondContact O-NZ 2.95Å; E420-K434 IonicContact OE1-NZ 3.36Å; E420-K434 PolarHBondContact OE1-NZ 3.48Å; K422-K434 HydrophobicContact CG-CG 3.83Å
435	Q	80.7	Confident	84.6	Confident	54 Å²	54	68.2 Å²	68.2	25%	0.252	35%	0.353	S	S	.	.	S	Bend	trans	-134.5	145.7	175.8	-59.8	175.1	-4.1	0	0	111.5	E413 F433 S437 N438 L439	E413-Q435 HydrophobicContact CG-CG 4Å; E413-Q435 PolarHBondContact OE1-NE2 3.06Å; E413-Q435 PolarHBondContact OE2-NE2 2.75Å; F433-Q435 VanDerWaalsContact C-N 3.34Å; Q435-S437 VanDerWaalsContact CB-OG 3.29Å; Q435-S437 WeakPolarHBondContact CB-OG 3.44Å; Q435-S437 PolarHBondContact OE1-OG 3.17Å; Q435-N438 HydrophobicContact CB-CB 4.38Å; Q435-N438 PolarHBondContact O-N 2.95Å; Q435-N438 PolarHBondContact OE1-ND2 3.06Å; Q435-L439 PolarHBondContact O-N 2.85Å
436	F	79.8	Confident	84.7	Confident	126 Å²	126	64.8 Å²	64.8	55%	0.553	34%	0.339	S	S	*	.	H	α-helix	trans	-67.5	-33.2	175.7	-176.1	-100.1	0	0	0	113.8	Y424 N438 L439 T440	Y424-F436 HydrophobicContact CD1-CB 3.86Å; Y424-F436 AromaticContact CD1-CD2 3.76Å; Y424-F436 HydrophobicContact CD1-CD2 3.76Å; Y424-F436 HydrophobicContact CD1-CG 4.32Å; Y424-F436 HydrophobicContact CD2-CB 4.49Å; Y424-F436 HydrophobicContact CE1-CB 3.77Å; Y424-F436 HydrophobicContact CE1-CD2 4.09Å; Y424-F436 HydrophobicContact CE1-CG 4.38Å; Y424-F436 HydrophobicContact CE2-CB 4.42Å; Y424-F436 HydrophobicContact CG-CB 4.21Å; F436-N438 VanDerWaalsContact C-N 3.26Å; F436-N438 PolarHBondContact O-N 3.19Å; F436-L439 PolarHBondContact O-N 2.95Å; F436-T440 WeakPolarHBondContact CE1-OG1 3.38Å; F436-T440 WeakPolarHBondContact O-CB 3.31Å; F436-T440 PolarHBondContact O-N 2.85Å; F436-T440 PolarHBondContact O-OG1 3.15Å
437	S	81.6	Confident	84.5	Confident	59 Å²	59	68.7 Å²	68.7	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-55	-40.6	170.7	39.9	0	0	0	0	112.5	Q435 T440 T441	Q435-S437 VanDerWaalsContact CB-OG 3.29Å; Q435-S437 WeakPolarHBondContact CB-OG 3.44Å; Q435-S437 PolarHBondContact OE1-OG 3.17Å; S437-T440 PolarHBondContact O-N 3.15Å; S437-T441 PolarHBondContact O-N 3.28Å; S437-T441 PolarHBondContact O-OG1 2.97Å
438	N	84.8	Confident	84.4	Confident	69 Å²	69	63.1 Å²	63.1	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-74.9	-38.5	-179.6	-65.3	-22.4	0	0	0	111.1	F433 Q435 F436 T441 H442	F433-N438 HydrophobicContact CB-CB 4.2Å; F433-N438 HydrophobicContact CD1-CB 3.91Å; F433-N438 HydrophobicContact CG-CB 4.3Å; Q435-N438 HydrophobicContact CB-CB 4.38Å; Q435-N438 PolarHBondContact O-N 2.95Å; Q435-N438 PolarHBondContact OE1-ND2 3.06Å; F436-N438 VanDerWaalsContact C-N 3.26Å; F436-N438 PolarHBondContact O-N 3.19Å; N438-T441 PolarHBondContact O-OG1 2.62Å; N438-H442 WeakPolarHBondContact O-CB 3.36Å; N438-H442 PolarHBondContact O-N 2.9Å
439	L	86.8	Confident	84.5	Confident	15 Å²	15	63.2 Å²	63.2	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-44.9	168.3	175.7	60.9	0	0	0	111.7	K425 C426 F433 Q435 F436 T441 H442 K443	K425-L439 WeakPolarHBondContact O-CD2 3.5Å; C426-L439 HydrophobicContact CB-CD1 3.63Å; F433-L439 HydrophobicContact CB-CB 4.42Å; F433-L439 HydrophobicContact CD2-CB 4Å; F433-L439 HydrophobicContact CD2-CD1 3.98Å; F433-L439 HydrophobicContact CE2-CD1 4.19Å; F433-L439 HydrophobicContact CG-CB 4.4Å; Q435-L439 PolarHBondContact O-N 2.85Å; F436-L439 PolarHBondContact O-N 2.95Å; L439-T441 PolarHBondContact O-N 3.29Å; L439-H442 WeakPolarHBondContact O-CB 3.23Å; L439-H442 PolarHBondContact O-N 3.21Å; L439-H442 VanDerWaalsContact O-N 3.14Å; L439-K443 HydrophobicContact CD1-CG 4.26Å; L439-K443 PolarHBondContact O-N 2.97Å
440	T	84.6	Confident	84.6	Confident	58 Å²	58	66.7 Å²	66.7	36%	0.356	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-44	-179	-56.4	0	0	0	0	111.8	F436 S437 H442	F436-T440 WeakPolarHBondContact CE1-OG1 3.38Å; F436-T440 WeakPolarHBondContact O-CB 3.31Å; F436-T440 PolarHBondContact O-N 2.85Å; F436-T440 PolarHBondContact O-OG1 3.15Å; S437-T440 PolarHBondContact O-N 3.15Å; T440-H442 VanDerWaalsContact C-N 3.3Å
441	T	86.3	Confident	84.9	Confident	33 Å²	33	67.2 Å²	67.2	20%	0.202	35%	0.35	C	S	.	.	H	α-helix	trans	-74.5	-20.5	175.5	51.7	0	0	0	0	113.1	S437 N438 L439 Q463	S437-T441 PolarHBondContact O-N 3.28Å; S437-T441 PolarHBondContact O-OG1 2.97Å; N438-T441 PolarHBondContact O-OG1 2.62Å; L439-T441 PolarHBondContact O-N 3.29Å; T441-Q463 HydrophobicContact CG2-CG 4.33Å
442	H	87.8	Confident	85.2	Confident	19 Å²	19	64.6 Å²	64.6	9%	0.088	34%	0.337	C	S	.	.	H	α-helix	trans	-76.6	-41.9	172	174.1	58.7	0	0	0	113.2	C429 F433 N438 L439 T440 R444 I445 H446	C429-H442 PolarHBondContact SG-NE2 3.29Å; F433-H442 HydrophobicContact CE1-CB 4.08Å; F433-H442 HydrophobicContact CE2-CB 3.92Å; F433-H442 AromaticContact CE2-CD2 3.26Å; F433-H442 WeakPolarHBondContact CE2-CD2 3.42Å; F433-H442 AromaticContact CE2-CG 3.65Å; F433-H442 AromaticContact CE2-NE2 3.99Å; F433-H442 HydrophobicContact CZ-CB 3.56Å; F433-H442 AromaticContact CZ-CD2 3.33Å; F433-H442 WeakPolarHBondContact CZ-CD2 3.31Å; F433-H442 AromaticContact CZ-CG 3.27Å; F433-H442 AromaticContact CZ-ND1 3.84Å; F433-H442 AromaticContact CZ-NE2 3.9Å; N438-H442 WeakPolarHBondContact O-CB 3.36Å; N438-H442 PolarHBondContact O-N 2.9Å; L439-H442 WeakPolarHBondContact O-CB 3.23Å; L439-H442 PolarHBondContact O-N 3.21Å; L439-H442 VanDerWaalsContact O-N 3.14Å; T440-H442 VanDerWaalsContact C-N 3.3Å; H442-R444 PolarHBondContact O-N 3.11Å; H442-R444 VanDerWaalsContact O-N 3.11Å; H442-I445 VanDerWaalsContact O-CB 3.25Å; H442-I445 WeakPolarHBondContact O-CB 3.47Å; H442-I445 WeakPolarHBondContact O-CG1 3.46Å; H442-I445 PolarHBondContact O-N 3.49Å; H442-H446 AromaticContact CE1-NE2 3.84Å; H442-H446 AromaticContact NE2-NE2 3.44Å; H442-H446 PolarHBondContact NE2-NE2 3.08Å
443	K	84.6	Confident	85.2	Confident	63 Å²	63	69.3 Å²	69.3	27%	0.274	35%	0.352	S	S	.	.	H	α-helix	trans	-56.6	-29.6	177	-75.3	-157.8	172.5	-127.2	0	112.8	E427 E428 L439 I445 H446 T447	E427-K443 IonicContact OE2-NZ 3.2Å; E427-K443 PolarHBondContact OE2-NZ 3.43Å; E428-K443 WeakPolarHBondContact OE1-CE 3.37Å; E428-K443 IonicContact OE1-NZ 3.65Å; E428-K443 PolarHBondContact OE1-NZ 3.07Å; L439-K443 HydrophobicContact CD1-CG 4.26Å; L439-K443 PolarHBondContact O-N 2.97Å; K443-I445 PolarHBondContact O-N 2.95Å; K443-I445 VanDerWaalsContact O-N 3.11Å; K443-H446 PolarHBondContact O-N 3.18Å; K443-T447 PolarHBondContact O-N 3.4Å; K443-T447 VanDerWaalsContact O-N 3.14Å
444	R	88.8	Confident	85.6	Confident	48 Å²	48	67 Å²	67	18%	0.181	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-15.6	170.8	-64.8	-173.1	175.5	152.6	5	115.5	H442 T447 G448 E449 N462	H442-R444 PolarHBondContact O-N 3.11Å; H442-R444 VanDerWaalsContact O-N 3.11Å; R444-T447 WeakPolarHBondContact CA-OG1 3.41Å; R444-G448 CarbonylContact O-C 3.51Å; R444-G448 WeakPolarHBondContact O-CA 3.42Å; R444-G448 PolarHBondContact O-N 3.01Å; R444-E449 HydrophobicContact CB-CB 4.05Å; R444-E449 HydrophobicContact CG-CB 3.92Å; R444-E449 IonicContact NE-OE2 3.41Å; R444-E449 PolarHBondContact O-N 2.88Å; R444-N462 HydrophobicContact CB-CB 4.2Å; R444-N462 PolarHBondContact NH1-O 3.35Å
445	I	86.6	Confident	86.1	Confident	106 Å²	106	71.8 Å²	71.8	54%	0.544	37%	0.365	S	S	.	.	H	α-helix	trans	-75.4	-37.5	173.3	-58.6	-178.7	0	0	0	110.1	H442 K443	H442-I445 VanDerWaalsContact O-CB 3.25Å; H442-I445 WeakPolarHBondContact O-CB 3.47Å; H442-I445 WeakPolarHBondContact O-CG1 3.46Å; H442-I445 PolarHBondContact O-N 3.49Å; K443-I445 PolarHBondContact O-N 2.95Å; K443-I445 VanDerWaalsContact O-N 3.11Å
446	H	84.8	Confident	86.3	Confident	76 Å²	76	73.6 Å²	73.6	35%	0.352	37%	0.373	S	S	.	.	H	α-helix	trans	-76.5	-46.5	177.8	-56	-55.3	0	0	0	111.8	C426 E428 C429 H442 K443 G448	C426-H446 PolarHBondContact SG-NE2 3.04Å; E428-H446 WeakPolarHBondContact OE2-CB 3.14Å; E428-H446 IonicContact OE2-CD2 3.41Å; E428-H446 PolarHBondContact OE2-CD2 2.9Å; E428-H446 IonicContact OE2-CG 3.65Å; C429-H446 VanDerWaalsContact SG-CE1 3.53Å; C429-H446 PolarHBondContact SG-NE2 3.16Å; H442-H446 AromaticContact CE1-NE2 3.84Å; H442-H446 AromaticContact NE2-NE2 3.44Å; H442-H446 PolarHBondContact NE2-NE2 3.08Å; K443-H446 PolarHBondContact O-N 3.18Å; H446-G448 PolarHBondContact O-N 3.21Å
447	T	84.4	Confident	86.6	Confident	84 Å²	84	69.8 Å²	69.8	52%	0.515	36%	0.362	S	S	.	.	S	Bend	trans	-73.3	-7.3	177.3	66	0	0	0	0	113.8	K443 R444 E449	K443-T447 PolarHBondContact O-N 3.4Å; K443-T447 VanDerWaalsContact O-N 3.14Å; R444-T447 WeakPolarHBondContact CA-OG1 3.41Å; T447-E449 PolarHBondContact O-N 3.3Å; T447-E449 VanDerWaalsContact O-N 3.12Å; T447-E449 WeakPolarHBondContact OG1-CB 3.25Å; T447-E449 WeakPolarHBondContact OG1-CG 3.38Å
448	G	84.2	Confident	86.7	Confident	42 Å²	42	69.8 Å²	69.8	43%	0.433	37%	0.371	S	S	.	.			trans	68	2.3	-175.2	0	0	0	0	0	115	R444 H446 K450	R444-G448 CarbonylContact O-C 3.51Å; R444-G448 WeakPolarHBondContact O-CA 3.42Å; R444-G448 PolarHBondContact O-N 3.01Å; H446-G448 PolarHBondContact O-N 3.21Å; G448-K450 PolarHBondContact O-N 2.61Å
449	E	86.6	Confident	86.8	Confident	101 Å²	101	72.3 Å²	72.3	47%	0.472	38%	0.378	S	S	.	.			trans	-55.2	123.7	-175.1	-90	-174.5	-161.9	0	0	113	R444 T447 N462	R444-E449 HydrophobicContact CB-CB 4.05Å; R444-E449 HydrophobicContact CG-CB 3.92Å; R444-E449 IonicContact NE-OE2 3.41Å; R444-E449 PolarHBondContact O-N 2.88Å; T447-E449 PolarHBondContact O-N 3.3Å; T447-E449 VanDerWaalsContact O-N 3.12Å; T447-E449 WeakPolarHBondContact OG1-CB 3.25Å; T447-E449 WeakPolarHBondContact OG1-CG 3.38Å; E449-N462 WeakPolarHBondContact O-CB 3.47Å
450	K	89.1	Confident	86.9	Confident	125 Å²	125	73.2 Å²	73.2	54%	0.543	39%	0.388	S	S	.	.			trans	-127	74.4	175.3	-71	159.7	-176.2	170	0	110.6	G448 Y452 A460 F461	G448-K450 PolarHBondContact O-N 2.61Å; K450-Y452 PolarHBondContact O-N 3.09Å; K450-A460 HydrophobicContact CB-CB 3.58Å; K450-A460 HydrophobicContact CD-CB 4.34Å; K450-A460 HydrophobicContact CG-CB 4.48Å; K450-F461 CarbonylContact C-O 3.59Å; K450-F461 VanDerWaalsContact CA-O 3.24Å; K450-F461 WeakPolarHBondContact CA-O 3.39Å
451	P	88.5	Confident	87.1	Confident	69 Å²	69	72.4 Å²	72.4	45%	0.448	38%	0.38	S	S	.	.			trans	-67.4	-19.7	-172.7	-21.1	34.8	0	0	0	114.4
452	Y	90.4	Very high	87.1	Confident	75 Å²	75	72.6 Å²	72.6	29%	0.294	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	92.5	-172.6	-51	-73.9	0	0	0	110	K450 F461 N462 S464	K450-Y452 PolarHBondContact O-N 3.09Å; Y452-F461 WeakPolarHBondContact CD2-O 3.22Å; Y452-F461 PolarHBondContact N-O 3.29Å; Y452-F461 VanDerWaalsContact N-O 3.07Å; Y452-F461 PolarHBondContact O-N 3.37Å; Y452-N462 WeakPolarHBondContact CE2-O 3.45Å; Y452-S464 VanDerWaalsContact CD2-N 3.3Å
453	K	87.3	Confident	87.1	Confident	133 Å²	133	74.8 Å²	74.8	58%	0.578	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	151.7	175.7	-66.3	-177.9	-179.7	-178.4	0	111.6	A460 L467	K453-A460 HydrophobicContact CG-CB 4.01Å; K453-L467 WeakPolarHBondContact O-CD2 3.33Å
454	C	91.3	Very high	87.2	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.397	C	S	.	.			trans	-103.5	109.9	169.6	175.8	0	0	0	0	108.5	E456 C457 G458 K459 F461 L467 H474	C454-E456 PolarHBondContact O-N 3.24Å; C454-E456 PolarHBondContact SG-OE2 2.82Å; C454-C457 PolarHBondContact O-N 3.37Å; C454-G458 VanDerWaalsContact O-CA 3.3Å; C454-G458 WeakPolarHBondContact O-CA 3.3Å; C454-G458 PolarHBondContact O-N 2.96Å; C454-K459 WeakPolarHBondContact CB-O 3.46Å; C454-K459 PolarHBondContact N-O 3.32Å; C454-F461 HydrophobicContact CB-CE2 4.37Å; C454-L467 HydrophobicContact CB-CD1 3.57Å; C454-H474 PolarHBondContact SG-NE2 3.29Å
455	E	88.4	Confident	87	Confident	153 Å²	153	75.5 Å²	75.5	72%	0.715	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.6	-179.3	-46.8	-44.2	129.3	0	0	112.4	C457	E455-C457 VanDerWaalsContact C-N 3.3Å; E455-C457 PolarHBondContact O-N 2.87Å
456	E	85.8	Confident	86.9	Confident	92 Å²	92	72.9 Å²	72.9	43%	0.43	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.5	-176.5	-61.3	141.5	114.7	0	0	114	C454 K471 H474	C454-E456 PolarHBondContact O-N 3.24Å; C454-E456 PolarHBondContact SG-OE2 2.82Å; E456-K471 WeakPolarHBondContact OE2-CE 3.24Å; E456-K471 IonicContact OE2-NZ 2.68Å; E456-H474 HydrophobicContact CB-CB 4.5Å; E456-H474 WeakPolarHBondContact OE1-CB 3.32Å; E456-H474 IonicContact OE1-CD2 2.86Å; E456-H474 IonicContact OE1-CG 2.64Å; E456-H474 IonicContact OE2-CD2 3.58Å
457	C	84.9	Confident	87.1	Confident	46 Å²	46	70.4 Å²	70.4	31%	0.311	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153	14.7	179.8	74.8	0	0	0	0	115.7	C454 E455 K459 H470 H474	C454-C457 PolarHBondContact O-N 3.37Å; E455-C457 VanDerWaalsContact C-N 3.3Å; E455-C457 PolarHBondContact O-N 2.87Å; C457-K459 PolarHBondContact O-N 3.22Å; C457-H470 PolarHBondContact SG-NE2 2.59Å; C457-H474 WeakPolarHBondContact CB-CE1 3.4Å; C457-H474 PolarHBondContact SG-CE1 3.45Å; C457-H474 PolarHBondContact SG-NE2 3.28Å
458	G	84.7	Confident	87.1	Confident	58 Å²	58	70.9 Å²	70.9	60%	0.598	39%	0.389	S	S	*	.			trans	67.5	-10.5	-178.8	0	0	0	0	0	116.5	C454 A460	C454-G458 VanDerWaalsContact O-CA 3.3Å; C454-G458 WeakPolarHBondContact O-CA 3.3Å; C454-G458 PolarHBondContact O-N 2.96Å; G458-A460 PolarHBondContact O-N 3.03Å
459	K	86.8	Confident	87.1	Confident	123 Å²	123	70.6 Å²	70.6	54%	0.535	38%	0.379	S	S	.	.			trans	-65.4	129.3	-172.8	-70.8	177.7	-175.4	170.5	0	111.7	C454 C457 F461	C454-K459 WeakPolarHBondContact CB-O 3.46Å; C454-K459 PolarHBondContact N-O 3.32Å; C457-K459 PolarHBondContact O-N 3.22Å; K459-F461 HydrophobicContact CB-CE2 3.98Å; K459-F461 HydrophobicContact CB-CZ 3.99Å; K459-F461 WeakPolarHBondContact O-CE2 3.42Å
460	A	89.9	Confident	87	Confident	34 Å²	34	66.7 Å²	66.7	28%	0.281	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.8	-174.3	0	0	0	0	0	112.2	K450 K453 G458	K450-A460 HydrophobicContact CB-CB 3.58Å; K450-A460 HydrophobicContact CD-CB 4.34Å; K450-A460 HydrophobicContact CG-CB 4.48Å; K453-A460 HydrophobicContact CG-CB 4.01Å; G458-A460 PolarHBondContact O-N 3.03Å
461	F	88.4	Confident	86.8	Confident	40 Å²	40	64.7 Å²	64.7	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.2	-175.7	-55	-85.9	0	0	0	111.7	K450 Y452 C454 K459 I466 L467 H470	K450-F461 CarbonylContact C-O 3.59Å; K450-F461 VanDerWaalsContact CA-O 3.24Å; K450-F461 WeakPolarHBondContact CA-O 3.39Å; Y452-F461 WeakPolarHBondContact CD2-O 3.22Å; Y452-F461 PolarHBondContact N-O 3.29Å; Y452-F461 VanDerWaalsContact N-O 3.07Å; Y452-F461 PolarHBondContact O-N 3.37Å; C454-F461 HydrophobicContact CB-CE2 4.37Å; K459-F461 HydrophobicContact CB-CE2 3.98Å; K459-F461 HydrophobicContact CB-CZ 3.99Å; K459-F461 WeakPolarHBondContact O-CE2 3.42Å; F461-I466 HydrophobicContact CB-CB 4.44Å; F461-I466 HydrophobicContact CB-CG2 4.45Å; F461-I466 HydrophobicContact CD1-CB 4.33Å; F461-I466 HydrophobicContact CD1-CG2 3.47Å; F461-I466 VanDerWaalsContact CD1-CG2 3.47Å; F461-I466 HydrophobicContact CE1-CG2 3.99Å; F461-I466 HydrophobicContact CG-CG2 4.12Å; F461-L467 HydrophobicContact CD2-CB 4.02Å; F461-L467 HydrophobicContact CD2-CD1 3.97Å; F461-L467 HydrophobicContact CE2-CD1 4.1Å; F461-H470 HydrophobicContact CE1-CB 4.47Å; F461-H470 HydrophobicContact CE2-CB 4.1Å; F461-H470 AromaticContact CE2-CD2 3.32Å; F461-H470 WeakPolarHBondContact CE2-CD2 3.38Å; F461-H470 AromaticContact CE2-CG 3.79Å; F461-H470 HydrophobicContact CZ-CB 3.85Å; F461-H470 AromaticContact CZ-CD2 3.38Å; F461-H470 WeakPolarHBondContact CZ-CD2 3.09Å; F461-H470 AromaticContact CZ-CG 3.45Å; F461-H470 VanDerWaalsContact CZ-CG 3.45Å; F461-H470 AromaticContact CZ-NE2 3.94Å
462	N	85.6	Confident	86.5	Confident	37 Å²	37	64 Å²	64	20%	0.198	34%	0.34	C	S	.	.	S	Bend	trans	-83.5	-14	178.9	60	-5.4	0	0	0	113.9	R444 E449 Y452	R444-N462 HydrophobicContact CB-CB 4.2Å; R444-N462 PolarHBondContact NH1-O 3.35Å; E449-N462 WeakPolarHBondContact O-CB 3.47Å; Y452-N462 WeakPolarHBondContact CE2-O 3.45Å
463	Q	86.9	Confident	86.1	Confident	65 Å²	65	65.1 Å²	65.1	30%	0.304	35%	0.35	S	S	.	.	S	Bend	trans	-133	140.3	177.7	-60.6	-179.5	2.4	0	0	111.6	T441 I466 L467	T441-Q463 HydrophobicContact CG2-CG 4.33Å; Q463-I466 HydrophobicContact CB-CD1 3.98Å; Q463-I466 HydrophobicContact CB-CG1 4.03Å; Q463-I466 HydrophobicContact CG-CD1 4.31Å; Q463-I466 PolarHBondContact O-N 3.33Å; Q463-L467 PolarHBondContact O-N 2.9Å
464	S	86.8	Confident	85.7	Confident	61 Å²	61	62.6 Å²	62.6	43%	0.427	34%	0.34	S	S	.	.	H	α-helix	trans	-67.5	-37.2	-179.9	49.9	0	0	0	0	113	Y452 I466 L467 T468	Y452-S464 VanDerWaalsContact CD2-N 3.3Å; S464-I466 VanDerWaalsContact C-N 3.26Å; S464-I466 PolarHBondContact O-N 3.11Å; S464-L467 WeakPolarHBondContact O-CB 3.39Å; S464-L467 PolarHBondContact O-N 3.37Å; S464-L467 VanDerWaalsContact O-N 3.13Å; S464-T468 PolarHBondContact O-N 3.26Å; S464-T468 PolarHBondContact O-OG1 2.92Å
465	S	85.6	Confident	85.1	Confident	65 Å²	65	67 Å²	67	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-54.6	-41.4	174.1	51.6	0	0	0	0	112.3	T468 T469	S465-T468 PolarHBondContact O-N 2.94Å; S465-T469 WeakPolarHBondContact O-CG2 3.3Å; S465-T469 PolarHBondContact O-N 2.91Å; S465-T469 PolarHBondContact O-OG1 2.97Å
466	I	84.9	Confident	84.4	Confident	51 Å²	51	61.8 Å²	61.8	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-46.4	177.7	-57.4	176.1	0	0	0	109.7	F461 Q463 S464 T468 T469 H470	F461-I466 HydrophobicContact CB-CB 4.44Å; F461-I466 HydrophobicContact CB-CG2 4.45Å; F461-I466 HydrophobicContact CD1-CB 4.33Å; F461-I466 HydrophobicContact CD1-CG2 3.47Å; F461-I466 VanDerWaalsContact CD1-CG2 3.47Å; F461-I466 HydrophobicContact CE1-CG2 3.99Å; F461-I466 HydrophobicContact CG-CG2 4.12Å; Q463-I466 HydrophobicContact CB-CD1 3.98Å; Q463-I466 HydrophobicContact CB-CG1 4.03Å; Q463-I466 HydrophobicContact CG-CD1 4.31Å; Q463-I466 PolarHBondContact O-N 3.33Å; S464-I466 VanDerWaalsContact C-N 3.26Å; S464-I466 PolarHBondContact O-N 3.11Å; I466-T468 PolarHBondContact O-N 3.04Å; I466-T469 CarbonylContact O-C 3.57Å; I466-T469 PolarHBondContact O-N 3.03Å; I466-T469 PolarHBondContact O-OG1 2.93Å; I466-H470 WeakPolarHBondContact O-CB 3.46Å; I466-H470 PolarHBondContact O-N 3.29Å
467	L	87.9	Confident	83.8	Confident	24 Å²	24	61.3 Å²	61.3	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-56.8	-46.3	173.9	173.6	62.8	0	0	0	112	K453 C454 F461 Q463 S464 T469 H470 K471	K453-L467 WeakPolarHBondContact O-CD2 3.33Å; C454-L467 HydrophobicContact CB-CD1 3.57Å; F461-L467 HydrophobicContact CD2-CB 4.02Å; F461-L467 HydrophobicContact CD2-CD1 3.97Å; F461-L467 HydrophobicContact CE2-CD1 4.1Å; Q463-L467 PolarHBondContact O-N 2.9Å; S464-L467 WeakPolarHBondContact O-CB 3.39Å; S464-L467 PolarHBondContact O-N 3.37Å; S464-L467 VanDerWaalsContact O-N 3.13Å; L467-T469 PolarHBondContact O-N 3.5Å; L467-H470 WeakPolarHBondContact O-CA 3.39Å; L467-H470 WeakPolarHBondContact O-CB 3.37Å; L467-H470 PolarHBondContact O-N 2.76Å; L467-K471 HydrophobicContact CD1-CG 4.26Å; L467-K471 PolarHBondContact O-N 3.01Å
468	T	85.2	Confident	83.5	Confident	95 Å²	95	65 Å²	65	58%	0.583	36%	0.363	S	S	*	.	H	α-helix	trans	-59.8	-44.1	177.5	-55.1	0	0	0	0	111.7	S464 S465 I466 H470 K471	S464-T468 PolarHBondContact O-N 3.26Å; S464-T468 PolarHBondContact O-OG1 2.92Å; S465-T468 PolarHBondContact O-N 2.94Å; I466-T468 PolarHBondContact O-N 3.04Å; T468-H470 PolarHBondContact O-N 2.87Å; T468-K471 PolarHBondContact O-N 3.37Å
469	T	83.3	Confident	83.2	Confident	36 Å²	36	65 Å²	65	22%	0.221	35%	0.354	C	S	.	.	H	α-helix	trans	-71.4	-16.4	174.3	65.9	0	0	0	0	114.1	S465 I466 L467 R491	S465-T469 WeakPolarHBondContact O-CG2 3.3Å; S465-T469 PolarHBondContact O-N 2.91Å; S465-T469 PolarHBondContact O-OG1 2.97Å; I466-T469 CarbonylContact O-C 3.57Å; I466-T469 PolarHBondContact O-N 3.03Å; I466-T469 PolarHBondContact O-OG1 2.93Å; L467-T469 PolarHBondContact O-N 3.5Å; T469-R491 PolarHBondContact OG1-NE 3.2Å; T469-R491 PolarHBondContact OG1-NH2 2.87Å
470	H	85.9	Confident	83	Confident	18 Å²	18	62.9 Å²	62.9	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-82.9	-39	175.6	173	54.4	0	0	0	111.9	C457 F461 I466 L467 T468 R472 I473 H474	C457-H470 PolarHBondContact SG-NE2 2.59Å; F461-H470 HydrophobicContact CE1-CB 4.47Å; F461-H470 HydrophobicContact CE2-CB 4.1Å; F461-H470 AromaticContact CE2-CD2 3.32Å; F461-H470 WeakPolarHBondContact CE2-CD2 3.38Å; F461-H470 AromaticContact CE2-CG 3.79Å; F461-H470 HydrophobicContact CZ-CB 3.85Å; F461-H470 AromaticContact CZ-CD2 3.38Å; F461-H470 WeakPolarHBondContact CZ-CD2 3.09Å; F461-H470 AromaticContact CZ-CG 3.45Å; F461-H470 VanDerWaalsContact CZ-CG 3.45Å; F461-H470 AromaticContact CZ-NE2 3.94Å; I466-H470 WeakPolarHBondContact O-CB 3.46Å; I466-H470 PolarHBondContact O-N 3.29Å; L467-H470 WeakPolarHBondContact O-CA 3.39Å; L467-H470 WeakPolarHBondContact O-CB 3.37Å; L467-H470 PolarHBondContact O-N 2.76Å; T468-H470 PolarHBondContact O-N 2.87Å; H470-R472 PolarHBondContact O-N 3.12Å; H470-R472 VanDerWaalsContact O-N 3.15Å; H470-I473 VanDerWaalsContact O-CB 3.27Å; H470-I473 WeakPolarHBondContact O-CB 3.35Å; H470-I473 WeakPolarHBondContact O-CG1 3.45Å; H470-I473 PolarHBondContact O-N 2.92Å; H470-H474 AromaticContact CD2-NE2 3.29Å; H470-H474 PolarHBondContact CD2-NE2 3.06Å; H470-H474 VanDerWaalsContact CD2-NE2 3.29Å; H470-H474 AromaticContact CE1-CE1 3.92Å; H470-H474 AromaticContact CE1-NE2 3.25Å; H470-H474 PolarHBondContact CE1-NE2 3.35Å; H470-H474 VanDerWaalsContact CE1-NE2 3.25Å; H470-H474 AromaticContact NE2-CE1 3.96Å; H470-H474 AromaticContact NE2-NE2 2.55Å; H470-H474 PolarHBondContact NE2-NE2 3.14Å
471	K	83.7	Confident	82.7	Confident	84 Å²	84	67.8 Å²	67.8	37%	0.365	36%	0.358	S	S	.	.	H	α-helix	trans	-56.5	-30.4	176.1	-72	-158.2	168	-151.7	0	113.3	E456 L467 T468 I473 H474 T475	E456-K471 WeakPolarHBondContact OE2-CE 3.24Å; E456-K471 IonicContact OE2-NZ 2.68Å; L467-K471 HydrophobicContact CD1-CG 4.26Å; L467-K471 PolarHBondContact O-N 3.01Å; T468-K471 PolarHBondContact O-N 3.37Å; K471-I473 PolarHBondContact O-N 3.25Å; K471-I473 VanDerWaalsContact O-N 3.07Å; K471-H474 PolarHBondContact O-N 3.29Å; K471-T475 PolarHBondContact O-N 3.19Å; K471-T475 PolarHBondContact O-OG1 3.47Å
472	R	83.1	Confident	82.6	Confident	54 Å²	54	65.9 Å²	65.9	20%	0.204	35%	0.35	C	S	.	.	H	α-helix	trans	-57.7	-16.8	171.1	-69.3	-170.3	163.3	166.7	-6.9	115.5	H470 T475 G476 E477 S479	H470-R472 PolarHBondContact O-N 3.12Å; H470-R472 VanDerWaalsContact O-N 3.15Å; R472-T475 WeakPolarHBondContact CA-OG1 3.36Å; R472-G476 CarbonylContact O-C 3.15Å; R472-G476 PolarHBondContact O-N 2.79Å; R472-E477 HydrophobicContact CG-CB 4.3Å; R472-E477 WeakPolarHBondContact CG-OE2 3.26Å; R472-E477 IonicContact CZ-OE1 3.4Å; R472-E477 IonicContact CZ-OE2 3.45Å; R472-E477 VanDerWaalsContact NE-CD 3.34Å; R472-E477 IonicContact NE-OE1 2.63Å; R472-E477 PolarHBondContact NE-OE1 3.25Å; R472-E477 IonicContact NE-OE2 3.86Å; R472-E477 PolarHBondContact NE-OE2 2.96Å; R472-E477 IonicContact NH2-OE1 2.86Å; R472-E477 PolarHBondContact NH2-OE1 3.04Å; R472-E477 IonicContact NH2-OE2 3.34Å; R472-E477 PolarHBondContact O-N 2.87Å; R472-S479 PolarHBondContact NH1-OG 3.3Å; R472-S479 PolarHBondContact NH2-OG 3.13Å; R472-S479 VanDerWaalsContact NH2-OG 3.1Å
473	I	80.8	Confident	82.5	Confident	99 Å²	99	71.4 Å²	71.4	51%	0.508	37%	0.374	S	S	.	.	H	α-helix	trans	-76.9	-36	173.7	-57.3	-178.1	0	0	0	110.3	H470 K471	H470-I473 VanDerWaalsContact O-CB 3.27Å; H470-I473 WeakPolarHBondContact O-CB 3.35Å; H470-I473 WeakPolarHBondContact O-CG1 3.45Å; H470-I473 PolarHBondContact O-N 2.92Å; K471-I473 PolarHBondContact O-N 3.25Å; K471-I473 VanDerWaalsContact O-N 3.07Å
474	H	80.1	Confident	82.2	Confident	80 Å²	80	72.9 Å²	72.9	37%	0.37	38%	0.381	S	S	.	.	H	α-helix	trans	-81.3	-42.3	179.6	-53	-51.3	0	0	0	111.9	C454 E456 C457 H470 K471 G476	C454-H474 PolarHBondContact SG-NE2 3.29Å; E456-H474 HydrophobicContact CB-CB 4.5Å; E456-H474 WeakPolarHBondContact OE1-CB 3.32Å; E456-H474 IonicContact OE1-CD2 2.86Å; E456-H474 IonicContact OE1-CG 2.64Å; E456-H474 IonicContact OE2-CD2 3.58Å; C457-H474 WeakPolarHBondContact CB-CE1 3.4Å; C457-H474 PolarHBondContact SG-CE1 3.45Å; C457-H474 PolarHBondContact SG-NE2 3.28Å; H470-H474 AromaticContact CD2-NE2 3.29Å; H470-H474 PolarHBondContact CD2-NE2 3.06Å; H470-H474 VanDerWaalsContact CD2-NE2 3.29Å; H470-H474 AromaticContact CE1-CE1 3.92Å; H470-H474 AromaticContact CE1-NE2 3.25Å; H470-H474 PolarHBondContact CE1-NE2 3.35Å; H470-H474 VanDerWaalsContact CE1-NE2 3.25Å; H470-H474 AromaticContact NE2-CE1 3.96Å; H470-H474 AromaticContact NE2-NE2 2.55Å; H470-H474 PolarHBondContact NE2-NE2 3.14Å; K471-H474 PolarHBondContact O-N 3.29Å; H474-G476 PolarHBondContact O-N 2.96Å
475	T	78	Confident	81.9	Confident	93 Å²	93	72.2 Å²	72.2	57%	0.571	38%	0.376	S	S	*	.	S	Bend	trans	-74.5	-7.4	175.1	64.3	0	0	0	0	113.7	K471 R472 E477	K471-T475 PolarHBondContact O-N 3.19Å; K471-T475 PolarHBondContact O-OG1 3.47Å; R472-T475 WeakPolarHBondContact CA-OG1 3.36Å; T475-E477 PolarHBondContact O-N 3.21Å; T475-E477 VanDerWaalsContact O-N 3.09Å; T475-E477 WeakPolarHBondContact OG1-CB 3.31Å; T475-E477 PolarHBondContact OG1-N 3.28Å
476	G	73.6	Confident	81.7	Confident	43 Å²	43	71.8 Å²	71.8	44%	0.443	38%	0.382	S	S	.	.			trans	65.2	4.8	-173.9	0	0	0	0	0	115.2	R472 H474 K478	R472-G476 CarbonylContact O-C 3.15Å; R472-G476 PolarHBondContact O-N 2.79Å; H474-G476 PolarHBondContact O-N 2.96Å; G476-K478 WeakPolarHBondContact O-CG 3.49Å; G476-K478 PolarHBondContact O-N 3.28Å
477	E	74.7	Confident	81.5	Confident	82 Å²	82	75.3 Å²	75.3	38%	0.383	40%	0.395	S	S	.	.			trans	-67.3	95.6	-169.6	-168.9	-135.8	140.8	0	0	112.3	R472 T475 S479	R472-E477 HydrophobicContact CG-CB 4.3Å; R472-E477 WeakPolarHBondContact CG-OE2 3.26Å; R472-E477 IonicContact CZ-OE1 3.4Å; R472-E477 IonicContact CZ-OE2 3.45Å; R472-E477 VanDerWaalsContact NE-CD 3.34Å; R472-E477 IonicContact NE-OE1 2.63Å; R472-E477 PolarHBondContact NE-OE1 3.25Å; R472-E477 IonicContact NE-OE2 3.86Å; R472-E477 PolarHBondContact NE-OE2 2.96Å; R472-E477 IonicContact NH2-OE1 2.86Å; R472-E477 PolarHBondContact NH2-OE1 3.04Å; R472-E477 IonicContact NH2-OE2 3.34Å; R472-E477 PolarHBondContact O-N 2.87Å; T475-E477 PolarHBondContact O-N 3.21Å; T475-E477 VanDerWaalsContact O-N 3.09Å; T475-E477 WeakPolarHBondContact OG1-CB 3.31Å; T475-E477 PolarHBondContact OG1-N 3.28Å; E477-S479 PolarHBondContact O-N 2.98Å; E477-S479 VanDerWaalsContact OE1-CB 3.3Å; E477-S479 WeakPolarHBondContact OE1-CB 3.3Å; E477-S479 PolarHBondContact OE1-OG 3.3Å
478	K	77.6	Confident	81.2	Confident	124 Å²	124	75.7 Å²	75.7	54%	0.539	40%	0.402	S	S	.	.			trans	-97.4	70	178.4	-69.8	159.6	177.5	173.7	0	111.1	G476 Y480 A488 F489	G476-K478 WeakPolarHBondContact O-CG 3.49Å; G476-K478 PolarHBondContact O-N 3.28Å; K478-Y480 PolarHBondContact O-N 3.21Å; K478-Y480 VanDerWaalsContact O-N 3.09Å; K478-A488 HydrophobicContact CB-CB 3.54Å; K478-A488 HydrophobicContact CD-CB 4.2Å; K478-A488 WeakPolarHBondContact CD-O 3.37Å; K478-A488 HydrophobicContact CG-CB 4.4Å; K478-F489 CarbonylContact C-O 3.59Å; K478-F489 VanDerWaalsContact C-O 3.3Å; K478-F489 WeakPolarHBondContact CA-O 3.43Å
479	S	79.1	Confident	81	Confident	57 Å²	57	73.2 Å²	73.2	40%	0.399	38%	0.383	S	S	.	.			trans	-67.5	-3.7	-174.8	14.8	0	0	0	0	115.7	R472 E477 F489	R472-S479 PolarHBondContact NH1-OG 3.3Å; R472-S479 PolarHBondContact NH2-OG 3.13Å; R472-S479 VanDerWaalsContact NH2-OG 3.1Å; E477-S479 PolarHBondContact O-N 2.98Å; E477-S479 VanDerWaalsContact OE1-CB 3.3Å; E477-S479 WeakPolarHBondContact OE1-CB 3.3Å; E477-S479 PolarHBondContact OE1-OG 3.3Å; S479-F489 PolarHBondContact N-O 3.04Å
480	Y	81.9	Confident	80.7	Confident	79 Å²	79	75.1 Å²	75.1	31%	0.31	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	93.3	178.6	-53.3	-74.5	0	0	0	110.9	K478 A488 F489 S492	K478-Y480 PolarHBondContact O-N 3.21Å; K478-Y480 VanDerWaalsContact O-N 3.09Å; Y480-A488 CarbonylContact O-C 3.55Å; Y480-A488 WeakPolarHBondContact O-CA 3.29Å; Y480-F489 WeakPolarHBondContact CD2-O 3.29Å; Y480-F489 PolarHBondContact N-O 3.37Å; Y480-F489 VanDerWaalsContact N-O 3.12Å; Y480-F489 PolarHBondContact O-N 3.16Å; Y480-S492 VanDerWaalsContact CE2-N 3.3Å
481	K	82.8	Confident	80.4	Confident	137 Å²	137	78.6 Å²	78.6	60%	0.596	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	156.3	176.9	-64.2	-176.5	-179.9	179.3	0	111.8	A488 L495	K481-A488 HydrophobicContact CG-CB 4.03Å; K481-L495 VanDerWaalsContact O-CD1 3.29Å; K481-L495 WeakPolarHBondContact O-CD1 3.43Å; K481-L495 WeakPolarHBondContact O-CD2 3.38Å
482	C	86.6	Confident	80.3	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.402	C	S	.	.			trans	-112.1	103.3	172.6	-165.5	0	0	0	0	109.2	E484 C485 G486 K487 F489 L495	C482-E484 PolarHBondContact O-N 3.03Å; C482-E484 VanDerWaalsContact O-N 3.1Å; C482-C485 PolarHBondContact O-N 3.22Å; C482-G486 WeakPolarHBondContact O-CA 3.5Å; C482-G486 PolarHBondContact O-N 2.84Å; C482-K487 VanDerWaalsContact CB-O 3.28Å; C482-K487 WeakPolarHBondContact CB-O 3.43Å; C482-K487 PolarHBondContact N-O 2.97Å; C482-F489 HydrophobicContact CB-CE2 4.49Å; C482-L495 HydrophobicContact CB-CD1 3.44Å; C482-L495 VanDerWaalsContact CB-CD1 3.44Å
483	E	83.6	Confident	80.3	Confident	152 Å²	152	78.4 Å²	78.4	71%	0.71	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-35.9	-176	-45.2	-37.7	115.4	0	0	112.9	C485	E483-C485 VanDerWaalsContact C-N 3.26Å; E483-C485 PolarHBondContact O-N 3.3Å
484	E	81.1	Confident	80.3	Confident	97 Å²	97	77.1 Å²	77.1	45%	0.453	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.2	-178.8	-65.7	144.7	-113.9	0	0	115	C482 K499 H502	C482-E484 PolarHBondContact O-N 3.03Å; C482-E484 VanDerWaalsContact O-N 3.1Å; E484-K499 IonicContact OE1-NZ 2.72Å; E484-K499 PolarHBondContact OE1-NZ 2.71Å; E484-H502 WeakPolarHBondContact OE2-CB 3.28Å; E484-H502 IonicContact OE2-CD2 2.9Å; E484-H502 PolarHBondContact OE2-CD2 2.56Å; E484-H502 IonicContact OE2-CG 3.65Å
485	C	81.4	Confident	80.5	Confident	46 Å²	46	74.5 Å²	74.5	31%	0.311	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.3	12.8	178.9	72	0	0	0	0	116.2	C482 E483 K487 H498 H502	C482-C485 PolarHBondContact O-N 3.22Å; E483-C485 VanDerWaalsContact C-N 3.26Å; E483-C485 PolarHBondContact O-N 3.3Å; C485-K487 PolarHBondContact O-N 3.03Å; C485-H498 PolarHBondContact SG-NE2 3.35Å; C485-H502 WeakPolarHBondContact CB-NE2 3.13Å; C485-H502 PolarHBondContact SG-NE2 2.89Å
486	G	79.7	Confident	80.7	Confident	57 Å²	57	74.2 Å²	74.2	59%	0.588	40%	0.395	S	S	*	.			trans	67.9	-9.7	-178.2	0	0	0	0	0	116.4	C482 A488	C482-G486 WeakPolarHBondContact O-CA 3.5Å; C482-G486 PolarHBondContact O-N 2.84Å; G486-A488 PolarHBondContact O-N 3.31Å
487	K	80.6	Confident	80.9	Confident	124 Å²	124	75.5 Å²	75.5	54%	0.539	39%	0.389	S	S	.	.			trans	-66	127.4	-174.5	-72	177.6	-178.6	169.8	0	111.6	C482 C485 F489	C482-K487 VanDerWaalsContact CB-O 3.28Å; C482-K487 WeakPolarHBondContact CB-O 3.43Å; C482-K487 PolarHBondContact N-O 2.97Å; C485-K487 PolarHBondContact O-N 3.03Å; K487-F489 HydrophobicContact CB-CE2 3.93Å; K487-F489 HydrophobicContact CB-CZ 4.13Å; K487-F489 VanDerWaalsContact O-CE2 3.31Å; K487-F489 WeakPolarHBondContact O-CE2 3.29Å
488	A	82.7	Confident	81.3	Confident	32 Å²	32	72.5 Å²	72.5	26%	0.264	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.9	-173.6	0	0	0	0	0	112.5	K478 Y480 K481 G486	K478-A488 HydrophobicContact CB-CB 3.54Å; K478-A488 HydrophobicContact CD-CB 4.2Å; K478-A488 WeakPolarHBondContact CD-O 3.37Å; K478-A488 HydrophobicContact CG-CB 4.4Å; Y480-A488 CarbonylContact O-C 3.55Å; Y480-A488 WeakPolarHBondContact O-CA 3.29Å; K481-A488 HydrophobicContact CG-CB 4.03Å; G486-A488 PolarHBondContact O-N 3.31Å
489	F	80.7	Confident	81.4	Confident	44 Å²	44	70 Å²	70	19%	0.193	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.4	-172.1	-59.2	-91.4	0	0	0	111.8	K478 S479 Y480 C482 K487 K494 L495 H498	K478-F489 CarbonylContact C-O 3.59Å; K478-F489 VanDerWaalsContact C-O 3.3Å; K478-F489 WeakPolarHBondContact CA-O 3.43Å; S479-F489 PolarHBondContact N-O 3.04Å; Y480-F489 WeakPolarHBondContact CD2-O 3.29Å; Y480-F489 PolarHBondContact N-O 3.37Å; Y480-F489 VanDerWaalsContact N-O 3.12Å; Y480-F489 PolarHBondContact O-N 3.16Å; C482-F489 HydrophobicContact CB-CE2 4.49Å; K487-F489 HydrophobicContact CB-CE2 3.93Å; K487-F489 HydrophobicContact CB-CZ 4.13Å; K487-F489 VanDerWaalsContact O-CE2 3.31Å; K487-F489 WeakPolarHBondContact O-CE2 3.29Å; F489-K494 HydrophobicContact CB-CB 4.32Å; F489-K494 HydrophobicContact CD1-CB 3.95Å; F489-K494 HydrophobicContact CG-CB 4.38Å; F489-L495 HydrophobicContact CD2-CB 4.11Å; F489-L495 HydrophobicContact CD2-CD1 4.1Å; F489-L495 HydrophobicContact CE2-CD1 4.31Å; F489-H498 HydrophobicContact CE1-CB 4.15Å; F489-H498 HydrophobicContact CE2-CB 3.85Å; F489-H498 AromaticContact CE2-CD2 3.32Å; F489-H498 WeakPolarHBondContact CE2-CD2 3.49Å; F489-H498 AromaticContact CE2-CG 3.72Å; F489-H498 HydrophobicContact CZ-CB 3.53Å; F489-H498 AromaticContact CZ-CD2 3.36Å; F489-H498 WeakPolarHBondContact CZ-CD2 3.35Å; F489-H498 AromaticContact CZ-CG 3.35Å
490	Y	76.6	Confident	81.4	Confident	76 Å²	76	71.1 Å²	71.1	30%	0.298	36%	0.362	S	S	.	.	S	Bend	trans	-85.2	-11.1	179.9	62.2	-83.2	0	0	0	113.7
491	R	79.3	Confident	81.1	Confident	90 Å²	90	71.7 Å²	71.7	34%	0.34	37%	0.369	S	S	.	.	S	Bend	trans	-137.8	136.7	177.6	-75.9	175	-179.8	168.3	-0.3	110.8	T469 S493 K494 L495	T469-R491 PolarHBondContact OG1-NE 3.2Å; T469-R491 PolarHBondContact OG1-NH2 2.87Å; R491-S493 VanDerWaalsContact C-N 3.32Å; R491-S493 PolarHBondContact O-N 2.82Å; R491-K494 PolarHBondContact O-N 3.3Å; R491-L495 PolarHBondContact O-N 3.14Å
492	S	82.1	Confident	80.6	Confident	62 Å²	62	69.1 Å²	69.1	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-57.7	-41.3	177.7	50.9	0	0	0	0	112.6	Y480 K494 L495 T496	Y480-S492 VanDerWaalsContact CE2-N 3.3Å; S492-K494 PolarHBondContact O-N 3.14Å; S492-L495 WeakPolarHBondContact O-CA 3.35Å; S492-L495 WeakPolarHBondContact O-CB 3.34Å; S492-L495 PolarHBondContact O-N 3.32Å; S492-T496 PolarHBondContact O-N 3.49Å; S492-T496 PolarHBondContact O-OG1 2.97Å; S492-T496 VanDerWaalsContact O-OG1 3.14Å
493	S	82.6	Confident	79.7	Confident	72 Å²	72	72.9 Å²	72.9	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-59.7	-30.4	176.8	55	0	0	0	0	113.4	R491 E497	R491-S493 VanDerWaalsContact C-N 3.32Å; R491-S493 PolarHBondContact O-N 2.82Å; S493-E497 VanDerWaalsContact O-CB 3.22Å; S493-E497 WeakPolarHBondContact O-CB 3.43Å; S493-E497 PolarHBondContact O-N 3.32Å
494	K	82.1	Confident	78.6	Confident	72 Å²	72	76 Å²	76	31%	0.313	39%	0.387	S	S	.	.	H	α-helix	trans	-77.2	-27.9	173.6	-73	-52.6	-165.4	-175.9	0	113.2	F489 R491 S492 E497 H498	F489-K494 HydrophobicContact CB-CB 4.32Å; F489-K494 HydrophobicContact CD1-CB 3.95Å; F489-K494 HydrophobicContact CG-CB 4.38Å; R491-K494 PolarHBondContact O-N 3.3Å; S492-K494 PolarHBondContact O-N 3.14Å; K494-E497 VanDerWaalsContact CD-OE2 3.27Å; K494-E497 WeakPolarHBondContact CD-OE2 3.44Å; K494-E497 WeakPolarHBondContact CE-OE2 3.37Å; K494-E497 IonicContact NZ-OE1 3.23Å; K494-E497 PolarHBondContact NZ-OE1 3.31Å; K494-E497 IonicContact NZ-OE2 3.99Å; K494-E497 PolarHBondContact NZ-OE2 3.13Å; K494-H498 VanDerWaalsContact O-CB 3.28Å; K494-H498 WeakPolarHBondContact O-CB 3.25Å; K494-H498 PolarHBondContact O-N 3.11Å
495	L	84.3	Confident	77.5	Confident	26 Å²	26	75.3 Å²	75.3	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-68.2	-45.8	166.2	172.9	63.9	0	0	0	111.4	K481 C482 F489 R491 S492 E497 H498 K499	K481-L495 VanDerWaalsContact O-CD1 3.29Å; K481-L495 WeakPolarHBondContact O-CD1 3.43Å; K481-L495 WeakPolarHBondContact O-CD2 3.38Å; C482-L495 HydrophobicContact CB-CD1 3.44Å; C482-L495 VanDerWaalsContact CB-CD1 3.44Å; F489-L495 HydrophobicContact CD2-CB 4.11Å; F489-L495 HydrophobicContact CD2-CD1 4.1Å; F489-L495 HydrophobicContact CE2-CD1 4.31Å; R491-L495 PolarHBondContact O-N 3.14Å; S492-L495 WeakPolarHBondContact O-CA 3.35Å; S492-L495 WeakPolarHBondContact O-CB 3.34Å; S492-L495 PolarHBondContact O-N 3.32Å; L495-E497 VanDerWaalsContact C-N 3.3Å; L495-E497 PolarHBondContact O-N 2.98Å; L495-H498 WeakPolarHBondContact O-CB 3.4Å; L495-H498 PolarHBondContact O-N 3.04Å; L495-H498 VanDerWaalsContact O-N 3.1Å; L495-K499 HydrophobicContact CD1-CG 4.32Å; L495-K499 PolarHBondContact O-N 3.12Å
496	T	82.3	Confident	76.6	Confident	87 Å²	87	78.5 Å²	78.5	53%	0.534	39%	0.393	S	S	.	.	H	α-helix	trans	-61.6	-39	176.9	-48.8	0	0	0	0	112	S492	S492-T496 PolarHBondContact O-N 3.49Å; S492-T496 PolarHBondContact O-OG1 2.97Å; S492-T496 VanDerWaalsContact O-OG1 3.14Å
497	E	78.2	Confident	76	Confident	69 Å²	69	83.4 Å²	83.4	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-43.2	171.3	-177	176.7	133.6	0	0	111.9	S493 K494 L495 K500 H519	S493-E497 VanDerWaalsContact O-CB 3.22Å; S493-E497 WeakPolarHBondContact O-CB 3.43Å; S493-E497 PolarHBondContact O-N 3.32Å; K494-E497 VanDerWaalsContact CD-OE2 3.27Å; K494-E497 WeakPolarHBondContact CD-OE2 3.44Å; K494-E497 WeakPolarHBondContact CE-OE2 3.37Å; K494-E497 IonicContact NZ-OE1 3.23Å; K494-E497 PolarHBondContact NZ-OE1 3.31Å; K494-E497 IonicContact NZ-OE2 3.99Å; K494-E497 PolarHBondContact NZ-OE2 3.13Å; L495-E497 VanDerWaalsContact C-N 3.3Å; L495-E497 PolarHBondContact O-N 2.98Å; E497-K500 PolarHBondContact O-N 3.34Å; E497-H519 IonicContact OE1-CE1 3.35Å
498	H	82.6	Confident	75.6	Confident	19 Å²	19	81.6 Å²	81.6	9%	0.088	38%	0.384	C	S	.	.	H	α-helix	trans	-66.6	-41.5	178.8	-178.8	46	0	0	0	113.6	C485 F489 K494 L495 K500 I501	C485-H498 PolarHBondContact SG-NE2 3.35Å; F489-H498 HydrophobicContact CE1-CB 4.15Å; F489-H498 HydrophobicContact CE2-CB 3.85Å; F489-H498 AromaticContact CE2-CD2 3.32Å; F489-H498 WeakPolarHBondContact CE2-CD2 3.49Å; F489-H498 AromaticContact CE2-CG 3.72Å; F489-H498 HydrophobicContact CZ-CB 3.53Å; F489-H498 AromaticContact CZ-CD2 3.36Å; F489-H498 WeakPolarHBondContact CZ-CD2 3.35Å; F489-H498 AromaticContact CZ-CG 3.35Å; K494-H498 VanDerWaalsContact O-CB 3.28Å; K494-H498 WeakPolarHBondContact O-CB 3.25Å; K494-H498 PolarHBondContact O-N 3.11Å; L495-H498 WeakPolarHBondContact O-CB 3.4Å; L495-H498 PolarHBondContact O-N 3.04Å; L495-H498 VanDerWaalsContact O-N 3.1Å; H498-K500 PolarHBondContact O-N 3.42Å; H498-K500 VanDerWaalsContact O-N 3.15Å; H498-I501 VanDerWaalsContact O-CB 3.24Å; H498-I501 WeakPolarHBondContact O-CB 3.34Å; H498-I501 WeakPolarHBondContact O-CG1 3.23Å; H498-I501 PolarHBondContact O-N 3.19Å
499	K	79.7	Confident	75.3	Confident	71 Å²	71	84 Å²	84	31%	0.309	40%	0.395	S	S	.	.	H	α-helix	trans	-58	-28.7	178.8	-78	-172.5	172	-110.3	0	113.2	E484 L495 I501 H502 T503	E484-K499 IonicContact OE1-NZ 2.72Å; E484-K499 PolarHBondContact OE1-NZ 2.71Å; L495-K499 HydrophobicContact CD1-CG 4.32Å; L495-K499 PolarHBondContact O-N 3.12Å; K499-I501 PolarHBondContact O-N 3.06Å; K499-I501 VanDerWaalsContact O-N 3.13Å; K499-H502 PolarHBondContact O-N 3.44Å; K499-T503 PolarHBondContact O-N 3.41Å; K499-T503 VanDerWaalsContact O-N 3.16Å
500	K	78.3	Confident	75.4	Confident	81 Å²	81	81.9 Å²	81.9	35%	0.352	39%	0.386	S	S	.	.	H	α-helix	trans	-63.9	-13.5	172.8	-61.7	-179.6	-179.1	-173.4	0	114.4	E497 H498	E497-K500 PolarHBondContact O-N 3.34Å; H498-K500 PolarHBondContact O-N 3.42Å; H498-K500 VanDerWaalsContact O-N 3.15Å
501	I	75.2	Confident	75.7	Confident	92 Å²	92	85.4 Å²	85.4	47%	0.472	41%	0.405	S	S	.	.	H	α-helix	trans	-79.2	-36.8	172.9	-54.3	-178.3	0	0	0	110.1	H498 K499	H498-I501 VanDerWaalsContact O-CB 3.24Å; H498-I501 WeakPolarHBondContact O-CB 3.34Å; H498-I501 WeakPolarHBondContact O-CG1 3.23Å; H498-I501 PolarHBondContact O-N 3.19Å; K499-I501 PolarHBondContact O-N 3.06Å; K499-I501 VanDerWaalsContact O-N 3.13Å
502	H	73.9	Confident	75.8	Confident	82 Å²	82	86 Å²	86	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-74.8	-43.3	178.8	-62	-53.8	0	0	0	112.3	E484 C485 K499 R504	E484-H502 WeakPolarHBondContact OE2-CB 3.28Å; E484-H502 IonicContact OE2-CD2 2.9Å; E484-H502 PolarHBondContact OE2-CD2 2.56Å; E484-H502 IonicContact OE2-CG 3.65Å; C485-H502 WeakPolarHBondContact CB-NE2 3.13Å; C485-H502 PolarHBondContact SG-NE2 2.89Å; K499-H502 PolarHBondContact O-N 3.44Å; H502-R504 PolarHBondContact O-N 3.23Å
503	T	66.6	Low	75.8	Confident	79 Å²	79	85.6 Å²	85.6	49%	0.485	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-3.8	179	63	0	0	0	0	114.3	K499 E505	K499-T503 PolarHBondContact O-N 3.41Å; K499-T503 VanDerWaalsContact O-N 3.16Å; T503-E505 PolarHBondContact O-N 3.48Å
504	R	60	Low	75.6	Confident	218 Å²	218	84.8 Å²	84.8	82%	0.823	41%	0.412	S	S	*	.			trans	54.2	4.5	-176.4	-74.9	-173.8	171.2	-170.7	-0.1	116.1	H502 K506	H502-R504 PolarHBondContact O-N 3.23Å; R504-K506 VanDerWaalsContact C-N 3.34Å; R504-K506 PolarHBondContact O-N 3.11Å
505	E	59.3	Low	75.5	Confident	83 Å²	83	87.3 Å²	87.3	39%	0.388	42%	0.423	S	S	.	.			trans	-65.1	84.6	-180	-69.1	-175.6	137.4	0	0	112.5	T503 R507	T503-E505 PolarHBondContact O-N 3.48Å; E505-R507 HydrophobicContact CB-CG 3.92Å; E505-R507 VanDerWaalsContact CD-NH2 3.26Å; E505-R507 PolarHBondContact O-N 2.85Å; E505-R507 IonicContact OE1-CZ 2.58Å; E505-R507 IonicContact OE1-NE 3.3Å; E505-R507 IonicContact OE1-NH2 2.65Å; E505-R507 PolarHBondContact OE1-NH2 3.38Å; E505-R507 IonicContact OE2-CZ 3.4Å; E505-R507 IonicContact OE2-NE 2.91Å; E505-R507 PolarHBondContact OE2-NE 2.79Å; E505-R507 IonicContact OE2-NH2 3.67Å; E505-R507 PolarHBondContact OE2-NH2 3.23Å
506	K	61.5	Low	75.2	Confident	113 Å²	113	87.2 Å²	87.2	49%	0.491	43%	0.426	S	S	.	.			trans	-77	64.3	170.4	-71.1	170.2	151.6	-133.2	0	110.5	R504 Y508 A516 F517	R504-K506 VanDerWaalsContact C-N 3.34Å; R504-K506 PolarHBondContact O-N 3.11Å; K506-Y508 PolarHBondContact O-N 3.27Å; K506-A516 HydrophobicContact CB-CB 3.55Å; K506-A516 HydrophobicContact CD-CB 4.1Å; K506-A516 WeakPolarHBondContact CD-O 3.36Å; K506-A516 WeakPolarHBondContact CE-O 3.13Å; K506-A516 HydrophobicContact CG-CB 4.42Å; K506-A516 PolarHBondContact NZ-O 3.39Å; K506-F517 CarbonylContact C-O 3.59Å; K506-F517 WeakPolarHBondContact CA-O 3.27Å
507	R	67.3	Low	75	Confident	159 Å²	159	85.3 Å²	85.3	60%	0.6	41%	0.41	S	S	*	.			trans	-60.1	-9.9	-172.1	-55.3	-170.4	-174.8	-157.9	-5.1	115.3	E505	E505-R507 HydrophobicContact CB-CG 3.92Å; E505-R507 VanDerWaalsContact CD-NH2 3.26Å; E505-R507 PolarHBondContact O-N 2.85Å; E505-R507 IonicContact OE1-CZ 2.58Å; E505-R507 IonicContact OE1-NE 3.3Å; E505-R507 IonicContact OE1-NH2 2.65Å; E505-R507 PolarHBondContact OE1-NH2 3.38Å; E505-R507 IonicContact OE2-CZ 3.4Å; E505-R507 IonicContact OE2-NE 2.91Å; E505-R507 PolarHBondContact OE2-NE 2.79Å; E505-R507 IonicContact OE2-NH2 3.67Å; E505-R507 PolarHBondContact OE2-NH2 3.23Å
508	Y	72.3	Confident	74.7	Confident	86 Å²	86	84.4 Å²	84.4	34%	0.337	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	85.8	-177	-58.7	-72.4	0	0	0	110.3	K506 F517 F520	K506-Y508 PolarHBondContact O-N 3.27Å; Y508-F517 PolarHBondContact N-O 2.86Å; Y508-F517 PolarHBondContact O-N 3.07Å; Y508-F520 HydrophobicContact CD1-CB 4.02Å; Y508-F520 AromaticContact CD1-CD2 3.84Å; Y508-F520 HydrophobicContact CD1-CD2 3.84Å; Y508-F520 HydrophobicContact CD1-CG 4.45Å; Y508-F520 HydrophobicContact CE1-CB 3.84Å; Y508-F520 AromaticContact CE1-CD2 3.96Å; Y508-F520 HydrophobicContact CE1-CD2 3.96Å; Y508-F520 HydrophobicContact CE1-CG 4.37Å; Y508-F520 HydrophobicContact CE2-CB 4.36Å; Y508-F520 HydrophobicContact CG-CB 4.34Å
509	T	75.8	Confident	74.3	Confident	82 Å²	82	86 Å²	86	50%	0.503	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	146.4	171.7	35.5	0	0	0	0	111.8	A516 L523	T509-A516 HydrophobicContact CG2-CB 3.79Å; T509-L523 VanDerWaalsContact O-CD2 3.28Å; T509-L523 WeakPolarHBondContact O-CD2 3.39Å
510	C	84.1	Confident	74.2	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	43%	0.426	C	S	.	.			trans	-92.8	118.1	163.9	-173.7	0	0	0	0	108.6	E512 G514 K515 L523 H530	C510-E512 VanDerWaalsContact C-N 3.28Å; C510-E512 PolarHBondContact O-N 3.37Å; C510-G514 WeakPolarHBondContact O-CA 3.44Å; C510-G514 PolarHBondContact O-N 2.92Å; C510-K515 WeakPolarHBondContact CB-O 3.29Å; C510-K515 PolarHBondContact N-O 3.47Å; C510-L523 HydrophobicContact CB-CD1 3.64Å; C510-H530 VanDerWaalsContact SG-CD2 3.58Å; C510-H530 PolarHBondContact SG-NE2 3.45Å; C510-H530 VanDerWaalsContact SG-NE2 3.35Å
511	E	81.8	Confident	74.2	Confident	151 Å²	151	87.9 Å²	87.9	71%	0.706	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-38.7	178.8	-61.2	102.4	154.2	0	0	111.8	C513 K527	E511-C513 VanDerWaalsContact C-N 3.29Å; E511-C513 PolarHBondContact O-N 3.4Å; E511-K527 WeakPolarHBondContact OE2-CE 3.37Å; E511-K527 IonicContact OE2-NZ 2.67Å; E511-K527 PolarHBondContact OE2-NZ 2.84Å
512	E	81.1	Confident	74.4	Confident	103 Å²	103	88.3 Å²	88.3	48%	0.481	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.2	-173.6	-61.9	150.2	124.7	0	0	115	C510 H530	C510-E512 VanDerWaalsContact C-N 3.28Å; C510-E512 PolarHBondContact O-N 3.37Å; E512-H530 IonicContact OE2-CD2 3.64Å; E512-H530 PolarHBondContact OE2-CD2 3.17Å
513	C	82.9	Confident	74.8	Confident	52 Å²	52	85.1 Å²	85.1	35%	0.351	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.5	15.6	179.5	69.5	0	0	0	0	115.6	E511 K515 H526 H530	E511-C513 VanDerWaalsContact C-N 3.29Å; E511-C513 PolarHBondContact O-N 3.4Å; C513-K515 PolarHBondContact O-N 2.87Å; C513-H526 PolarHBondContact SG-NE2 3.4Å; C513-H530 PolarHBondContact SG-CE1 3.02Å; C513-H530 PolarHBondContact SG-NE2 3.01Å
514	G	78.4	Confident	75.4	Confident	56 Å²	56	84.6 Å²	84.6	58%	0.577	41%	0.414	S	S	*	.			trans	66.1	-6.7	178.8	0	0	0	0	0	116.6	C510 A516	C510-G514 WeakPolarHBondContact O-CA 3.44Å; C510-G514 PolarHBondContact O-N 2.92Å; G514-A516 PolarHBondContact O-N 2.98Å
515	K	79.9	Confident	76.3	Confident	124 Å²	124	77 Å²	77	54%	0.539	39%	0.391	S	S	.	.			trans	-65	120.2	-176.5	-72.6	175.3	-172.3	161.2	0	110.7	C510 C513 F517	C510-K515 WeakPolarHBondContact CB-O 3.29Å; C510-K515 PolarHBondContact N-O 3.47Å; C513-K515 PolarHBondContact O-N 2.87Å; K515-F517 HydrophobicContact CB-CE2 3.77Å; K515-F517 HydrophobicContact CB-CZ 4.11Å; K515-F517 VanDerWaalsContact O-CD2 3.29Å; K515-F517 WeakPolarHBondContact O-CD2 3.2Å; K515-F517 WeakPolarHBondContact O-CE2 3.48Å
516	A	78.3	Confident	77.5	Confident	24 Å²	24	73.7 Å²	73.7	20%	0.198	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.8	-175.8	0	0	0	0	0	112.3	K506 T509 G514	K506-A516 HydrophobicContact CB-CB 3.55Å; K506-A516 HydrophobicContact CD-CB 4.1Å; K506-A516 WeakPolarHBondContact CD-O 3.36Å; K506-A516 WeakPolarHBondContact CE-O 3.13Å; K506-A516 HydrophobicContact CG-CB 4.42Å; K506-A516 PolarHBondContact NZ-O 3.39Å; T509-A516 HydrophobicContact CG2-CB 3.79Å; G514-A516 PolarHBondContact O-N 2.98Å
517	F	78.7	Confident	78.4	Confident	47 Å²	47	71.7 Å²	71.7	21%	0.206	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.8	-169.7	-63.4	-94.3	0	0	0	112.6	K506 Y508 K515 H519 H522 L523 H526	K506-F517 CarbonylContact C-O 3.59Å; K506-F517 WeakPolarHBondContact CA-O 3.27Å; Y508-F517 PolarHBondContact N-O 2.86Å; Y508-F517 PolarHBondContact O-N 3.07Å; K515-F517 HydrophobicContact CB-CE2 3.77Å; K515-F517 HydrophobicContact CB-CZ 4.11Å; K515-F517 VanDerWaalsContact O-CD2 3.29Å; K515-F517 WeakPolarHBondContact O-CD2 3.2Å; K515-F517 WeakPolarHBondContact O-CE2 3.48Å; F517-H519 VanDerWaalsContact C-N 3.31Å; F517-H522 HydrophobicContact CB-CB 4.45Å; F517-H522 HydrophobicContact CD1-CB 3.85Å; F517-H522 HydrophobicContact CG-CB 4.43Å; F517-L523 HydrophobicContact CB-CB 4.48Å; F517-L523 HydrophobicContact CD2-CB 4.24Å; F517-L523 HydrophobicContact CD2-CD1 4.12Å; F517-L523 HydrophobicContact CE2-CD1 4.35Å; F517-L523 HydrophobicContact CG-CB 4.48Å; F517-H526 HydrophobicContact CE1-CB 4.22Å; F517-H526 HydrophobicContact CE2-CB 4.08Å; F517-H526 AromaticContact CE2-CD2 3.2Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.47Å; F517-H526 AromaticContact CE2-CG 3.76Å; F517-H526 AromaticContact CE2-NE2 3.97Å; F517-H526 HydrophobicContact CZ-CB 3.68Å; F517-H526 AromaticContact CZ-CD2 3.29Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.41Å; F517-H526 AromaticContact CZ-CG 3.39Å; F517-H526 AromaticContact CZ-NE2 3.95Å
518	N	72.3	Confident	79	Confident	50 Å²	50	65.1 Å²	65.1	27%	0.267	35%	0.345	S	S	.	.	S	Bend	trans	-78.4	-15.8	178.4	-49.8	45.3	0	0	0	112.5
519	H	73.3	Confident	79.3	Confident	53 Å²	53	65.9 Å²	65.9	25%	0.245	35%	0.354	C	S	.	.			trans	-139.4	136.1	-174.3	-69.8	-95.9	0	0	0	111.8	E497 F517 S521 H522 L523	E497-H519 IonicContact OE1-CE1 3.35Å; F517-H519 VanDerWaalsContact C-N 3.31Å; H519-S521 VanDerWaalsContact C-N 3.31Å; H519-S521 PolarHBondContact O-N 3.37Å; H519-H522 HydrophobicContact CB-CB 4.33Å; H519-H522 PolarHBondContact O-N 2.88Å; H519-H522 VanDerWaalsContact O-N 3.15Å; H519-L523 PolarHBondContact O-N 3.36Å
520	F	76.6	Confident	79.4	Confident	126 Å²	126	65.4 Å²	65.4	55%	0.553	35%	0.346	S	S	*	.	H	α-helix	trans	-57.5	-41.7	173.7	-174.9	-98	0	0	0	112.2	Y508 H522 L523 T524	Y508-F520 HydrophobicContact CD1-CB 4.02Å; Y508-F520 AromaticContact CD1-CD2 3.84Å; Y508-F520 HydrophobicContact CD1-CD2 3.84Å; Y508-F520 HydrophobicContact CD1-CG 4.45Å; Y508-F520 HydrophobicContact CE1-CB 3.84Å; Y508-F520 AromaticContact CE1-CD2 3.96Å; Y508-F520 HydrophobicContact CE1-CD2 3.96Å; Y508-F520 HydrophobicContact CE1-CG 4.37Å; Y508-F520 HydrophobicContact CE2-CB 4.36Å; Y508-F520 HydrophobicContact CG-CB 4.34Å; F520-H522 VanDerWaalsContact C-N 3.27Å; F520-H522 PolarHBondContact O-N 3.27Å; F520-L523 CarbonylContact O-C 3.59Å; F520-L523 WeakPolarHBondContact O-CA 3.38Å; F520-L523 WeakPolarHBondContact O-CB 3.13Å; F520-L523 PolarHBondContact O-N 3.29Å; F520-L523 VanDerWaalsContact O-N 3.09Å; F520-T524 WeakPolarHBondContact CE1-OG1 3.24Å; F520-T524 PolarHBondContact O-N 3.29Å; F520-T524 PolarHBondContact O-OG1 3.49Å
521	S	78.4	Confident	79.1	Confident	66 Å²	66	68.9 Å²	68.9	46%	0.462	37%	0.367	S	S	.	.	H	α-helix	trans	-58.5	-36.6	177.1	51.8	0	0	0	0	113.4	H519 T524 T525	H519-S521 VanDerWaalsContact C-N 3.31Å; H519-S521 PolarHBondContact O-N 3.37Å; S521-T524 PolarHBondContact O-N 3.45Å; S521-T525 PolarHBondContact O-N 3.07Å; S521-T525 PolarHBondContact O-OG1 3.16Å
522	H	80.3	Confident	78.5	Confident	101 Å²	101	63.9 Å²	63.9	47%	0.468	36%	0.356	S	S	.	.	H	α-helix	trans	-71.2	-39.9	176.2	-64.5	172.1	0	0	0	111.3	F517 H519 F520 T525 H526	F517-H522 HydrophobicContact CB-CB 4.45Å; F517-H522 HydrophobicContact CD1-CB 3.85Å; F517-H522 HydrophobicContact CG-CB 4.43Å; H519-H522 HydrophobicContact CB-CB 4.33Å; H519-H522 PolarHBondContact O-N 2.88Å; H519-H522 VanDerWaalsContact O-N 3.15Å; F520-H522 VanDerWaalsContact C-N 3.27Å; F520-H522 PolarHBondContact O-N 3.27Å; H522-T525 WeakPolarHBondContact CA-OG1 3.18Å; H522-T525 PolarHBondContact O-N 3.26Å; H522-T525 PolarHBondContact O-OG1 2.99Å; H522-H526 VanDerWaalsContact O-CB 3.27Å; H522-H526 WeakPolarHBondContact O-CB 3.49Å; H522-H526 PolarHBondContact O-N 3.05Å
523	L	81.8	Confident	78.2	Confident	14 Å²	14	63.1 Å²	63.1	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-44.3	170.8	174.8	62.3	0	0	0	111.3	T509 C510 F517 H519 F520 T525 H526 K527	T509-L523 VanDerWaalsContact O-CD2 3.28Å; T509-L523 WeakPolarHBondContact O-CD2 3.39Å; C510-L523 HydrophobicContact CB-CD1 3.64Å; F517-L523 HydrophobicContact CB-CB 4.48Å; F517-L523 HydrophobicContact CD2-CB 4.24Å; F517-L523 HydrophobicContact CD2-CD1 4.12Å; F517-L523 HydrophobicContact CE2-CD1 4.35Å; F517-L523 HydrophobicContact CG-CB 4.48Å; H519-L523 PolarHBondContact O-N 3.36Å; F520-L523 CarbonylContact O-C 3.59Å; F520-L523 WeakPolarHBondContact O-CA 3.38Å; F520-L523 WeakPolarHBondContact O-CB 3.13Å; F520-L523 PolarHBondContact O-N 3.29Å; F520-L523 VanDerWaalsContact O-N 3.09Å; L523-T525 PolarHBondContact O-N 3.25Å; L523-H526 CarbonylContact O-C 3.2Å; L523-H526 WeakPolarHBondContact O-CA 3.4Å; L523-H526 WeakPolarHBondContact O-CB 3.48Å; L523-H526 PolarHBondContact O-N 3Å; L523-K527 HydrophobicContact CD1-CG 4.23Å; L523-K527 PolarHBondContact O-N 2.91Å
524	T	80	Confident	77.8	Confident	68 Å²	68	67.1 Å²	67.1	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-51.1	175.8	-45.9	0	0	0	0	111	F520 S521 H526 K527 V528	F520-T524 WeakPolarHBondContact CE1-OG1 3.24Å; F520-T524 PolarHBondContact O-N 3.29Å; F520-T524 PolarHBondContact O-OG1 3.49Å; S521-T524 PolarHBondContact O-N 3.45Å; T524-H526 PolarHBondContact O-N 3.47Å; T524-H526 VanDerWaalsContact O-N 3.15Å; T524-K527 PolarHBondContact O-N 3.37Å; T524-V528 WeakPolarHBondContact O-CG2 3.17Å
525	T	79.5	Confident	77.7	Confident	58 Å²	58	70.2 Å²	70.2	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-14.4	176.1	54.8	0	0	0	0	114.2	S521 H522 L523	S521-T525 PolarHBondContact O-N 3.07Å; S521-T525 PolarHBondContact O-OG1 3.16Å; H522-T525 WeakPolarHBondContact CA-OG1 3.18Å; H522-T525 PolarHBondContact O-N 3.26Å; H522-T525 PolarHBondContact O-OG1 2.99Å; L523-T525 PolarHBondContact O-N 3.25Å
526	H	83.3	Confident	77.7	Confident	15 Å²	15	68.9 Å²	68.9	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-89.4	-39	176.6	176.3	45.7	0	0	0	112.6	C513 F517 H522 L523 T524 V528 I529 H530	C513-H526 PolarHBondContact SG-NE2 3.4Å; F517-H526 HydrophobicContact CE1-CB 4.22Å; F517-H526 HydrophobicContact CE2-CB 4.08Å; F517-H526 AromaticContact CE2-CD2 3.2Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.47Å; F517-H526 AromaticContact CE2-CG 3.76Å; F517-H526 AromaticContact CE2-NE2 3.97Å; F517-H526 HydrophobicContact CZ-CB 3.68Å; F517-H526 AromaticContact CZ-CD2 3.29Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.41Å; F517-H526 AromaticContact CZ-CG 3.39Å; F517-H526 AromaticContact CZ-NE2 3.95Å; H522-H526 VanDerWaalsContact O-CB 3.27Å; H522-H526 WeakPolarHBondContact O-CB 3.49Å; H522-H526 PolarHBondContact O-N 3.05Å; L523-H526 CarbonylContact O-C 3.2Å; L523-H526 WeakPolarHBondContact O-CA 3.4Å; L523-H526 WeakPolarHBondContact O-CB 3.48Å; L523-H526 PolarHBondContact O-N 3Å; T524-H526 PolarHBondContact O-N 3.47Å; T524-H526 VanDerWaalsContact O-N 3.15Å; H526-V528 PolarHBondContact O-N 2.81Å; H526-I529 WeakPolarHBondContact O-CA 3.5Å; H526-I529 WeakPolarHBondContact O-CB 3.46Å; H526-I529 WeakPolarHBondContact O-CG1 3.03Å; H526-I529 PolarHBondContact O-N 3.11Å; H526-H530 AromaticContact CD2-NE2 3.93Å; H526-H530 AromaticContact CE1-CE1 3.71Å; H526-H530 AromaticContact CE1-NE2 3.32Å; H526-H530 PolarHBondContact CE1-NE2 2.84Å; H526-H530 VanDerWaalsContact CE1-NE2 3.32Å; H526-H530 AromaticContact NE2-CE1 3.91Å; H526-H530 AromaticContact NE2-NE2 3.19Å; H526-H530 PolarHBondContact NE2-NE2 2.87Å; H526-H530 VanDerWaalsContact NE2-NE2 3.19Å
527	K	79.8	Confident	77.9	Confident	70 Å²	70	73.5 Å²	73.5	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-33.1	174.3	-72.7	-153.6	169.6	-160.5	0	112.5	E511 L523 T524 I529 H530 T531	E511-K527 WeakPolarHBondContact OE2-CE 3.37Å; E511-K527 IonicContact OE2-NZ 2.67Å; E511-K527 PolarHBondContact OE2-NZ 2.84Å; L523-K527 HydrophobicContact CD1-CG 4.23Å; L523-K527 PolarHBondContact O-N 2.91Å; T524-K527 PolarHBondContact O-N 3.37Å; K527-I529 PolarHBondContact O-N 3.18Å; K527-H530 PolarHBondContact O-N 3.1Å; K527-T531 PolarHBondContact O-N 2.78Å
528	V	80.5	Confident	78.3	Confident	21 Å²	21	71.3 Å²	71.3	13%	0.127	36%	0.361	C	S	.	.	H	α-helix	trans	-59.8	-16.3	171.7	-177.1	0	0	0	0	113.5	T524 H526 T531 G532 E533 F535 N546	T524-V528 WeakPolarHBondContact O-CG2 3.17Å; H526-V528 PolarHBondContact O-N 2.81Å; V528-T531 WeakPolarHBondContact CA-OG1 3.46Å; V528-G532 PolarHBondContact O-N 3.46Å; V528-E533 HydrophobicContact CG1-CB 4.33Å; V528-E533 WeakPolarHBondContact CG1-O 3.09Å; V528-F535 HydrophobicContact CG1-CD2 4.31Å; V528-F535 HydrophobicContact CG1-CE2 3.84Å; V528-F535 HydrophobicContact CG2-CE2 4.01Å; V528-N546 HydrophobicContact CG1-CB 3.7Å
529	I	78.6	Confident	78.9	Confident	102 Å²	102	76.3 Å²	76.3	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-78.6	-31	172.1	-55.3	-179.2	0	0	0	111.2	H526 K527	H526-I529 WeakPolarHBondContact O-CA 3.5Å; H526-I529 WeakPolarHBondContact O-CB 3.46Å; H526-I529 WeakPolarHBondContact O-CG1 3.03Å; H526-I529 PolarHBondContact O-N 3.11Å; K527-I529 PolarHBondContact O-N 3.18Å
530	H	78.3	Confident	79.4	Confident	72 Å²	72	78.6 Å²	78.6	33%	0.333	39%	0.394	S	S	.	.	H	α-helix	trans	-83.6	-40.8	178.7	-55.4	-53.4	0	0	0	112	C510 E512 C513 H526 K527 G532	C510-H530 VanDerWaalsContact SG-CD2 3.58Å; C510-H530 PolarHBondContact SG-NE2 3.45Å; C510-H530 VanDerWaalsContact SG-NE2 3.35Å; E512-H530 IonicContact OE2-CD2 3.64Å; E512-H530 PolarHBondContact OE2-CD2 3.17Å; C513-H530 PolarHBondContact SG-CE1 3.02Å; C513-H530 PolarHBondContact SG-NE2 3.01Å; H526-H530 AromaticContact CD2-NE2 3.93Å; H526-H530 AromaticContact CE1-CE1 3.71Å; H526-H530 AromaticContact CE1-NE2 3.32Å; H526-H530 PolarHBondContact CE1-NE2 2.84Å; H526-H530 VanDerWaalsContact CE1-NE2 3.32Å; H526-H530 AromaticContact NE2-CE1 3.91Å; H526-H530 AromaticContact NE2-NE2 3.19Å; H526-H530 PolarHBondContact NE2-NE2 2.87Å; H526-H530 VanDerWaalsContact NE2-NE2 3.19Å; K527-H530 PolarHBondContact O-N 3.1Å; H530-G532 PolarHBondContact O-N 3.28Å
531	T	76.8	Confident	79.8	Confident	74 Å²	74	75 Å²	75	45%	0.454	38%	0.384	S	S	.	.	S	Bend	trans	-69.9	-17.5	172.7	65.3	0	0	0	0	112.9	K527 V528 E533	K527-T531 PolarHBondContact O-N 2.78Å; V528-T531 WeakPolarHBondContact CA-OG1 3.46Å; T531-E533 WeakPolarHBondContact CB-OE2 3.19Å; T531-E533 PolarHBondContact O-N 3.47Å; T531-E533 VanDerWaalsContact O-N 3.17Å; T531-E533 WeakPolarHBondContact OG1-CG 3.45Å; T531-E533 PolarHBondContact OG1-OE2 3.07Å
532	G	69.7	Low	79.8	Confident	45 Å²	45	73.7 Å²	73.7	46%	0.464	38%	0.381	S	S	.	.			trans	70.9	2.3	-179.5	0	0	0	0	0	114.8	V528 H530	V528-G532 PolarHBondContact O-N 3.46Å; H530-G532 PolarHBondContact O-N 3.28Å
533	E	74.9	Confident	79.9	Confident	87 Å²	87	74.9 Å²	74.9	41%	0.407	39%	0.385	S	S	.	.			trans	-65.2	133.5	-172.2	-66.3	167.5	111.7	0	0	112.5	V528 T531 F535	V528-E533 HydrophobicContact CG1-CB 4.33Å; V528-E533 WeakPolarHBondContact CG1-O 3.09Å; T531-E533 WeakPolarHBondContact CB-OE2 3.19Å; T531-E533 PolarHBondContact O-N 3.47Å; T531-E533 VanDerWaalsContact O-N 3.17Å; T531-E533 WeakPolarHBondContact OG1-CG 3.45Å; T531-E533 PolarHBondContact OG1-OE2 3.07Å; E533-F535 HydrophobicContact CB-CD2 4.43Å; E533-F535 HydrophobicContact CB-CE1 3.97Å; E533-F535 HydrophobicContact CB-CE2 3.74Å; E533-F535 HydrophobicContact CB-CZ 3.48Å; E533-F535 VanDerWaalsContact CB-CZ 3.48Å; E533-F535 VanDerWaalsContact CD-CZ 3.47Å; E533-F535 HydrophobicContact CG-CE1 4.43Å; E533-F535 HydrophobicContact CG-CZ 4.05Å
534	K	74	Confident	80	Confident	136 Å²	136	75.8 Å²	75.8	59%	0.591	39%	0.394	S	S	*	.			trans	-124.3	68.5	-174.7	-70.9	162.2	-178.4	169	0	110.8	Y536 A544 F545	K534-Y536 PolarHBondContact O-N 3.4Å; K534-A544 HydrophobicContact CB-CB 3.52Å; K534-A544 HydrophobicContact CD-CB 4.23Å; K534-A544 WeakPolarHBondContact CD-O 3.18Å; K534-A544 HydrophobicContact CG-CB 4.4Å; K534-F545 CarbonylContact C-O 3.52Å; K534-F545 VanDerWaalsContact C-O 3.29Å; K534-F545 WeakPolarHBondContact CA-O 3.13Å
535	F	76.3	Confident	80.1	Confident	121 Å²	121	74.9 Å²	74.9	53%	0.531	39%	0.385	S	S	.	.			trans	-57.8	-16.4	-175.6	-51.4	-72.1	0	0	0	115.8	V528 E533 F545	V528-F535 HydrophobicContact CG1-CD2 4.31Å; V528-F535 HydrophobicContact CG1-CE2 3.84Å; V528-F535 HydrophobicContact CG2-CE2 4.01Å; E533-F535 HydrophobicContact CB-CD2 4.43Å; E533-F535 HydrophobicContact CB-CE1 3.97Å; E533-F535 HydrophobicContact CB-CE2 3.74Å; E533-F535 HydrophobicContact CB-CZ 3.48Å; E533-F535 VanDerWaalsContact CB-CZ 3.48Å; E533-F535 VanDerWaalsContact CD-CZ 3.47Å; E533-F535 HydrophobicContact CG-CE1 4.43Å; E533-F535 HydrophobicContact CG-CZ 4.05Å; F535-F545 PolarHBondContact N-O 3.03Å
536	Y	80.4	Confident	80	Confident	96 Å²	96	74.3 Å²	74.3	38%	0.376	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	87.6	-173.1	-57.9	-78.9	0	0	0	111	K534 A544 F545 Q547	K534-Y536 PolarHBondContact O-N 3.4Å; Y536-A544 WeakPolarHBondContact O-CA 3.39Å; Y536-F545 WeakPolarHBondContact CB-O 3.41Å; Y536-F545 PolarHBondContact N-O 3.28Å; Y536-F545 PolarHBondContact O-N 3.47Å; Y536-Q547 VanDerWaalsContact CD2-C 3.46Å
537	Q	82.6	Confident	79.9	Confident	122 Å²	122	76.7 Å²	76.7	57%	0.57	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	146.1	178.1	-163.9	167.6	22.8	0	0	112.7	G542 A544 L551	Q537-G542 WeakPolarHBondContact CG-O 3.38Å; Q537-G542 PolarHBondContact NE2-O 3.46Å; Q537-A544 HydrophobicContact CB-CB 4.16Å; Q537-A544 HydrophobicContact CG-CB 4.14Å; Q537-L551 VanDerWaalsContact O-CD2 3.28Å; Q537-L551 WeakPolarHBondContact O-CD2 3.46Å
538	C	87.4	Confident	80	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.397	C	S	.	.			trans	-91.8	118.1	167.9	-178.8	0	0	0	0	109.7	E540 G542 K543 L551 H558	C538-E540 PolarHBondContact O-N 3.38Å; C538-G542 VanDerWaalsContact O-CA 3.3Å; C538-G542 WeakPolarHBondContact O-CA 3.41Å; C538-G542 PolarHBondContact O-N 2.62Å; C538-K543 WeakPolarHBondContact CB-O 3.31Å; C538-K543 PolarHBondContact N-O 3.38Å; C538-L551 HydrophobicContact CB-CD1 3.58Å; C538-H558 PolarHBondContact SG-NE2 2.8Å
539	E	84.8	Confident	80.2	Confident	156 Å²	156	78.2 Å²	78.2	73%	0.729	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.9	179.2	-58.2	103.3	152.9	0	0	112.3	C541 K555	E539-C541 PolarHBondContact O-N 3.24Å; E539-K555 WeakPolarHBondContact OE2-CE 3.29Å; E539-K555 IonicContact OE2-NZ 3.54Å; E539-K555 PolarHBondContact OE2-NZ 3.21Å
540	E	83.3	Confident	80.6	Confident	100 Å²	100	76.1 Å²	76.1	47%	0.467	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.7	-172	-62.7	154.2	-105.8	0	0	114.3	C538 K555 H558	C538-E540 PolarHBondContact O-N 3.38Å; E540-K555 IonicContact OE1-NZ 2.89Å; E540-K555 PolarHBondContact OE1-NZ 3Å; E540-H558 WeakPolarHBondContact OE2-CB 3.32Å; E540-H558 IonicContact OE2-CD2 2.96Å; E540-H558 IonicContact OE2-CG 2.68Å
541	C	84.5	Confident	80.9	Confident	51 Å²	51	73.9 Å²	73.9	35%	0.345	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.6	14.6	179.2	72.1	0	0	0	0	115.2	E539 K543 H554 H558	E539-C541 PolarHBondContact O-N 3.24Å; C541-K543 PolarHBondContact O-N 2.92Å; C541-H554 PolarHBondContact SG-NE2 3.01Å; C541-H558 PolarHBondContact SG-NE2 3.29Å
542	G	80.1	Confident	81.3	Confident	39 Å²	39	74.4 Å²	74.4	40%	0.402	40%	0.397	S	S	.	.			trans	67.3	-9.1	178.6	0	0	0	0	0	116.2	Q537 C538 A544	Q537-G542 WeakPolarHBondContact CG-O 3.38Å; Q537-G542 PolarHBondContact NE2-O 3.46Å; C538-G542 VanDerWaalsContact O-CA 3.3Å; C538-G542 WeakPolarHBondContact O-CA 3.41Å; C538-G542 PolarHBondContact O-N 2.62Å; G542-A544 PolarHBondContact O-N 3.12Å
543	K	82.1	Confident	82.1	Confident	126 Å²	126	77.1 Å²	77.1	55%	0.548	39%	0.393	S	S	.	.			trans	-66.4	124.7	-175.4	-72.1	177	-177.3	168.9	0	111.3	C538 C541 F545	C538-K543 WeakPolarHBondContact CB-O 3.31Å; C538-K543 PolarHBondContact N-O 3.38Å; C541-K543 PolarHBondContact O-N 2.92Å; K543-F545 HydrophobicContact CB-CE2 4.05Å; K543-F545 HydrophobicContact CB-CZ 4.25Å; K543-F545 WeakPolarHBondContact O-CE2 3.24Å
544	A	82.4	Confident	82.6	Confident	32 Å²	32	73.9 Å²	73.9	26%	0.264	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.1	-175	0	0	0	0	0	113	K534 Y536 Q537 G542	K534-A544 HydrophobicContact CB-CB 3.52Å; K534-A544 HydrophobicContact CD-CB 4.23Å; K534-A544 WeakPolarHBondContact CD-O 3.18Å; K534-A544 HydrophobicContact CG-CB 4.4Å; Y536-A544 WeakPolarHBondContact O-CA 3.39Å; Q537-A544 HydrophobicContact CB-CB 4.16Å; Q537-A544 HydrophobicContact CG-CB 4.14Å; G542-A544 PolarHBondContact O-N 3.12Å
545	F	82.2	Confident	83.2	Confident	49 Å²	49	70.3 Å²	70.3	22%	0.215	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.3	-171.6	-59.3	-91.4	0	0	0	111.6	K534 F535 Y536 K543 Q547 H550 L551 H554	K534-F545 CarbonylContact C-O 3.52Å; K534-F545 VanDerWaalsContact C-O 3.29Å; K534-F545 WeakPolarHBondContact CA-O 3.13Å; F535-F545 PolarHBondContact N-O 3.03Å; Y536-F545 WeakPolarHBondContact CB-O 3.41Å; Y536-F545 PolarHBondContact N-O 3.28Å; Y536-F545 PolarHBondContact O-N 3.47Å; K543-F545 HydrophobicContact CB-CE2 4.05Å; K543-F545 HydrophobicContact CB-CZ 4.25Å; K543-F545 WeakPolarHBondContact O-CE2 3.24Å; F545-Q547 VanDerWaalsContact C-N 3.34Å; F545-H550 HydrophobicContact CB-CB 4.1Å; F545-H550 HydrophobicContact CD1-CB 3.84Å; F545-H550 HydrophobicContact CG-CB 4.18Å; F545-L551 HydrophobicContact CD2-CB 4.05Å; F545-L551 HydrophobicContact CD2-CD1 4.06Å; F545-L551 HydrophobicContact CE2-CD1 4.25Å; F545-L551 HydrophobicContact CG-CB 4.49Å; F545-H554 HydrophobicContact CE1-CB 4.23Å; F545-H554 HydrophobicContact CE2-CB 3.83Å; F545-H554 AromaticContact CE2-CD2 3.3Å; F545-H554 WeakPolarHBondContact CE2-CD2 3.43Å; F545-H554 AromaticContact CE2-CG 3.68Å; F545-H554 HydrophobicContact CZ-CB 3.55Å; F545-H554 AromaticContact CZ-CD2 3.41Å; F545-H554 VanDerWaalsContact CZ-CD2 3.41Å; F545-H554 WeakPolarHBondContact CZ-CD2 3.31Å; F545-H554 AromaticContact CZ-CG 3.37Å
546	N	79.2	Confident	83.7	Confident	47 Å²	47	67 Å²	67	25%	0.251	35%	0.346	S	S	.	.	S	Bend	trans	-81.9	-7.7	175.8	58	0.2	0	0	0	114.2	V528 H550	V528-N546 HydrophobicContact CG1-CB 3.7Å; N546-H550 PolarHBondContact OD1-ND1 3.45Å
547	Q	80.3	Confident	83.9	Confident	64 Å²	64	67.6 Å²	67.6	30%	0.299	35%	0.354	S	S	.	.	S	Bend	trans	-142.3	135.6	-178.8	-61.1	-177.3	11.5	0	0	111.2	Y536 F545 A549 H550 L551	Y536-Q547 VanDerWaalsContact CD2-C 3.46Å; F545-Q547 VanDerWaalsContact C-N 3.34Å; Q547-A549 VanDerWaalsContact C-N 3.31Å; Q547-A549 PolarHBondContact O-N 2.63Å; Q547-H550 HydrophobicContact CB-CB 4.4Å; Q547-H550 WeakPolarHBondContact O-CB 3.26Å; Q547-H550 PolarHBondContact O-N 2.86Å; Q547-L551 PolarHBondContact O-N 3.33Å
548	S	82.6	Confident	83.9	Confident	62 Å²	62	65.4 Å²	65.4	43%	0.434	34%	0.344	S	S	.	.	H	α-helix	trans	-56.4	-42.6	178.4	53.5	0	0	0	0	112.7	H550 L551 T552	S548-H550 PolarHBondContact O-N 3.31Å; S548-L551 WeakPolarHBondContact O-CB 3.32Å; S548-L551 PolarHBondContact O-N 3.3Å; S548-T552 PolarHBondContact O-N 2.96Å; S548-T552 PolarHBondContact O-OG1 3.36Å; S548-T552 VanDerWaalsContact O-OG1 3.12Å
549	A	84.6	Confident	83.7	Confident	62 Å²	62	69.2 Å²	69.2	51%	0.512	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-27.6	176.7	0	0	0	0	0	113.3	Q547 R553	Q547-A549 VanDerWaalsContact C-N 3.31Å; Q547-A549 PolarHBondContact O-N 2.63Å; A549-R553 VanDerWaalsContact O-CB 3.26Å; A549-R553 WeakPolarHBondContact O-CB 3.39Å; A549-R553 PolarHBondContact O-N 3.49Å; A549-R553 VanDerWaalsContact O-N 3.1Å
550	H	85.5	Confident	83.5	Confident	57 Å²	57	63.9 Å²	63.9	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-74.2	-40.9	173.3	-66.8	170.3	0	0	0	111.5	F545 N546 Q547 S548 R553 H554	F545-H550 HydrophobicContact CB-CB 4.1Å; F545-H550 HydrophobicContact CD1-CB 3.84Å; F545-H550 HydrophobicContact CG-CB 4.18Å; N546-H550 PolarHBondContact OD1-ND1 3.45Å; Q547-H550 HydrophobicContact CB-CB 4.4Å; Q547-H550 WeakPolarHBondContact O-CB 3.26Å; Q547-H550 PolarHBondContact O-N 2.86Å; S548-H550 PolarHBondContact O-N 3.31Å; H550-R553 PolarHBondContact CD2-NH2 2.83Å; H550-R553 PolarHBondContact NE2-NH2 3.2Å; H550-R553 PolarHBondContact O-N 3.25Å; H550-H554 WeakPolarHBondContact O-CB 3.4Å; H550-H554 PolarHBondContact O-N 3.41Å
551	L	85.7	Confident	83.5	Confident	25 Å²	25	63.8 Å²	63.8	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-47.9	172	174.1	62.2	0	0	0	111.8	Q537 C538 F545 Q547 S548 R553 H554 K555	Q537-L551 VanDerWaalsContact O-CD2 3.28Å; Q537-L551 WeakPolarHBondContact O-CD2 3.46Å; C538-L551 HydrophobicContact CB-CD1 3.58Å; F545-L551 HydrophobicContact CD2-CB 4.05Å; F545-L551 HydrophobicContact CD2-CD1 4.06Å; F545-L551 HydrophobicContact CE2-CD1 4.25Å; F545-L551 HydrophobicContact CG-CB 4.49Å; Q547-L551 PolarHBondContact O-N 3.33Å; S548-L551 WeakPolarHBondContact O-CB 3.32Å; S548-L551 PolarHBondContact O-N 3.3Å; L551-R553 VanDerWaalsContact C-N 3.29Å; L551-R553 PolarHBondContact O-N 3.2Å; L551-H554 CarbonylContact O-C 3.57Å; L551-H554 WeakPolarHBondContact O-CA 3.45Å; L551-H554 WeakPolarHBondContact O-CB 3.47Å; L551-H554 PolarHBondContact O-N 3.07Å; L551-K555 HydrophobicContact CD1-CG 4.26Å; L551-K555 PolarHBondContact O-N 3.3Å
552	T	85.1	Confident	83.6	Confident	86 Å²	86	67.6 Å²	67.6	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-40.7	177.3	-51.4	0	0	0	0	111.7	S548 H554	S548-T552 PolarHBondContact O-N 2.96Å; S548-T552 PolarHBondContact O-OG1 3.36Å; S548-T552 VanDerWaalsContact O-OG1 3.12Å; T552-H554 VanDerWaalsContact C-N 3.32Å
553	R	85.8	Confident	83.9	Confident	102 Å²	102	69.1 Å²	69.1	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-35.3	172.8	173.6	174	60.3	175.1	-5.8	112.4	A549 H550 L551 Q575	A549-R553 VanDerWaalsContact O-CB 3.26Å; A549-R553 WeakPolarHBondContact O-CB 3.39Å; A549-R553 PolarHBondContact O-N 3.49Å; A549-R553 VanDerWaalsContact O-N 3.1Å; H550-R553 PolarHBondContact CD2-NH2 2.83Å; H550-R553 PolarHBondContact NE2-NH2 3.2Å; H550-R553 PolarHBondContact O-N 3.25Å; L551-R553 VanDerWaalsContact C-N 3.29Å; L551-R553 PolarHBondContact O-N 3.2Å; R553-Q575 VanDerWaalsContact CD-OE1 3.24Å; R553-Q575 HydrophobicContact CG-CG 4.18Å
554	H	86.6	Confident	84.1	Confident	19 Å²	19	66.7 Å²	66.7	9%	0.088	36%	0.356	C	S	.	.	H	α-helix	trans	-71.9	-40.5	179.1	177.1	49.8	0	0	0	112.7	C541 F545 H550 L551 T552 R556 I557 H558	C541-H554 PolarHBondContact SG-NE2 3.01Å; F545-H554 HydrophobicContact CE1-CB 4.23Å; F545-H554 HydrophobicContact CE2-CB 3.83Å; F545-H554 AromaticContact CE2-CD2 3.3Å; F545-H554 WeakPolarHBondContact CE2-CD2 3.43Å; F545-H554 AromaticContact CE2-CG 3.68Å; F545-H554 HydrophobicContact CZ-CB 3.55Å; F545-H554 AromaticContact CZ-CD2 3.41Å; F545-H554 VanDerWaalsContact CZ-CD2 3.41Å; F545-H554 WeakPolarHBondContact CZ-CD2 3.31Å; F545-H554 AromaticContact CZ-CG 3.37Å; H550-H554 WeakPolarHBondContact O-CB 3.4Å; H550-H554 PolarHBondContact O-N 3.41Å; L551-H554 CarbonylContact O-C 3.57Å; L551-H554 WeakPolarHBondContact O-CA 3.45Å; L551-H554 WeakPolarHBondContact O-CB 3.47Å; L551-H554 PolarHBondContact O-N 3.07Å; T552-H554 VanDerWaalsContact C-N 3.32Å; H554-R556 PolarHBondContact O-N 3.08Å; H554-R556 VanDerWaalsContact O-N 3.12Å; H554-I557 VanDerWaalsContact O-CB 3.27Å; H554-I557 WeakPolarHBondContact O-CB 3.34Å; H554-I557 WeakPolarHBondContact O-CG1 3.21Å; H554-I557 PolarHBondContact O-N 3.05Å; H554-H558 AromaticContact CE1-NE2 3.84Å; H554-H558 AromaticContact NE2-NE2 3.55Å
555	K	85.1	Confident	84.2	Confident	61 Å²	61	71 Å²	71	27%	0.265	37%	0.37	S	S	.	.	H	α-helix	trans	-56.8	-28.6	176.8	-71.7	-154.3	170.5	-133.1	0	113.4	E539 E540 L551 I557 H558 T559	E539-K555 WeakPolarHBondContact OE2-CE 3.29Å; E539-K555 IonicContact OE2-NZ 3.54Å; E539-K555 PolarHBondContact OE2-NZ 3.21Å; E540-K555 IonicContact OE1-NZ 2.89Å; E540-K555 PolarHBondContact OE1-NZ 3Å; L551-K555 HydrophobicContact CD1-CG 4.26Å; L551-K555 PolarHBondContact O-N 3.3Å; K555-I557 PolarHBondContact O-N 2.94Å; K555-I557 VanDerWaalsContact O-N 3.13Å; K555-H558 PolarHBondContact O-N 3.28Å; K555-T559 PolarHBondContact O-N 3.13Å
556	R	87.1	Confident	84.5	Confident	52 Å²	52	68.8 Å²	68.8	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-15.2	171.2	-61.9	-173.7	177	157	3.1	115.3	H554 G560 E561 Y564 N574	H554-R556 PolarHBondContact O-N 3.08Å; H554-R556 VanDerWaalsContact O-N 3.12Å; R556-G560 CarbonylContact O-C 3.59Å; R556-G560 PolarHBondContact O-N 3.33Å; R556-E561 HydrophobicContact CB-CB 3.97Å; R556-E561 HydrophobicContact CG-CB 3.87Å; R556-E561 IonicContact NE-OE2 2.94Å; R556-E561 PolarHBondContact O-N 2.93Å; R556-Y564 PolarHBondContact NH1-OH 2.73Å; R556-N574 PolarHBondContact NH1-O 3.3Å
557	I	84.1	Confident	84.8	Confident	107 Å²	107	74 Å²	74	55%	0.549	38%	0.383	S	S	.	.	H	α-helix	trans	-75.9	-37.8	172.8	-57.6	-177.2	0	0	0	109.7	H554 K555	H554-I557 VanDerWaalsContact O-CB 3.27Å; H554-I557 WeakPolarHBondContact O-CB 3.34Å; H554-I557 WeakPolarHBondContact O-CG1 3.21Å; H554-I557 PolarHBondContact O-N 3.05Å; K555-I557 PolarHBondContact O-N 2.94Å; K555-I557 VanDerWaalsContact O-N 3.13Å
558	H	82.9	Confident	84.7	Confident	76 Å²	76	77.8 Å²	77.8	35%	0.352	40%	0.399	S	S	.	.	H	α-helix	trans	-76.5	-47	176.6	-57.4	-61.7	0	0	0	112	C538 E540 C541 H554 K555 G560	C538-H558 PolarHBondContact SG-NE2 2.8Å; E540-H558 WeakPolarHBondContact OE2-CB 3.32Å; E540-H558 IonicContact OE2-CD2 2.96Å; E540-H558 IonicContact OE2-CG 2.68Å; C541-H558 PolarHBondContact SG-NE2 3.29Å; H554-H558 AromaticContact CE1-NE2 3.84Å; H554-H558 AromaticContact NE2-NE2 3.55Å; K555-H558 PolarHBondContact O-N 3.28Å; H558-G560 PolarHBondContact O-N 3.13Å
559	T	82.9	Confident	84.8	Confident	80 Å²	80	77.4 Å²	77.4	49%	0.491	40%	0.395	S	S	.	.	S	Bend	trans	-74.2	-4.6	178.3	66.3	0	0	0	0	113.9	K555 E561	K555-T559 PolarHBondContact O-N 3.13Å; T559-E561 PolarHBondContact O-N 3.18Å; T559-E561 WeakPolarHBondContact OG1-CG 3.26Å; T559-E561 PolarHBondContact OG1-OE1 3.3Å
560	G	81.2	Confident	84.7	Confident	45 Å²	45	76.3 Å²	76.3	46%	0.464	39%	0.39	S	S	.	.			trans	66.8	1.6	-176	0	0	0	0	0	115.2	R556 H558 K562	R556-G560 CarbonylContact O-C 3.59Å; R556-G560 PolarHBondContact O-N 3.33Å; H558-G560 PolarHBondContact O-N 3.13Å; G560-K562 PolarHBondContact O-N 3.44Å
561	E	83.8	Confident	84.5	Confident	97 Å²	97	79.9 Å²	79.9	45%	0.453	41%	0.405	S	S	.	.			trans	-53.4	124.9	-174.3	-91.6	176.6	-131.5	0	0	113.4	R556 T559 P563 N574	R556-E561 HydrophobicContact CB-CB 3.97Å; R556-E561 HydrophobicContact CG-CB 3.87Å; R556-E561 IonicContact NE-OE2 2.94Å; R556-E561 PolarHBondContact O-N 2.93Å; T559-E561 PolarHBondContact O-N 3.18Å; T559-E561 WeakPolarHBondContact OG1-CG 3.26Å; T559-E561 PolarHBondContact OG1-OE1 3.3Å; E561-P563 HydrophobicContact CB-CG 4.46Å; E561-N574 WeakPolarHBondContact O-CB 3.35Å
562	K	85.6	Confident	84.6	Confident	132 Å²	132	80.5 Å²	80.5	57%	0.574	41%	0.414	S	S	*	.			trans	-125.3	70.3	176.4	-71.4	160.3	-175.6	171.1	0	111.3	G560 Y564 A572 F573	G560-K562 PolarHBondContact O-N 3.44Å; K562-Y564 PolarHBondContact O-N 3.34Å; K562-A572 HydrophobicContact CB-CB 3.68Å; K562-A572 HydrophobicContact CD-CB 4.43Å; K562-F573 CarbonylContact C-O 3.29Å; K562-F573 VanDerWaalsContact CA-O 3.27Å; K562-F573 WeakPolarHBondContact CA-O 3.45Å
563	P	87	Confident	84.6	Confident	70 Å²	70	78.6 Å²	78.6	46%	0.455	40%	0.398	S	S	.	.			trans	-70.3	-5.3	-170	-19.5	34.6	0	0	0	115.4	E561	E561-P563 HydrophobicContact CB-CG 4.46Å
564	Y	86.8	Confident	84.5	Confident	76 Å²	76	75.8 Å²	75.8	30%	0.298	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	90	-175.4	-52	-72.2	0	0	0	109.9	R556 K562 F573 N574 S576	R556-Y564 PolarHBondContact NH1-OH 2.73Å; K562-Y564 PolarHBondContact O-N 3.34Å; Y564-F573 WeakPolarHBondContact CD2-O 3.42Å; Y564-F573 PolarHBondContact N-O 2.83Å; Y564-F573 VanDerWaalsContact N-O 3.09Å; Y564-F573 PolarHBondContact O-N 3.06Å; Y564-N574 WeakPolarHBondContact CE2-O 3.01Å; Y564-S576 VanDerWaalsContact CD2-N 3.26Å
565	Q	84.8	Confident	84.3	Confident	123 Å²	123	77.1 Å²	77.1	58%	0.575	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.4	178.1	-159.1	171.5	16.9	0	0	112.2	G570 A572 L579	Q565-G570 VanDerWaalsContact CG-O 3.26Å; Q565-G570 WeakPolarHBondContact CG-O 3.49Å; Q565-G570 PolarHBondContact NE2-O 3.46Å; Q565-A572 HydrophobicContact CB-CB 4.47Å; Q565-A572 HydrophobicContact CG-CB 4.27Å; Q565-L579 WeakPolarHBondContact O-CD2 3.49Å
566	C	86.9	Confident	84.3	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.007	41%	0.406	C	S	.	.			trans	-92.9	114.3	171.9	-169.4	0	0	0	0	110.6	K568 C569 G570 K571 L579	C566-K568 PolarHBondContact O-N 3.38Å; C566-C569 PolarHBondContact O-N 3.5Å; C566-G570 WeakPolarHBondContact O-CA 3.4Å; C566-G570 PolarHBondContact O-N 3.36Å; C566-K571 WeakPolarHBondContact CB-O 3.47Å; C566-K571 PolarHBondContact N-O 2.8Å; C566-L579 HydrophobicContact CB-CD1 3.55Å
567	E	86	Confident	84.1	Confident	156 Å²	156	77.5 Å²	77.5	73%	0.729	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.1	-178.6	-53.6	97.4	154	0	0	112.3	C569 K583	E567-C569 VanDerWaalsContact C-N 3.34Å; E567-C569 PolarHBondContact O-N 3.28Å; E567-K583 IonicContact OE1-NZ 2.94Å; E567-K583 WeakPolarHBondContact OE2-CE 3.46Å; E567-K583 IonicContact OE2-NZ 3.27Å; E567-K583 PolarHBondContact OE2-NZ 2.83Å
568	K	79.6	Confident	84.2	Confident	145 Å²	145	75.4 Å²	75.4	63%	0.63	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-19	-178.7	-78.1	-169	171.5	-162.6	0	115.4	C566 H586	C566-K568 PolarHBondContact O-N 3.38Å; K568-H586 HydrophobicContact CD-CB 3.55Å; K568-H586 PolarHBondContact NZ-O 3.47Å
569	C	83.3	Confident	84.3	Confident	53 Å²	53	72.8 Å²	72.8	36%	0.358	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.5	12	-172.6	69.4	0	0	0	0	115.6	C566 E567 K571 H582 H586	C566-C569 PolarHBondContact O-N 3.5Å; E567-C569 VanDerWaalsContact C-N 3.34Å; E567-C569 PolarHBondContact O-N 3.28Å; C569-K571 PolarHBondContact O-N 3.07Å; C569-H582 PolarHBondContact SG-NE2 3.2Å; C569-H586 VanDerWaalsContact SG-CE1 3.56Å; C569-H586 PolarHBondContact SG-NE2 3.43Å
570	G	82.1	Confident	84.3	Confident	39 Å²	39	73 Å²	73	40%	0.402	40%	0.395	S	S	.	.			trans	69.2	-14.9	178.7	0	0	0	0	0	116.5	Q565 C566 A572	Q565-G570 VanDerWaalsContact CG-O 3.26Å; Q565-G570 WeakPolarHBondContact CG-O 3.49Å; Q565-G570 PolarHBondContact NE2-O 3.46Å; C566-G570 WeakPolarHBondContact O-CA 3.4Å; C566-G570 PolarHBondContact O-N 3.36Å; G570-A572 PolarHBondContact O-N 3.43Å
571	K	83.2	Confident	84.2	Confident	133 Å²	133	74.4 Å²	74.4	58%	0.578	40%	0.395	S	S	*	.			trans	-60.7	127.2	-176.5	-68.7	-174.7	178.6	-178.4	0	111.7	C566 C569 F573	C566-K571 WeakPolarHBondContact CB-O 3.47Å; C566-K571 PolarHBondContact N-O 2.8Å; C569-K571 PolarHBondContact O-N 3.07Å; K571-F573 HydrophobicContact CB-CE2 3.95Å; K571-F573 HydrophobicContact CB-CZ 4.14Å; K571-F573 WeakPolarHBondContact O-CE2 3.37Å
572	A	86.3	Confident	84.1	Confident	38 Å²	38	70.8 Å²	70.8	31%	0.314	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140	-174.6	0	0	0	0	0	112.7	K562 Q565 G570	K562-A572 HydrophobicContact CB-CB 3.68Å; K562-A572 HydrophobicContact CD-CB 4.43Å; Q565-A572 HydrophobicContact CB-CB 4.47Å; Q565-A572 HydrophobicContact CG-CB 4.27Å; G570-A572 PolarHBondContact O-N 3.43Å
573	F	85.3	Confident	83.8	Confident	45 Å²	45	68.3 Å²	68.3	20%	0.197	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148	-173.5	-58.3	-91.9	0	0	0	111.8	K562 Y564 K571 Q575 N578 L579 H582	K562-F573 CarbonylContact C-O 3.29Å; K562-F573 VanDerWaalsContact CA-O 3.27Å; K562-F573 WeakPolarHBondContact CA-O 3.45Å; Y564-F573 WeakPolarHBondContact CD2-O 3.42Å; Y564-F573 PolarHBondContact N-O 2.83Å; Y564-F573 VanDerWaalsContact N-O 3.09Å; Y564-F573 PolarHBondContact O-N 3.06Å; K571-F573 HydrophobicContact CB-CE2 3.95Å; K571-F573 HydrophobicContact CB-CZ 4.14Å; K571-F573 WeakPolarHBondContact O-CE2 3.37Å; F573-Q575 VanDerWaalsContact C-N 3.34Å; F573-N578 HydrophobicContact CB-CB 4.26Å; F573-N578 HydrophobicContact CD1-CB 3.85Å; F573-N578 HydrophobicContact CG-CB 4.29Å; F573-L579 HydrophobicContact CB-CB 4.47Å; F573-L579 HydrophobicContact CD2-CB 4Å; F573-L579 HydrophobicContact CD2-CD1 3.97Å; F573-L579 HydrophobicContact CE2-CD1 4.11Å; F573-L579 HydrophobicContact CG-CB 4.4Å; F573-H582 HydrophobicContact CE1-CB 4.19Å; F573-H582 HydrophobicContact CE2-CB 3.95Å; F573-H582 AromaticContact CE2-CD2 3.39Å; F573-H582 WeakPolarHBondContact CE2-CD2 3.22Å; F573-H582 AromaticContact CE2-CG 3.76Å; F573-H582 HydrophobicContact CZ-CB 3.57Å; F573-H582 AromaticContact CZ-CD2 3.46Å; F573-H582 VanDerWaalsContact CZ-CD2 3.46Å; F573-H582 WeakPolarHBondContact CZ-CD2 3.28Å; F573-H582 AromaticContact CZ-CG 3.38Å
574	N	83	Confident	83.5	Confident	44 Å²	44	67.5 Å²	67.5	24%	0.235	36%	0.356	C	S	.	.	S	Bend	trans	-80	-13.9	176.6	59.8	9	0	0	0	113.9	R556 E561 Y564	R556-N574 PolarHBondContact NH1-O 3.3Å; E561-N574 WeakPolarHBondContact O-CB 3.35Å; Y564-N574 WeakPolarHBondContact CE2-O 3.01Å
575	Q	83.8	Confident	83.1	Confident	47 Å²	47	68.5 Å²	68.5	22%	0.22	37%	0.366	C	S	.	.	S	Bend	trans	-133	137.5	179.5	-67.1	-179.2	83.1	0	0	111.6	R553 F573 S577 N578 L579	R553-Q575 VanDerWaalsContact CD-OE1 3.24Å; R553-Q575 HydrophobicContact CG-CG 4.18Å; F573-Q575 VanDerWaalsContact C-N 3.34Å; Q575-S577 VanDerWaalsContact C-N 3.33Å; Q575-S577 PolarHBondContact O-N 3.15Å; Q575-N578 HydrophobicContact CB-CB 4.47Å; Q575-N578 PolarHBondContact O-N 2.88Å; Q575-L579 PolarHBondContact O-N 3.33Å
576	S	84.4	Confident	82.7	Confident	63 Å²	63	65.2 Å²	65.2	44%	0.441	35%	0.35	S	S	.	.	H	α-helix	trans	-64.3	-35.8	179	51	0	0	0	0	112.7	Y564 N578 L579 T580	Y564-S576 VanDerWaalsContact CD2-N 3.26Å; S576-N578 PolarHBondContact O-N 3.25Å; S576-L579 CarbonylContact O-C 3.55Å; S576-L579 WeakPolarHBondContact O-CB 3.46Å; S576-L579 PolarHBondContact O-N 3.06Å; S576-T580 PolarHBondContact O-N 2.92Å; S576-T580 PolarHBondContact O-OG1 3.02Å; S576-T580 VanDerWaalsContact O-OG1 3.09Å
577	S	84.1	Confident	82	Confident	57 Å²	57	69 Å²	69	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-54	-39.8	173.2	51.5	0	0	0	0	112.6	Q575 T580 V581	Q575-S577 VanDerWaalsContact C-N 3.33Å; Q575-S577 PolarHBondContact O-N 3.15Å; S577-T580 PolarHBondContact O-N 3.19Å; S577-V581 WeakPolarHBondContact O-CG2 3.4Å; S577-V581 PolarHBondContact O-N 2.89Å
578	N	84.9	Confident	81	Confident	64 Å²	64	64.4 Å²	64.4	34%	0.342	37%	0.368	S	S	.	.	H	α-helix	trans	-74.3	-37.3	-177	-59	11	0	0	0	110	F573 Q575 S576 H582	F573-N578 HydrophobicContact CB-CB 4.26Å; F573-N578 HydrophobicContact CD1-CB 3.85Å; F573-N578 HydrophobicContact CG-CB 4.29Å; Q575-N578 HydrophobicContact CB-CB 4.47Å; Q575-N578 PolarHBondContact O-N 2.88Å; S576-N578 PolarHBondContact O-N 3.25Å; N578-H582 VanDerWaalsContact O-CB 3.23Å; N578-H582 WeakPolarHBondContact O-CB 3.49Å; N578-H582 PolarHBondContact O-N 3.46Å
579	L	85	Confident	80.2	Confident	20 Å²	20	62.3 Å²	62.3	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-39.3	168.2	177.2	62.5	0	0	0	111.9	Q565 C566 F573 Q575 S576 H582 K583	Q565-L579 WeakPolarHBondContact O-CD2 3.49Å; C566-L579 HydrophobicContact CB-CD1 3.55Å; F573-L579 HydrophobicContact CB-CB 4.47Å; F573-L579 HydrophobicContact CD2-CB 4Å; F573-L579 HydrophobicContact CD2-CD1 3.97Å; F573-L579 HydrophobicContact CE2-CD1 4.11Å; F573-L579 HydrophobicContact CG-CB 4.4Å; Q575-L579 PolarHBondContact O-N 3.33Å; S576-L579 CarbonylContact O-C 3.55Å; S576-L579 WeakPolarHBondContact O-CB 3.46Å; S576-L579 PolarHBondContact O-N 3.06Å; L579-H582 PolarHBondContact O-N 2.96Å; L579-K583 HydrophobicContact CD1-CD 4.47Å; L579-K583 HydrophobicContact CD1-CG 4.06Å; L579-K583 HydrophobicContact CG-CD 4.47Å; L579-K583 HydrophobicContact CG-CG 4.38Å; L579-K583 WeakPolarHBondContact O-CB 3.24Å; L579-K583 WeakPolarHBondContact O-CG 3.35Å; L579-K583 PolarHBondContact O-N 3.34Å
580	T	82.8	Confident	78.9	Confident	85 Å²	85	65.7 Å²	65.7	52%	0.521	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-44.9	177.3	-57	0	0	0	0	111.9	S576 S577 K583 K584	S576-T580 PolarHBondContact O-N 2.92Å; S576-T580 PolarHBondContact O-OG1 3.02Å; S576-T580 VanDerWaalsContact O-OG1 3.09Å; S577-T580 PolarHBondContact O-N 3.19Å; T580-K583 PolarHBondContact O-N 3.06Å; T580-K584 PolarHBondContact O-N 2.88Å
581	V	80.3	Confident	77.6	Confident	75 Å²	75	68 Å²	68	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-44.4	173.7	173.1	0	0	0	0	110.3	S577 K583 K584	S577-V581 WeakPolarHBondContact O-CG2 3.4Å; S577-V581 PolarHBondContact O-N 2.89Å; V581-K583 PolarHBondContact O-N 3Å; V581-K584 WeakPolarHBondContact O-CB 3.35Å; V581-K584 PolarHBondContact O-N 2.92Å; V581-K584 VanDerWaalsContact O-N 3.14Å
582	H	81.3	Confident	76.2	Confident	21 Å²	21	66.2 Å²	66.2	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-63.4	-37.7	177.2	179.2	56.2	0	0	0	113.5	C569 F573 N578 L579 K584 I585 H586	C569-H582 PolarHBondContact SG-NE2 3.2Å; F573-H582 HydrophobicContact CE1-CB 4.19Å; F573-H582 HydrophobicContact CE2-CB 3.95Å; F573-H582 AromaticContact CE2-CD2 3.39Å; F573-H582 WeakPolarHBondContact CE2-CD2 3.22Å; F573-H582 AromaticContact CE2-CG 3.76Å; F573-H582 HydrophobicContact CZ-CB 3.57Å; F573-H582 AromaticContact CZ-CD2 3.46Å; F573-H582 VanDerWaalsContact CZ-CD2 3.46Å; F573-H582 WeakPolarHBondContact CZ-CD2 3.28Å; F573-H582 AromaticContact CZ-CG 3.38Å; N578-H582 VanDerWaalsContact O-CB 3.23Å; N578-H582 WeakPolarHBondContact O-CB 3.49Å; N578-H582 PolarHBondContact O-N 3.46Å; L579-H582 PolarHBondContact O-N 2.96Å; H582-K584 PolarHBondContact O-N 2.9Å; H582-I585 WeakPolarHBondContact O-CB 3.42Å; H582-I585 PolarHBondContact O-N 3.38Å; H582-I585 VanDerWaalsContact O-N 3.08Å; H582-H586 AromaticContact CD2-NE2 3.77Å; H582-H586 AromaticContact CE1-NE2 3.3Å; H582-H586 PolarHBondContact CE1-NE2 3.2Å; H582-H586 VanDerWaalsContact CE1-NE2 3.3Å; H582-H586 AromaticContact NE2-CD2 3.74Å; H582-H586 AromaticContact NE2-NE2 2.97Å; H582-H586 PolarHBondContact NE2-NE2 3.27Å; H582-H586 PolarHBondContact O-CD2 2.97Å
583	K	79.7	Confident	74.4	Confident	79 Å²	79	72 Å²	72	34%	0.343	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-24.4	175.3	-81	-168.2	172.1	-169.8	0	112.6	E567 L579 T580 V581 H586	E567-K583 IonicContact OE1-NZ 2.94Å; E567-K583 WeakPolarHBondContact OE2-CE 3.46Å; E567-K583 IonicContact OE2-NZ 3.27Å; E567-K583 PolarHBondContact OE2-NZ 2.83Å; L579-K583 HydrophobicContact CD1-CD 4.47Å; L579-K583 HydrophobicContact CD1-CG 4.06Å; L579-K583 HydrophobicContact CG-CD 4.47Å; L579-K583 HydrophobicContact CG-CG 4.38Å; L579-K583 WeakPolarHBondContact O-CB 3.24Å; L579-K583 WeakPolarHBondContact O-CG 3.35Å; L579-K583 PolarHBondContact O-N 3.34Å; T580-K583 PolarHBondContact O-N 3.06Å; V581-K583 PolarHBondContact O-N 3Å; K583-H586 PolarHBondContact O-N 3.44Å
584	K	79.9	Confident	72.7	Confident	54 Å²	54	71 Å²	71	24%	0.235	38%	0.378	C	S	.	.	H	α-helix	trans	-72.4	-26.9	174	-67.8	177.4	174.8	-78.2	0	114	T580 V581 H582 H586 T587 G588 E589 L591	T580-K584 PolarHBondContact O-N 2.88Å; V581-K584 WeakPolarHBondContact O-CB 3.35Å; V581-K584 PolarHBondContact O-N 2.92Å; V581-K584 VanDerWaalsContact O-N 3.14Å; H582-K584 PolarHBondContact O-N 2.9Å; K584-H586 PolarHBondContact O-N 3.09Å; K584-T587 WeakPolarHBondContact CA-OG1 3.23Å; K584-T587 CarbonylContact O-C 3.58Å; K584-T587 PolarHBondContact O-N 3.25Å; K584-T587 VanDerWaalsContact O-N 3.11Å; K584-T587 PolarHBondContact O-OG1 3.24Å; K584-G588 PolarHBondContact O-N 3.41Å; K584-E589 HydrophobicContact CB-CB 4.14Å; K584-E589 HydrophobicContact CD-CB 4.42Å; K584-E589 HydrophobicContact CG-CB 4.13Å; K584-E589 IonicContact NZ-OE2 2.72Å; K584-E589 PolarHBondContact NZ-OE2 2.79Å; K584-E589 PolarHBondContact O-N 3.08Å; K584-L591 HydrophobicContact CD-CD1 3.86Å; K584-L591 HydrophobicContact CD-CD2 4.49Å; K584-L591 HydrophobicContact CD-CG 4.26Å
585	I	77.6	Confident	71.2	Confident	96 Å²	96	79.2 Å²	79.2	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-62.2	-37.8	171.2	-52.4	179.2	0	0	0	109.3	H582 T587	H582-I585 WeakPolarHBondContact O-CB 3.42Å; H582-I585 PolarHBondContact O-N 3.38Å; H582-I585 VanDerWaalsContact O-N 3.08Å; I585-T587 PolarHBondContact O-N 3.01Å
586	H	76.3	Confident	69.7	Low	54 Å²	54	88.1 Å²	88.1	25%	0.25	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	7.3	175.7	-59.2	-72.1	0	0	0	115.4	K568 C569 H582 K583 K584	K568-H586 HydrophobicContact CD-CB 3.55Å; K568-H586 PolarHBondContact NZ-O 3.47Å; C569-H586 VanDerWaalsContact SG-CE1 3.56Å; C569-H586 PolarHBondContact SG-NE2 3.43Å; H582-H586 AromaticContact CD2-NE2 3.77Å; H582-H586 AromaticContact CE1-NE2 3.3Å; H582-H586 PolarHBondContact CE1-NE2 3.2Å; H582-H586 VanDerWaalsContact CE1-NE2 3.3Å; H582-H586 AromaticContact NE2-CD2 3.74Å; H582-H586 AromaticContact NE2-NE2 2.97Å; H582-H586 PolarHBondContact NE2-NE2 3.27Å; H582-H586 PolarHBondContact O-CD2 2.97Å; K583-H586 PolarHBondContact O-N 3.44Å; K584-H586 PolarHBondContact O-N 3.09Å
587	T	73.1	Confident	68.1	Low	81 Å²	81	86.3 Å²	86.3	50%	0.497	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-2.5	175.3	62.6	0	0	0	0	113.7	K584 I585 E589	K584-T587 WeakPolarHBondContact CA-OG1 3.23Å; K584-T587 CarbonylContact O-C 3.58Å; K584-T587 PolarHBondContact O-N 3.25Å; K584-T587 VanDerWaalsContact O-N 3.11Å; K584-T587 PolarHBondContact O-OG1 3.24Å; I585-T587 PolarHBondContact O-N 3.01Å; T587-E589 PolarHBondContact O-N 3.49Å; T587-E589 WeakPolarHBondContact OG1-CG 3.11Å
588	G	64.7	Low	66.7	Low	59 Å²	59	91.9 Å²	91.9	61%	0.608	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	9.3	-179.1	0	0	0	0	0	115.3	K584 K590	K584-G588 PolarHBondContact O-N 3.41Å; G588-K590 VanDerWaalsContact C-N 3.32Å; G588-K590 PolarHBondContact O-N 3.11Å
589	E	62.8	Low	65.1	Low	102 Å²	102	90.6 Å²	90.6	48%	0.477	45%	0.451	S	S	.	.			trans	-72.2	78.5	-175.7	-75.8	-176.7	-175.6	0	0	113	K584 T587	K584-E589 HydrophobicContact CB-CB 4.14Å; K584-E589 HydrophobicContact CD-CB 4.42Å; K584-E589 HydrophobicContact CG-CB 4.13Å; K584-E589 IonicContact NZ-OE2 2.72Å; K584-E589 PolarHBondContact NZ-OE2 2.79Å; K584-E589 PolarHBondContact O-N 3.08Å; T587-E589 PolarHBondContact O-N 3.49Å; T587-E589 WeakPolarHBondContact OG1-CG 3.11Å
590	K	57.1	Low	63.4	Low	124 Å²	124	92 Å²	92	54%	0.539	46%	0.459	S	S	.	.			trans	-64.9	126.2	168.6	-74.7	160	153.3	-168	0	110.4	G588 D600	G588-K590 VanDerWaalsContact C-N 3.32Å; G588-K590 PolarHBondContact O-N 3.11Å; K590-D600 HydrophobicContact CB-CB 4.16Å; K590-D600 HydrophobicContact CD-CB 3.53Å; K590-D600 WeakPolarHBondContact CD-OD2 3.42Å; K590-D600 WeakPolarHBondContact CE-OD2 3.42Å; K590-D600 HydrophobicContact CG-CB 3.97Å; K590-D600 IonicContact NZ-OD2 3.58Å; K590-D600 PolarHBondContact NZ-OD2 3.32Å
591	L	55.1	Low	62.2	Low	87 Å²	87	89.4 Å²	89.4	46%	0.455	44%	0.44	S	S	.	.			trans	-99.4	-22.5	-168.1	-73.3	174.3	0	0	0	115.2	K584 F601	K584-L591 HydrophobicContact CD-CD1 3.86Å; K584-L591 HydrophobicContact CD-CD2 4.49Å; K584-L591 HydrophobicContact CD-CG 4.26Å; L591-F601 PolarHBondContact N-O 3.46Å
592	Y	52.9	Low	60.8	Low	96 Å²	96	91 Å²	91	38%	0.376	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-132.1	115.4	-174.8	-76.2	-89	0	0	0	112.1	F601 T604 F607	Y592-F601 PolarHBondContact N-O 3.39Å; Y592-F601 PolarHBondContact O-N 3.41Å; Y592-T604 HydrophobicContact CD2-CG2 4.14Å; Y592-T604 HydrophobicContact CE1-CG2 4.25Å; Y592-T604 HydrophobicContact CE2-CG2 3.37Å; Y592-T604 VanDerWaalsContact CZ-CG2 3.44Å; Y592-T604 WeakPolarHBondContact OH-CG2 3.31Å; Y592-F607 HydrophobicContact CD1-CD1 4.12Å; Y592-F607 HydrophobicContact CD1-CE1 4.3Å; Y592-F607 HydrophobicContact CD1-CG 4.38Å; Y592-F607 HydrophobicContact CG-CG 4.4Å
593	K	48.2	Very low	59.6	Low	159 Å²	159	92.2 Å²	92.2	69%	0.691	45%	0.45	S	S	*	.			trans	-104.2	120.4	166	-60.8	-149.4	177	-148.6	0	110	D600	K593-D600 WeakPolarHBondContact CD-OD1 3.44Å; K593-D600 WeakPolarHBondContact CE-OD1 3.36Å; K593-D600 WeakPolarHBondContact CG-OD1 3.27Å; K593-D600 IonicContact NZ-OD1 3.71Å; K593-D600 PolarHBondContact NZ-OD1 3.33Å
594	P	49.2	Very low	58.4	Low	23 Å²	23	92 Å²	92	15%	0.149	46%	0.456	C	S	.	.			trans	-65.7	137.8	170.6	-15.2	27.7	0	0	0	111	R596 C597 S599 F601 F607	P594-R596 PolarHBondContact O-N 2.88Å; P594-C597 VanDerWaalsContact CB-SG 3.52Å; P594-C597 VanDerWaalsContact CG-SG 3.59Å; P594-S599 WeakPolarHBondContact CD-O 3.34Å; P594-S599 WeakPolarHBondContact CG-O 3.35Å; P594-F601 HydrophobicContact CG-CD2 4.14Å; P594-F601 HydrophobicContact CG-CE2 3.81Å; P594-F607 HydrophobicContact CB-CE2 4.08Å; P594-F607 HydrophobicContact CG-CD2 4.2Å; P594-F607 HydrophobicContact CG-CE2 3.9Å
595	K	52.7	Low	57.4	Low	217 Å²	217	92.7 Å²	92.7	94%	0.943	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-0.3	177.2	-77.4	-166.5	173.5	-169.9	0	115.2
596	R	52.4	Low	56.5	Low	234 Å²	234	91.3 Å²	91.3	88%	0.883	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	4.8	-173.7	-79.6	-171.2	172.4	176.8	-3.4	115.5	P594	P594-R596 PolarHBondContact O-N 2.88Å
597	C	51.4	Low	55.8	Low	25 Å²	25	91.2 Å²	91.2	17%	0.169	46%	0.46	C	S	.	.	S	Bend	trans	-156.8	145.6	172.8	59.8	0	0	0	0	111.3	P594 S599 H610 Y614	P594-C597 VanDerWaalsContact CB-SG 3.52Å; P594-C597 VanDerWaalsContact CG-SG 3.59Å; C597-S599 PolarHBondContact O-N 3.29Å; C597-S599 PolarHBondContact SG-OG 2.96Å; C597-S599 VanDerWaalsContact SG-OG 3.41Å; C597-H610 PolarHBondContact SG-NE2 3.29Å; C597-Y614 HydrophobicContact CB-CE2 4.17Å
598	N	54.4	Low	55.2	Low	175 Å²	175	90.1 Å²	90.1	94%	0.936	46%	0.456	S	S	*	.			trans	-80.5	34.6	-174.9	-70.6	-17	0	0	0	113.8
599	S	51	Low	55.3	Low	36 Å²	36	93.3 Å²	93.3	25%	0.252	45%	0.453	S	S	.	.			trans	-101.3	113	176.9	56.5	0	0	0	0	110.7	P594 C597 F601 H610	P594-S599 WeakPolarHBondContact CD-O 3.34Å; P594-S599 WeakPolarHBondContact CG-O 3.35Å; C597-S599 PolarHBondContact O-N 3.29Å; C597-S599 PolarHBondContact SG-OG 2.96Å; C597-S599 VanDerWaalsContact SG-OG 3.41Å; S599-F601 VanDerWaalsContact O-CD2 3.29Å; S599-F601 WeakPolarHBondContact O-CD2 3.36Å; S599-F601 WeakPolarHBondContact O-CE2 3.45Å; S599-F601 VanDerWaalsContact OG-CE2 3.24Å; S599-F601 WeakPolarHBondContact OG-CE2 3.37Å; S599-F601 WeakPolarHBondContact OG-CZ 3.19Å; S599-H610 PolarHBondContact OG-NE2 2.91Å
600	D	49.7	Very low	55.5	Low	49 Å²	49	90.7 Å²	90.7	26%	0.262	44%	0.44	S	S	.	.			trans	-84.8	136.6	178.9	-59.7	-52.9	0	0	0	111.1	K590 K593	K590-D600 HydrophobicContact CB-CB 4.16Å; K590-D600 HydrophobicContact CD-CB 3.53Å; K590-D600 WeakPolarHBondContact CD-OD2 3.42Å; K590-D600 WeakPolarHBondContact CE-OD2 3.42Å; K590-D600 HydrophobicContact CG-CB 3.97Å; K590-D600 IonicContact NZ-OD2 3.58Å; K590-D600 PolarHBondContact NZ-OD2 3.32Å; K593-D600 WeakPolarHBondContact CD-OD1 3.44Å; K593-D600 WeakPolarHBondContact CE-OD1 3.36Å; K593-D600 WeakPolarHBondContact CG-OD1 3.27Å; K593-D600 IonicContact NZ-OD1 3.71Å; K593-D600 PolarHBondContact NZ-OD1 3.33Å
601	F	56.2	Low	55.7	Low	31 Å²	31	90.7 Å²	90.7	14%	0.136	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-115.6	133.1	179.6	-63.4	-81	0	0	0	113.7	L591 Y592 P594 S599 N603 N606 F607 H610	L591-F601 PolarHBondContact N-O 3.46Å; Y592-F601 PolarHBondContact N-O 3.39Å; Y592-F601 PolarHBondContact O-N 3.41Å; P594-F601 HydrophobicContact CG-CD2 4.14Å; P594-F601 HydrophobicContact CG-CE2 3.81Å; S599-F601 VanDerWaalsContact O-CD2 3.29Å; S599-F601 WeakPolarHBondContact O-CD2 3.36Å; S599-F601 WeakPolarHBondContact O-CE2 3.45Å; S599-F601 VanDerWaalsContact OG-CE2 3.24Å; S599-F601 WeakPolarHBondContact OG-CE2 3.37Å; S599-F601 WeakPolarHBondContact OG-CZ 3.19Å; F601-N603 VanDerWaalsContact C-N 3.33Å; F601-N603 PolarHBondContact O-N 2.73Å; F601-N606 HydrophobicContact CD1-CB 3.95Å; F601-F607 HydrophobicContact CB-CB 3.94Å; F601-F607 HydrophobicContact CD2-CB 4.18Å; F601-F607 AromaticContact CD2-CD2 3.84Å; F601-F607 HydrophobicContact CD2-CD2 3.84Å; F601-F607 HydrophobicContact CE2-CD2 4.38Å; F601-F607 HydrophobicContact CG-CB 4.02Å; F601-H610 HydrophobicContact CE1-CB 3.73Å; F601-H610 HydrophobicContact CE2-CB 4.04Å; F601-H610 AromaticContact CE2-CD2 3.6Å; F601-H610 AromaticContact CE2-CG 3.77Å; F601-H610 HydrophobicContact CZ-CB 3.39Å; F601-H610 AromaticContact CZ-CD2 3.54Å; F601-H610 AromaticContact CZ-CG 3.22Å; F601-H610 AromaticContact CZ-ND1 3.65Å
602	E	51.6	Low	56.2	Low	109 Å²	109	94.3 Å²	94.3	51%	0.509	45%	0.448	S	S	.	.	S	Bend	trans	-69.6	-26.9	177.6	-57.4	-176.3	149.8	0	0	113.5
603	N	55.5	Low	56.6	Low	46 Å²	46	96.4 Å²	96.4	25%	0.246	47%	0.466	C	S	.	.	S	Bend	trans	-150	159.6	-177.8	71.2	75.8	0	0	0	112.7	F601 S605 N606 F607	F601-N603 VanDerWaalsContact C-N 3.33Å; F601-N603 PolarHBondContact O-N 2.73Å; N603-S605 VanDerWaalsContact C-N 3.33Å; N603-S605 PolarHBondContact O-N 3.42Å; N603-S605 WeakPolarHBondContact OD1-CA 3.3Å; N603-S605 VanDerWaalsContact OD1-CB 3.32Å; N603-S605 WeakPolarHBondContact OD1-CB 3.43Å; N603-S605 PolarHBondContact OD1-N 3.44Å; N603-N606 PolarHBondContact ND2-ND2 3.29Å; N603-N606 VanDerWaalsContact ND2-ND2 3.15Å; N603-N606 PolarHBondContact O-N 3.4Å; N603-N606 PolarHBondContact OD1-N 2.88Å; N603-F607 PolarHBondContact O-N 3.31Å; N603-F607 VanDerWaalsContact O-N 3.15Å
604	T	54.8	Low	57.3	Low	75 Å²	75	96.1 Å²	96.1	46%	0.46	46%	0.461	S	S	.	.	H	α-helix	trans	-63.5	-31.4	-178.4	44.6	0	0	0	0	114.1	Y592 F607 S608	Y592-T604 HydrophobicContact CD2-CG2 4.14Å; Y592-T604 HydrophobicContact CE1-CG2 4.25Å; Y592-T604 HydrophobicContact CE2-CG2 3.37Å; Y592-T604 VanDerWaalsContact CZ-CG2 3.44Å; Y592-T604 WeakPolarHBondContact OH-CG2 3.31Å; T604-F607 PolarHBondContact O-N 3.44Å; T604-S608 WeakPolarHBondContact O-CB 3.46Å; T604-S608 PolarHBondContact O-N 3.26Å; T604-S608 PolarHBondContact O-OG 3.1Å; T604-S608 VanDerWaalsContact O-OG 3.09Å
605	S	58.6	Low	57.6	Low	68 Å²	68	98.2 Å²	98.2	48%	0.476	47%	0.474	S	S	.	.	H	α-helix	trans	-68.6	-43.9	179.8	-169.1	0	0	0	0	111.2	N603 S608 K609	N603-S605 VanDerWaalsContact C-N 3.33Å; N603-S605 PolarHBondContact O-N 3.42Å; N603-S605 WeakPolarHBondContact OD1-CA 3.3Å; N603-S605 VanDerWaalsContact OD1-CB 3.32Å; N603-S605 WeakPolarHBondContact OD1-CB 3.43Å; N603-S605 PolarHBondContact OD1-N 3.44Å; S605-S608 PolarHBondContact O-N 2.84Å; S605-K609 WeakPolarHBondContact O-CG 3.16Å; S605-K609 PolarHBondContact O-N 2.98Å
606	N	60.3	Low	57.5	Low	68 Å²	68	90.9 Å²	90.9	36%	0.364	46%	0.46	S	S	.	.	H	α-helix	trans	-65.4	-42.1	175.3	-68.7	0.4	0	0	0	111.2	F601 N603 S608 K609 H610	F601-N606 HydrophobicContact CD1-CB 3.95Å; N603-N606 PolarHBondContact ND2-ND2 3.29Å; N603-N606 VanDerWaalsContact ND2-ND2 3.15Å; N603-N606 PolarHBondContact O-N 3.4Å; N603-N606 PolarHBondContact OD1-N 2.88Å; N606-S608 PolarHBondContact O-N 3.17Å; N606-K609 PolarHBondContact O-N 2.98Å; N606-H610 WeakPolarHBondContact O-CB 3.37Å; N606-H610 PolarHBondContact O-N 3.07Å
607	F	60.3	Low	57.2	Low	51 Å²	51	86 Å²	86	22%	0.224	45%	0.447	C	S	.	.	H	α-helix	trans	-60.3	-42.7	172.3	174.5	-108.5	0	0	0	112.6	Y592 P594 F601 N603 T604 H610 K611	Y592-F607 HydrophobicContact CD1-CD1 4.12Å; Y592-F607 HydrophobicContact CD1-CE1 4.3Å; Y592-F607 HydrophobicContact CD1-CG 4.38Å; Y592-F607 HydrophobicContact CG-CG 4.4Å; P594-F607 HydrophobicContact CB-CE2 4.08Å; P594-F607 HydrophobicContact CG-CD2 4.2Å; P594-F607 HydrophobicContact CG-CE2 3.9Å; F601-F607 HydrophobicContact CB-CB 3.94Å; F601-F607 HydrophobicContact CD2-CB 4.18Å; F601-F607 AromaticContact CD2-CD2 3.84Å; F601-F607 HydrophobicContact CD2-CD2 3.84Å; F601-F607 HydrophobicContact CE2-CD2 4.38Å; F601-F607 HydrophobicContact CG-CB 4.02Å; N603-F607 PolarHBondContact O-N 3.31Å; N603-F607 VanDerWaalsContact O-N 3.15Å; T604-F607 PolarHBondContact O-N 3.44Å; F607-H610 PolarHBondContact O-N 2.96Å; F607-K611 WeakPolarHBondContact O-CB 3.45Å; F607-K611 PolarHBondContact O-N 2.92Å
608	S	61	Low	56.7	Low	59 Å²	59	94.5 Å²	94.5	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-68.7	-37.3	177	-68.5	0	0	0	0	113.3	T604 S605 N606 K611 R612	T604-S608 WeakPolarHBondContact O-CB 3.46Å; T604-S608 PolarHBondContact O-N 3.26Å; T604-S608 PolarHBondContact O-OG 3.1Å; T604-S608 VanDerWaalsContact O-OG 3.09Å; S605-S608 PolarHBondContact O-N 2.84Å; N606-S608 PolarHBondContact O-N 3.17Å; S608-K611 PolarHBondContact O-N 3.42Å; S608-R612 WeakPolarHBondContact O-CG 3.48Å; S608-R612 PolarHBondContact O-N 2.87Å; S608-R612 VanDerWaalsContact O-N 3.11Å
609	K	66.5	Low	55.9	Low	126 Å²	126	95.6 Å²	95.6	55%	0.548	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-49.8	171.3	-75.4	180	177.1	-173.5	0	110.9	S605 N606 K611 R612 N613	S605-K609 WeakPolarHBondContact O-CG 3.16Å; S605-K609 PolarHBondContact O-N 2.98Å; N606-K609 PolarHBondContact O-N 2.98Å; K609-K611 VanDerWaalsContact C-N 3.32Å; K609-K611 PolarHBondContact O-N 2.99Å; K609-R612 PolarHBondContact O-N 3.23Å; K609-N613 PolarHBondContact O-N 3.43Å; K609-N613 PolarHBondContact O-OD1 3.48Å
610	H	67.4	Low	56.2	Low	46 Å²	46	98.6 Å²	98.6	21%	0.213	52%	0.515	C	S	.	.	H	α-helix	trans	-57.8	-44.6	175.9	177.3	77.5	0	0	0	111.7	C597 S599 F601 N606 F607 R612 N613 Y614	C597-H610 PolarHBondContact SG-NE2 3.29Å; S599-H610 PolarHBondContact OG-NE2 2.91Å; F601-H610 HydrophobicContact CE1-CB 3.73Å; F601-H610 HydrophobicContact CE2-CB 4.04Å; F601-H610 AromaticContact CE2-CD2 3.6Å; F601-H610 AromaticContact CE2-CG 3.77Å; F601-H610 HydrophobicContact CZ-CB 3.39Å; F601-H610 AromaticContact CZ-CD2 3.54Å; F601-H610 AromaticContact CZ-CG 3.22Å; F601-H610 AromaticContact CZ-ND1 3.65Å; N606-H610 WeakPolarHBondContact O-CB 3.37Å; N606-H610 PolarHBondContact O-N 3.07Å; F607-H610 PolarHBondContact O-N 2.96Å; H610-R612 PolarHBondContact O-N 2.87Å; H610-N613 PolarHBondContact O-N 2.89Å; H610-Y614 AromaticContact CE1-CD2 3.53Å; H610-Y614 AromaticContact CE1-CE2 3.88Å; H610-Y614 AromaticContact NE2-CD2 3.45Å; H610-Y614 WeakPolarHBondContact NE2-CD2 3.29Å; H610-Y614 AromaticContact NE2-CE2 3.86Å; H610-Y614 WeakPolarHBondContact O-CB 3.48Å; H610-Y614 PolarHBondContact O-N 3.29Å
611	K	61	Low	56.5	Low	124 Å²	124	101.2 Å²	101.2	54%	0.539	53%	0.528	S	S	.	.	H	α-helix	trans	-57.4	-47.9	177.4	-166.9	-164.7	174.3	-155.5	0	112	F607 S608 K609 N613 Y614 T615	F607-K611 WeakPolarHBondContact O-CB 3.45Å; F607-K611 PolarHBondContact O-N 2.92Å; S608-K611 PolarHBondContact O-N 3.42Å; K609-K611 VanDerWaalsContact C-N 3.32Å; K609-K611 PolarHBondContact O-N 2.99Å; K611-N613 PolarHBondContact O-N 3.36Å; K611-Y614 CarbonylContact O-C 3.52Å; K611-Y614 WeakPolarHBondContact O-CA 3.36Å; K611-Y614 WeakPolarHBondContact O-CB 3.49Å; K611-Y614 PolarHBondContact O-N 3.36Å; K611-T615 HydrophobicContact CG-CG2 4.43Å; K611-T615 PolarHBondContact O-N 3.48Å; K611-T615 PolarHBondContact O-OG1 3.3Å
612	R	66.3	Low	56.5	Low	163 Å²	163	105.1 Å²	105.1	62%	0.615	55%	0.55	S	S	*	*	H	α-helix	trans	-59.9	-44.9	177.4	-70.2	176.2	-172.3	178.6	-0.2	112	S608 K609 H610 Y614 T615 G616	S608-R612 WeakPolarHBondContact O-CG 3.48Å; S608-R612 PolarHBondContact O-N 2.87Å; S608-R612 VanDerWaalsContact O-N 3.11Å; K609-R612 PolarHBondContact O-N 3.23Å; H610-R612 PolarHBondContact O-N 2.87Å; R612-Y614 PolarHBondContact O-N 2.82Å; R612-T615 PolarHBondContact O-N 2.7Å; R612-T615 PolarHBondContact O-OG1 3.34Å; R612-G616 PolarHBondContact O-N 3.08Å
613	N	61.5	Low	56.8	Low	140 Å²	140	104.9 Å²	104.9	75%	0.749	55%	0.553	S	S	*	*	H	α-helix	trans	-62.2	-26.8	176.2	-66.2	16.1	0	0	0	112.3	K609 H610 K611	K609-N613 PolarHBondContact O-N 3.43Å; K609-N613 PolarHBondContact O-OD1 3.48Å; H610-N613 PolarHBondContact O-N 2.89Å; K611-N613 PolarHBondContact O-N 3.36Å
614	Y	62.4	Low	56.9	Low	153 Å²	153	108.6 Å²	108.6	60%	0.6	57%	0.572	S	S	*	*	H	α-helix	trans	-88	-22.7	177.2	-132.2	-77	0	0	0	114	C597 H610 K611 R612	C597-Y614 HydrophobicContact CB-CE2 4.17Å; H610-Y614 AromaticContact CE1-CD2 3.53Å; H610-Y614 AromaticContact CE1-CE2 3.88Å; H610-Y614 AromaticContact NE2-CD2 3.45Å; H610-Y614 WeakPolarHBondContact NE2-CD2 3.29Å; H610-Y614 AromaticContact NE2-CE2 3.86Å; H610-Y614 WeakPolarHBondContact O-CB 3.48Å; H610-Y614 PolarHBondContact O-N 3.29Å; K611-Y614 CarbonylContact O-C 3.52Å; K611-Y614 WeakPolarHBondContact O-CA 3.36Å; K611-Y614 WeakPolarHBondContact O-CB 3.49Å; K611-Y614 PolarHBondContact O-N 3.36Å; R612-Y614 PolarHBondContact O-N 2.82Å
615	T	55.7	Low	57.1	Low	68 Å²	68	110.8 Å²	110.8	42%	0.417	58%	0.579	S	S	.	*	H	α-helix	trans	-91.9	-8.1	177.6	50.4	0	0	0	0	113.7	K611 R612 E617	K611-T615 HydrophobicContact CG-CG2 4.43Å; K611-T615 PolarHBondContact O-N 3.48Å; K611-T615 PolarHBondContact O-OG1 3.3Å; R612-T615 PolarHBondContact O-N 2.7Å; R612-T615 PolarHBondContact O-OG1 3.34Å; T615-E617 WeakPolarHBondContact CB-OE2 3.28Å; T615-E617 PolarHBondContact O-N 2.95Å; T615-E617 PolarHBondContact OG1-OE2 3.38Å
616	G	49.9	Very low	56.9	Low	63 Å²	63	113.9 Å²	113.9	65%	0.649	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.8	1.9	177.8	0	0	0	0	0	114.6	R612 K618	R612-G616 PolarHBondContact O-N 3.08Å; G616-K618 PolarHBondContact O-N 3.19Å
617	E	46.3	Very low	56.7	Low	132 Å²	132	117.4 Å²	117.4	62%	0.617	60%	0.604	S	S	*	*			trans	-69.1	87.6	178.2	-66.8	167.1	131.1	0	0	110.2	T615	T615-E617 WeakPolarHBondContact CB-OE2 3.28Å; T615-E617 PolarHBondContact O-N 2.95Å; T615-E617 PolarHBondContact OG1-OE2 3.38Å
618	K	39.9	Very low	56.4	Low	203 Å²	203	122.9 Å²	122.9	88%	0.883	64%	0.636	S	S	*	*			trans	-66	154.6	158.6	-77.3	-175.2	176.1	178.4	0	109.8	G616	G616-K618 PolarHBondContact O-N 3.19Å
619	S	38.8	Very low	56	Low	198 Å²	198	128.7 Å²	128.7	100%	1.385	66%	0.656	S	S	*	*			trans	-68.6	0	-173.5	-50.5	0	0	0	0	114.1

Retrieved 619 of 619 residues in 901.1 ms (Link to these results)

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