X2JDI9_DROME Loading...

N-acetyltransferase domain-containing protein

AlphaFold DB , UniProt , Accession X2JDI9, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG12560, Length 272 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	43.7	Very low	84.7	Confident	242 Å²	242	98.4 Å²	98.4	100%	1.192	55%	0.548	S	S	*	.				0	116.2	0	-64.5	176.2	-159.7	0	0	106.1	T3	M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 VanDerWaalsContact O-N 3.15Å
2	S	50.7	Low	85.7	Confident	123 Å²	123	98.9 Å²	98.9	86%	0.86	54%	0.535	S	S	*	.			trans	-68.9	110.3	174.3	51.4	0	0	0	0	107.5	E4	S2-E4 PolarHBondContact O-N 3.03Å
3	T	69.9	Low	86.6	Confident	127 Å²	127	96.2 Å²	96.2	78%	0.779	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-54.5	128.6	170.1	27.3	0	0	0	0	109	M1	M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 VanDerWaalsContact O-N 3.15Å
4	E	88.1	Confident	87.5	Confident	180 Å²	180	93.2 Å²	93.2	84%	0.841	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-60.9	137.3	174.9	-169.6	174	-170.6	0	0	109.6	S2	S2-E4 PolarHBondContact O-N 3.03Å
5	N	94.1	Very high	88.2	Confident	70 Å²	70	87.2 Å²	87.2	37%	0.374	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-66.6	136.6	-179.7	-77.5	-36.1	0	0	0	110.5	L55 N56 C96	N5-L55 HydrophobicContact CB-CD1 3.95Å; N5-N56 WeakPolarHBondContact CA-OD1 3.32Å; N5-N56 PolarHBondContact OD1-ND2 2.65Å; N5-C96 PolarHBondContact O-SG 3.17Å
6	S	95.7	Very high	88.8	Confident	60 Å²	60	85.3 Å²	85.3	42%	0.42	48%	0.48	S	S	.	.			trans	-144.8	157	178	59.9	0	0	0	0	112.2	N56	S6-N56 PolarHBondContact N-OD1 3.29Å; S6-N56 PolarHBondContact O-N 2.87Å; S6-N56 PolarHBondContact O-OD1 2.91Å
7	L	97.3	Very high	89.4	Confident	41 Å²	41	86.6 Å²	86.6	22%	0.215	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.8	171.8	-71.7	171.8	0	0	0	109.8	L53 S54 A93 C96 L97	L7-L53 HydrophobicContact CB-CB 4.29Å; L7-L53 HydrophobicContact CB-CD1 4.35Å; L7-L53 HydrophobicContact CD1-CD1 3.94Å; L7-L53 HydrophobicContact CD2-CB 4.1Å; L7-S54 WeakPolarHBondContact CA-O 3.21Å; L7-A93 HydrophobicContact CD2-CB 4.05Å; L7-C96 HydrophobicContact CD1-CB 4.15Å; L7-C96 HydrophobicContact CG-CB 3.79Å; L7-L97 HydrophobicContact CD1-CB 4.15Å; L7-L97 HydrophobicContact CD1-CD1 3.8Å
8	V	97.6	Very high	89.9	Confident	62 Å²	62	81.8 Å²	81.8	38%	0.376	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.7	176.9	-177.9	0	0	0	0	108.6	I10 L53 S54	V8-I10 PolarHBondContact O-N 2.85Å; V8-L53 CarbonylContact O-C 3.52Å; V8-L53 WeakPolarHBondContact O-CA 3.22Å; V8-S54 PolarHBondContact N-O 2.88Å; V8-S54 PolarHBondContact O-N 3.5Å; V8-S54 PolarHBondContact O-OG 3.19Å
9	E	98.1	Very high	90.3	Very high	99 Å²	99	79.7 Å²	79.7	46%	0.463	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	132	178.6	-169.5	-179.5	163.9	0	0	111.3	P11 F52 L53	E9-P11 WeakPolarHBondContact O-CD 3.49Å; E9-F52 WeakPolarHBondContact CA-O 3.49Å; E9-L53 HydrophobicContact CB-CD2 4.11Å; E9-L53 HydrophobicContact CG-CD2 4.41Å
10	I	98.5	Very high	90.7	Very high	1 Å²	1	79.9 Å²	79.9	1%	0.005	44%	0.438	C	S	.	.			trans	-80.5	115.7	168.9	-55.4	179.5	0	0	0	106.6	V8 R12 E14 W15 L18 F52 W59 F65	V8-I10 PolarHBondContact O-N 2.85Å; I10-R12 PolarHBondContact O-N 3.08Å; I10-E14 HydrophobicContact CG2-CB 4.03Å; I10-W15 PolarHBondContact O-NE1 2.87Å; I10-L18 HydrophobicContact CD1-CD2 3.84Å; I10-F52 HydrophobicContact CB-CB 4.02Å; I10-F52 HydrophobicContact CD1-CB 4.23Å; I10-F52 HydrophobicContact CG1-CB 4.4Å; I10-F52 PolarHBondContact N-O 3.11Å; I10-W59 HydrophobicContact CD1-CB 3.77Å; I10-W59 HydrophobicContact CD1-CD2 4.17Å; I10-W59 HydrophobicContact CD1-CG 3.57Å; I10-W59 HydrophobicContact CG1-CG 4.06Å; I10-W59 HydrophobicContact CG2-CD2 4.47Å; I10-W59 HydrophobicContact CG2-CZ2 4.36Å; I10-F65 HydrophobicContact CD1-CB 4.21Å
11	P	97.9	Very high	91.1	Very high	77 Å²	77	79.1 Å²	79.1	50%	0.5	43%	0.433	S	S	.	.			trans	-55.4	141.4	-177.6	-25.2	34.2	0	0	0	111.8	E9 G13 E14 W15	E9-P11 WeakPolarHBondContact O-CD 3.49Å; P11-G13 PolarHBondContact O-N 2.87Å; P11-G13 VanDerWaalsContact O-N 3.1Å; P11-E14 HydrophobicContact CB-CG 4.28Å; P11-E14 HydrophobicContact CG-CG 4.44Å; P11-E14 WeakPolarHBondContact O-CA 3.37Å; P11-E14 WeakPolarHBondContact O-CB 3.35Å; P11-E14 PolarHBondContact O-N 3.44Å; P11-W15 VanDerWaalsContact O-CD1 3.24Å
12	R	96.9	Very high	93.6	Very high	105 Å²	105	67.6 Å²	67.6	40%	0.396	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-51.6	-36.9	-179.5	-70.7	-174.7	178.8	-173.3	-1.9	113.9	I10 E14 W15 P46 L48	I10-R12 PolarHBondContact O-N 3.08Å; R12-E14 PolarHBondContact O-N 2.81Å; R12-W15 HydrophobicContact CG-CD2 4.45Å; R12-W15 HydrophobicContact CG-CH2 4.01Å; R12-W15 HydrophobicContact CG-CZ2 3.59Å; R12-W15 PolarHBondContact O-N 2.8Å; R12-P46 PolarHBondContact NH1-O 2.86Å; R12-P46 PolarHBondContact NH2-O 3.02Å; R12-L48 PolarHBondContact NH2-O 3.17Å
13	G	97.5	Very high	95.8	Very high	63 Å²	63	65.5 Å²	65.5	65%	0.649	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-64.4	-14.7	176.6	0	0	0	0	0	114.9	P11	P11-G13 PolarHBondContact O-N 2.87Å; P11-G13 VanDerWaalsContact O-N 3.1Å
14	E	98.4	Very high	96.9	Very high	55 Å²	55	64.2 Å²	64.2	26%	0.257	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-100.9	-4.9	179.7	-60	-70.3	122	0	0	112.8	I10 P11 R12 T16 K17 L18 W59	I10-E14 HydrophobicContact CG2-CB 4.03Å; P11-E14 HydrophobicContact CB-CG 4.28Å; P11-E14 HydrophobicContact CG-CG 4.44Å; P11-E14 WeakPolarHBondContact O-CA 3.37Å; P11-E14 WeakPolarHBondContact O-CB 3.35Å; P11-E14 PolarHBondContact O-N 3.44Å; R12-E14 PolarHBondContact O-N 2.81Å; E14-T16 VanDerWaalsContact C-N 3.29Å; E14-T16 PolarHBondContact O-N 2.87Å; E14-K17 WeakPolarHBondContact O-CB 3.41Å; E14-K17 PolarHBondContact O-N 2.73Å; E14-K17 IonicContact OE1-NZ 3.05Å; E14-K17 PolarHBondContact OE1-NZ 3.49Å; E14-K17 WeakPolarHBondContact OE2-CD 3.49Å; E14-K17 IonicContact OE2-NZ 3.23Å; E14-K17 PolarHBondContact OE2-NZ 3.17Å; E14-L18 PolarHBondContact O-N 2.62Å; E14-L18 VanDerWaalsContact O-N 3.1Å; E14-W59 HydrophobicContact CB-CZ2 3.94Å
15	W	98.5	Very high	96.9	Very high	3 Å²	3	59.8 Å²	59.8	1%	0.011	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-33.7	-175.3	-69.4	6.7	0	0	0	113.1	I10 P11 R12 K17 L18 R19 I39 V42 V50 F52	I10-W15 PolarHBondContact O-NE1 2.87Å; P11-W15 VanDerWaalsContact O-CD1 3.24Å; R12-W15 HydrophobicContact CG-CD2 4.45Å; R12-W15 HydrophobicContact CG-CH2 4.01Å; R12-W15 HydrophobicContact CG-CZ2 3.59Å; R12-W15 PolarHBondContact O-N 2.8Å; W15-K17 VanDerWaalsContact C-N 3.33Å; W15-L18 PolarHBondContact O-N 2.91Å; W15-R19 WeakPolarHBondContact O-CB 3.36Å; W15-R19 PolarHBondContact O-N 3.32Å; W15-I39 HydrophobicContact CB-CD1 3.97Å; W15-I39 HydrophobicContact CB-CG1 3.87Å; W15-I39 HydrophobicContact CE3-CG1 4Å; W15-V42 HydrophobicContact CE3-CG2 4.29Å; W15-V42 HydrophobicContact CH2-CG1 4.1Å; W15-V42 HydrophobicContact CZ3-CB 4.43Å; W15-V42 HydrophobicContact CZ3-CG1 3.82Å; W15-V42 HydrophobicContact CZ3-CG2 3.73Å; W15-V50 HydrophobicContact CH2-CG1 3.99Å; W15-V50 HydrophobicContact CH2-CG2 4.37Å; W15-V50 HydrophobicContact CZ3-CG1 4.46Å; W15-F52 AromaticContact CD2-CD2 3.58Å; W15-F52 HydrophobicContact CD2-CD2 3.58Å; W15-F52 AromaticContact CD2-CE2 3.96Å; W15-F52 HydrophobicContact CD2-CE2 3.96Å; W15-F52 HydrophobicContact CD2-CG 4.48Å; W15-F52 AromaticContact CE2-CD2 3.39Å; W15-F52 AromaticContact CE3-CD2 3.94Å; W15-F52 HydrophobicContact CE3-CD2 3.94Å; W15-F52 AromaticContact CE3-CE2 3.89Å; W15-F52 HydrophobicContact CE3-CE2 3.89Å; W15-F52 HydrophobicContact CG-CD2 4.13Å; W15-F52 AromaticContact CH2-CD2 3.96Å; W15-F52 HydrophobicContact CH2-CD2 3.96Å; W15-F52 HydrophobicContact CH2-CE2 4.31Å; W15-F52 AromaticContact CZ2-CD2 3.6Å; W15-F52 HydrophobicContact CZ2-CD2 3.6Å; W15-F52 HydrophobicContact CZ2-CE2 4.37Å; W15-F52 HydrophobicContact CZ3-CD2 4.11Å; W15-F52 HydrophobicContact CZ3-CE2 4.07Å; W15-F52 AromaticContact NE1-CD2 3.79Å
16	T	98.3	Very high	96.7	Very high	56 Å²	56	58.9 Å²	58.9	34%	0.344	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-39	174.2	49.2	0	0	0	0	111.6	E14 R19 D20 I39	E14-T16 VanDerWaalsContact C-N 3.29Å; E14-T16 PolarHBondContact O-N 2.87Å; T16-R19 WeakPolarHBondContact O-CB 3.5Å; T16-R19 PolarHBondContact O-N 3.33Å; T16-D20 WeakPolarHBondContact O-CB 3.34Å; T16-D20 PolarHBondContact O-N 3.4Å; T16-I39 HydrophobicContact CG2-CD1 4.08Å
17	K	98.6	Very high	96.6	Very high	108 Å²	108	58.6 Å²	58.6	47%	0.47	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-40.1	175.4	-64.6	169	-179.4	173.8	0	111.6	E14 W15 D20 L21 W59	E14-K17 WeakPolarHBondContact O-CB 3.41Å; E14-K17 PolarHBondContact O-N 2.73Å; E14-K17 IonicContact OE1-NZ 3.05Å; E14-K17 PolarHBondContact OE1-NZ 3.49Å; E14-K17 WeakPolarHBondContact OE2-CD 3.49Å; E14-K17 IonicContact OE2-NZ 3.23Å; E14-K17 PolarHBondContact OE2-NZ 3.17Å; W15-K17 VanDerWaalsContact C-N 3.33Å; K17-D20 PolarHBondContact O-N 3.36Å; K17-L21 PolarHBondContact O-N 2.93Å; K17-W59 HydrophobicContact CB-CH2 3.69Å; K17-W59 HydrophobicContact CB-CZ3 4.29Å
18	L	98.6	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-48.4	172.4	174.6	63.6	0	0	0	111.2	I10 E14 W15 D20 L21 Y22 I35 F52 W59 F65	I10-L18 HydrophobicContact CD1-CD2 3.84Å; E14-L18 PolarHBondContact O-N 2.62Å; E14-L18 VanDerWaalsContact O-N 3.1Å; W15-L18 PolarHBondContact O-N 2.91Å; L18-D20 PolarHBondContact O-N 3.44Å; L18-L21 HydrophobicContact CD1-CD1 4.42Å; L18-L21 WeakPolarHBondContact O-CB 3.21Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-L21 VanDerWaalsContact O-N 3.12Å; L18-Y22 HydrophobicContact CD1-CE2 4.27Å; L18-I35 HydrophobicContact CG-CD1 4.2Å; L18-F52 HydrophobicContact CD2-CD1 3.49Å; L18-F52 VanDerWaalsContact CD2-CD1 3.49Å; L18-F52 HydrophobicContact CD2-CE1 3.95Å; L18-F52 HydrophobicContact CD2-CG 4.26Å; L18-W59 HydrophobicContact CB-CE3 3.99Å; L18-W59 HydrophobicContact CB-CZ3 3.9Å; L18-W59 HydrophobicContact CD1-CD2 4.49Å; L18-W59 HydrophobicContact CD1-CE3 3.77Å; L18-W59 HydrophobicContact CD1-CZ3 4.39Å; L18-W59 HydrophobicContact CG-CE3 4.47Å; L18-F65 HydrophobicContact CD1-CD1 4.16Å; L18-F65 HydrophobicContact CD2-CB 4.01Å; L18-F65 HydrophobicContact CD2-CD1 4.09Å; L18-F65 HydrophobicContact CD2-CG 4.03Å; L18-F65 HydrophobicContact CG-CD1 4.49Å
19	R	98	Very high	96.3	Very high	43 Å²	43	54.6 Å²	54.6	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-53.6	-43.9	174.9	-178.4	-159.5	62.6	-160.1	-5.9	111.2	W15 T16 L21 Y22 Y32 I35 N36 I39	W15-R19 WeakPolarHBondContact O-CB 3.36Å; W15-R19 PolarHBondContact O-N 3.32Å; T16-R19 WeakPolarHBondContact O-CB 3.5Å; T16-R19 PolarHBondContact O-N 3.33Å; R19-L21 PolarHBondContact O-N 3.48Å; R19-Y22 WeakPolarHBondContact O-CB 3.4Å; R19-Y22 PolarHBondContact O-N 2.93Å; R19-Y32 HydrophobicContact CG-CD2 3.5Å; R19-Y32 HydrophobicContact CG-CE2 3.59Å; R19-Y32 HydrophobicContact CG-CG 4.1Å; R19-I35 HydrophobicContact CB-CB 4.12Å; R19-I35 HydrophobicContact CB-CG2 3.63Å; R19-I35 HydrophobicContact CG-CB 4.3Å; R19-I35 HydrophobicContact CG-CG2 4.29Å; R19-N36 WeakPolarHBondContact CD-OD1 3.2Å; R19-N36 HydrophobicContact CG-CB 4.29Å; R19-N36 PolarHBondContact NH1-OD1 3.37Å; R19-N36 VanDerWaalsContact NH1-OD1 3.15Å; R19-I39 HydrophobicContact CB-CD1 4.25Å
20	D	98.1	Very high	96.1	Very high	82 Å²	82	49.9 Å²	49.9	44%	0.439	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.4	-175.9	-63.9	-10	0	0	0	113.3	T16 K17 L18 Y22 V23	T16-D20 WeakPolarHBondContact O-CB 3.34Å; T16-D20 PolarHBondContact O-N 3.4Å; K17-D20 PolarHBondContact O-N 3.36Å; L18-D20 PolarHBondContact O-N 3.44Å; D20-Y22 VanDerWaalsContact C-N 3.31Å; D20-V23 HydrophobicContact CB-CG2 4.37Å; D20-V23 WeakPolarHBondContact O-CG2 3.31Å
21	L	98.1	Very high	96	Very high	65 Å²	65	49.9 Å²	49.9	34%	0.34	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.5	165.1	-61.5	177.2	0	0	0	111.8	K17 L18 R19 W59 L83	K17-L21 PolarHBondContact O-N 2.93Å; L18-L21 HydrophobicContact CD1-CD1 4.42Å; L18-L21 WeakPolarHBondContact O-CB 3.21Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-L21 VanDerWaalsContact O-N 3.12Å; R19-L21 PolarHBondContact O-N 3.48Å; L21-W59 HydrophobicContact CD1-CE3 3.9Å; L21-W59 HydrophobicContact CD1-CZ3 3.88Å; L21-L83 HydrophobicContact CB-CD1 3.75Å; L21-L83 VanDerWaalsContact O-CD1 3.31Å; L21-L83 WeakPolarHBondContact O-CD1 3.48Å
22	Y	97.8	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-96	4.2	-173	-77.3	-92.6	0	0	0	114.7	L18 R19 D20 A24 R25 D26 I35 G63 F65 N81 T82 L83	L18-Y22 HydrophobicContact CD1-CE2 4.27Å; R19-Y22 WeakPolarHBondContact O-CB 3.4Å; R19-Y22 PolarHBondContact O-N 2.93Å; D20-Y22 VanDerWaalsContact C-N 3.31Å; Y22-A24 PolarHBondContact O-N 3.4Å; Y22-R25 CarbonylContact O-C 3.57Å; Y22-R25 VanDerWaalsContact O-C 3.23Å; Y22-R25 WeakPolarHBondContact O-CA 3.34Å; Y22-R25 PolarHBondContact O-N 3.3Å; Y22-D26 PolarHBondContact O-N 3.15Å; Y22-I35 HydrophobicContact CD2-CD1 3.69Å; Y22-I35 HydrophobicContact CE2-CD1 4.12Å; Y22-I35 HydrophobicContact CG-CD1 4.24Å; Y22-G63 PolarHBondContact OH-O 2.79Å; Y22-F65 HydrophobicContact CE2-CD1 4.21Å; Y22-F65 HydrophobicContact CE2-CE1 4Å; Y22-F65 AromaticContact CZ-CE1 4Å; Y22-N81 HydrophobicContact CE1-CB 4.11Å; Y22-N81 WeakPolarHBondContact CE1-ND2 3.41Å; Y22-N81 VanDerWaalsContact OH-C 3.28Å; Y22-N81 WeakPolarHBondContact OH-CB 3.48Å; Y22-T82 VanDerWaalsContact OH-CA 3.27Å; Y22-T82 WeakPolarHBondContact OH-CA 3.47Å; Y22-T82 PolarHBondContact OH-N 3.19Å; Y22-T82 VanDerWaalsContact OH-N 3.11Å; Y22-L83 HydrophobicContact CD1-CD2 3.68Å; Y22-L83 HydrophobicContact CD1-CG 4.36Å; Y22-L83 HydrophobicContact CE1-CD2 3.57Å; Y22-L83 HydrophobicContact CE1-CG 3.96Å; Y22-L83 HydrophobicContact CE2-CG 4.31Å; Y22-L83 HydrophobicContact CG-CD2 4.26Å
23	V	95.9	Very high	96	Very high	78 Å²	78	44.1 Å²	44.1	47%	0.473	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-60.6	-31.5	-175.5	-149	0	0	0	0	112.7	D20 R25 Y32	D20-V23 HydrophobicContact CB-CG2 4.37Å; D20-V23 WeakPolarHBondContact O-CG2 3.31Å; V23-R25 PolarHBondContact O-N 3.38Å; V23-Y32 HydrophobicContact CB-CD2 4.49Å; V23-Y32 HydrophobicContact CG1-CD2 4.39Å; V23-Y32 HydrophobicContact CG1-CE2 4.29Å; V23-Y32 HydrophobicContact CG2-CD2 4.33Å; V23-Y32 HydrophobicContact CG2-CE2 4.42Å
24	A	92.9	Very high	96	Very high	100 Å²	100	41.1 Å²	41.1	83%	0.826	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-77.4	-8.5	176.9	0	0	0	0	0	113.7	Y22	Y22-A24 PolarHBondContact O-N 3.4Å
25	R	88.4	Confident	96	Very high	88 Å²	88	38.5 Å²	38.5	33%	0.332	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-126.6	48.7	176.9	-65.3	-170.1	176	-178.8	-2.4	109.6	Y22 V23 T27 D28 L83 E85	Y22-R25 CarbonylContact O-C 3.57Å; Y22-R25 VanDerWaalsContact O-C 3.23Å; Y22-R25 WeakPolarHBondContact O-CA 3.34Å; Y22-R25 PolarHBondContact O-N 3.3Å; V23-R25 PolarHBondContact O-N 3.38Å; R25-T27 PolarHBondContact O-N 3.12Å; R25-D28 HydrophobicContact CB-CB 4.3Å; R25-D28 VanDerWaalsContact O-CB 3.25Å; R25-D28 WeakPolarHBondContact O-CB 3.48Å; R25-D28 PolarHBondContact O-N 3.2Å; R25-D28 VanDerWaalsContact O-N 3.09Å; R25-L83 HydrophobicContact CG-CD2 4.49Å; R25-E85 IonicContact CZ-OE1 2.73Å; R25-E85 IonicContact NH1-OE1 2.64Å; R25-E85 IonicContact NH2-OE1 2.83Å; R25-E85 PolarHBondContact NH2-OE1 2.67Å
26	D	89.9	Confident	95.9	Very high	51 Å²	51	39 Å²	39	27%	0.273	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-4.2	-172.2	70	-17.4	0	0	0	115.2	Y22 P33 Q241	Y22-D26 PolarHBondContact O-N 3.15Å; D26-P33 WeakPolarHBondContact O-CD 3.31Å; D26-P33 WeakPolarHBondContact O-CG 3.36Å; D26-Q241 HydrophobicContact CB-CG 4.34Å; D26-Q241 PolarHBondContact OD2-NE2 3.12Å
27	T	93.3	Very high	95.9	Very high	53 Å²	53	36.5 Å²	36.5	33%	0.325	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-2.6	170.2	62.6	0	0	0	0	113.9	R25 P29 W137 L243 I265	R25-T27 PolarHBondContact O-N 3.12Å; T27-P29 WeakPolarHBondContact O-CD 3.43Å; T27-W137 PolarHBondContact O-NE1 3.41Å; T27-L243 HydrophobicContact CG2-CD2 4.23Å; T27-I265 HydrophobicContact CG2-CD1 4.27Å
28	D	94	Very high	95.8	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.091	17%	0.173	C	C	.	.			trans	-67.6	121.5	177.9	-171.2	-23.7	0	0	0	109.7	R25 Q30 G31 N81	R25-D28 HydrophobicContact CB-CB 4.3Å; R25-D28 VanDerWaalsContact O-CB 3.25Å; R25-D28 WeakPolarHBondContact O-CB 3.48Å; R25-D28 PolarHBondContact O-N 3.2Å; R25-D28 VanDerWaalsContact O-N 3.09Å; D28-Q30 PolarHBondContact O-N 2.9Å; D28-Q30 VanDerWaalsContact O-N 3.1Å; D28-Q30 PolarHBondContact OD1-N 3.16Å; D28-G31 PolarHBondContact O-N 3.18Å; D28-N81 PolarHBondContact OD1-ND2 3.33Å; D28-N81 PolarHBondContact OD2-ND2 3.44Å
29	P	93.6	Very high	95.8	Very high	3 Å²	3	32 Å²	32	2%	0.019	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-40.6	-176.5	-30.3	34.6	0	0	0	114.5	T27 C34 G108 W137 I206 T268	T27-P29 WeakPolarHBondContact O-CD 3.43Å; P29-C34 WeakPolarHBondContact O-CB 3.4Å; P29-G108 WeakPolarHBondContact CB-O 3.24Å; P29-W137 HydrophobicContact CB-CH2 4.32Å; P29-W137 HydrophobicContact CB-CZ2 4.13Å; P29-W137 HydrophobicContact CG-CD2 4.27Å; P29-W137 HydrophobicContact CG-CH2 4.42Å; P29-W137 HydrophobicContact CG-CZ2 3.95Å; P29-I206 HydrophobicContact CB-CD1 4.44Å; P29-I206 WeakPolarHBondContact O-CB 3.35Å; P29-I206 WeakPolarHBondContact O-CG2 3.26Å; P29-T268 HydrophobicContact CB-CG2 4.04Å; P29-T268 HydrophobicContact CG-CG2 3.89Å; P29-T268 WeakPolarHBondContact CG-OG1 3.43Å
30	Q	95.9	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	7.5	-178.8	-63.3	-178.8	-10.2	0	0	112.3	D28 F65 Y79 F80 N81 F107 G108 I206	D28-Q30 PolarHBondContact O-N 2.9Å; D28-Q30 VanDerWaalsContact O-N 3.1Å; D28-Q30 PolarHBondContact OD1-N 3.16Å; Q30-F65 VanDerWaalsContact O-CZ 3.24Å; Q30-F65 WeakPolarHBondContact O-CZ 3.41Å; Q30-Y79 HydrophobicContact CG-CD1 4.4Å; Q30-F80 PolarHBondContact OE1-O 3.03Å; Q30-N81 HydrophobicContact CB-CB 4.31Å; Q30-F107 PolarHBondContact NE2-O 3.29Å; Q30-G108 VanDerWaalsContact CG-O 3.28Å; Q30-G108 WeakPolarHBondContact CG-O 3.5Å; Q30-G108 PolarHBondContact NE2-O 3.1Å; Q30-I206 HydrophobicContact CG-CG2 4.4Å
31	G	95.9	Very high	95.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-85.7	-131.9	176.9	0	0	0	0	0	112.7	D28 C34 I35	D28-G31 PolarHBondContact O-N 3.18Å; G31-C34 PolarHBondContact O-N 2.78Å; G31-I35 WeakPolarHBondContact O-CG1 3.32Å; G31-I35 PolarHBondContact O-N 3.24Å; G31-I35 VanDerWaalsContact O-N 3.12Å
32	Y	97.5	Very high	95.7	Very high	56 Å²	56	26.9 Å²	26.9	22%	0.22	15%	0.15	C	C	.	.	H	α-helix	trans	-51.2	-49	-174.2	-177.3	-79.3	0	0	0	113.8	R19 V23 C34 I35 N36	R19-Y32 HydrophobicContact CG-CD2 3.5Å; R19-Y32 HydrophobicContact CG-CE2 3.59Å; R19-Y32 HydrophobicContact CG-CG 4.1Å; V23-Y32 HydrophobicContact CB-CD2 4.49Å; V23-Y32 HydrophobicContact CG1-CD2 4.39Å; V23-Y32 HydrophobicContact CG1-CE2 4.29Å; V23-Y32 HydrophobicContact CG2-CD2 4.33Å; V23-Y32 HydrophobicContact CG2-CE2 4.42Å; Y32-C34 VanDerWaalsContact C-N 3.35Å; Y32-C34 PolarHBondContact O-N 3.46Å; Y32-I35 PolarHBondContact O-N 2.84Å; Y32-N36 HydrophobicContact CD1-CB 4.39Å; Y32-N36 HydrophobicContact CE1-CB 4.16Å; Y32-N36 WeakPolarHBondContact O-CB 3.42Å; Y32-N36 PolarHBondContact O-N 3.47Å
33	P	95.9	Very high	95.6	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-41.9	-176.9	-23.7	35.4	0	0	0	112.8	D26 N37 L243	D26-P33 WeakPolarHBondContact O-CD 3.31Å; D26-P33 WeakPolarHBondContact O-CG 3.36Å; P33-N37 WeakPolarHBondContact O-CB 3.33Å; P33-N37 PolarHBondContact O-N 2.94Å; P33-L243 HydrophobicContact CG-CD1 4.18Å
34	C	97.6	Very high	95.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-51.6	179.2	-174.3	0	0	0	0	111.4	P29 G31 Y32 N36 N37 F38	P29-C34 WeakPolarHBondContact O-CB 3.4Å; G31-C34 PolarHBondContact O-N 2.78Å; Y32-C34 VanDerWaalsContact C-N 3.35Å; Y32-C34 PolarHBondContact O-N 3.46Å; C34-N36 PolarHBondContact O-N 3.45Å; C34-N37 WeakPolarHBondContact O-CB 3.33Å; C34-N37 PolarHBondContact O-N 3.41Å; C34-N37 VanDerWaalsContact O-N 3.16Å; C34-F38 WeakPolarHBondContact O-CD2 3.33Å; C34-F38 PolarHBondContact O-N 3.27Å; C34-F38 VanDerWaalsContact O-N 3.08Å
35	I	98.3	Very high	95.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-47	-178.4	-55.5	161.4	0	0	0	110.2	L18 R19 Y22 G31 Y32 N37 F38 I39 F52 F65	L18-I35 HydrophobicContact CG-CD1 4.2Å; R19-I35 HydrophobicContact CB-CB 4.12Å; R19-I35 HydrophobicContact CB-CG2 3.63Å; R19-I35 HydrophobicContact CG-CB 4.3Å; R19-I35 HydrophobicContact CG-CG2 4.29Å; Y22-I35 HydrophobicContact CD2-CD1 3.69Å; Y22-I35 HydrophobicContact CE2-CD1 4.12Å; Y22-I35 HydrophobicContact CG-CD1 4.24Å; G31-I35 WeakPolarHBondContact O-CG1 3.32Å; G31-I35 PolarHBondContact O-N 3.24Å; G31-I35 VanDerWaalsContact O-N 3.12Å; Y32-I35 PolarHBondContact O-N 2.84Å; I35-N37 VanDerWaalsContact C-N 3.26Å; I35-N37 PolarHBondContact O-N 3.25Å; I35-F38 PolarHBondContact O-N 3.21Å; I35-I39 HydrophobicContact CG2-CD1 4.11Å; I35-I39 WeakPolarHBondContact O-CG1 3.48Å; I35-I39 PolarHBondContact O-N 3.24Å; I35-F52 HydrophobicContact CB-CE1 4.45Å; I35-F52 HydrophobicContact CB-CZ 4.23Å; I35-F52 HydrophobicContact CG1-CE1 3.91Å; I35-F52 HydrophobicContact CG1-CZ 4.13Å; I35-F52 HydrophobicContact CG2-CE1 4.13Å; I35-F52 HydrophobicContact CG2-CZ 3.86Å; I35-F65 HydrophobicContact CD1-CE1 3.9Å; I35-F65 HydrophobicContact CD1-CZ 4.28Å; I35-F65 HydrophobicContact CG1-CE1 4.24Å; I35-F65 HydrophobicContact CG1-CZ 4.12Å
36	N	97.4	Very high	96.2	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-37.6	178.2	-164.4	50.8	0	0	0	112.1	R19 Y32 C34 I39 K40 D240	R19-N36 WeakPolarHBondContact CD-OD1 3.2Å; R19-N36 HydrophobicContact CG-CB 4.29Å; R19-N36 PolarHBondContact NH1-OD1 3.37Å; R19-N36 VanDerWaalsContact NH1-OD1 3.15Å; Y32-N36 HydrophobicContact CD1-CB 4.39Å; Y32-N36 HydrophobicContact CE1-CB 4.16Å; Y32-N36 WeakPolarHBondContact O-CB 3.42Å; Y32-N36 PolarHBondContact O-N 3.47Å; C34-N36 PolarHBondContact O-N 3.45Å; N36-I39 PolarHBondContact O-N 3.5Å; N36-K40 WeakPolarHBondContact ND2-CE 3.18Å; N36-K40 PolarHBondContact ND2-NZ 3.05Å; N36-K40 WeakPolarHBondContact O-CG 3.44Å; N36-K40 PolarHBondContact O-N 2.89Å; N36-K40 VanDerWaalsContact O-N 3.14Å; N36-D240 PolarHBondContact ND2-OD1 3.43Å
37	N	97.3	Very high	96.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-43.5	179	-163.9	71.1	0	0	0	111.8	P33 C34 I35 K40 W41 N185 P205	P33-N37 WeakPolarHBondContact O-CB 3.33Å; P33-N37 PolarHBondContact O-N 2.94Å; C34-N37 WeakPolarHBondContact O-CB 3.33Å; C34-N37 PolarHBondContact O-N 3.41Å; C34-N37 VanDerWaalsContact O-N 3.16Å; I35-N37 VanDerWaalsContact C-N 3.26Å; I35-N37 PolarHBondContact O-N 3.25Å; N37-K40 PolarHBondContact O-N 2.96Å; N37-W41 VanDerWaalsContact ND2-CE2 3.34Å; N37-W41 PolarHBondContact ND2-NE1 2.92Å; N37-W41 PolarHBondContact O-N 3.32Å; N37-N185 PolarHBondContact ND2-OD1 2.97Å; N37-N185 PolarHBondContact OD1-OD1 3.17Å; N37-P205 WeakPolarHBondContact CB-O 3.49Å; N37-P205 PolarHBondContact ND2-O 3Å
38	F	98	Very high	96.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-30.6	177.1	-79.6	-73	0	0	0	113.7	C34 I35 W41 V42 V50 F52 L67 L69 Y79 P205	C34-F38 WeakPolarHBondContact O-CD2 3.33Å; C34-F38 PolarHBondContact O-N 3.27Å; C34-F38 VanDerWaalsContact O-N 3.08Å; I35-F38 PolarHBondContact O-N 3.21Å; F38-W41 HydrophobicContact CD1-CD2 4.41Å; F38-W41 AromaticContact CD1-CE3 3.98Å; F38-W41 HydrophobicContact CD1-CE3 3.98Å; F38-W41 AromaticContact CE1-CE3 3.76Å; F38-W41 HydrophobicContact CE1-CE3 3.76Å; F38-W41 AromaticContact CE1-CZ3 3.96Å; F38-W41 HydrophobicContact CE1-CZ3 3.96Å; F38-W41 PolarHBondContact O-N 3.29Å; F38-V42 WeakPolarHBondContact O-CG2 3.47Å; F38-V42 PolarHBondContact O-N 3.28Å; F38-V42 VanDerWaalsContact O-N 3.07Å; F38-V50 HydrophobicContact CD1-CB 4.44Å; F38-V50 HydrophobicContact CD1-CG2 3.77Å; F38-V50 HydrophobicContact CE1-CG2 4.21Å; F38-V50 HydrophobicContact CG-CG2 4.24Å; F38-F52 HydrophobicContact CB-CE2 4.23Å; F38-L67 HydrophobicContact CD2-CD2 3.42Å; F38-L67 VanDerWaalsContact CD2-CD2 3.42Å; F38-L67 HydrophobicContact CE2-CD2 3.49Å; F38-L67 VanDerWaalsContact CE2-CD2 3.49Å; F38-L67 HydrophobicContact CG-CD2 4.13Å; F38-L67 HydrophobicContact CZ-CD2 4.28Å; F38-L69 HydrophobicContact CE1-CB 4.32Å; F38-L69 HydrophobicContact CE1-CD1 4.16Å; F38-L69 HydrophobicContact CE1-CD2 4.02Å; F38-L69 HydrophobicContact CE1-CG 4.39Å; F38-L69 HydrophobicContact CZ-CB 4.38Å; F38-L69 HydrophobicContact CZ-CD2 4.14Å; F38-Y79 HydrophobicContact CE2-CD2 4.28Å; F38-Y79 HydrophobicContact CE2-CE1 4.42Å; F38-Y79 AromaticContact CE2-CE2 3.93Å; F38-Y79 HydrophobicContact CE2-CE2 3.93Å; F38-Y79 HydrophobicContact CZ-CD2 4.44Å; F38-Y79 AromaticContact CZ-CE2 3.72Å; F38-Y79 HydrophobicContact CZ-CE2 3.72Å; F38-Y79 AromaticContact CZ-CZ 3.89Å; F38-P205 HydrophobicContact CE2-CB 3.8Å; F38-P205 HydrophobicContact CZ-CB 3.68Å
39	I	98.1	Very high	96.4	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.077	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-50.3	168.7	-68.6	165.5	0	0	0	109.9	W15 T16 R19 I35 N36 W41 V42 E43	W15-I39 HydrophobicContact CB-CD1 3.97Å; W15-I39 HydrophobicContact CB-CG1 3.87Å; W15-I39 HydrophobicContact CE3-CG1 4Å; T16-I39 HydrophobicContact CG2-CD1 4.08Å; R19-I39 HydrophobicContact CB-CD1 4.25Å; I35-I39 HydrophobicContact CG2-CD1 4.11Å; I35-I39 WeakPolarHBondContact O-CG1 3.48Å; I35-I39 PolarHBondContact O-N 3.24Å; N36-I39 PolarHBondContact O-N 3.5Å; I39-W41 VanDerWaalsContact C-N 3.3Å; I39-W41 PolarHBondContact O-N 3.38Å; I39-V42 WeakPolarHBondContact O-CG2 3.35Å; I39-V42 PolarHBondContact O-N 3.5Å; I39-E43 WeakPolarHBondContact O-CG 3.26Å; I39-E43 PolarHBondContact O-N 3.45Å; I39-E43 VanDerWaalsContact O-N 3.15Å
40	K	97.3	Very high	96.6	Very high	62 Å²	62	39 Å²	39	27%	0.27	19%	0.191	S	C	.	.	H	α-helix	trans	-60.8	-38.1	176.6	-67	172	-176.1	176.7	0	112.1	N36 N37 E43 I44 D240	N36-K40 WeakPolarHBondContact ND2-CE 3.18Å; N36-K40 PolarHBondContact ND2-NZ 3.05Å; N36-K40 WeakPolarHBondContact O-CG 3.44Å; N36-K40 PolarHBondContact O-N 2.89Å; N36-K40 VanDerWaalsContact O-N 3.14Å; N37-K40 PolarHBondContact O-N 2.96Å; K40-E43 WeakPolarHBondContact O-CB 3.45Å; K40-E43 PolarHBondContact O-N 3.15Å; K40-I44 WeakPolarHBondContact O-CG1 3.46Å; K40-I44 PolarHBondContact O-N 3.03Å; K40-D240 IonicContact NZ-OD1 3.92Å; K40-D240 PolarHBondContact NZ-OD1 2.81Å; K40-D240 IonicContact NZ-OD2 2.98Å; K40-D240 PolarHBondContact NZ-OD2 3.43Å
41	W	97.4	Very high	96.6	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-43	179	-76.1	22.3	0	0	0	112.3	N37 F38 I39 E43 I44 D45 L48 L69 L181 Y184 N185 P205	N37-W41 VanDerWaalsContact ND2-CE2 3.34Å; N37-W41 PolarHBondContact ND2-NE1 2.92Å; N37-W41 PolarHBondContact O-N 3.32Å; F38-W41 HydrophobicContact CD1-CD2 4.41Å; F38-W41 AromaticContact CD1-CE3 3.98Å; F38-W41 HydrophobicContact CD1-CE3 3.98Å; F38-W41 AromaticContact CE1-CE3 3.76Å; F38-W41 HydrophobicContact CE1-CE3 3.76Å; F38-W41 AromaticContact CE1-CZ3 3.96Å; F38-W41 HydrophobicContact CE1-CZ3 3.96Å; F38-W41 PolarHBondContact O-N 3.29Å; I39-W41 VanDerWaalsContact C-N 3.3Å; I39-W41 PolarHBondContact O-N 3.38Å; W41-E43 VanDerWaalsContact C-N 3.31Å; W41-E43 PolarHBondContact O-N 3.5Å; W41-I44 PolarHBondContact O-N 2.94Å; W41-D45 PolarHBondContact O-N 2.97Å; W41-L48 HydrophobicContact CB-CD2 3.94Å; W41-L48 HydrophobicContact CE3-CD2 3.8Å; W41-L69 HydrophobicContact CZ3-CD2 4.19Å; W41-L181 HydrophobicContact CH2-CD2 3.95Å; W41-L181 HydrophobicContact CZ2-CD2 4.06Å; W41-Y184 VanDerWaalsContact CD1-CB 3.45Å; W41-Y184 AromaticContact CD2-CD2 3.89Å; W41-Y184 HydrophobicContact CD2-CD2 3.89Å; W41-Y184 HydrophobicContact CD2-CG 4.04Å; W41-Y184 VanDerWaalsContact CE2-CB 3.43Å; W41-Y184 AromaticContact CE3-CD2 3.89Å; W41-Y184 HydrophobicContact CE3-CD2 3.89Å; W41-Y184 HydrophobicContact CE3-CG 4.49Å; W41-Y184 HydrophobicContact CG-CD2 4.4Å; W41-Y184 HydrophobicContact CG-CG 4.12Å; W41-Y184 HydrophobicContact CH2-CD2 4.36Å; W41-Y184 HydrophobicContact CZ2-CD2 4.37Å; W41-Y184 HydrophobicContact CZ3-CD2 4.14Å; W41-Y184 PolarHBondContact NE1-O 2.91Å; W41-N185 PolarHBondContact NE1-OD1 3.33Å; W41-P205 HydrophobicContact CH2-CB 4.39Å; W41-P205 HydrophobicContact CH2-CG 3.96Å; W41-P205 HydrophobicContact CZ2-CG 4.46Å
42	V	97.2	Very high	96.7	Very high	18 Å²	18	41.2 Å²	41.2	11%	0.109	20%	0.203	C	C	.	.	H	α-helix	trans	-75	-20.7	179	-61.1	0	0	0	0	113.5	W15 F38 I39 I44 D45 P46 L48 V50	W15-V42 HydrophobicContact CE3-CG2 4.29Å; W15-V42 HydrophobicContact CH2-CG1 4.1Å; W15-V42 HydrophobicContact CZ3-CB 4.43Å; W15-V42 HydrophobicContact CZ3-CG1 3.82Å; W15-V42 HydrophobicContact CZ3-CG2 3.73Å; F38-V42 WeakPolarHBondContact O-CG2 3.47Å; F38-V42 PolarHBondContact O-N 3.28Å; F38-V42 VanDerWaalsContact O-N 3.07Å; I39-V42 WeakPolarHBondContact O-CG2 3.35Å; I39-V42 PolarHBondContact O-N 3.5Å; V42-I44 VanDerWaalsContact C-N 3.34Å; V42-D45 CarbonylContact O-C 3.59Å; V42-P46 VanDerWaalsContact O-CA 3.32Å; V42-P46 WeakPolarHBondContact O-CA 3.41Å; V42-L48 HydrophobicContact CG1-CB 4.45Å; V42-L48 HydrophobicContact CG1-CD2 4.45Å; V42-V50 HydrophobicContact CG1-CG1 3.29Å
43	E	96.4	Very high	96.8	Very high	140 Å²	140	39.8 Å²	39.8	65%	0.654	20%	0.199	S	C	*	.	H	α-helix	trans	-66.6	-37.9	167.7	-71.5	171.1	175.5	0	0	111.2	I39 K40 W41	I39-E43 WeakPolarHBondContact O-CG 3.26Å; I39-E43 PolarHBondContact O-N 3.45Å; I39-E43 VanDerWaalsContact O-N 3.15Å; K40-E43 WeakPolarHBondContact O-CB 3.45Å; K40-E43 PolarHBondContact O-N 3.15Å; W41-E43 VanDerWaalsContact C-N 3.31Å; W41-E43 PolarHBondContact O-N 3.5Å
44	I	96.6	Very high	96.9	Very high	95 Å²	95	39.6 Å²	39.6	49%	0.487	20%	0.197	S	C	.	.	H	α-helix	trans	-75.9	-42.9	176	-61	165.5	0	0	0	111.1	K40 W41 V42 Y184	K40-I44 WeakPolarHBondContact O-CG1 3.46Å; K40-I44 PolarHBondContact O-N 3.03Å; W41-I44 PolarHBondContact O-N 2.94Å; V42-I44 VanDerWaalsContact C-N 3.34Å; I44-Y184 HydrophobicContact CB-CD1 4.1Å; I44-Y184 HydrophobicContact CB-CE1 4.42Å; I44-Y184 HydrophobicContact CD1-CD1 4.28Å; I44-Y184 HydrophobicContact CG2-CD1 3.77Å; I44-Y184 HydrophobicContact CG2-CE1 3.91Å
45	D	96.3	Very high	96.9	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.182	20%	0.199	C	C	.	.			trans	-134.8	91	-178.6	-167.7	-20.8	0	0	0	111.5	W41 V42 Q47 L48 K183 Y184	W41-D45 PolarHBondContact O-N 2.97Å; V42-D45 CarbonylContact O-C 3.59Å; D45-Q47 PolarHBondContact O-N 3.43Å; D45-Q47 VanDerWaalsContact O-N 3.09Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.27Å; D45-Q47 PolarHBondContact OD1-N 2.96Å; D45-L48 VanDerWaalsContact O-CB 3.29Å; D45-L48 WeakPolarHBondContact O-CB 3.36Å; D45-L48 PolarHBondContact O-N 2.97Å; D45-L48 VanDerWaalsContact O-N 3.1Å; D45-L48 PolarHBondContact OD1-N 3.33Å; D45-K183 IonicContact OD2-NZ 3.22Å; D45-K183 PolarHBondContact OD2-NZ 2.63Å; D45-Y184 HydrophobicContact CB-CE1 3.79Å; D45-Y184 PolarHBondContact OD2-OH 3.47Å
46	P	95.5	Very high	96.8	Very high	81 Å²	81	43.2 Å²	43.2	53%	0.526	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.9	179.3	-25.6	35.1	0	0	0	114.4	R12 V42 L48	R12-P46 PolarHBondContact NH1-O 2.86Å; R12-P46 PolarHBondContact NH2-O 3.02Å; V42-P46 VanDerWaalsContact O-CA 3.32Å; V42-P46 WeakPolarHBondContact O-CA 3.41Å; P46-L48 VanDerWaalsContact C-N 3.34Å
47	Q	94.3	Very high	96.8	Very high	174 Å²	174	44 Å²	44	81%	0.813	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.5	-179.8	-60.7	-174.4	-0.3	0	0	112.8	D45 K49	D45-Q47 PolarHBondContact O-N 3.43Å; D45-Q47 VanDerWaalsContact O-N 3.09Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.27Å; D45-Q47 PolarHBondContact OD1-N 2.96Å; Q47-K49 PolarHBondContact O-N 3.23Å
48	L	94.3	Very high	96.8	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.11	24%	0.242	C	C	.	.			trans	-54.5	130.2	176.6	-171.1	70.9	0	0	0	110.7	R12 W41 V42 D45 P46 V50 L69 Y184	R12-L48 PolarHBondContact NH2-O 3.17Å; W41-L48 HydrophobicContact CB-CD2 3.94Å; W41-L48 HydrophobicContact CE3-CD2 3.8Å; V42-L48 HydrophobicContact CG1-CB 4.45Å; V42-L48 HydrophobicContact CG1-CD2 4.45Å; D45-L48 VanDerWaalsContact O-CB 3.29Å; D45-L48 WeakPolarHBondContact O-CB 3.36Å; D45-L48 PolarHBondContact O-N 2.97Å; D45-L48 VanDerWaalsContact O-N 3.1Å; D45-L48 PolarHBondContact OD1-N 3.33Å; P46-L48 VanDerWaalsContact C-N 3.34Å; L48-V50 HydrophobicContact CB-CG1 4.15Å; L48-V50 HydrophobicContact CD2-CB 4.26Å; L48-V50 HydrophobicContact CD2-CG1 3.73Å; L48-V50 HydrophobicContact CG-CB 4.36Å; L48-V50 HydrophobicContact CG-CG1 3.92Å; L48-V50 PolarHBondContact O-N 3.22Å; L48-L69 HydrophobicContact CD1-CD1 4.1Å; L48-L69 HydrophobicContact CD2-CD1 4.25Å; L48-L69 HydrophobicContact CG-CD1 4.16Å; L48-Y184 HydrophobicContact CD1-CE2 4.48Å
49	K	94.7	Very high	96.8	Very high	99 Å²	99	47.1 Å²	47.1	43%	0.43	24%	0.244	S	C	.	.			trans	-80.4	64.9	-178.1	-62.2	176.8	-177.1	171.1	0	110.9	Q47 R70 D72	Q47-K49 PolarHBondContact O-N 3.23Å; K49-R70 HydrophobicContact CB-CB 3.98Å; K49-R70 PolarHBondContact O-N 2.93Å; K49-D72 IonicContact NZ-OD1 2.71Å; K49-D72 PolarHBondContact NZ-OD1 2.89Å; K49-D72 IonicContact NZ-OD2 3.16Å; K49-D72 PolarHBondContact NZ-OD2 3.24Å
50	V	96.3	Very high	96.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.3	179.4	55.3	0	0	0	0	110.8	W15 F38 V42 L48 L67 T68 L69	W15-V50 HydrophobicContact CH2-CG1 3.99Å; W15-V50 HydrophobicContact CH2-CG2 4.37Å; W15-V50 HydrophobicContact CZ3-CG1 4.46Å; F38-V50 HydrophobicContact CD1-CB 4.44Å; F38-V50 HydrophobicContact CD1-CG2 3.77Å; F38-V50 HydrophobicContact CE1-CG2 4.21Å; F38-V50 HydrophobicContact CG-CG2 4.24Å; V42-V50 HydrophobicContact CG1-CG1 3.29Å; L48-V50 HydrophobicContact CB-CG1 4.15Å; L48-V50 HydrophobicContact CD2-CB 4.26Å; L48-V50 HydrophobicContact CD2-CG1 3.73Å; L48-V50 HydrophobicContact CG-CB 4.36Å; L48-V50 HydrophobicContact CG-CG1 3.92Å; L48-V50 PolarHBondContact O-N 3.22Å; V50-L67 HydrophobicContact CG2-CD1 3.39Å; V50-L67 HydrophobicContact CG2-CG 4.46Å; V50-T68 VanDerWaalsContact CA-O 3.27Å; V50-T68 WeakPolarHBondContact CA-O 3.1Å; V50-L69 HydrophobicContact CB-CD1 4.36Å
51	N	96.8	Very high	96.7	Very high	47 Å²	47	51.8 Å²	51.8	25%	0.251	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.8	-179.4	-54.8	-54.2	0	0	0	111	L53 L67 T68	N51-L53 HydrophobicContact CB-CD2 4.18Å; N51-L53 HydrophobicContact CB-CG 4.45Å; N51-L67 WeakPolarHBondContact O-CA 3.33Å; N51-L67 WeakPolarHBondContact O-CD1 3.18Å; N51-T68 PolarHBondContact N-O 3.36Å; N51-T68 PolarHBondContact O-N 3.1Å
52	F	98.4	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.4	163.1	-78.9	-94.8	0	0	0	109.1	E9 I10 W15 L18 I35 F38 F65 V66 L67	E9-F52 WeakPolarHBondContact CA-O 3.49Å; I10-F52 HydrophobicContact CB-CB 4.02Å; I10-F52 HydrophobicContact CD1-CB 4.23Å; I10-F52 HydrophobicContact CG1-CB 4.4Å; I10-F52 PolarHBondContact N-O 3.11Å; W15-F52 AromaticContact CD2-CD2 3.58Å; W15-F52 HydrophobicContact CD2-CD2 3.58Å; W15-F52 AromaticContact CD2-CE2 3.96Å; W15-F52 HydrophobicContact CD2-CE2 3.96Å; W15-F52 HydrophobicContact CD2-CG 4.48Å; W15-F52 AromaticContact CE2-CD2 3.39Å; W15-F52 AromaticContact CE3-CD2 3.94Å; W15-F52 HydrophobicContact CE3-CD2 3.94Å; W15-F52 AromaticContact CE3-CE2 3.89Å; W15-F52 HydrophobicContact CE3-CE2 3.89Å; W15-F52 HydrophobicContact CG-CD2 4.13Å; W15-F52 AromaticContact CH2-CD2 3.96Å; W15-F52 HydrophobicContact CH2-CD2 3.96Å; W15-F52 HydrophobicContact CH2-CE2 4.31Å; W15-F52 AromaticContact CZ2-CD2 3.6Å; W15-F52 HydrophobicContact CZ2-CD2 3.6Å; W15-F52 HydrophobicContact CZ2-CE2 4.37Å; W15-F52 HydrophobicContact CZ3-CD2 4.11Å; W15-F52 HydrophobicContact CZ3-CE2 4.07Å; W15-F52 AromaticContact NE1-CD2 3.79Å; L18-F52 HydrophobicContact CD2-CD1 3.49Å; L18-F52 VanDerWaalsContact CD2-CD1 3.49Å; L18-F52 HydrophobicContact CD2-CE1 3.95Å; L18-F52 HydrophobicContact CD2-CG 4.26Å; I35-F52 HydrophobicContact CB-CE1 4.45Å; I35-F52 HydrophobicContact CB-CZ 4.23Å; I35-F52 HydrophobicContact CG1-CE1 3.91Å; I35-F52 HydrophobicContact CG1-CZ 4.13Å; I35-F52 HydrophobicContact CG2-CE1 4.13Å; I35-F52 HydrophobicContact CG2-CZ 3.86Å; F38-F52 HydrophobicContact CB-CE2 4.23Å; F52-F65 HydrophobicContact CD1-CB 4.39Å; F52-F65 AromaticContact CD1-CD2 3.58Å; F52-F65 HydrophobicContact CD1-CD2 3.58Å; F52-F65 HydrophobicContact CD1-CE2 4.05Å; F52-F65 HydrophobicContact CD1-CG 4.04Å; F52-F65 AromaticContact CE1-CD2 3.7Å; F52-F65 HydrophobicContact CE1-CD2 3.7Å; F52-F65 AromaticContact CE1-CE2 3.66Å; F52-F65 HydrophobicContact CE1-CE2 3.66Å; F52-F65 HydrophobicContact CE1-CG 4.32Å; F52-F65 HydrophobicContact CE1-CZ 4.22Å; F52-V66 CarbonylContact C-O 3.59Å; F52-L67 HydrophobicContact CD1-CB 4.21Å; F52-L67 HydrophobicContact CD1-CD1 4.12Å; F52-L67 HydrophobicContact CD2-CD1 3.49Å; F52-L67 VanDerWaalsContact CD2-CD1 3.49Å; F52-L67 HydrophobicContact CE1-CB 4.05Å; F52-L67 HydrophobicContact CE1-CD1 3.98Å; F52-L67 HydrophobicContact CE1-CD2 4.03Å; F52-L67 HydrophobicContact CE1-CG 4.25Å; F52-L67 HydrophobicContact CE2-CD1 3.36Å; F52-L67 HydrophobicContact CE2-CD2 4.19Å; F52-L67 HydrophobicContact CE2-CG 4.32Å; F52-L67 HydrophobicContact CG-CD1 3.89Å; F52-L67 HydrophobicContact CZ-CB 4.4Å; F52-L67 HydrophobicContact CZ-CD1 3.61Å; F52-L67 HydrophobicContact CZ-CD2 3.65Å; F52-L67 HydrophobicContact CZ-CG 4.09Å
53	L	98.3	Very high	96.7	Very high	27 Å²	27	52.1 Å²	52.1	14%	0.141	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.3	-175.3	-53.3	173.7	0	0	0	109.2	L7 V8 E9 N51 F65 V66 L97	L7-L53 HydrophobicContact CB-CB 4.29Å; L7-L53 HydrophobicContact CB-CD1 4.35Å; L7-L53 HydrophobicContact CD1-CD1 3.94Å; L7-L53 HydrophobicContact CD2-CB 4.1Å; V8-L53 CarbonylContact O-C 3.52Å; V8-L53 WeakPolarHBondContact O-CA 3.22Å; E9-L53 HydrophobicContact CB-CD2 4.11Å; E9-L53 HydrophobicContact CG-CD2 4.41Å; N51-L53 HydrophobicContact CB-CD2 4.18Å; N51-L53 HydrophobicContact CB-CG 4.45Å; L53-F65 CarbonylContact O-C 3.56Å; L53-F65 VanDerWaalsContact O-CA 3.26Å; L53-F65 WeakPolarHBondContact O-CA 3.19Å; L53-V66 HydrophobicContact CB-CB 4.41Å; L53-V66 WeakPolarHBondContact CB-O 3.5Å; L53-V66 PolarHBondContact N-O 3.15Å; L53-V66 PolarHBondContact O-N 3.31Å; L53-L97 HydrophobicContact CD1-CD1 4.3Å
54	S	98.1	Very high	96.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151	178.2	60.8	0	0	0	0	110.6	L7 V8 N56 G57	L7-S54 WeakPolarHBondContact CA-O 3.21Å; V8-S54 PolarHBondContact N-O 2.88Å; V8-S54 PolarHBondContact O-N 3.5Å; V8-S54 PolarHBondContact O-OG 3.19Å; S54-N56 PolarHBondContact O-N 3.1Å; S54-G57 WeakPolarHBondContact OG-CA 3.37Å; S54-G57 PolarHBondContact OG-N 3.18Å
55	L	98.1	Very high	96.9	Very high	7 Å²	7	41 Å²	41	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	117	173.8	-173.1	66.6	0	0	0	109.4	N5 G57 D58 R89 K92 A93	N5-L55 HydrophobicContact CB-CD1 3.95Å; L55-G57 PolarHBondContact O-N 3.08Å; L55-G57 VanDerWaalsContact O-N 3.14Å; L55-D58 PolarHBondContact O-N 3.05Å; L55-R89 HydrophobicContact CB-CG 4.42Å; L55-R89 HydrophobicContact CD2-CG 3.89Å; L55-R89 PolarHBondContact O-NH2 2.92Å; L55-K92 HydrophobicContact CD1-CB 4.49Å; L55-K92 HydrophobicContact CD2-CB 3.79Å; L55-A93 HydrophobicContact CB-CB 4.16Å
56	N	97.2	Very high	97	Very high	70 Å²	70	39.4 Å²	39.4	37%	0.374	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	24.3	179.2	-53.6	-34	0	0	0	114.5	N5 S6 S54 D58	N5-N56 WeakPolarHBondContact CA-OD1 3.32Å; N5-N56 PolarHBondContact OD1-ND2 2.65Å; S6-N56 PolarHBondContact N-OD1 3.29Å; S6-N56 PolarHBondContact O-N 2.87Å; S6-N56 PolarHBondContact O-OD1 2.91Å; S54-N56 PolarHBondContact O-N 3.1Å; N56-D58 VanDerWaalsContact C-N 3.3Å; N56-D58 PolarHBondContact O-N 3.3Å
57	G	96.9	Very high	97.1	Very high	29 Å²	29	35.5 Å²	35.5	30%	0.299	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.4	177.1	0	0	0	0	0	115.7	S54 L55	S54-G57 WeakPolarHBondContact OG-CA 3.37Å; S54-G57 PolarHBondContact OG-N 3.18Å; L55-G57 PolarHBondContact O-N 3.08Å; L55-G57 VanDerWaalsContact O-N 3.14Å
58	D	96.9	Very high	97.2	Very high	57 Å²	57	27.4 Å²	27.4	31%	0.305	15%	0.15	S	C	.	.			trans	-102.6	100.6	-178	166.7	36.8	0	0	0	110.5	L55 N56 S61 R89	L55-D58 PolarHBondContact O-N 3.05Å; N56-D58 VanDerWaalsContact C-N 3.3Å; N56-D58 PolarHBondContact O-N 3.3Å; D58-S61 VanDerWaalsContact OD1-CB 3.3Å; D58-S61 WeakPolarHBondContact OD1-CB 3.39Å; D58-S61 PolarHBondContact OD1-N 3.23Å; D58-S61 PolarHBondContact OD1-OG 3.15Å; D58-S61 PolarHBondContact OD2-OG 3.35Å; D58-R89 PolarHBondContact O-NE 3.31Å; D58-R89 PolarHBondContact O-NH2 3.37Å; D58-R89 IonicContact OD2-CZ 2.57Å; D58-R89 IonicContact OD2-NH1 3.3Å; D58-R89 PolarHBondContact OD2-NH1 3.3Å; D58-R89 IonicContact OD2-NH2 2.6Å; D58-R89 PolarHBondContact OD2-NH2 3.43Å
59	W	97.9	Very high	97.2	Very high	11 Å²	11	27.1 Å²	27.1	4%	0.042	15%	0.148	C	C	.	.			trans	-112.3	-20	172.8	57.6	-88.7	0	0	0	111.5	I10 E14 K17 L18 L21 S61 G63 T64	I10-W59 HydrophobicContact CD1-CB 3.77Å; I10-W59 HydrophobicContact CD1-CD2 4.17Å; I10-W59 HydrophobicContact CD1-CG 3.57Å; I10-W59 HydrophobicContact CG1-CG 4.06Å; I10-W59 HydrophobicContact CG2-CD2 4.47Å; I10-W59 HydrophobicContact CG2-CZ2 4.36Å; E14-W59 HydrophobicContact CB-CZ2 3.94Å; K17-W59 HydrophobicContact CB-CH2 3.69Å; K17-W59 HydrophobicContact CB-CZ3 4.29Å; L18-W59 HydrophobicContact CB-CE3 3.99Å; L18-W59 HydrophobicContact CB-CZ3 3.9Å; L18-W59 HydrophobicContact CD1-CD2 4.49Å; L18-W59 HydrophobicContact CD1-CE3 3.77Å; L18-W59 HydrophobicContact CD1-CZ3 4.39Å; L18-W59 HydrophobicContact CG-CE3 4.47Å; L21-W59 HydrophobicContact CD1-CE3 3.9Å; L21-W59 HydrophobicContact CD1-CZ3 3.88Å; W59-S61 VanDerWaalsContact C-N 3.27Å; W59-S61 PolarHBondContact O-N 3.32Å; W59-G63 WeakPolarHBondContact O-CA 3.35Å; W59-G63 PolarHBondContact O-N 2.75Å; W59-T64 WeakPolarHBondContact CB-O 3.47Å
60	Q	97.6	Very high	97.1	Very high	104 Å²	104	27.8 Å²	27.8	49%	0.486	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.8	-176.7	-62.9	87	-22.5	0	0	111.9	D62	Q60-D62 VanDerWaalsContact C-N 3.34Å; Q60-D62 PolarHBondContact O-N 3.43Å
61	S	95.9	Very high	96.5	Very high	72 Å²	72	29.4 Å²	29.4	50%	0.503	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-38.2	-178	66.3	0	0	0	0	113.5	D58 W59 R89	D58-S61 VanDerWaalsContact OD1-CB 3.3Å; D58-S61 WeakPolarHBondContact OD1-CB 3.39Å; D58-S61 PolarHBondContact OD1-N 3.23Å; D58-S61 PolarHBondContact OD1-OG 3.15Å; D58-S61 PolarHBondContact OD2-OG 3.35Å; W59-S61 VanDerWaalsContact C-N 3.27Å; W59-S61 PolarHBondContact O-N 3.32Å; S61-R89 PolarHBondContact OG-NH1 2.77Å
62	D	96.7	Very high	95.5	Very high	26 Å²	26	33.2 Å²	33.2	14%	0.139	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.6	13.1	-169	66.2	7.1	0	0	0	113.8	Q60 T64 L83 R89	Q60-D62 VanDerWaalsContact C-N 3.34Å; Q60-D62 PolarHBondContact O-N 3.43Å; D62-T64 PolarHBondContact O-N 3.23Å; D62-T64 WeakPolarHBondContact OD1-CB 3.49Å; D62-T64 PolarHBondContact OD1-N 2.9Å; D62-T64 PolarHBondContact OD1-OG1 3.05Å; D62-T64 PolarHBondContact OD2-OG1 2.78Å; D62-L83 WeakPolarHBondContact O-CA 3.37Å; D62-L83 VanDerWaalsContact O-CB 3.27Å; D62-L83 WeakPolarHBondContact O-CB 3.42Å; D62-L83 PolarHBondContact O-N 3.33Å; D62-R89 WeakPolarHBondContact OD2-CD 3.4Å
63	G	97.9	Very high	94	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.			trans	67.2	10	-178.9	0	0	0	0	0	114.6	Y22 W59 F65	Y22-G63 PolarHBondContact OH-O 2.79Å; W59-G63 WeakPolarHBondContact O-CA 3.35Å; W59-G63 PolarHBondContact O-N 2.75Å; G63-F65 WeakPolarHBondContact O-CD1 3.22Å; G63-F65 PolarHBondContact O-N 3.43Å
64	T	98.5	Very high	92.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.223	C	C	.	.			trans	-65.6	124.7	-175.9	-58.9	0	0	0	0	111.9	W59 D62 N81 T82 R89 V90	W59-T64 WeakPolarHBondContact CB-O 3.47Å; D62-T64 PolarHBondContact O-N 3.23Å; D62-T64 WeakPolarHBondContact OD1-CB 3.49Å; D62-T64 PolarHBondContact OD1-N 2.9Å; D62-T64 PolarHBondContact OD1-OG1 3.05Å; D62-T64 PolarHBondContact OD2-OG1 2.78Å; T64-N81 VanDerWaalsContact CA-O 3.29Å; T64-N81 WeakPolarHBondContact CA-O 3.26Å; T64-T82 VanDerWaalsContact OG1-CB 3.26Å; T64-T82 WeakPolarHBondContact OG1-CB 3.48Å; T64-T82 PolarHBondContact OG1-OG1 3.37Å; T64-R89 HydrophobicContact CG2-CB 4.49Å; T64-R89 HydrophobicContact CG2-CG 4.11Å; T64-V90 HydrophobicContact CG2-CB 3.79Å; T64-V90 HydrophobicContact CG2-CG2 4.05Å
65	F	98.6	Very high	91.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	159.2	175.2	75.7	-91	0	0	0	112.4	I10 L18 Y22 Q30 I35 F52 L53 G63 L67 F80 N81	I10-F65 HydrophobicContact CD1-CB 4.21Å; L18-F65 HydrophobicContact CD1-CD1 4.16Å; L18-F65 HydrophobicContact CD2-CB 4.01Å; L18-F65 HydrophobicContact CD2-CD1 4.09Å; L18-F65 HydrophobicContact CD2-CG 4.03Å; L18-F65 HydrophobicContact CG-CD1 4.49Å; Y22-F65 HydrophobicContact CE2-CD1 4.21Å; Y22-F65 HydrophobicContact CE2-CE1 4Å; Y22-F65 AromaticContact CZ-CE1 4Å; Q30-F65 VanDerWaalsContact O-CZ 3.24Å; Q30-F65 WeakPolarHBondContact O-CZ 3.41Å; I35-F65 HydrophobicContact CD1-CE1 3.9Å; I35-F65 HydrophobicContact CD1-CZ 4.28Å; I35-F65 HydrophobicContact CG1-CE1 4.24Å; I35-F65 HydrophobicContact CG1-CZ 4.12Å; F52-F65 HydrophobicContact CD1-CB 4.39Å; F52-F65 AromaticContact CD1-CD2 3.58Å; F52-F65 HydrophobicContact CD1-CD2 3.58Å; F52-F65 HydrophobicContact CD1-CE2 4.05Å; F52-F65 HydrophobicContact CD1-CG 4.04Å; F52-F65 AromaticContact CE1-CD2 3.7Å; F52-F65 HydrophobicContact CE1-CD2 3.7Å; F52-F65 AromaticContact CE1-CE2 3.66Å; F52-F65 HydrophobicContact CE1-CE2 3.66Å; F52-F65 HydrophobicContact CE1-CG 4.32Å; F52-F65 HydrophobicContact CE1-CZ 4.22Å; L53-F65 CarbonylContact O-C 3.56Å; L53-F65 VanDerWaalsContact O-CA 3.26Å; L53-F65 WeakPolarHBondContact O-CA 3.19Å; G63-F65 WeakPolarHBondContact O-CD1 3.22Å; G63-F65 PolarHBondContact O-N 3.43Å; F65-L67 HydrophobicContact CD2-CB 3.95Å; F65-L67 HydrophobicContact CE2-CB 3.74Å; F65-F80 VanDerWaalsContact O-CA 3.28Å; F65-F80 WeakPolarHBondContact O-CA 3.4Å; F65-F80 WeakPolarHBondContact O-CB 3.35Å; F65-N81 HydrophobicContact CD1-CB 4.38Å; F65-N81 HydrophobicContact CE1-CB 3.63Å; F65-N81 HydrophobicContact CZ-CB 3.94Å; F65-N81 PolarHBondContact N-O 2.89Å; F65-N81 PolarHBondContact O-N 3.38Å; F65-N81 VanDerWaalsContact O-N 3.12Å
66	V	98.3	Very high	91.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.9	163.5	175.5	0	0	0	0	107.7	F52 L53 I78 F80 A93 L94	F52-V66 CarbonylContact C-O 3.59Å; L53-V66 HydrophobicContact CB-CB 4.41Å; L53-V66 WeakPolarHBondContact CB-O 3.5Å; L53-V66 PolarHBondContact N-O 3.15Å; L53-V66 PolarHBondContact O-N 3.31Å; V66-I78 HydrophobicContact CG1-CD1 3.67Å; V66-I78 HydrophobicContact CG1-CG1 3.96Å; V66-F80 HydrophobicContact CG2-CB 4.2Å; V66-A93 HydrophobicContact CG2-CB 3.76Å; V66-L94 HydrophobicContact CG1-CD2 4.19Å; V66-L94 HydrophobicContact CG2-CD2 3.91Å; V66-L94 HydrophobicContact CG2-CG 4.33Å
67	L	97.9	Very high	91	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127	179.1	171.3	66.4	0	0	0	109	F38 V50 N51 F52 F65 I78 Y79	F38-L67 HydrophobicContact CD2-CD2 3.42Å; F38-L67 VanDerWaalsContact CD2-CD2 3.42Å; F38-L67 HydrophobicContact CE2-CD2 3.49Å; F38-L67 VanDerWaalsContact CE2-CD2 3.49Å; F38-L67 HydrophobicContact CG-CD2 4.13Å; F38-L67 HydrophobicContact CZ-CD2 4.28Å; V50-L67 HydrophobicContact CG2-CD1 3.39Å; V50-L67 HydrophobicContact CG2-CG 4.46Å; N51-L67 WeakPolarHBondContact O-CA 3.33Å; N51-L67 WeakPolarHBondContact O-CD1 3.18Å; F52-L67 HydrophobicContact CD1-CB 4.21Å; F52-L67 HydrophobicContact CD1-CD1 4.12Å; F52-L67 HydrophobicContact CD2-CD1 3.49Å; F52-L67 VanDerWaalsContact CD2-CD1 3.49Å; F52-L67 HydrophobicContact CE1-CB 4.05Å; F52-L67 HydrophobicContact CE1-CD1 3.98Å; F52-L67 HydrophobicContact CE1-CD2 4.03Å; F52-L67 HydrophobicContact CE1-CG 4.25Å; F52-L67 HydrophobicContact CE2-CD1 3.36Å; F52-L67 HydrophobicContact CE2-CD2 4.19Å; F52-L67 HydrophobicContact CE2-CG 4.32Å; F52-L67 HydrophobicContact CG-CD1 3.89Å; F52-L67 HydrophobicContact CZ-CB 4.4Å; F52-L67 HydrophobicContact CZ-CD1 3.61Å; F52-L67 HydrophobicContact CZ-CD2 3.65Å; F52-L67 HydrophobicContact CZ-CG 4.09Å; F65-L67 HydrophobicContact CD2-CB 3.95Å; F65-L67 HydrophobicContact CE2-CB 3.74Å; L67-I78 WeakPolarHBondContact O-CA 3.38Å; L67-Y79 HydrophobicContact CB-CD2 4.32Å; L67-Y79 HydrophobicContact CD2-CD2 3.72Å; L67-Y79 HydrophobicContact CD2-CE2 4.46Å; L67-Y79 HydrophobicContact CD2-CG 4.03Å; L67-Y79 HydrophobicContact CG-CD2 3.88Å; L67-Y79 HydrophobicContact CG-CG 4.49Å; L67-Y79 PolarHBondContact N-O 2.83Å; L67-Y79 PolarHBondContact O-N 2.93Å
68	T	96.3	Very high	91	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134	174.7	56.3	0	0	0	0	109.8	V50 N51 L97 Y104	V50-T68 VanDerWaalsContact CA-O 3.27Å; V50-T68 WeakPolarHBondContact CA-O 3.1Å; N51-T68 PolarHBondContact N-O 3.36Å; N51-T68 PolarHBondContact O-N 3.1Å; T68-L97 HydrophobicContact CG2-CD1 4.13Å; T68-Y104 HydrophobicContact CG2-CE1 3.83Å
69	L	94.8	Very high	91	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.1	166.9	172.9	65.5	0	0	0	107.3	F38 W41 L48 V50 N76 H77 Y79	F38-L69 HydrophobicContact CE1-CB 4.32Å; F38-L69 HydrophobicContact CE1-CD1 4.16Å; F38-L69 HydrophobicContact CE1-CD2 4.02Å; F38-L69 HydrophobicContact CE1-CG 4.39Å; F38-L69 HydrophobicContact CZ-CB 4.38Å; F38-L69 HydrophobicContact CZ-CD2 4.14Å; W41-L69 HydrophobicContact CZ3-CD2 4.19Å; L48-L69 HydrophobicContact CD1-CD1 4.1Å; L48-L69 HydrophobicContact CD2-CD1 4.25Å; L48-L69 HydrophobicContact CG-CD1 4.16Å; V50-L69 HydrophobicContact CB-CD1 4.36Å; L69-N76 CarbonylContact O-C 3.6Å; L69-N76 WeakPolarHBondContact O-CA 3.39Å; L69-N76 WeakPolarHBondContact O-CB 3.49Å; L69-H77 HydrophobicContact CB-CB 4.37Å; L69-H77 PolarHBondContact N-O 3.31Å; L69-H77 PolarHBondContact O-N 3.14Å; L69-Y79 HydrophobicContact CB-CE2 4.25Å
70	R	91.2	Very high	91.1	Very high	113 Å²	113	35 Å²	35	43%	0.426	18%	0.179	S	C	.	.			trans	-99.8	136.5	179.2	-65.1	-176.7	174.6	-154.5	-7.4	111.5	K49 N76 E103 Y104	K49-R70 HydrophobicContact CB-CB 3.98Å; K49-R70 PolarHBondContact O-N 2.93Å; R70-N76 WeakPolarHBondContact CA-OD1 3.29Å; R70-E103 IonicContact CZ-OE1 2.79Å; R70-E103 VanDerWaalsContact CZ-OE1 3.3Å; R70-E103 IonicContact NE-OE1 3.06Å; R70-E103 IonicContact NH1-OE1 3.43Å; R70-E103 IonicContact NH2-OE1 2.88Å; R70-E103 PolarHBondContact NH2-OE1 3.46Å; R70-E103 VanDerWaalsContact NH2-OE1 3.1Å; R70-Y104 HydrophobicContact CG-CE1 4.49Å; R70-Y104 VanDerWaalsContact CZ-OH 3.25Å; R70-Y104 PolarHBondContact NE-OH 3.27Å; R70-Y104 PolarHBondContact NH2-OH 2.92Å
71	S	83.4	Confident	91.1	Very high	34 Å²	34	30 Å²	30	24%	0.238	16%	0.156	C	C	.	.			trans	-113.8	141.2	171.7	179.6	0	0	0	0	109.7	T73 M75 N76	S71-T73 PolarHBondContact O-N 2.87Å; S71-T73 PolarHBondContact OG-N 3.01Å; S71-T73 PolarHBondContact OG-OG1 3.47Å; S71-T73 VanDerWaalsContact OG-OG1 3.08Å; S71-M75 WeakPolarHBondContact CB-O 3.1Å; S71-N76 PolarHBondContact N-OD1 3.04Å; S71-N76 PolarHBondContact O-OD1 2.85Å
72	D	77.1	Confident	91.2	Very high	127 Å²	127	26.6 Å²	26.6	68%	0.679	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-12	174.6	-68.1	-30.9	0	0	0	112.6	K49	K49-D72 IonicContact NZ-OD1 2.71Å; K49-D72 PolarHBondContact NZ-OD1 2.89Å; K49-D72 IonicContact NZ-OD2 3.16Å; K49-D72 PolarHBondContact NZ-OD2 3.24Å
73	T	67	Low	91.2	Very high	45 Å²	45	27.6 Å²	27.6	28%	0.276	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	23	-177.3	58.3	0	0	0	0	114.3	S71 G173 D176	S71-T73 PolarHBondContact O-N 2.87Å; S71-T73 PolarHBondContact OG-N 3.01Å; S71-T73 PolarHBondContact OG-OG1 3.47Å; S71-T73 VanDerWaalsContact OG-OG1 3.08Å; T73-G173 WeakPolarHBondContact O-CA 3.45Å; T73-G173 PolarHBondContact OG1-O 2.8Å; T73-D176 VanDerWaalsContact CB-OD2 3.29Å; T73-D176 WeakPolarHBondContact CB-OD2 3.49Å; T73-D176 WeakPolarHBondContact CG2-OD2 3.48Å; T73-D176 PolarHBondContact OG1-OD2 3.44Å
74	H	66	Low	91.1	Very high	165 Å²	165	29 Å²	29	76%	0.764	15%	0.147	S	C	*	.	S	Bend	trans	84	0.3	167.3	-53	74.1	0	0	0	117.9	N76	H74-N76 PolarHBondContact O-N 3.04Å
75	M	78.8	Confident	91	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.034	18%	0.176	C	C	.	.			trans	-98.6	78.2	172.5	-159.8	167	74.9	0	0	110.7	S71 K171 F177	S71-M75 WeakPolarHBondContact CB-O 3.1Å; M75-K171 HydrophobicContact SD-CD 4.38Å; M75-K171 WeakPolarHBondContact SD-CE 3.41Å; M75-K171 HydrophobicContact SD-CG 4.24Å; M75-F177 HydrophobicContact CE-CB 3.02Å; M75-F177 HydrophobicContact CE-CD1 3.44Å; M75-F177 VanDerWaalsContact CE-CD1 3.44Å; M75-F177 HydrophobicContact CE-CD2 4.19Å; M75-F177 HydrophobicContact CE-CE1 4.39Å; M75-F177 HydrophobicContact CE-CG 3.3Å
76	N	90.7	Very high	90.9	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.3	172.3	-42.2	-57.7	0	0	0	109.7	L69 R70 S71 H74 E103 Y104 D105	L69-N76 CarbonylContact O-C 3.6Å; L69-N76 WeakPolarHBondContact O-CA 3.39Å; L69-N76 WeakPolarHBondContact O-CB 3.49Å; R70-N76 WeakPolarHBondContact CA-OD1 3.29Å; S71-N76 PolarHBondContact N-OD1 3.04Å; S71-N76 PolarHBondContact O-OD1 2.85Å; H74-N76 PolarHBondContact O-N 3.04Å; N76-E103 WeakPolarHBondContact CB-O 3.47Å; N76-E103 VanDerWaalsContact ND2-CG 3.33Å; N76-E103 WeakPolarHBondContact ND2-CG 3.43Å; N76-E103 PolarHBondContact ND2-O 3.13Å; N76-Y104 HydrophobicContact CB-CD1 3.55Å; N76-Y104 HydrophobicContact CB-CE1 3.62Å; N76-Y104 HydrophobicContact CB-CG 4.4Å; N76-Y104 WeakPolarHBondContact O-CA 3.2Å; N76-D105 PolarHBondContact O-N 3.07Å
77	H	93.6	Very high	90.9	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145	177.9	-60.5	156.1	0	0	0	110.6	L69 Y79 D105 F107 F177	L69-H77 HydrophobicContact CB-CB 4.37Å; L69-H77 PolarHBondContact N-O 3.31Å; L69-H77 PolarHBondContact O-N 3.14Å; H77-Y79 HydrophobicContact CB-CD2 4.46Å; H77-Y79 HydrophobicContact CB-CE2 3.54Å; H77-Y79 WeakPolarHBondContact CB-OH 3.48Å; H77-Y79 PolarHBondContact ND1-OH 3.38Å; H77-D105 WeakPolarHBondContact CA-O 3.13Å; H77-F107 HydrophobicContact CB-CB 4.24Å; H77-F107 AromaticContact CD2-CD2 3.98Å; H77-F107 AromaticContact CE1-CD2 3.75Å; H77-F107 AromaticContact CE1-CE2 3.81Å; H77-F107 AromaticContact CG-CD2 3.92Å; H77-F107 AromaticContact ND1-CD2 3.77Å; H77-F107 AromaticContact NE2-CD2 3.86Å; H77-F177 AromaticContact CE1-CD2 3.53Å; H77-F177 AromaticContact CE1-CE2 3.38Å; H77-F177 WeakPolarHBondContact CE1-CE2 3.46Å; H77-F177 AromaticContact CE1-CG 3.98Å; H77-F177 AromaticContact CE1-CZ 3.67Å; H77-F177 AromaticContact ND1-CE2 3.81Å
78	I	96	Very high	90.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.1	167.8	-171.8	160.1	0	0	0	110.7	V66 L67 L94 L97 I100 Y104 D105 F106 F107	V66-I78 HydrophobicContact CG1-CD1 3.67Å; V66-I78 HydrophobicContact CG1-CG1 3.96Å; L67-I78 WeakPolarHBondContact O-CA 3.38Å; I78-L94 HydrophobicContact CD1-CD2 3.5Å; I78-L94 VanDerWaalsContact CD1-CD2 3.5Å; I78-L94 HydrophobicContact CG1-CD2 4.27Å; I78-L97 HydrophobicContact CD1-CD2 3.37Å; I78-I100 HydrophobicContact CD1-CD1 4.29Å; I78-Y104 HydrophobicContact CB-CD1 4.17Å; I78-Y104 HydrophobicContact CB-CG 4.21Å; I78-D105 PolarHBondContact N-O 2.98Å; I78-F106 HydrophobicContact CG2-CB 4.32Å; I78-F106 HydrophobicContact CG2-CD1 3.62Å; I78-F106 HydrophobicContact CG2-CD2 4.36Å; I78-F106 HydrophobicContact CG2-CE1 3.96Å; I78-F106 HydrophobicContact CG2-CG 3.85Å; I78-F106 HydrophobicContact CG2-CZ 4.46Å; I78-F107 PolarHBondContact O-N 3.06Å
79	Y	97.8	Very high	90.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.6	172.2	-41	-106.1	0	0	0	107.2	Q30 F38 L67 L69 H77 F107 P205 I206	Q30-Y79 HydrophobicContact CG-CD1 4.4Å; F38-Y79 HydrophobicContact CE2-CD2 4.28Å; F38-Y79 HydrophobicContact CE2-CE1 4.42Å; F38-Y79 AromaticContact CE2-CE2 3.93Å; F38-Y79 HydrophobicContact CE2-CE2 3.93Å; F38-Y79 HydrophobicContact CZ-CD2 4.44Å; F38-Y79 AromaticContact CZ-CE2 3.72Å; F38-Y79 HydrophobicContact CZ-CE2 3.72Å; F38-Y79 AromaticContact CZ-CZ 3.89Å; L67-Y79 HydrophobicContact CB-CD2 4.32Å; L67-Y79 HydrophobicContact CD2-CD2 3.72Å; L67-Y79 HydrophobicContact CD2-CE2 4.46Å; L67-Y79 HydrophobicContact CD2-CG 4.03Å; L67-Y79 HydrophobicContact CG-CD2 3.88Å; L67-Y79 HydrophobicContact CG-CG 4.49Å; L67-Y79 PolarHBondContact N-O 2.83Å; L67-Y79 PolarHBondContact O-N 2.93Å; L69-Y79 HydrophobicContact CB-CE2 4.25Å; H77-Y79 HydrophobicContact CB-CD2 4.46Å; H77-Y79 HydrophobicContact CB-CE2 3.54Å; H77-Y79 WeakPolarHBondContact CB-OH 3.48Å; H77-Y79 PolarHBondContact ND1-OH 3.38Å; Y79-F107 HydrophobicContact CD1-CB 4Å; Y79-F107 HydrophobicContact CD1-CD1 4.39Å; Y79-F107 WeakPolarHBondContact CD1-O 3.35Å; Y79-F107 HydrophobicContact CE1-CB 3.53Å; Y79-F107 AromaticContact CE1-CD1 3.51Å; Y79-F107 HydrophobicContact CE1-CD1 3.51Å; Y79-F107 HydrophobicContact CE1-CE1 4.48Å; Y79-F107 AromaticContact CE1-CG 3.71Å; Y79-F107 HydrophobicContact CE1-CG 3.71Å; Y79-P205 HydrophobicContact CE1-CB 4.15Å; Y79-P205 WeakPolarHBondContact OH-CB 3.26Å; Y79-P205 WeakPolarHBondContact OH-CG 3.21Å; Y79-I206 HydrophobicContact CD1-CG2 3.94Å; Y79-I206 HydrophobicContact CE1-CG2 3.89Å
80	F	98.2	Very high	91.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	141.8	-178.4	63.8	-80.6	0	0	0	110	Q30 F65 V66 V90 L94 F106 F109 L113 V116 V117	Q30-F80 PolarHBondContact OE1-O 3.03Å; F65-F80 VanDerWaalsContact O-CA 3.28Å; F65-F80 WeakPolarHBondContact O-CA 3.4Å; F65-F80 WeakPolarHBondContact O-CB 3.35Å; V66-F80 HydrophobicContact CG2-CB 4.2Å; F80-V90 HydrophobicContact CB-CG2 4.2Å; F80-V90 HydrophobicContact CD2-CG2 3.56Å; F80-V90 HydrophobicContact CE2-CG2 4.44Å; F80-V90 HydrophobicContact CG-CG2 4.34Å; F80-L94 HydrophobicContact CB-CD2 4.2Å; F80-L94 HydrophobicContact CD1-CD1 4.16Å; F80-L94 HydrophobicContact CD1-CD2 4.27Å; F80-L94 HydrophobicContact CD2-CD1 3.87Å; F80-L94 HydrophobicContact CE1-CD1 4.31Å; F80-L94 HydrophobicContact CE2-CD1 3.95Å; F80-L94 HydrophobicContact CG-CD1 3.96Å; F80-L94 HydrophobicContact CG-CD2 4.16Å; F80-L94 HydrophobicContact CG-CG 4.41Å; F80-L94 HydrophobicContact CZ-CD1 4.2Å; F80-F106 HydrophobicContact CD1-CD1 4.25Å; F80-F106 AromaticContact CE1-CD1 3.7Å; F80-F106 HydrophobicContact CE1-CD1 3.7Å; F80-F106 HydrophobicContact CE1-CE1 4.21Å; F80-F109 HydrophobicContact CE1-CB 4.26Å; F80-F109 HydrophobicContact CZ-CB 4.28Å; F80-F109 HydrophobicContact CZ-CG 4.48Å; F80-L113 HydrophobicContact CD2-CD1 4.22Å; F80-L113 HydrophobicContact CE2-CB 3.84Å; F80-L113 HydrophobicContact CE2-CD1 3.91Å; F80-L113 HydrophobicContact CE2-CD2 4.1Å; F80-L113 HydrophobicContact CE2-CG 4.17Å; F80-L113 HydrophobicContact CZ-CB 4Å; F80-L113 HydrophobicContact CZ-CD1 4.37Å; F80-L113 WeakPolarHBondContact O-CD1 3.36Å; F80-V116 HydrophobicContact CE2-CB 4.22Å; F80-V116 HydrophobicContact CE2-CG1 4.09Å; F80-V117 HydrophobicContact CE1-CG2 3.86Å; F80-V117 HydrophobicContact CZ-CG2 3.46Å; F80-V117 VanDerWaalsContact CZ-CG2 3.46Å
81	N	98.1	Very high	91.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	170.7	177	-153	-15.1	0	0	0	110.8	Y22 D28 Q30 T64 F65 R112 L113	Y22-N81 HydrophobicContact CE1-CB 4.11Å; Y22-N81 WeakPolarHBondContact CE1-ND2 3.41Å; Y22-N81 VanDerWaalsContact OH-C 3.28Å; Y22-N81 WeakPolarHBondContact OH-CB 3.48Å; D28-N81 PolarHBondContact OD1-ND2 3.33Å; D28-N81 PolarHBondContact OD2-ND2 3.44Å; Q30-N81 HydrophobicContact CB-CB 4.31Å; T64-N81 VanDerWaalsContact CA-O 3.29Å; T64-N81 WeakPolarHBondContact CA-O 3.26Å; F65-N81 HydrophobicContact CD1-CB 4.38Å; F65-N81 HydrophobicContact CE1-CB 3.63Å; F65-N81 HydrophobicContact CZ-CB 3.94Å; F65-N81 PolarHBondContact N-O 2.89Å; F65-N81 PolarHBondContact O-N 3.38Å; F65-N81 VanDerWaalsContact O-N 3.12Å; N81-R112 PolarHBondContact OD1-NH2 3.42Å; N81-L113 HydrophobicContact CB-CD1 4.5Å
82	T	98.1	Very high	92	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.			trans	-153.9	146.3	174	-179.4	0	0	0	0	109.5	Y22 T64 S84 L87 V90 R112	Y22-T82 VanDerWaalsContact OH-CA 3.27Å; Y22-T82 WeakPolarHBondContact OH-CA 3.47Å; Y22-T82 PolarHBondContact OH-N 3.19Å; Y22-T82 VanDerWaalsContact OH-N 3.11Å; T64-T82 VanDerWaalsContact OG1-CB 3.26Å; T64-T82 WeakPolarHBondContact OG1-CB 3.48Å; T64-T82 PolarHBondContact OG1-OG1 3.37Å; T82-S84 VanDerWaalsContact C-N 3.34Å; T82-S84 WeakPolarHBondContact OG1-CB 3.28Å; T82-S84 PolarHBondContact OG1-N 2.98Å; T82-S84 VanDerWaalsContact OG1-N 3.14Å; T82-L87 HydrophobicContact CG2-CD2 3.93Å; T82-V90 HydrophobicContact CG2-CB 4.14Å; T82-V90 HydrophobicContact CG2-CG1 3.9Å; T82-R112 PolarHBondContact O-NH2 2.78Å
83	L	97.3	Very high	93	Very high	47 Å²	47	39.3 Å²	39.3	25%	0.246	20%	0.196	C	C	.	.	S	Bend	trans	-85.7	-13	169.6	-61.6	168.5	0	0	0	111.8	L21 Y22 R25 D62	L21-L83 HydrophobicContact CB-CD1 3.75Å; L21-L83 VanDerWaalsContact O-CD1 3.31Å; L21-L83 WeakPolarHBondContact O-CD1 3.48Å; Y22-L83 HydrophobicContact CD1-CD2 3.68Å; Y22-L83 HydrophobicContact CD1-CG 4.36Å; Y22-L83 HydrophobicContact CE1-CD2 3.57Å; Y22-L83 HydrophobicContact CE1-CG 3.96Å; Y22-L83 HydrophobicContact CE2-CG 4.31Å; Y22-L83 HydrophobicContact CG-CD2 4.26Å; R25-L83 HydrophobicContact CG-CD2 4.49Å; D62-L83 WeakPolarHBondContact O-CA 3.37Å; D62-L83 VanDerWaalsContact O-CB 3.27Å; D62-L83 WeakPolarHBondContact O-CB 3.42Å; D62-L83 PolarHBondContact O-N 3.33Å
84	S	96.6	Very high	94.4	Very high	30 Å²	30	37.1 Å²	37.1	21%	0.21	18%	0.183	C	C	.	.			trans	-68.4	139.1	175.2	173.4	0	0	0	0	111.4	T82 N86 R112	T82-S84 VanDerWaalsContact C-N 3.34Å; T82-S84 WeakPolarHBondContact OG1-CB 3.28Å; T82-S84 PolarHBondContact OG1-N 2.98Å; T82-S84 VanDerWaalsContact OG1-N 3.14Å; S84-N86 VanDerWaalsContact C-N 3.3Å; S84-N86 WeakPolarHBondContact CB-O 3.29Å; S84-N86 WeakPolarHBondContact OG-CA 3.02Å; S84-N86 PolarHBondContact OG-N 2.97Å; S84-N86 PolarHBondContact OG-O 2.81Å; S84-R112 PolarHBondContact O-NH1 2.92Å
85	E	95.4	Very high	95.7	Very high	131 Å²	131	31.8 Å²	31.8	61%	0.612	16%	0.158	S	C	*	.	S	Bend	trans	-74	-23.6	168.6	-61.4	-54.5	141.5	0	0	112	R25	R25-E85 IonicContact CZ-OE1 2.73Å; R25-E85 IonicContact NH1-OE1 2.64Å; R25-E85 IonicContact NH2-OE1 2.83Å; R25-E85 PolarHBondContact NH2-OE1 2.67Å
86	N	96.5	Very high	96.5	Very high	88 Å²	88	33.3 Å²	33.3	47%	0.471	17%	0.169	S	C	.	.			trans	-81.1	117.8	168.9	-176.5	-15.6	0	0	0	109.8	S84 D88	S84-N86 VanDerWaalsContact C-N 3.3Å; S84-N86 WeakPolarHBondContact CB-O 3.29Å; S84-N86 WeakPolarHBondContact OG-CA 3.02Å; S84-N86 PolarHBondContact OG-N 2.97Å; S84-N86 PolarHBondContact OG-O 2.81Å; N86-D88 PolarHBondContact ND2-OD2 3.37Å; N86-D88 WeakPolarHBondContact OD1-CB 3.36Å; N86-D88 PolarHBondContact OD1-N 2.77Å; N86-D88 PolarHBondContact OD1-OD2 3.36Å
87	L	97.9	Very high	96.5	Very high	32 Å²	32	33.2 Å²	33.2	17%	0.168	17%	0.169	C	C	.	.			trans	-88	0.8	-177.2	-54.2	-178.9	0	0	0	114.1	T82 R89 V90 T91 R112 L113 V116	T82-L87 HydrophobicContact CG2-CD2 3.93Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.31Å; L87-V90 HydrophobicContact CB-CG1 4.24Å; L87-V90 HydrophobicContact CD2-CG1 4.46Å; L87-V90 VanDerWaalsContact O-CG1 3.28Å; L87-V90 WeakPolarHBondContact O-CG1 3.43Å; L87-V90 PolarHBondContact O-N 3.07Å; L87-T91 WeakPolarHBondContact O-CB 3.14Å; L87-T91 PolarHBondContact O-N 3.1Å; L87-T91 PolarHBondContact O-OG1 3.09Å; L87-R112 WeakPolarHBondContact CD1-O 3.21Å; L87-L113 HydrophobicContact CD2-CD2 4.15Å; L87-V116 HydrophobicContact CB-CG2 3.84Å; L87-V116 HydrophobicContact CD1-CG2 3.85Å; L87-V116 HydrophobicContact CG-CG2 4.35Å
88	D	97.2	Very high	96	Very high	90 Å²	90	41.7 Å²	41.7	48%	0.481	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-41.6	-178.8	-71.2	-20.4	0	0	0	112.2	N86 T91 K92	N86-D88 PolarHBondContact ND2-OD2 3.37Å; N86-D88 WeakPolarHBondContact OD1-CB 3.36Å; N86-D88 PolarHBondContact OD1-N 2.77Å; N86-D88 PolarHBondContact OD1-OD2 3.36Å; D88-T91 PolarHBondContact O-N 3.11Å; D88-K92 WeakPolarHBondContact O-CB 3.19Å; D88-K92 VanDerWaalsContact O-CG 3.3Å; D88-K92 WeakPolarHBondContact O-CG 3.29Å; D88-K92 PolarHBondContact O-N 2.91Å
89	R	97.5	Very high	95.1	Very high	55 Å²	55	44.9 Å²	44.9	21%	0.208	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-49.2	-176.8	-167.9	-178.9	-166.9	126.3	14.4	111.3	L55 D58 S61 D62 T64 L87 T91 K92 A93	L55-R89 HydrophobicContact CB-CG 4.42Å; L55-R89 HydrophobicContact CD2-CG 3.89Å; L55-R89 PolarHBondContact O-NH2 2.92Å; D58-R89 PolarHBondContact O-NE 3.31Å; D58-R89 PolarHBondContact O-NH2 3.37Å; D58-R89 IonicContact OD2-CZ 2.57Å; D58-R89 IonicContact OD2-NH1 3.3Å; D58-R89 PolarHBondContact OD2-NH1 3.3Å; D58-R89 IonicContact OD2-NH2 2.6Å; D58-R89 PolarHBondContact OD2-NH2 3.43Å; S61-R89 PolarHBondContact OG-NH1 2.77Å; D62-R89 WeakPolarHBondContact OD2-CD 3.4Å; T64-R89 HydrophobicContact CG2-CB 4.49Å; T64-R89 HydrophobicContact CG2-CG 4.11Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.31Å; R89-T91 VanDerWaalsContact C-N 3.31Å; R89-T91 PolarHBondContact O-N 3.09Å; R89-K92 PolarHBondContact O-N 3.05Å; R89-A93 PolarHBondContact O-N 3.22Å
90	V	98	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-33.5	-180	72.4	0	0	0	0	111.6	T64 F80 T82 L87 A93 L94 V116	T64-V90 HydrophobicContact CG2-CB 3.79Å; T64-V90 HydrophobicContact CG2-CG2 4.05Å; F80-V90 HydrophobicContact CB-CG2 4.2Å; F80-V90 HydrophobicContact CD2-CG2 3.56Å; F80-V90 HydrophobicContact CE2-CG2 4.44Å; F80-V90 HydrophobicContact CG-CG2 4.34Å; T82-V90 HydrophobicContact CG2-CB 4.14Å; T82-V90 HydrophobicContact CG2-CG1 3.9Å; L87-V90 HydrophobicContact CB-CG1 4.24Å; L87-V90 HydrophobicContact CD2-CG1 4.46Å; L87-V90 VanDerWaalsContact O-CG1 3.28Å; L87-V90 WeakPolarHBondContact O-CG1 3.43Å; L87-V90 PolarHBondContact O-N 3.07Å; V90-A93 WeakPolarHBondContact O-CB 3.3Å; V90-A93 PolarHBondContact O-N 3.15Å; V90-L94 PolarHBondContact O-N 2.85Å; V90-L94 VanDerWaalsContact O-N 3.07Å; V90-V116 HydrophobicContact CG1-CG2 4.16Å
91	T	97.6	Very high	92.9	Very high	22 Å²	22	47.9 Å²	47.9	14%	0.135	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-51.9	173.5	-56.7	0	0	0	0	110.4	L87 D88 R89 A93 L94 E95 Y119	L87-T91 WeakPolarHBondContact O-CB 3.14Å; L87-T91 PolarHBondContact O-N 3.1Å; L87-T91 PolarHBondContact O-OG1 3.09Å; D88-T91 PolarHBondContact O-N 3.11Å; R89-T91 VanDerWaalsContact C-N 3.31Å; R89-T91 PolarHBondContact O-N 3.09Å; T91-A93 VanDerWaalsContact C-N 3.27Å; T91-A93 PolarHBondContact O-N 3.09Å; T91-L94 PolarHBondContact O-N 3.05Å; T91-L94 VanDerWaalsContact O-N 3.11Å; T91-E95 WeakPolarHBondContact O-CG 3.36Å; T91-E95 PolarHBondContact O-N 3.15Å; T91-Y119 HydrophobicContact CG2-CD1 3.57Å; T91-Y119 HydrophobicContact CG2-CE1 3.72Å; T91-Y119 HydrophobicContact CG2-CG 4.43Å
92	K	96.9	Very high	91.7	Very high	90 Å²	90	53.1 Å²	53.1	39%	0.391	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-37.1	176.2	-73.4	171	-176	171.8	0	112.6	L55 D88 R89 E95 C96	L55-K92 HydrophobicContact CD1-CB 4.49Å; L55-K92 HydrophobicContact CD2-CB 3.79Å; D88-K92 WeakPolarHBondContact O-CB 3.19Å; D88-K92 VanDerWaalsContact O-CG 3.3Å; D88-K92 WeakPolarHBondContact O-CG 3.29Å; D88-K92 PolarHBondContact O-N 2.91Å; R89-K92 PolarHBondContact O-N 3.05Å; K92-E95 PolarHBondContact O-N 3.39Å; K92-C96 PolarHBondContact O-N 3.4Å; K92-C96 VanDerWaalsContact O-N 3.14Å; K92-C96 PolarHBondContact O-SG 2.86Å; K92-C96 VanDerWaalsContact O-SG 3.34Å
93	A	97.2	Very high	90.9	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-45.2	175	0	0	0	0	0	111.8	L7 L55 V66 R89 V90 T91 C96	L7-A93 HydrophobicContact CD2-CB 4.05Å; L55-A93 HydrophobicContact CB-CB 4.16Å; V66-A93 HydrophobicContact CG2-CB 3.76Å; R89-A93 PolarHBondContact O-N 3.22Å; V90-A93 WeakPolarHBondContact O-CB 3.3Å; V90-A93 PolarHBondContact O-N 3.15Å; T91-A93 VanDerWaalsContact C-N 3.27Å; T91-A93 PolarHBondContact O-N 3.09Å; A93-C96 PolarHBondContact O-N 3.17Å
94	L	96.3	Very high	90.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-36.6	176.2	-69.5	173.6	0	0	0	112.5	V66 I78 F80 V90 T91 C96 L97 I100 F106 V116 I120	V66-L94 HydrophobicContact CG1-CD2 4.19Å; V66-L94 HydrophobicContact CG2-CD2 3.91Å; V66-L94 HydrophobicContact CG2-CG 4.33Å; I78-L94 HydrophobicContact CD1-CD2 3.5Å; I78-L94 VanDerWaalsContact CD1-CD2 3.5Å; I78-L94 HydrophobicContact CG1-CD2 4.27Å; F80-L94 HydrophobicContact CB-CD2 4.2Å; F80-L94 HydrophobicContact CD1-CD1 4.16Å; F80-L94 HydrophobicContact CD1-CD2 4.27Å; F80-L94 HydrophobicContact CD2-CD1 3.87Å; F80-L94 HydrophobicContact CE1-CD1 4.31Å; F80-L94 HydrophobicContact CE2-CD1 3.95Å; F80-L94 HydrophobicContact CG-CD1 3.96Å; F80-L94 HydrophobicContact CG-CD2 4.16Å; F80-L94 HydrophobicContact CG-CG 4.41Å; F80-L94 HydrophobicContact CZ-CD1 4.2Å; V90-L94 PolarHBondContact O-N 2.85Å; V90-L94 VanDerWaalsContact O-N 3.07Å; T91-L94 PolarHBondContact O-N 3.05Å; T91-L94 VanDerWaalsContact O-N 3.11Å; L94-C96 PolarHBondContact O-N 3.36Å; L94-L97 VanDerWaalsContact O-CB 3.3Å; L94-L97 WeakPolarHBondContact O-CB 3.08Å; L94-L97 PolarHBondContact O-N 3.15Å; L94-I100 HydrophobicContact CB-CD1 4.47Å; L94-I100 HydrophobicContact CD2-CD1 4.34Å; L94-F106 HydrophobicContact CD1-CE1 4.39Å; L94-V116 HydrophobicContact CD1-CG1 3.57Å; L94-I120 HydrophobicContact CB-CD1 3.9Å; L94-I120 HydrophobicContact CB-CG1 4.15Å; L94-I120 HydrophobicContact CD1-CG1 4.21Å
95	E	94.8	Very high	90.1	Very high	52 Å²	52	53.8 Å²	53.8	24%	0.243	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-28.9	175	-67.4	-179	132.3	0	0	113.3	T91 K92 L97 Y119 I120 K123 Y124	T91-E95 WeakPolarHBondContact O-CG 3.36Å; T91-E95 PolarHBondContact O-N 3.15Å; K92-E95 PolarHBondContact O-N 3.39Å; E95-L97 VanDerWaalsContact C-N 3.26Å; E95-L97 PolarHBondContact O-N 3.06Å; E95-Y119 HydrophobicContact CG-CE1 4.38Å; E95-Y119 VanDerWaalsContact OE1-CE1 3.32Å; E95-Y119 WeakPolarHBondContact OE1-CE1 3.28Å; E95-Y119 PolarHBondContact OE1-OH 3.29Å; E95-I120 HydrophobicContact CG-CD1 3.94Å; E95-K123 IonicContact OE1-NZ 3.1Å; E95-K123 PolarHBondContact OE1-NZ 3.13Å; E95-Y124 WeakPolarHBondContact CB-OH 3.27Å; E95-Y124 HydrophobicContact CG-CE2 4.26Å
96	C	94.7	Very high	90.1	Very high	40 Å²	40	47.6 Å²	47.6	27%	0.27	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.4	175.3	-70.6	0	0	0	0	113.1	N5 L7 K92 A93 L94 K98	N5-C96 PolarHBondContact O-SG 3.17Å; L7-C96 HydrophobicContact CD1-CB 4.15Å; L7-C96 HydrophobicContact CG-CB 3.79Å; K92-C96 PolarHBondContact O-N 3.4Å; K92-C96 VanDerWaalsContact O-N 3.14Å; K92-C96 PolarHBondContact O-SG 2.86Å; K92-C96 VanDerWaalsContact O-SG 3.34Å; A93-C96 PolarHBondContact O-N 3.17Å; L94-C96 PolarHBondContact O-N 3.36Å; C96-K98 PolarHBondContact O-N 3.46Å
97	L	91.2	Very high	89.9	Confident	17 Å²	17	44.1 Å²	44.1	9%	0.089	22%	0.221	C	C	.	.	S	Bend	trans	-78.2	118.1	176.8	-163.6	78.7	0	0	0	110.1	L7 L53 T68 I78 L94 E95 I100 Y104	L7-L97 HydrophobicContact CD1-CB 4.15Å; L7-L97 HydrophobicContact CD1-CD1 3.8Å; L53-L97 HydrophobicContact CD1-CD1 4.3Å; T68-L97 HydrophobicContact CG2-CD1 4.13Å; I78-L97 HydrophobicContact CD1-CD2 3.37Å; L94-L97 VanDerWaalsContact O-CB 3.3Å; L94-L97 WeakPolarHBondContact O-CB 3.08Å; L94-L97 PolarHBondContact O-N 3.15Å; E95-L97 VanDerWaalsContact C-N 3.26Å; E95-L97 PolarHBondContact O-N 3.06Å; L97-I100 HydrophobicContact CD2-CB 4.38Å; L97-I100 HydrophobicContact CD2-CD1 4.03Å; L97-I100 HydrophobicContact CD2-CG1 4.14Å; L97-Y104 HydrophobicContact CD2-CD2 3.84Å; L97-Y104 HydrophobicContact CD2-CE2 3.8Å; L97-Y104 HydrophobicContact CG-CE2 4.42Å
98	K	82.3	Confident	89.7	Confident	180 Å²	180	42.6 Å²	42.6	78%	0.783	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	140.2	180	-62.8	-177.4	179.7	-179.7	0	110.8	C96 I100	C96-K98 PolarHBondContact O-N 3.46Å; K98-I100 PolarHBondContact O-N 2.64Å
99	S	77.9	Confident	89.7	Confident	68 Å²	68	38.4 Å²	38.4	48%	0.476	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	31.8	170.2	-59	0	0	0	0	115	E101 N102 E103	S99-E101 PolarHBondContact O-N 2.81Å; S99-E101 VanDerWaalsContact O-N 3.13Å; S99-N102 PolarHBondContact O-N 3.16Å; S99-E103 VanDerWaalsContact O-CB 3.3Å; S99-E103 WeakPolarHBondContact O-CB 3.41Å; S99-E103 PolarHBondContact O-N 2.75Å
100	I	79.7	Confident	89.5	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-53.7	-36.2	-178.8	-165.6	161.3	0	0	0	112.2	I78 L94 L97 K98 N102 E103 F106 I120 Y124 Y125	I78-I100 HydrophobicContact CD1-CD1 4.29Å; L94-I100 HydrophobicContact CB-CD1 4.47Å; L94-I100 HydrophobicContact CD2-CD1 4.34Å; L97-I100 HydrophobicContact CD2-CB 4.38Å; L97-I100 HydrophobicContact CD2-CD1 4.03Å; L97-I100 HydrophobicContact CD2-CG1 4.14Å; K98-I100 PolarHBondContact O-N 2.64Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 2.88Å; I100-N102 VanDerWaalsContact O-N 3.13Å; I100-E103 PolarHBondContact O-N 3.23Å; I100-F106 HydrophobicContact CD1-CE1 4.25Å; I100-F106 HydrophobicContact CD1-CZ 3.74Å; I100-F106 HydrophobicContact CG1-CZ 4.09Å; I100-I120 HydrophobicContact CD1-CG2 3.98Å; I100-I120 HydrophobicContact CG2-CG2 4.32Å; I100-Y124 HydrophobicContact CG2-CD1 4.47Å; I100-Y124 HydrophobicContact CG2-CD2 4.31Å; I100-Y124 HydrophobicContact CG2-CG 4.05Å; I100-Y125 PolarHBondContact O-OH 2.86Å
101	E	70.8	Confident	89.3	Confident	61 Å²	61	38.5 Å²	38.5	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-67.8	-12.1	-171.1	67.8	-79.1	178.1	0	0	117.1	S99 Y124 Y125	S99-E101 PolarHBondContact O-N 2.81Å; S99-E101 VanDerWaalsContact O-N 3.13Å; E101-Y124 WeakPolarHBondContact CB-O 3.19Å; E101-Y125 HydrophobicContact CB-CD1 4.1Å; E101-Y125 HydrophobicContact CB-CD2 4.09Å; E101-Y125 HydrophobicContact CB-CE1 4.11Å; E101-Y125 HydrophobicContact CB-CE2 4.1Å; E101-Y125 HydrophobicContact CB-CG 4.11Å; E101-Y125 WeakPolarHBondContact O-CE1 3.27Å
102	N	71.5	Confident	89.3	Confident	111 Å²	111	40.2 Å²	40.2	59%	0.594	20%	0.202	S	C	*	.	H	α-helix	trans	-136	-2.2	179.2	-66.3	-66.4	0	0	0	113.5	S99 I100 K128	S99-N102 PolarHBondContact O-N 3.16Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 2.88Å; I100-N102 VanDerWaalsContact O-N 3.13Å; N102-K128 PolarHBondContact OD1-NZ 3.29Å
103	E	80.9	Confident	89.3	Confident	54 Å²	54	36 Å²	36	25%	0.252	18%	0.183	S	C	.	.	H	α-helix	trans	-107.6	-27.5	-169.8	-167.6	177.3	151	0	0	112.8	R70 N76 S99 I100	R70-E103 IonicContact CZ-OE1 2.79Å; R70-E103 VanDerWaalsContact CZ-OE1 3.3Å; R70-E103 IonicContact NE-OE1 3.06Å; R70-E103 IonicContact NH1-OE1 3.43Å; R70-E103 IonicContact NH2-OE1 2.88Å; R70-E103 PolarHBondContact NH2-OE1 3.46Å; R70-E103 VanDerWaalsContact NH2-OE1 3.1Å; N76-E103 WeakPolarHBondContact CB-O 3.47Å; N76-E103 VanDerWaalsContact ND2-CG 3.33Å; N76-E103 WeakPolarHBondContact ND2-CG 3.43Å; N76-E103 PolarHBondContact ND2-O 3.13Å; S99-E103 VanDerWaalsContact O-CB 3.3Å; S99-E103 WeakPolarHBondContact O-CB 3.41Å; S99-E103 PolarHBondContact O-N 2.75Å; I100-E103 PolarHBondContact O-N 3.23Å
104	Y	88.2	Confident	89.2	Confident	7 Å²	7	38.8 Å²	38.8	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.8	-168.7	-60.9	-84.6	0	0	0	114.9	T68 R70 N76 I78 L97	T68-Y104 HydrophobicContact CG2-CE1 3.83Å; R70-Y104 HydrophobicContact CG-CE1 4.49Å; R70-Y104 VanDerWaalsContact CZ-OH 3.25Å; R70-Y104 PolarHBondContact NE-OH 3.27Å; R70-Y104 PolarHBondContact NH2-OH 2.92Å; N76-Y104 HydrophobicContact CB-CD1 3.55Å; N76-Y104 HydrophobicContact CB-CE1 3.62Å; N76-Y104 HydrophobicContact CB-CG 4.4Å; N76-Y104 WeakPolarHBondContact O-CA 3.2Å; I78-Y104 HydrophobicContact CB-CD1 4.17Å; I78-Y104 HydrophobicContact CB-CG 4.21Å; L97-Y104 HydrophobicContact CD2-CD2 3.84Å; L97-Y104 HydrophobicContact CD2-CE2 3.8Å; L97-Y104 HydrophobicContact CG-CE2 4.42Å
105	D	90.6	Very high	89.2	Confident	30 Å²	30	42.2 Å²	42.2	16%	0.16	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131	161.2	-58.3	-18.5	0	0	0	110	N76 H77 I78 F107 K171 A271 A272	N76-D105 PolarHBondContact O-N 3.07Å; H77-D105 WeakPolarHBondContact CA-O 3.13Å; I78-D105 PolarHBondContact N-O 2.98Å; D105-F107 PolarHBondContact O-N 3.1Å; D105-K171 IonicContact OD1-NZ 2.95Å; D105-K171 PolarHBondContact OD1-NZ 3.25Å; D105-K171 WeakPolarHBondContact OD2-CE 3.4Å; D105-K171 IonicContact OD2-NZ 2.6Å; D105-K171 PolarHBondContact OD2-NZ 3.5Å; D105-A271 CarbonylContact C-O 3.3Å; D105-A272 HydrophobicContact CB-CB 4.2Å; D105-A272 VanDerWaalsContact OD1-CB 3.3Å; D105-A272 WeakPolarHBondContact OD1-CB 3.49Å
106	F	94.1	Very high	89.3	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	113.8	170.9	-64.7	-95.4	0	0	0	109.8	I78 F80 L94 I100 F109 V117 I120 Y125 L130 W270 A271	I78-F106 HydrophobicContact CG2-CB 4.32Å; I78-F106 HydrophobicContact CG2-CD1 3.62Å; I78-F106 HydrophobicContact CG2-CD2 4.36Å; I78-F106 HydrophobicContact CG2-CE1 3.96Å; I78-F106 HydrophobicContact CG2-CG 3.85Å; I78-F106 HydrophobicContact CG2-CZ 4.46Å; F80-F106 HydrophobicContact CD1-CD1 4.25Å; F80-F106 AromaticContact CE1-CD1 3.7Å; F80-F106 HydrophobicContact CE1-CD1 3.7Å; F80-F106 HydrophobicContact CE1-CE1 4.21Å; L94-F106 HydrophobicContact CD1-CE1 4.39Å; I100-F106 HydrophobicContact CD1-CE1 4.25Å; I100-F106 HydrophobicContact CD1-CZ 3.74Å; I100-F106 HydrophobicContact CG1-CZ 4.09Å; F106-F109 HydrophobicContact CB-CD1 3.92Å; F106-F109 HydrophobicContact CB-CE1 3.7Å; F106-V117 HydrophobicContact CD1-CG1 4.18Å; F106-V117 HydrophobicContact CD1-CG2 3.96Å; F106-V117 HydrophobicContact CD2-CG1 4.12Å; F106-V117 HydrophobicContact CE1-CG1 4.42Å; F106-V117 HydrophobicContact CE1-CG2 4.32Å; F106-V117 HydrophobicContact CE2-CG1 4.36Å; F106-V117 HydrophobicContact CG-CG1 4.01Å; F106-V117 HydrophobicContact CG-CG2 4.44Å; F106-I120 HydrophobicContact CZ-CG2 3.86Å; F106-Y125 HydrophobicContact CE2-CE2 4.26Å; F106-Y125 WeakPolarHBondContact CE2-OH 3.45Å; F106-L130 HydrophobicContact CD2-CD1 4.37Å; F106-L130 HydrophobicContact CD2-CD2 4.21Å; F106-L130 HydrophobicContact CE2-CD2 4.13Å; F106-W270 WeakPolarHBondContact O-CA 3.2Å; F106-A271 HydrophobicContact CB-CB 4.02Å; F106-A271 HydrophobicContact CD2-CB 4.24Å; F106-A271 HydrophobicContact CG-CB 4.47Å; F106-A271 PolarHBondContact N-O 2.73Å; F106-A271 PolarHBondContact O-N 2.83Å
107	F	93.8	Very high	89.3	Confident	15 Å²	15	38.1 Å²	38.1	7%	0.066	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	101	-165.9	-162.1	-73.3	0	0	0	112.9	Q30 H77 I78 Y79 D105 F177 L204 I206	Q30-F107 PolarHBondContact NE2-O 3.29Å; H77-F107 HydrophobicContact CB-CB 4.24Å; H77-F107 AromaticContact CD2-CD2 3.98Å; H77-F107 AromaticContact CE1-CD2 3.75Å; H77-F107 AromaticContact CE1-CE2 3.81Å; H77-F107 AromaticContact CG-CD2 3.92Å; H77-F107 AromaticContact ND1-CD2 3.77Å; H77-F107 AromaticContact NE2-CD2 3.86Å; I78-F107 PolarHBondContact O-N 3.06Å; Y79-F107 HydrophobicContact CD1-CB 4Å; Y79-F107 HydrophobicContact CD1-CD1 4.39Å; Y79-F107 WeakPolarHBondContact CD1-O 3.35Å; Y79-F107 HydrophobicContact CE1-CB 3.53Å; Y79-F107 AromaticContact CE1-CD1 3.51Å; Y79-F107 HydrophobicContact CE1-CD1 3.51Å; Y79-F107 HydrophobicContact CE1-CE1 4.48Å; Y79-F107 AromaticContact CE1-CG 3.71Å; Y79-F107 HydrophobicContact CE1-CG 3.71Å; D105-F107 PolarHBondContact O-N 3.1Å; F107-F177 HydrophobicContact CE2-CE1 4.16Å; F107-F177 AromaticContact CE2-CZ 3.79Å; F107-F177 HydrophobicContact CE2-CZ 3.79Å; F107-F177 HydrophobicContact CZ-CE1 4.34Å; F107-F177 AromaticContact CZ-CZ 3.82Å; F107-F177 HydrophobicContact CZ-CZ 3.82Å; F107-L204 HydrophobicContact CE1-CB 4.45Å; F107-L204 HydrophobicContact CE1-CD1 4.44Å; F107-L204 HydrophobicContact CZ-CD2 4.29Å; F107-I206 HydrophobicContact CD1-CG2 4.06Å; F107-I206 HydrophobicContact CE1-CD1 4.5Å; F107-I206 HydrophobicContact CE1-CG1 4.4Å; F107-I206 HydrophobicContact CE1-CG2 4.43Å
108	G	92.8	Very high	89.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	55.2	166.4	0	0	0	0	0	114.4	P29 Q30 T268 Y269	P29-G108 WeakPolarHBondContact CB-O 3.24Å; Q30-G108 VanDerWaalsContact CG-O 3.28Å; Q30-G108 WeakPolarHBondContact CG-O 3.5Å; Q30-G108 PolarHBondContact NE2-O 3.1Å; G108-T268 VanDerWaalsContact C-CG2 3.41Å; G108-Y269 CarbonylContact C-O 3.5Å; G108-Y269 WeakPolarHBondContact CA-O 3.5Å; G108-Y269 PolarHBondContact N-O 3.39Å
109	F	96.1	Very high	90	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	151.9	177	55.7	-85.9	0	0	0	111.8	F80 F106 L113 K114 V117 T132 T268 Y269 A271	F80-F109 HydrophobicContact CE1-CB 4.26Å; F80-F109 HydrophobicContact CZ-CB 4.28Å; F80-F109 HydrophobicContact CZ-CG 4.48Å; F106-F109 HydrophobicContact CB-CD1 3.92Å; F106-F109 HydrophobicContact CB-CE1 3.7Å; F109-L113 HydrophobicContact CB-CB 4.27Å; F109-L113 HydrophobicContact CB-CD1 4.38Å; F109-L113 HydrophobicContact CD2-CB 4.39Å; F109-K114 HydrophobicContact CE2-CB 4.14Å; F109-K114 HydrophobicContact CE2-CG 4.48Å; F109-V117 HydrophobicContact CD1-CG2 4.07Å; F109-V117 HydrophobicContact CD2-CG2 3.85Å; F109-V117 HydrophobicContact CE1-CB 4.42Å; F109-V117 HydrophobicContact CE1-CG1 4.17Å; F109-V117 HydrophobicContact CE1-CG2 3.87Å; F109-V117 HydrophobicContact CE2-CB 4Å; F109-V117 HydrophobicContact CE2-CG1 4.48Å; F109-V117 HydrophobicContact CE2-CG2 3.61Å; F109-V117 HydrophobicContact CG-CG2 4.08Å; F109-V117 HydrophobicContact CZ-CB 3.85Å; F109-V117 HydrophobicContact CZ-CG1 3.83Å; F109-V117 HydrophobicContact CZ-CG2 3.62Å; F109-T132 HydrophobicContact CZ-CG2 4.47Å; F109-T268 CarbonylContact O-C 3.47Å; F109-T268 WeakPolarHBondContact O-CA 3.19Å; F109-Y269 VanDerWaalsContact CD1-O 3.25Å; F109-Y269 WeakPolarHBondContact CD1-O 3.43Å; F109-Y269 HydrophobicContact CD2-CD2 4.38Å; F109-Y269 HydrophobicContact CD2-CG 4.44Å; F109-Y269 WeakPolarHBondContact CE1-O 3.22Å; F109-Y269 HydrophobicContact CE2-CD2 4.28Å; F109-Y269 AromaticContact CE2-CG 3.96Å; F109-Y269 HydrophobicContact CE2-CG 3.96Å; F109-Y269 HydrophobicContact CZ-CG 4.37Å; F109-Y269 PolarHBondContact N-O 3.03Å; F109-Y269 PolarHBondContact O-N 3.32Å; F109-A271 HydrophobicContact CE1-CB 4.03Å; F109-A271 HydrophobicContact CZ-CB 4.23Å
110	S	94.4	Very high	90.8	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	165	-179	60.1	0	0	0	0	112.8	R112 L113 K114	S110-R112 PolarHBondContact O-N 3.33Å; S110-R112 VanDerWaalsContact O-N 3.17Å; S110-L113 PolarHBondContact O-N 3.37Å; S110-K114 PolarHBondContact O-N 2.88Å
111	T	94.6	Very high	91.3	Very high	52 Å²	52	34.9 Å²	34.9	32%	0.319	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-53	-38.1	176.2	-54.2	0	0	0	0	112.6	L113 K114 D266 N267 Y269	T111-L113 PolarHBondContact O-N 3.5Å; T111-K114 VanDerWaalsContact O-CB 3.29Å; T111-K114 WeakPolarHBondContact O-CB 3.08Å; T111-K114 PolarHBondContact O-N 3.04Å; T111-D266 WeakPolarHBondContact CB-OD1 3.47Å; T111-D266 PolarHBondContact OG1-OD1 3.19Å; T111-N267 PolarHBondContact OG1-O 3.15Å; T111-Y269 VanDerWaalsContact CA-CE2 3.47Å; T111-Y269 HydrophobicContact CG2-CE2 4.33Å; T111-Y269 WeakPolarHBondContact OG1-CE2 3.34Å
112	R	95.8	Very high	92.2	Very high	58 Å²	58	38.5 Å²	38.5	22%	0.219	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62	-31.9	-179.1	-168.7	-178.3	67.9	102	9.2	113.1	N81 T82 S84 L87 S110 P115	N81-R112 PolarHBondContact OD1-NH2 3.42Å; T82-R112 PolarHBondContact O-NH2 2.78Å; S84-R112 PolarHBondContact O-NH1 2.92Å; L87-R112 WeakPolarHBondContact CD1-O 3.21Å; S110-R112 PolarHBondContact O-N 3.33Å; S110-R112 VanDerWaalsContact O-N 3.17Å; R112-P115 WeakPolarHBondContact O-CD 3.36Å
113	L	97.1	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-90.2	-8.1	-177.8	-63	178	0	0	0	113.2	F80 N81 L87 F109 S110 T111 P115 V116 V117	F80-L113 HydrophobicContact CD2-CD1 4.22Å; F80-L113 HydrophobicContact CE2-CB 3.84Å; F80-L113 HydrophobicContact CE2-CD1 3.91Å; F80-L113 HydrophobicContact CE2-CD2 4.1Å; F80-L113 HydrophobicContact CE2-CG 4.17Å; F80-L113 HydrophobicContact CZ-CB 4Å; F80-L113 HydrophobicContact CZ-CD1 4.37Å; F80-L113 WeakPolarHBondContact O-CD1 3.36Å; N81-L113 HydrophobicContact CB-CD1 4.5Å; L87-L113 HydrophobicContact CD2-CD2 4.15Å; F109-L113 HydrophobicContact CB-CB 4.27Å; F109-L113 HydrophobicContact CB-CD1 4.38Å; F109-L113 HydrophobicContact CD2-CB 4.39Å; S110-L113 PolarHBondContact O-N 3.37Å; T111-L113 PolarHBondContact O-N 3.5Å; L113-P115 VanDerWaalsContact C-CD 3.48Å; L113-V116 WeakPolarHBondContact O-CB 3.45Å; L113-V116 PolarHBondContact O-N 3.47Å; L113-V117 PolarHBondContact O-N 2.83Å
114	K	95.7	Very high	93.3	Very high	60 Å²	60	38.7 Å²	38.7	26%	0.261	19%	0.188	S	C	.	.	H	α-helix	trans	-54.3	-43.1	179.6	179.7	177.2	170.8	-72.6	0	113.9	F109 S110 T111 V116 V117 E118 Y269	F109-K114 HydrophobicContact CE2-CB 4.14Å; F109-K114 HydrophobicContact CE2-CG 4.48Å; S110-K114 PolarHBondContact O-N 2.88Å; T111-K114 VanDerWaalsContact O-CB 3.29Å; T111-K114 WeakPolarHBondContact O-CB 3.08Å; T111-K114 PolarHBondContact O-N 3.04Å; K114-V116 PolarHBondContact O-N 3.3Å; K114-V117 PolarHBondContact O-N 3.1Å; K114-V117 VanDerWaalsContact O-N 3.16Å; K114-E118 WeakPolarHBondContact CE-OE1 3.4Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 IonicContact NZ-OE1 3.65Å; K114-E118 PolarHBondContact NZ-OE1 3.11Å; K114-E118 IonicContact NZ-OE2 3.83Å; K114-E118 PolarHBondContact NZ-OE2 2.98Å; K114-E118 WeakPolarHBondContact O-CG 3.32Å; K114-E118 PolarHBondContact O-N 3.32Å; K114-Y269 HydrophobicContact CD-CD1 4.23Å; K114-Y269 HydrophobicContact CD-CE1 3.85Å; K114-Y269 HydrophobicContact CD-CE2 4.37Å
115	P	96.8	Very high	93.1	Very high	73 Å²	73	39 Å²	39	47%	0.474	19%	0.189	S	C	.	.	H	α-helix	trans	-58.8	-31.8	177.1	-25.8	36.2	0	0	0	113.7	R112 L113 Y119	R112-P115 WeakPolarHBondContact O-CD 3.36Å; L113-P115 VanDerWaalsContact C-CD 3.48Å; P115-Y119 WeakPolarHBondContact O-CB 3.4Å; P115-Y119 PolarHBondContact O-N 3.47Å
116	V	96.9	Very high	92.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-47	177.6	-178.4	0	0	0	0	110.3	F80 L87 V90 L94 L113 K114 E118 Y119 I120	F80-V116 HydrophobicContact CE2-CB 4.22Å; F80-V116 HydrophobicContact CE2-CG1 4.09Å; L87-V116 HydrophobicContact CB-CG2 3.84Å; L87-V116 HydrophobicContact CD1-CG2 3.85Å; L87-V116 HydrophobicContact CG-CG2 4.35Å; V90-V116 HydrophobicContact CG1-CG2 4.16Å; L94-V116 HydrophobicContact CD1-CG1 3.57Å; L113-V116 WeakPolarHBondContact O-CB 3.45Å; L113-V116 PolarHBondContact O-N 3.47Å; K114-V116 PolarHBondContact O-N 3.3Å; V116-E118 VanDerWaalsContact C-N 3.33Å; V116-E118 PolarHBondContact O-N 3.09Å; V116-Y119 WeakPolarHBondContact O-CB 3.47Å; V116-Y119 PolarHBondContact O-N 3.22Å; V116-I120 WeakPolarHBondContact O-CG1 3.18Å; V116-I120 PolarHBondContact O-N 3.17Å
117	V	95	Very high	91	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-38.2	178.9	-175.4	0	0	0	0	111.2	F80 F106 F109 L113 K114 I120 G121 L130 A271	F80-V117 HydrophobicContact CE1-CG2 3.86Å; F80-V117 HydrophobicContact CZ-CG2 3.46Å; F80-V117 VanDerWaalsContact CZ-CG2 3.46Å; F106-V117 HydrophobicContact CD1-CG1 4.18Å; F106-V117 HydrophobicContact CD1-CG2 3.96Å; F106-V117 HydrophobicContact CD2-CG1 4.12Å; F106-V117 HydrophobicContact CE1-CG1 4.42Å; F106-V117 HydrophobicContact CE1-CG2 4.32Å; F106-V117 HydrophobicContact CE2-CG1 4.36Å; F106-V117 HydrophobicContact CG-CG1 4.01Å; F106-V117 HydrophobicContact CG-CG2 4.44Å; F109-V117 HydrophobicContact CD1-CG2 4.07Å; F109-V117 HydrophobicContact CD2-CG2 3.85Å; F109-V117 HydrophobicContact CE1-CB 4.42Å; F109-V117 HydrophobicContact CE1-CG1 4.17Å; F109-V117 HydrophobicContact CE1-CG2 3.87Å; F109-V117 HydrophobicContact CE2-CB 4Å; F109-V117 HydrophobicContact CE2-CG1 4.48Å; F109-V117 HydrophobicContact CE2-CG2 3.61Å; F109-V117 HydrophobicContact CG-CG2 4.08Å; F109-V117 HydrophobicContact CZ-CB 3.85Å; F109-V117 HydrophobicContact CZ-CG1 3.83Å; F109-V117 HydrophobicContact CZ-CG2 3.62Å; L113-V117 PolarHBondContact O-N 2.83Å; K114-V117 PolarHBondContact O-N 3.1Å; K114-V117 VanDerWaalsContact O-N 3.16Å; V117-I120 PolarHBondContact O-N 3Å; V117-G121 PolarHBondContact O-N 3.24Å; V117-L130 HydrophobicContact CG1-CD2 3.61Å; V117-A271 HydrophobicContact CG1-CB 3.98Å
118	E	93.7	Very high	89.8	Confident	86 Å²	86	55.1 Å²	55.1	40%	0.402	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-41.6	174.6	-71.7	179.2	135.5	0	0	111.9	K114 V116 G121 N122	K114-E118 WeakPolarHBondContact CE-OE1 3.4Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 IonicContact NZ-OE1 3.65Å; K114-E118 PolarHBondContact NZ-OE1 3.11Å; K114-E118 IonicContact NZ-OE2 3.83Å; K114-E118 PolarHBondContact NZ-OE2 2.98Å; K114-E118 WeakPolarHBondContact O-CG 3.32Å; K114-E118 PolarHBondContact O-N 3.32Å; V116-E118 VanDerWaalsContact C-N 3.33Å; V116-E118 PolarHBondContact O-N 3.09Å; E118-G121 PolarHBondContact O-N 2.78Å; E118-N122 WeakPolarHBondContact O-CB 3.48Å; E118-N122 VanDerWaalsContact O-CG 3.24Å; E118-N122 PolarHBondContact O-N 3.28Å; E118-N122 PolarHBondContact O-ND2 3.08Å; E118-N122 VanDerWaalsContact O-ND2 3.16Å
119	Y	94.4	Very high	89	Confident	102 Å²	102	63.4 Å²	63.4	40%	0.4	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-50.9	173.9	173.8	-93.5	0	0	0	112	T91 E95 P115 V116 G121 N122 K123	T91-Y119 HydrophobicContact CG2-CD1 3.57Å; T91-Y119 HydrophobicContact CG2-CE1 3.72Å; T91-Y119 HydrophobicContact CG2-CG 4.43Å; E95-Y119 HydrophobicContact CG-CE1 4.38Å; E95-Y119 VanDerWaalsContact OE1-CE1 3.32Å; E95-Y119 WeakPolarHBondContact OE1-CE1 3.28Å; E95-Y119 PolarHBondContact OE1-OH 3.29Å; P115-Y119 WeakPolarHBondContact O-CB 3.4Å; P115-Y119 PolarHBondContact O-N 3.47Å; V116-Y119 WeakPolarHBondContact O-CB 3.47Å; V116-Y119 PolarHBondContact O-N 3.22Å; Y119-G121 VanDerWaalsContact C-N 3.32Å; Y119-G121 PolarHBondContact O-N 3.21Å; Y119-N122 PolarHBondContact O-N 3.34Å; Y119-K123 HydrophobicContact CE1-CD 3.93Å; Y119-K123 WeakPolarHBondContact O-CB 3.38Å; Y119-K123 PolarHBondContact O-N 3.16Å; Y119-K123 PolarHBondContact OH-NZ 2.79Å
120	I	93.3	Very high	88.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-42.5	178.9	-65.4	-63.6	0	0	0	110.7	L94 E95 I100 F106 V116 V117 K123 Y124 Y125	L94-I120 HydrophobicContact CB-CD1 3.9Å; L94-I120 HydrophobicContact CB-CG1 4.15Å; L94-I120 HydrophobicContact CD1-CG1 4.21Å; E95-I120 HydrophobicContact CG-CD1 3.94Å; I100-I120 HydrophobicContact CD1-CG2 3.98Å; I100-I120 HydrophobicContact CG2-CG2 4.32Å; F106-I120 HydrophobicContact CZ-CG2 3.86Å; V116-I120 WeakPolarHBondContact O-CG1 3.18Å; V116-I120 PolarHBondContact O-N 3.17Å; V117-I120 PolarHBondContact O-N 3Å; I120-K123 PolarHBondContact O-N 3.43Å; I120-Y124 HydrophobicContact CD1-CD2 4.28Å; I120-Y124 HydrophobicContact CD1-CE2 3.94Å; I120-Y124 HydrophobicContact CG2-CD2 3.97Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.12Å; I120-Y125 HydrophobicContact CG2-CE2 4.28Å
121	G	90.4	Very high	87.7	Confident	10 Å²	10	70.7 Å²	70.7	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-54.4	-53.7	173	0	0	0	0	0	112.2	V117 E118 Y119 K123 Y125	V117-G121 PolarHBondContact O-N 3.24Å; E118-G121 PolarHBondContact O-N 2.78Å; Y119-G121 VanDerWaalsContact C-N 3.32Å; Y119-G121 PolarHBondContact O-N 3.21Å; G121-K123 VanDerWaalsContact C-N 3.27Å; G121-K123 PolarHBondContact O-N 3Å; G121-Y125 WeakPolarHBondContact O-CA 3.36Å; G121-Y125 VanDerWaalsContact O-CB 3.22Å; G121-Y125 WeakPolarHBondContact O-CB 3.37Å; G121-Y125 PolarHBondContact O-N 3.15Å
122	N	89.4	Confident	87.3	Confident	137 Å²	137	71.3 Å²	71.3	73%	0.733	36%	0.356	S	S	*	.	H	α-helix	trans	-62.6	-34.5	-179.6	-70.5	-29.6	0	0	0	113.1	E118 Y119	E118-N122 WeakPolarHBondContact O-CB 3.48Å; E118-N122 VanDerWaalsContact O-CG 3.24Å; E118-N122 PolarHBondContact O-N 3.28Å; E118-N122 PolarHBondContact O-ND2 3.08Å; E118-N122 VanDerWaalsContact O-ND2 3.16Å; Y119-N122 PolarHBondContact O-N 3.34Å
123	K	89.3	Confident	86.9	Confident	100 Å²	100	71 Å²	71	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-79.7	-42.7	-176.4	-176.7	168	176.6	175.4	0	113.3	E95 Y119 I120 G121	E95-K123 IonicContact OE1-NZ 3.1Å; E95-K123 PolarHBondContact OE1-NZ 3.13Å; Y119-K123 HydrophobicContact CE1-CD 3.93Å; Y119-K123 WeakPolarHBondContact O-CB 3.38Å; Y119-K123 PolarHBondContact O-N 3.16Å; Y119-K123 PolarHBondContact OH-NZ 2.79Å; I120-K123 PolarHBondContact O-N 3.43Å; G121-K123 VanDerWaalsContact C-N 3.27Å; G121-K123 PolarHBondContact O-N 3Å
124	Y	87.9	Confident	86.4	Confident	69 Å²	69	74 Å²	74	27%	0.271	38%	0.376	S	S	.	.	H	α-helix	trans	-110.2	-20.9	-169.1	-62.3	-83.1	0	0	0	113.9	E95 I100 E101 I120	E95-Y124 WeakPolarHBondContact CB-OH 3.27Å; E95-Y124 HydrophobicContact CG-CE2 4.26Å; I100-Y124 HydrophobicContact CG2-CD1 4.47Å; I100-Y124 HydrophobicContact CG2-CD2 4.31Å; I100-Y124 HydrophobicContact CG2-CG 4.05Å; E101-Y124 WeakPolarHBondContact CB-O 3.19Å; I120-Y124 HydrophobicContact CD1-CD2 4.28Å; I120-Y124 HydrophobicContact CD1-CE2 3.94Å; I120-Y124 HydrophobicContact CG2-CD2 3.97Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.12Å
125	Y	83.4	Confident	85.8	Confident	14 Å²	14	71.5 Å²	71.5	6%	0.055	37%	0.366	C	S	.	.			trans	-104.5	28.8	-174.1	-67.6	-105.1	0	0	0	113.3	I100 E101 F106 I120 G121 N127 K128 L130	I100-Y125 PolarHBondContact O-OH 2.86Å; E101-Y125 HydrophobicContact CB-CD1 4.1Å; E101-Y125 HydrophobicContact CB-CD2 4.09Å; E101-Y125 HydrophobicContact CB-CE1 4.11Å; E101-Y125 HydrophobicContact CB-CE2 4.1Å; E101-Y125 HydrophobicContact CB-CG 4.11Å; E101-Y125 WeakPolarHBondContact O-CE1 3.27Å; F106-Y125 HydrophobicContact CE2-CE2 4.26Å; F106-Y125 WeakPolarHBondContact CE2-OH 3.45Å; I120-Y125 HydrophobicContact CG2-CE2 4.28Å; G121-Y125 WeakPolarHBondContact O-CA 3.36Å; G121-Y125 VanDerWaalsContact O-CB 3.22Å; G121-Y125 WeakPolarHBondContact O-CB 3.37Å; G121-Y125 PolarHBondContact O-N 3.15Å; Y125-N127 PolarHBondContact O-N 2.94Å; Y125-K128 WeakPolarHBondContact CB-O 3.25Å; Y125-K128 CarbonylContact O-C 3.44Å; Y125-K128 VanDerWaalsContact O-C 3.3Å; Y125-K128 PolarHBondContact O-N 3.12Å; Y125-L130 HydrophobicContact CD1-CB 4.32Å; Y125-L130 HydrophobicContact CD1-CD1 4.16Å; Y125-L130 HydrophobicContact CE1-CD1 3.75Å; Y125-L130 HydrophobicContact CG-CB 4.32Å
126	A	70.7	Confident	85.2	Confident	85 Å²	85	68.6 Å²	68.6	70%	0.702	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-31	-171.8	0	0	0	0	0	114.9
127	N	69.3	Low	84.9	Confident	168 Å²	168	68.6 Å²	68.6	90%	0.898	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-5.4	-178.4	-63	-34.5	0	0	0	114.3	Y125	Y125-N127 PolarHBondContact O-N 2.94Å
128	K	69.6	Low	84.5	Confident	132 Å²	132	68.5 Å²	68.5	57%	0.574	35%	0.346	S	S	*	.	S	Bend	trans	-141.9	97.4	-179.2	-73.8	-177.6	-177.1	174.2	0	108.4	N102 Y125 L130	N102-K128 PolarHBondContact OD1-NZ 3.29Å; Y125-K128 WeakPolarHBondContact CB-O 3.25Å; Y125-K128 CarbonylContact O-C 3.44Å; Y125-K128 VanDerWaalsContact O-C 3.3Å; Y125-K128 PolarHBondContact O-N 3.12Å; K128-L130 PolarHBondContact O-N 3.25Å; K128-L130 VanDerWaalsContact O-N 3.08Å
129	K	74.3	Confident	83.7	Confident	174 Å²	174	65.4 Å²	65.4	76%	0.757	34%	0.335	S	S	*	.			trans	-57.1	120.4	-176.9	-172	175.1	-177.8	176.8	0	110.5	H131	K129-H131 PolarHBondContact O-CD2 2.92Å; K129-H131 PolarHBondContact O-N 3.09Å
130	L	81.8	Confident	82.7	Confident	22 Å²	22	60.9 Å²	60.9	12%	0.115	32%	0.319	C	S	.	.			trans	-63	118.5	174.2	-174.1	69.1	0	0	0	109.2	F106 V117 Y125 K128 A271	F106-L130 HydrophobicContact CD2-CD1 4.37Å; F106-L130 HydrophobicContact CD2-CD2 4.21Å; F106-L130 HydrophobicContact CE2-CD2 4.13Å; V117-L130 HydrophobicContact CG1-CD2 3.61Å; Y125-L130 HydrophobicContact CD1-CB 4.32Å; Y125-L130 HydrophobicContact CD1-CD1 4.16Å; Y125-L130 HydrophobicContact CE1-CD1 3.75Å; Y125-L130 HydrophobicContact CG-CB 4.32Å; K128-L130 PolarHBondContact O-N 3.25Å; K128-L130 VanDerWaalsContact O-N 3.08Å; L130-A271 HydrophobicContact CD1-CB 4.03Å; L130-A271 HydrophobicContact CD2-CB 3.79Å; L130-A271 HydrophobicContact CG-CB 3.78Å
131	H	83.3	Confident	81.9	Confident	137 Å²	137	63.9 Å²	63.9	63%	0.634	34%	0.339	S	S	*	.			trans	-91.1	114.2	-176.4	-76.9	-83.1	0	0	0	110.1	K129 A271 A272	K129-H131 PolarHBondContact O-CD2 2.92Å; K129-H131 PolarHBondContact O-N 3.09Å; H131-A271 WeakPolarHBondContact O-CA 3.4Å; H131-A272 PolarHBondContact N-O 3.3Å; H131-A272 PolarHBondContact O-N 3.16Å
132	T	85.3	Confident	81.2	Confident	66 Å²	66	69.8 Å²	69.8	41%	0.405	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130	177.8	-51.7	0	0	0	0	111.5	F109 Y269 W270	F109-T132 HydrophobicContact CZ-CG2 4.47Å; T132-Y269 HydrophobicContact CG2-CD1 3.91Å; T132-Y269 HydrophobicContact CG2-CG 4.46Å; T132-W270 CarbonylContact C-O 3.23Å; T132-W270 VanDerWaalsContact CA-O 3.25Å; T132-W270 WeakPolarHBondContact CA-O 3.43Å
133	V	87.1	Confident	80.6	Confident	52 Å²	52	69.5 Å²	69.5	32%	0.315	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136	168.2	178.9	0	0	0	0	108.5	V247 Y269 W270	V133-V247 HydrophobicContact CG1-CG2 4.4Å; V133-Y269 WeakPolarHBondContact O-CA 3.44Å; V133-W270 HydrophobicContact CB-CB 4.5Å; V133-W270 PolarHBondContact N-O 2.96Å; V133-W270 PolarHBondContact O-N 3.26Å
134	D	87.2	Confident	79.4	Confident	63 Å²	63	66.8 Å²	66.8	34%	0.337	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.6	176.4	60.5	-48.7	0	0	0	111.3	T248 Y269	D134-T248 HydrophobicContact CB-CG2 4.31Å; D134-T248 PolarHBondContact O-N 2.92Å; D134-T248 WeakPolarHBondContact OD2-CB 3.17Å; D134-T248 WeakPolarHBondContact OD2-CG2 3.35Å; D134-T248 PolarHBondContact OD2-OG1 2.72Å; D134-Y269 HydrophobicContact CB-CD1 3.98Å; D134-Y269 HydrophobicContact CB-CE1 3.8Å
135	T	82.4	Confident	78.2	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.043	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.3	171.4	83.5	0	0	0	0	109.9	P245 V246 V247 N267 T268 W270	T135-P245 HydrophobicContact CG2-CB 4.25Å; T135-P245 WeakPolarHBondContact OG1-CA 3.39Å; T135-P245 WeakPolarHBondContact OG1-CB 3.49Å; T135-V246 CarbonylContact C-O 3.56Å; T135-V246 VanDerWaalsContact CA-O 3.3Å; T135-V246 WeakPolarHBondContact CA-O 3.44Å; T135-V246 VanDerWaalsContact CB-O 3.29Å; T135-V246 WeakPolarHBondContact CB-O 3.45Å; T135-V247 HydrophobicContact CG2-CB 4.45Å; T135-V247 HydrophobicContact CG2-CG2 3.94Å; T135-N267 CarbonylContact O-C 3.42Å; T135-N267 VanDerWaalsContact O-CA 3.27Å; T135-N267 WeakPolarHBondContact O-CA 3.3Å; T135-T268 PolarHBondContact N-O 2.6Å; T135-T268 PolarHBondContact O-N 2.99Å; T135-W270 VanDerWaalsContact CB-CZ3 3.42Å; T135-W270 HydrophobicContact CG2-CD2 4.5Å; T135-W270 HydrophobicContact CG2-CE3 3.64Å; T135-W270 HydrophobicContact CG2-CH2 3.49Å; T135-W270 VanDerWaalsContact CG2-CH2 3.49Å; T135-W270 HydrophobicContact CG2-CZ2 4.29Å; T135-W270 HydrophobicContact CG2-CZ3 3.07Å; T135-W270 WeakPolarHBondContact OG1-CH2 3.32Å; T135-W270 WeakPolarHBondContact OG1-CZ3 3.49Å
136	V	84.6	Confident	77.8	Confident	12 Å²	12	67.7 Å²	67.7	7%	0.073	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.8	169.1	-173.8	0	0	0	0	108.7	Y138 P245 V246 T248 A264	V136-Y138 HydrophobicContact CB-CD2 4.29Å; V136-Y138 HydrophobicContact CB-CE2 3.59Å; V136-Y138 HydrophobicContact CG1-CD2 4.13Å; V136-Y138 HydrophobicContact CG1-CE1 4.31Å; V136-Y138 HydrophobicContact CG1-CE2 3.56Å; V136-Y138 WeakPolarHBondContact O-CD2 3.44Å; V136-P245 WeakPolarHBondContact O-CA 3.29Å; V136-V246 PolarHBondContact N-O 3.48Å; V136-V246 PolarHBondContact O-N 3.25Å; V136-T248 HydrophobicContact CG2-CG2 3.88Å; V136-A264 HydrophobicContact CG1-CB 3.44Å; V136-A264 VanDerWaalsContact CG1-CB 3.44Å
137	W	90.7	Very high	77.6	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.008	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.8	178.1	-165.4	-128	0	0	0	110.2	T27 P29 I206 S208 L243 P245 A264 I265 D266	T27-W137 PolarHBondContact O-NE1 3.41Å; P29-W137 HydrophobicContact CB-CH2 4.32Å; P29-W137 HydrophobicContact CB-CZ2 4.13Å; P29-W137 HydrophobicContact CG-CD2 4.27Å; P29-W137 HydrophobicContact CG-CH2 4.42Å; P29-W137 HydrophobicContact CG-CZ2 3.95Å; W137-I206 HydrophobicContact CH2-CD1 3.56Å; W137-I206 HydrophobicContact CH2-CG1 4.13Å; W137-I206 HydrophobicContact CZ3-CD1 3.79Å; W137-S208 VanDerWaalsContact CH2-OG 3.27Å; W137-S208 WeakPolarHBondContact CH2-OG 3.28Å; W137-L243 HydrophobicContact CH2-CB 4.06Å; W137-L243 HydrophobicContact CZ2-CB 3.49Å; W137-L243 VanDerWaalsContact CZ2-CB 3.49Å; W137-L243 HydrophobicContact CZ2-CD1 3.58Å; W137-L243 HydrophobicContact CZ2-CG 4.04Å; W137-P245 HydrophobicContact CE3-CB 3.7Å; W137-P245 HydrophobicContact CE3-CG 4.22Å; W137-P245 HydrophobicContact CZ3-CB 3.62Å; W137-P245 VanDerWaalsContact CZ3-CD 3.44Å; W137-P245 HydrophobicContact CZ3-CG 3.66Å; W137-A264 CarbonylContact O-C 3.54Å; W137-A264 WeakPolarHBondContact O-CA 3.47Å; W137-I265 HydrophobicContact CB-CG1 4.44Å; W137-I265 HydrophobicContact CG-CG1 4.32Å; W137-I265 WeakPolarHBondContact O-CG1 3.33Å; W137-I265 PolarHBondContact O-N 3.18Å; W137-D266 HydrophobicContact CB-CB 4.42Å; W137-D266 VanDerWaalsContact CB-O 3.31Å; W137-D266 WeakPolarHBondContact CB-O 3.34Å; W137-D266 PolarHBondContact N-O 2.83Å
138	Y	85.5	Confident	77.6	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145	-178.4	-72.1	-87.2	0	0	0	112.1	V136 L243 A244 V246 R254 F257 E258 F262 R263 A264	V136-Y138 HydrophobicContact CB-CD2 4.29Å; V136-Y138 HydrophobicContact CB-CE2 3.59Å; V136-Y138 HydrophobicContact CG1-CD2 4.13Å; V136-Y138 HydrophobicContact CG1-CE1 4.31Å; V136-Y138 HydrophobicContact CG1-CE2 3.56Å; V136-Y138 WeakPolarHBondContact O-CD2 3.44Å; Y138-L243 CarbonylContact O-C 3.58Å; Y138-L243 WeakPolarHBondContact O-CA 3.38Å; Y138-A244 PolarHBondContact N-O 2.89Å; Y138-A244 PolarHBondContact O-N 2.94Å; Y138-V246 HydrophobicContact CD2-CB 4.22Å; Y138-V246 HydrophobicContact CD2-CG2 3.77Å; Y138-V246 HydrophobicContact CE2-CB 3.92Å; Y138-V246 HydrophobicContact CE2-CG2 3.89Å; Y138-R254 HydrophobicContact CE2-CG 4.3Å; Y138-R254 WeakPolarHBondContact OH-CG 3.46Å; Y138-R254 PolarHBondContact OH-NE 2.99Å; Y138-F257 HydrophobicContact CD1-CB 4.27Å; Y138-F257 HydrophobicContact CE1-CB 4.48Å; Y138-F257 HydrophobicContact CG-CB 4.31Å; Y138-E258 HydrophobicContact CE1-CG 4.02Å; Y138-F262 HydrophobicContact CD1-CB 4.07Å; Y138-F262 HydrophobicContact CG-CB 4.41Å; Y138-R263 CarbonylContact C-O 3.5Å; Y138-R263 VanDerWaalsContact CA-O 3.27Å; Y138-R263 WeakPolarHBondContact CA-O 3.39Å; Y138-A264 HydrophobicContact CD1-CB 4.35Å; Y138-A264 HydrophobicContact CE1-CB 4.05Å
139	A	77.4	Confident	76.9	Confident	20 Å²	20	61.3 Å²	61.3	17%	0.165	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.1	171.3	0	0	0	0	0	112.2	V242 L243 F262 R263 I265	A139-V242 WeakPolarHBondContact CA-O 3.16Å; A139-L243 HydrophobicContact CB-CD2 3.8Å; A139-F262 CarbonylContact O-C 3.6Å; A139-F262 VanDerWaalsContact O-CA 3.28Å; A139-F262 WeakPolarHBondContact O-CA 3.36Å; A139-R263 PolarHBondContact N-O 3Å; A139-R263 PolarHBondContact O-N 2.64Å; A139-I265 HydrophobicContact CB-CD1 3.93Å; A139-I265 HydrophobicContact CB-CG1 4.4Å; A139-I265 HydrophobicContact CB-CG2 4.22Å
140	A	74.1	Confident	76.2	Confident	8 Å²	8	55.3 Å²	55.3	7%	0.066	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.2	170.4	0	0	0	0	0	111.1	L144 V145 V242 F262	A140-L144 HydrophobicContact CB-CD2 4.12Å; A140-V145 HydrophobicContact CB-CG2 4.12Å; A140-V242 HydrophobicContact CB-CB 4.26Å; A140-V242 HydrophobicContact CB-CG1 4.09Å; A140-V242 PolarHBondContact N-O 2.83Å; A140-V242 VanDerWaalsContact N-O 3.13Å; A140-F262 HydrophobicContact CB-CD1 3.78Å; A140-F262 HydrophobicContact CB-CD2 4Å; A140-F262 HydrophobicContact CB-CE1 3.61Å; A140-F262 HydrophobicContact CB-CE2 3.82Å; A140-F262 HydrophobicContact CB-CG 3.98Å; A140-F262 HydrophobicContact CB-CZ 3.62Å
141	S	76.2	Confident	75.1	Confident	62 Å²	62	62.8 Å²	62.8	43%	0.434	33%	0.331	S	S	.	.			trans	-77.6	157	175.3	88.9	0	0	0	0	111.4	E143 L144 V145	S141-E143 VanDerWaalsContact C-N 3.33Å; S141-E143 WeakPolarHBondContact CB-OE2 3.47Å; S141-E143 PolarHBondContact O-N 3.22Å; S141-E143 PolarHBondContact OG-OE2 3.22Å; S141-L144 PolarHBondContact O-N 3.5Å; S141-L144 PolarHBondContact OG-N 3.2Å; S141-V145 WeakPolarHBondContact O-CG2 3.25Å; S141-V145 PolarHBondContact O-N 3.08Å
142	K	75.8	Confident	74.9	Confident	134 Å²	134	58 Å²	58	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-60.7	-42.8	179.3	-174.3	175	179.1	179.4	0	112.1	L144 V145 D146	K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 PolarHBondContact O-N 3.31Å; K142-V145 WeakPolarHBondContact O-CB 3.45Å; K142-V145 PolarHBondContact O-N 3.16Å; K142-V145 VanDerWaalsContact O-N 3.08Å; K142-D146 PolarHBondContact O-N 2.57Å
143	E	77.4	Confident	75	Confident	132 Å²	132	61 Å²	61	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-38.2	-179.2	-55.6	73.2	-157.6	0	0	111.8	S141	S141-E143 VanDerWaalsContact C-N 3.33Å; S141-E143 WeakPolarHBondContact CB-OE2 3.47Å; S141-E143 PolarHBondContact O-N 3.22Å; S141-E143 PolarHBondContact OG-OE2 3.22Å
144	L	64.6	Low	75.3	Confident	43 Å²	43	63.4 Å²	63.4	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-46.1	175.6	171.9	63	0	0	0	110.9	A140 S141 K142 D146 T147 F148 L260	A140-L144 HydrophobicContact CB-CD2 4.12Å; S141-L144 PolarHBondContact O-N 3.5Å; S141-L144 PolarHBondContact OG-N 3.2Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 PolarHBondContact O-N 3.31Å; L144-D146 VanDerWaalsContact C-N 3.29Å; L144-D146 PolarHBondContact O-N 2.55Å; L144-T147 WeakPolarHBondContact O-CB 3.43Å; L144-T147 PolarHBondContact O-N 2.87Å; L144-T147 PolarHBondContact O-OG1 2.97Å; L144-F148 HydrophobicContact CD1-CE1 4.16Å; L144-F148 HydrophobicContact CD1-CZ 4.09Å; L144-F148 HydrophobicContact CG-CE1 4.46Å; L144-F148 HydrophobicContact CG-CZ 3.94Å; L144-L260 WeakPolarHBondContact CD1-O 3.27Å; L144-L260 VanDerWaalsContact CD2-O 3.3Å; L144-L260 WeakPolarHBondContact CD2-O 3.48Å
145	V	62.4	Low	75.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-35.9	-177.3	173.6	0	0	0	0	112.3	A140 S141 K142 T147 F148 A232 K233 V242	A140-V145 HydrophobicContact CB-CG2 4.12Å; S141-V145 WeakPolarHBondContact O-CG2 3.25Å; S141-V145 PolarHBondContact O-N 3.08Å; K142-V145 WeakPolarHBondContact O-CB 3.45Å; K142-V145 PolarHBondContact O-N 3.16Å; K142-V145 VanDerWaalsContact O-N 3.08Å; V145-T147 PolarHBondContact O-N 3.48Å; V145-T147 VanDerWaalsContact O-N 3.15Å; V145-F148 HydrophobicContact CG2-CE2 4.37Å; V145-F148 PolarHBondContact O-N 3.42Å; V145-A232 HydrophobicContact CG1-CB 4.24Å; V145-A232 WeakPolarHBondContact CG1-O 3.38Å; V145-A232 HydrophobicContact CG2-CB 3.95Å; V145-K233 VanDerWaalsContact CG1-CA 3.4Å; V145-K233 HydrophobicContact CG1-CB 4.1Å; V145-V242 HydrophobicContact CG2-CG2 4.23Å
146	D	74.6	Confident	76.4	Confident	101 Å²	101	63.9 Å²	63.9	54%	0.54	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.6	179.2	-72	-22.5	0	0	0	113.1	K142 L144 F148	K142-D146 PolarHBondContact O-N 2.57Å; L144-D146 VanDerWaalsContact C-N 3.29Å; L144-D146 PolarHBondContact O-N 2.55Å; D146-F148 VanDerWaalsContact C-N 3.3Å; D146-F148 PolarHBondContact O-N 3.01Å
147	T	67.1	Low	77	Confident	103 Å²	103	66.5 Å²	66.5	63%	0.632	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.6	178.3	71.7	0	0	0	0	114.6	L144 V145	L144-T147 WeakPolarHBondContact O-CB 3.43Å; L144-T147 PolarHBondContact O-N 2.87Å; L144-T147 PolarHBondContact O-OG1 2.97Å; V145-T147 PolarHBondContact O-N 3.48Å; V145-T147 VanDerWaalsContact O-N 3.15Å
148	F	68.9	Low	77.3	Confident	11 Å²	11	73.2 Å²	73.2	5%	0.048	38%	0.375	C	S	.	.			trans	-87.5	131.9	-173.2	-56.9	-22.9	0	0	0	112.8	L144 V145 D146 K229 A232 K233	L144-F148 HydrophobicContact CD1-CE1 4.16Å; L144-F148 HydrophobicContact CD1-CZ 4.09Å; L144-F148 HydrophobicContact CG-CE1 4.46Å; L144-F148 HydrophobicContact CG-CZ 3.94Å; V145-F148 HydrophobicContact CG2-CE2 4.37Å; V145-F148 PolarHBondContact O-N 3.42Å; D146-F148 VanDerWaalsContact C-N 3.3Å; D146-F148 PolarHBondContact O-N 3.01Å; F148-K229 HydrophobicContact CB-CB 4Å; F148-K229 HydrophobicContact CB-CD 4.49Å; F148-K229 HydrophobicContact CB-CG 4.46Å; F148-K229 HydrophobicContact CD1-CB 4.22Å; F148-K229 HydrophobicContact CD1-CD 3.66Å; F148-K229 HydrophobicContact CD1-CG 3.74Å; F148-K229 VanDerWaalsContact CD2-CA 3.47Å; F148-K229 HydrophobicContact CD2-CB 3.54Å; F148-K229 HydrophobicContact CD2-CD 4.46Å; F148-K229 HydrophobicContact CD2-CG 3.71Å; F148-K229 WeakPolarHBondContact CD2-O 2.99Å; F148-K229 HydrophobicContact CE1-CD 3.93Å; F148-K229 HydrophobicContact CE1-CG 3.8Å; F148-K229 HydrophobicContact CE2-CB 4Å; F148-K229 HydrophobicContact CE2-CG 3.75Å; F148-K229 HydrophobicContact CG-CB 3.65Å; F148-K229 HydrophobicContact CG-CD 3.95Å; F148-K229 HydrophobicContact CG-CG 3.7Å; F148-K229 HydrophobicContact CZ-CD 4.44Å; F148-K229 HydrophobicContact CZ-CG 3.8Å; F148-A232 HydrophobicContact CD2-CB 4.47Å; F148-A232 HydrophobicContact CE2-CB 4.22Å; F148-K233 WeakPolarHBondContact O-CD 3.38Å; F148-K233 PolarHBondContact O-NZ 3.33Å
149	N	54.5	Low	77.8	Confident	137 Å²	137	74 Å²	74	73%	0.733	38%	0.38	S	S	*	.			trans	-133.2	92.6	-179	-170.4	29.3	0	0	0	114.1
150	I	59	Low	78.8	Confident	48 Å²	48	73 Å²	73	25%	0.246	37%	0.372	C	S	.	.			trans	-154.3	149.4	-170.7	-60.1	154	0	0	0	111.1	L152 L226 K229 S230	I150-L152 HydrophobicContact CG2-CG 4.26Å; I150-L226 HydrophobicContact CB-CD1 4.18Å; I150-L226 HydrophobicContact CD1-CD1 3.37Å; I150-L226 HydrophobicContact CD1-CG 4.09Å; I150-L226 HydrophobicContact CG1-CD1 3.56Å; I150-L226 HydrophobicContact CG1-CG 4.48Å; I150-L226 HydrophobicContact CG2-CD1 3.47Å; I150-L226 VanDerWaalsContact CG2-CD1 3.47Å; I150-L226 HydrophobicContact CG2-CD2 4.25Å; I150-L226 HydrophobicContact CG2-CG 3.69Å; I150-K229 HydrophobicContact CD1-CB 3.83Å; I150-K229 HydrophobicContact CD1-CD 4.01Å; I150-S230 WeakPolarHBondContact CG2-OG 3.37Å
151	H	58.4	Low	79.9	Confident	179 Å²	179	76.6 Å²	76.6	83%	0.829	39%	0.387	S	S	*	.			trans	-117.6	128.4	169.3	-63.8	-78.5	0	0	0	112.1
152	L	79.9	Confident	80.9	Confident	36 Å²	36	75.4 Å²	75.4	19%	0.188	38%	0.375	C	S	.	.			trans	-133.6	161.2	173.5	-71.4	174.9	0	0	0	109.2	I150 L188 A190 L226 L227	I150-L152 HydrophobicContact CG2-CG 4.26Å; L152-L188 HydrophobicContact CB-CB 4.41Å; L152-L188 HydrophobicContact CB-CD1 4.31Å; L152-L188 HydrophobicContact CB-CD2 4.32Å; L152-L188 HydrophobicContact CD1-CD1 4.44Å; L152-A190 HydrophobicContact CD2-CB 4.17Å; L152-L226 HydrophobicContact CD1-CD2 4.38Å; L152-L226 HydrophobicContact CD1-CG 4.31Å; L152-L226 HydrophobicContact CD2-CD2 3.87Å; L152-L226 HydrophobicContact CG-CD2 4.4Å; L152-L227 HydrophobicContact CD1-CB 4.44Å; L152-L227 HydrophobicContact CD1-CD2 3.58Å; L152-L227 HydrophobicContact CD1-CG 3.87Å
153	Q	86.4	Confident	81.9	Confident	130 Å²	130	69 Å²	69	61%	0.607	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-92.9	155.7	-176.6	-62	-176.3	11.9	0	0	111.5	L188 G189 Y191	Q153-L188 WeakPolarHBondContact O-CA 3.37Å; Q153-L188 WeakPolarHBondContact O-CD2 3.3Å; Q153-G189 PolarHBondContact N-O 2.9Å; Q153-G189 PolarHBondContact O-N 3.41Å; Q153-Y191 HydrophobicContact CB-CD2 4.32Å; Q153-Y191 HydrophobicContact CB-CE2 4.06Å
154	H	93.6	Very high	82.8	Confident	102 Å²	102	63.8 Å²	63.8	47%	0.472	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-74.8	146.1	171	-75.3	-76.5	0	0	0	110.2	N187 K234	H154-N187 PolarHBondContact ND1-O 3.22Å; H154-N187 VanDerWaalsContact ND1-O 3.17Å; H154-K234 PolarHBondContact NE2-NZ 3.22Å
155	L	96.7	Very high	84.3	Confident	14 Å²	14	68.2 Å²	68.2	7%	0.073	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-71.3	152.6	173.3	-59.4	167.9	0	0	0	110.4	D159 I163 I182 N187 L197 W200 L202	L155-D159 HydrophobicContact CB-CB 4.36Å; L155-D159 HydrophobicContact CD2-CB 4.18Å; L155-I163 HydrophobicContact CD1-CD1 3.71Å; L155-I163 HydrophobicContact CD2-CD1 4.25Å; L155-I182 HydrophobicContact CB-CD1 4.28Å; L155-I182 HydrophobicContact CB-CG1 4.29Å; L155-I182 HydrophobicContact CB-CG2 4.09Å; L155-I182 HydrophobicContact CD1-CD1 4.35Å; L155-I182 HydrophobicContact CD1-CG1 4.12Å; L155-N187 WeakPolarHBondContact CB-OD1 3.21Å; L155-N187 HydrophobicContact CD1-CB 3.96Å; L155-N187 HydrophobicContact CG-CB 4.47Å; L155-N187 WeakPolarHBondContact CG-OD1 3.43Å; L155-N187 PolarHBondContact N-OD1 2.88Å; L155-L197 HydrophobicContact CD2-CD1 3.65Å; L155-L197 HydrophobicContact CD2-CD2 4.03Å; L155-W200 HydrophobicContact CD1-CB 4.35Å; L155-W200 HydrophobicContact CD2-CB 4.14Å; L155-L202 HydrophobicContact CD1-CD2 3.75Å; L155-L202 HydrophobicContact CD1-CG 4.03Å
156	T	96.3	Very high	85.9	Confident	66 Å²	66	71 Å²	71	41%	0.405	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-96.5	162.6	168.6	65.2	0	0	0	0	110.1	E158 D159 I182	T156-E158 WeakPolarHBondContact CB-OE2 3.24Å; T156-E158 PolarHBondContact O-N 3.12Å; T156-D159 PolarHBondContact N-OD2 3.44Å; T156-D159 WeakPolarHBondContact O-CB 3.26Å; T156-D159 PolarHBondContact O-N 3.35Å; T156-D159 VanDerWaalsContact OG1-CG 3.29Å; T156-D159 PolarHBondContact OG1-N 3.23Å; T156-D159 PolarHBondContact OG1-OD2 3.47Å; T156-I182 WeakPolarHBondContact O-CD1 3.36Å
157	I	96.8	Very high	86.8	Confident	66 Å²	66	68.3 Å²	68.3	34%	0.338	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-65.7	-30.2	179.8	-68.3	-68.2	0	0	0	111	D159 A160 R179 I182 K183	I157-D159 VanDerWaalsContact C-N 3.26Å; I157-D159 PolarHBondContact O-N 3.31Å; I157-A160 WeakPolarHBondContact O-CB 3.47Å; I157-A160 PolarHBondContact O-N 2.99Å; I157-A160 VanDerWaalsContact O-N 3.1Å; I157-R179 HydrophobicContact CG2-CG 4.14Å; I157-I182 HydrophobicContact CD1-CB 4.03Å; I157-I182 HydrophobicContact CD1-CG2 3.82Å; I157-I182 HydrophobicContact CG1-CG2 4.48Å; I157-K183 HydrophobicContact CD1-CB 3.97Å
158	E	97.1	Very high	87.8	Confident	143 Å²	143	68.4 Å²	68.4	67%	0.668	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64	-30.7	176.6	-64.7	69.3	-154.1	0	0	112	T156 A160 E161	T156-E158 WeakPolarHBondContact CB-OE2 3.24Å; T156-E158 PolarHBondContact O-N 3.12Å; E158-A160 PolarHBondContact O-N 2.9Å; E158-A160 VanDerWaalsContact O-N 3.11Å; E158-E161 PolarHBondContact O-N 2.93Å
159	D	97.6	Very high	88.7	Confident	18 Å²	18	72.7 Å²	72.7	10%	0.096	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-62.9	-16.9	174.8	-68.7	-55.4	0	0	0	112.7	L155 T156 I157 E161 I162 I163 Y191 L197	L155-D159 HydrophobicContact CB-CB 4.36Å; L155-D159 HydrophobicContact CD2-CB 4.18Å; T156-D159 PolarHBondContact N-OD2 3.44Å; T156-D159 WeakPolarHBondContact O-CB 3.26Å; T156-D159 PolarHBondContact O-N 3.35Å; T156-D159 VanDerWaalsContact OG1-CG 3.29Å; T156-D159 PolarHBondContact OG1-N 3.23Å; T156-D159 PolarHBondContact OG1-OD2 3.47Å; I157-D159 VanDerWaalsContact C-N 3.26Å; I157-D159 PolarHBondContact O-N 3.31Å; D159-E161 PolarHBondContact O-N 3.33Å; D159-I162 WeakPolarHBondContact O-CG2 3.38Å; D159-I162 PolarHBondContact O-N 2.88Å; D159-I163 HydrophobicContact CB-CD1 4.19Å; D159-I163 WeakPolarHBondContact O-CB 3.41Å; D159-I163 WeakPolarHBondContact O-CD1 3.48Å; D159-I163 WeakPolarHBondContact O-CG1 3.19Å; D159-I163 PolarHBondContact O-N 3.18Å; D159-Y191 PolarHBondContact OD2-OH 2.92Å; D159-L197 HydrophobicContact CB-CD2 4.01Å
160	A	97.6	Very high	90.3	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-32.7	177.1	0	0	0	0	0	112.5	I157 E158 I163 N164 I175 V178 R179 I182	I157-A160 WeakPolarHBondContact O-CB 3.47Å; I157-A160 PolarHBondContact O-N 2.99Å; I157-A160 VanDerWaalsContact O-N 3.1Å; E158-A160 PolarHBondContact O-N 2.9Å; E158-A160 VanDerWaalsContact O-N 3.11Å; A160-I163 PolarHBondContact O-N 3.19Å; A160-N164 WeakPolarHBondContact O-CB 3.27Å; A160-N164 PolarHBondContact O-N 2.97Å; A160-I175 HydrophobicContact CB-CD1 3.59Å; A160-I175 WeakPolarHBondContact O-CD1 3.19Å; A160-V178 HydrophobicContact CB-CB 4.29Å; A160-V178 HydrophobicContact CB-CG1 3.78Å; A160-R179 HydrophobicContact CB-CB 4.46Å; A160-R179 HydrophobicContact CB-CG 3.48Å; A160-R179 VanDerWaalsContact CB-CG 3.48Å; A160-I182 HydrophobicContact CB-CD1 3.89Å
161	E	96.9	Very high	91.7	Very high	83 Å²	83	71.1 Å²	71.1	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-55.9	-177.2	-62.9	-58	170.1	0	0	111.6	E158 D159 I163 N164 E165 I175 R179	E158-E161 PolarHBondContact O-N 2.93Å; D159-E161 PolarHBondContact O-N 3.33Å; E161-I163 PolarHBondContact O-N 2.95Å; E161-N164 PolarHBondContact O-N 2.88Å; E161-E165 WeakPolarHBondContact O-CB 3.49Å; E161-E165 VanDerWaalsContact O-CG 3.29Å; E161-E165 WeakPolarHBondContact O-CG 3.43Å; E161-E165 PolarHBondContact O-N 3.42Å; E161-I175 WeakPolarHBondContact OE2-CD1 3.02Å; E161-R179 IonicContact OE1-CZ 3.73Å; E161-R179 IonicContact OE1-NH2 2.65Å; E161-R179 PolarHBondContact OE1-NH2 3.27Å
162	I	96.8	Very high	93.1	Very high	36 Å²	36	68.2 Å²	68.2	19%	0.185	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-36.2	178.9	-175.4	171.7	0	0	0	111.4	D159 N166 L197 L215	D159-I162 WeakPolarHBondContact O-CG2 3.38Å; D159-I162 PolarHBondContact O-N 2.88Å; I162-N166 WeakPolarHBondContact O-CB 3.36Å; I162-N166 PolarHBondContact O-N 2.87Å; I162-N166 VanDerWaalsContact O-N 3.16Å; I162-N166 PolarHBondContact O-ND2 3.03Å; I162-L197 HydrophobicContact CG2-CB 4.4Å; I162-L197 HydrophobicContact CG2-CD2 3.7Å; I162-L215 HydrophobicContact CD1-CD1 4.37Å
163	I	97.6	Very high	93.4	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-47.7	177.3	-68.8	168.1	0	0	0	110.2	L155 D159 A160 E161 N166 W167 V178 I182 L197 W200 L202 L211	L155-I163 HydrophobicContact CD1-CD1 3.71Å; L155-I163 HydrophobicContact CD2-CD1 4.25Å; D159-I163 HydrophobicContact CB-CD1 4.19Å; D159-I163 WeakPolarHBondContact O-CB 3.41Å; D159-I163 WeakPolarHBondContact O-CD1 3.48Å; D159-I163 WeakPolarHBondContact O-CG1 3.19Å; D159-I163 PolarHBondContact O-N 3.18Å; A160-I163 PolarHBondContact O-N 3.19Å; E161-I163 PolarHBondContact O-N 2.95Å; I163-N166 PolarHBondContact O-N 3.1Å; I163-W167 WeakPolarHBondContact O-CB 3.25Å; I163-W167 PolarHBondContact O-N 3.09Å; I163-V178 HydrophobicContact CB-CG1 3.93Å; I163-V178 HydrophobicContact CG2-CG1 3.53Å; I163-V178 HydrophobicContact CG2-CG2 4.37Å; I163-I182 HydrophobicContact CD1-CD1 4.12Å; I163-L197 HydrophobicContact CD1-CD2 4.16Å; I163-L197 HydrophobicContact CG1-CD2 3.96Å; I163-W200 HydrophobicContact CB-CZ2 4.49Å; I163-W200 HydrophobicContact CD1-CB 4.39Å; I163-W200 HydrophobicContact CD1-CD2 4.5Å; I163-W200 HydrophobicContact CD1-CG 4.11Å; I163-W200 HydrophobicContact CG1-CD2 3.75Å; I163-W200 HydrophobicContact CG1-CE3 4.32Å; I163-W200 HydrophobicContact CG1-CG 3.84Å; I163-W200 HydrophobicContact CG1-CZ2 4.31Å; I163-L202 HydrophobicContact CD1-CD1 4.32Å; I163-L202 HydrophobicContact CG2-CD1 3.88Å; I163-L211 HydrophobicContact CG2-CD2 4.27Å
164	N	96.6	Very high	93.6	Very high	22 Å²	22	61.1 Å²	61.1	12%	0.118	32%	0.318	C	S	.	.	H	α-helix	trans	-68.1	-41.9	-178.7	-169.9	63.3	0	0	0	112	A160 E161 N166 W167 N170 S174 I175 V178	A160-N164 WeakPolarHBondContact O-CB 3.27Å; A160-N164 PolarHBondContact O-N 2.97Å; E161-N164 PolarHBondContact O-N 2.88Å; N164-N166 PolarHBondContact O-N 2.95Å; N164-W167 PolarHBondContact O-N 3.34Å; N164-W167 VanDerWaalsContact O-N 3.16Å; N164-N170 VanDerWaalsContact O-CB 3.24Å; N164-N170 WeakPolarHBondContact O-CB 3.35Å; N164-N170 PolarHBondContact O-ND2 2.9Å; N164-S174 PolarHBondContact ND2-OG 3.07Å; N164-S174 WeakPolarHBondContact OD1-CB 3.42Å; N164-S174 PolarHBondContact OD1-OG 2.92Å; N164-I175 HydrophobicContact CB-CB 4.39Å; N164-I175 HydrophobicContact CB-CD1 3.58Å; N164-I175 PolarHBondContact OD1-N 3.29Å; N164-V178 HydrophobicContact CB-CG2 4.16Å
165	E	96.2	Very high	93.7	Very high	135 Å²	135	57.4 Å²	57.4	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-57.2	-37.2	174.7	-75.4	175.4	177.1	0	0	112.3	E161 N170	E161-E165 WeakPolarHBondContact O-CB 3.49Å; E161-E165 VanDerWaalsContact O-CG 3.29Å; E161-E165 WeakPolarHBondContact O-CG 3.43Å; E161-E165 PolarHBondContact O-N 3.42Å; E165-N170 PolarHBondContact O-ND2 2.93Å
166	N	95.6	Very high	93.5	Very high	61 Å²	61	58.8 Å²	58.8	33%	0.326	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	0.2	-178.8	-73.4	-91.5	0	0	0	113.6	I162 I163 N164 P168 W200	I162-N166 WeakPolarHBondContact O-CB 3.36Å; I162-N166 PolarHBondContact O-N 2.87Å; I162-N166 VanDerWaalsContact O-N 3.16Å; I162-N166 PolarHBondContact O-ND2 3.03Å; I163-N166 PolarHBondContact O-N 3.1Å; N164-N166 PolarHBondContact O-N 2.95Å; N166-P168 WeakPolarHBondContact O-CD 3.41Å; N166-W200 HydrophobicContact CB-CH2 3.76Å; N166-W200 HydrophobicContact CB-CZ2 3.88Å
167	W	93.4	Very high	93.4	Very high	44 Å²	44	56.2 Å²	56.2	17%	0.167	29%	0.293	C	S	.	.			trans	-80.7	119.3	179.4	-174.6	37.8	0	0	0	110.3	I163 N164 H169 N170 F177 L211	I163-W167 WeakPolarHBondContact O-CB 3.25Å; I163-W167 PolarHBondContact O-N 3.09Å; N164-W167 PolarHBondContact O-N 3.34Å; N164-W167 VanDerWaalsContact O-N 3.16Å; W167-H169 HydrophobicContact CD2-CB 4.14Å; W167-H169 HydrophobicContact CH2-CB 4.2Å; W167-H169 HydrophobicContact CZ2-CB 3.71Å; W167-H169 AromaticContact NE1-CD2 3.68Å; W167-H169 PolarHBondContact O-N 3.15Å; W167-N170 HydrophobicContact CB-CB 4.36Å; W167-N170 HydrophobicContact CE3-CB 4.28Å; W167-N170 WeakPolarHBondContact O-CB 3.24Å; W167-N170 PolarHBondContact O-N 3.45Å; W167-F177 HydrophobicContact CH2-CD1 4.4Å; W167-L211 HydrophobicContact CD2-CD2 4.47Å; W167-L211 HydrophobicContact CZ2-CD1 4.49Å
168	P	88.7	Confident	93.4	Very high	104 Å²	104	53.1 Å²	53.1	68%	0.675	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.6	-176.8	-25.4	35.8	0	0	0	115.1	N166	N166-P168 WeakPolarHBondContact O-CD 3.41Å
169	H	86.3	Confident	93.4	Very high	101 Å²	101	50.1 Å²	50.1	47%	0.468	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	18.4	179.3	-51.8	-70.8	0	0	0	112.2	W167	W167-H169 HydrophobicContact CD2-CB 4.14Å; W167-H169 HydrophobicContact CH2-CB 4.2Å; W167-H169 HydrophobicContact CZ2-CB 3.71Å; W167-H169 AromaticContact NE1-CD2 3.68Å; W167-H169 PolarHBondContact O-N 3.15Å
170	N	89.8	Confident	93.3	Very high	74 Å²	74	50.8 Å²	50.8	40%	0.396	27%	0.265	S	S	.	.			trans	-60.6	146.1	175.2	73.6	14.2	0	0	0	111.3	N164 E165 W167	N164-N170 VanDerWaalsContact O-CB 3.24Å; N164-N170 WeakPolarHBondContact O-CB 3.35Å; N164-N170 PolarHBondContact O-ND2 2.9Å; E165-N170 PolarHBondContact O-ND2 2.93Å; W167-N170 HydrophobicContact CB-CB 4.36Å; W167-N170 HydrophobicContact CE3-CB 4.28Å; W167-N170 WeakPolarHBondContact O-CB 3.24Å; W167-N170 PolarHBondContact O-N 3.45Å
171	K	88	Confident	93.2	Very high	78 Å²	78	50.8 Å²	50.8	34%	0.339	27%	0.265	S	S	.	.			trans	-156.4	167.2	179.7	62.6	178.7	179.1	176.3	0	109.9	M75 D105 G173 S174	M75-K171 HydrophobicContact SD-CD 4.38Å; M75-K171 WeakPolarHBondContact SD-CE 3.41Å; M75-K171 HydrophobicContact SD-CG 4.24Å; D105-K171 IonicContact OD1-NZ 2.95Å; D105-K171 PolarHBondContact OD1-NZ 3.25Å; D105-K171 WeakPolarHBondContact OD2-CE 3.4Å; D105-K171 IonicContact OD2-NZ 2.6Å; D105-K171 PolarHBondContact OD2-NZ 3.5Å; K171-G173 PolarHBondContact O-N 3.39Å; K171-S174 PolarHBondContact N-OG 3.18Å; K171-S174 VanDerWaalsContact O-CB 3.26Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.98Å; K171-S174 PolarHBondContact O-OG 2.95Å
172	P	87.1	Confident	93.3	Very high	118 Å²	118	47.4 Å²	47.4	77%	0.766	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	130.1	174.5	-28.4	36.8	0	0	0	111.7	S174	P172-S174 VanDerWaalsContact C-N 3.33Å; P172-S174 PolarHBondContact O-N 3.18Å
173	G	86.1	Confident	93.3	Very high	16 Å²	16	50.8 Å²	50.8	17%	0.165	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-11.3	-177.4	0	0	0	0	0	116.7	T73 K171 I175 D176	T73-G173 WeakPolarHBondContact O-CA 3.45Å; T73-G173 PolarHBondContact OG1-O 2.8Å; K171-G173 PolarHBondContact O-N 3.39Å; G173-I175 PolarHBondContact O-N 3.47Å; G173-D176 PolarHBondContact O-N 2.89Å
174	S	91.7	Very high	93.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-27.8	-179.1	51.5	0	0	0	0	114.7	N164 K171 P172 D176 F177 V178	N164-S174 PolarHBondContact ND2-OG 3.07Å; N164-S174 WeakPolarHBondContact OD1-CB 3.42Å; N164-S174 PolarHBondContact OD1-OG 2.92Å; K171-S174 PolarHBondContact N-OG 3.18Å; K171-S174 VanDerWaalsContact O-CB 3.26Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.98Å; K171-S174 PolarHBondContact O-OG 2.95Å; P172-S174 VanDerWaalsContact C-N 3.33Å; P172-S174 PolarHBondContact O-N 3.18Å; S174-D176 VanDerWaalsContact C-N 3.27Å; S174-D176 PolarHBondContact O-N 3.2Å; S174-F177 WeakPolarHBondContact O-CB 3.47Å; S174-F177 PolarHBondContact O-N 2.99Å; S174-F177 VanDerWaalsContact O-N 3.15Å; S174-V178 PolarHBondContact O-N 3.39Å; S174-V178 VanDerWaalsContact O-N 3.09Å
175	I	94.7	Very high	93.2	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.128	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-38.3	177.6	-175.9	63.3	0	0	0	112.2	A160 E161 N164 G173 F177 V178 R179	A160-I175 HydrophobicContact CB-CD1 3.59Å; A160-I175 WeakPolarHBondContact O-CD1 3.19Å; E161-I175 WeakPolarHBondContact OE2-CD1 3.02Å; N164-I175 HydrophobicContact CB-CB 4.39Å; N164-I175 HydrophobicContact CB-CD1 3.58Å; N164-I175 PolarHBondContact OD1-N 3.29Å; G173-I175 PolarHBondContact O-N 3.47Å; I175-F177 VanDerWaalsContact C-N 3.27Å; I175-F177 PolarHBondContact O-N 3.44Å; I175-V178 PolarHBondContact O-N 2.78Å; I175-V178 VanDerWaalsContact O-N 3.15Å; I175-R179 HydrophobicContact CG1-CG 4.46Å; I175-R179 VanDerWaalsContact CG1-CZ 3.48Å; I175-R179 WeakPolarHBondContact O-CG 3.46Å; I175-R179 PolarHBondContact O-N 2.96Å
176	D	93.3	Very high	93.3	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-70.9	-29.3	-178.4	-62.4	-36.5	0	0	0	111.9	T73 G173 S174 R179 S180	T73-D176 VanDerWaalsContact CB-OD2 3.29Å; T73-D176 WeakPolarHBondContact CB-OD2 3.49Å; T73-D176 WeakPolarHBondContact CG2-OD2 3.48Å; T73-D176 PolarHBondContact OG1-OD2 3.44Å; G173-D176 PolarHBondContact O-N 2.89Å; S174-D176 VanDerWaalsContact C-N 3.27Å; S174-D176 PolarHBondContact O-N 3.2Å; D176-R179 IonicContact OD1-NH1 2.84Å; D176-R179 PolarHBondContact OD1-NH1 2.95Å; D176-S180 WeakPolarHBondContact O-CB 3.34Å; D176-S180 PolarHBondContact O-N 2.94Å; D176-S180 PolarHBondContact O-OG 3.22Å
177	F	94.1	Very high	93.3	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.053	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-46.3	169.3	176.8	-117.9	0	0	0	111.3	M75 H77 F107 W167 S174 I175 R179 S180 L181 P205	M75-F177 HydrophobicContact CE-CB 3.02Å; M75-F177 HydrophobicContact CE-CD1 3.44Å; M75-F177 VanDerWaalsContact CE-CD1 3.44Å; M75-F177 HydrophobicContact CE-CD2 4.19Å; M75-F177 HydrophobicContact CE-CE1 4.39Å; M75-F177 HydrophobicContact CE-CG 3.3Å; H77-F177 AromaticContact CE1-CD2 3.53Å; H77-F177 AromaticContact CE1-CE2 3.38Å; H77-F177 WeakPolarHBondContact CE1-CE2 3.46Å; H77-F177 AromaticContact CE1-CG 3.98Å; H77-F177 AromaticContact CE1-CZ 3.67Å; H77-F177 AromaticContact ND1-CE2 3.81Å; F107-F177 HydrophobicContact CE2-CE1 4.16Å; F107-F177 AromaticContact CE2-CZ 3.79Å; F107-F177 HydrophobicContact CE2-CZ 3.79Å; F107-F177 HydrophobicContact CZ-CE1 4.34Å; F107-F177 AromaticContact CZ-CZ 3.82Å; F107-F177 HydrophobicContact CZ-CZ 3.82Å; W167-F177 HydrophobicContact CH2-CD1 4.4Å; S174-F177 WeakPolarHBondContact O-CB 3.47Å; S174-F177 PolarHBondContact O-N 2.99Å; S174-F177 VanDerWaalsContact O-N 3.15Å; I175-F177 VanDerWaalsContact C-N 3.27Å; I175-F177 PolarHBondContact O-N 3.44Å; F177-R179 VanDerWaalsContact C-N 3.32Å; F177-R179 PolarHBondContact O-N 3.18Å; F177-S180 WeakPolarHBondContact O-CA 3.34Å; F177-S180 WeakPolarHBondContact O-CB 3.39Å; F177-S180 PolarHBondContact O-N 3.11Å; F177-S180 VanDerWaalsContact O-N 3.07Å; F177-L181 HydrophobicContact CD1-CD1 4.32Å; F177-L181 HydrophobicContact CD2-CD2 4.35Å; F177-L181 HydrophobicContact CD2-CG 4.46Å; F177-L181 HydrophobicContact CE1-CD1 3.82Å; F177-L181 HydrophobicContact CE1-CG 4.3Å; F177-L181 HydrophobicContact CE2-CD1 4.49Å; F177-L181 HydrophobicContact CE2-CD2 3.72Å; F177-L181 HydrophobicContact CE2-CG 4.17Å; F177-L181 HydrophobicContact CZ-CD1 3.92Å; F177-L181 HydrophobicContact CZ-CD2 3.82Å; F177-L181 HydrophobicContact CZ-CG 4.1Å; F177-L181 WeakPolarHBondContact O-CG 3.37Å; F177-L181 PolarHBondContact O-N 3.36Å; F177-P205 HydrophobicContact CE2-CG 3.63Å; F177-P205 HydrophobicContact CZ-CG 3.91Å
178	V	96.5	Very high	93.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-46.2	175.1	179.2	0	0	0	0	110.9	A160 I163 N164 S174 I175 S180 L181 I182 L211	A160-V178 HydrophobicContact CB-CB 4.29Å; A160-V178 HydrophobicContact CB-CG1 3.78Å; I163-V178 HydrophobicContact CB-CG1 3.93Å; I163-V178 HydrophobicContact CG2-CG1 3.53Å; I163-V178 HydrophobicContact CG2-CG2 4.37Å; N164-V178 HydrophobicContact CB-CG2 4.16Å; S174-V178 PolarHBondContact O-N 3.39Å; S174-V178 VanDerWaalsContact O-N 3.09Å; I175-V178 PolarHBondContact O-N 2.78Å; I175-V178 VanDerWaalsContact O-N 3.15Å; V178-S180 VanDerWaalsContact C-N 3.29Å; V178-S180 PolarHBondContact O-N 2.78Å; V178-L181 WeakPolarHBondContact O-CB 3.17Å; V178-L181 PolarHBondContact O-N 2.83Å; V178-L181 VanDerWaalsContact O-N 3.11Å; V178-I182 HydrophobicContact CG1-CD1 4.28Å; V178-I182 WeakPolarHBondContact O-CG1 3.36Å; V178-I182 PolarHBondContact O-N 2.86Å; V178-L211 HydrophobicContact CG2-CD2 4.13Å
179	R	96.4	Very high	93.8	Very high	80 Å²	80	37.2 Å²	37.2	30%	0.302	19%	0.191	S	C	.	.	H	α-helix	trans	-57.9	-41.3	174.6	-69.4	176.2	-178.1	141.8	-4.3	111.9	I157 A160 E161 I175 D176 F177 I182 K183	I157-R179 HydrophobicContact CG2-CG 4.14Å; A160-R179 HydrophobicContact CB-CB 4.46Å; A160-R179 HydrophobicContact CB-CG 3.48Å; A160-R179 VanDerWaalsContact CB-CG 3.48Å; E161-R179 IonicContact OE1-CZ 3.73Å; E161-R179 IonicContact OE1-NH2 2.65Å; E161-R179 PolarHBondContact OE1-NH2 3.27Å; I175-R179 HydrophobicContact CG1-CG 4.46Å; I175-R179 VanDerWaalsContact CG1-CZ 3.48Å; I175-R179 WeakPolarHBondContact O-CG 3.46Å; I175-R179 PolarHBondContact O-N 2.96Å; D176-R179 IonicContact OD1-NH1 2.84Å; D176-R179 PolarHBondContact OD1-NH1 2.95Å; F177-R179 VanDerWaalsContact C-N 3.32Å; F177-R179 PolarHBondContact O-N 3.18Å; R179-I182 PolarHBondContact O-N 3.15Å; R179-K183 WeakPolarHBondContact O-CB 3.47Å; R179-K183 PolarHBondContact O-N 3Å
180	S	95.3	Very high	94.1	Very high	32 Å²	32	32.8 Å²	32.8	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-40.8	175.6	-61.2	0	0	0	0	112	D176 F177 V178 I182 K183 Y184	D176-S180 WeakPolarHBondContact O-CB 3.34Å; D176-S180 PolarHBondContact O-N 2.94Å; D176-S180 PolarHBondContact O-OG 3.22Å; F177-S180 WeakPolarHBondContact O-CA 3.34Å; F177-S180 WeakPolarHBondContact O-CB 3.39Å; F177-S180 PolarHBondContact O-N 3.11Å; F177-S180 VanDerWaalsContact O-N 3.07Å; V178-S180 VanDerWaalsContact C-N 3.29Å; V178-S180 PolarHBondContact O-N 2.78Å; S180-I182 VanDerWaalsContact C-N 3.3Å; S180-I182 PolarHBondContact O-N 3.44Å; S180-K183 PolarHBondContact O-N 3.12Å; S180-Y184 WeakPolarHBondContact O-CB 3.46Å; S180-Y184 WeakPolarHBondContact O-CD2 3.21Å; S180-Y184 PolarHBondContact O-N 2.83Å
181	L	96.9	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-32.7	175.1	-59.5	-171.9	0	0	0	112.6	W41 F177 V178 N185 L202 L204 P205 L211	W41-L181 HydrophobicContact CH2-CD2 3.95Å; W41-L181 HydrophobicContact CZ2-CD2 4.06Å; F177-L181 HydrophobicContact CD1-CD1 4.32Å; F177-L181 HydrophobicContact CD2-CD2 4.35Å; F177-L181 HydrophobicContact CD2-CG 4.46Å; F177-L181 HydrophobicContact CE1-CD1 3.82Å; F177-L181 HydrophobicContact CE1-CG 4.3Å; F177-L181 HydrophobicContact CE2-CD1 4.49Å; F177-L181 HydrophobicContact CE2-CD2 3.72Å; F177-L181 HydrophobicContact CE2-CG 4.17Å; F177-L181 HydrophobicContact CZ-CD1 3.92Å; F177-L181 HydrophobicContact CZ-CD2 3.82Å; F177-L181 HydrophobicContact CZ-CG 4.1Å; F177-L181 WeakPolarHBondContact O-CG 3.37Å; F177-L181 PolarHBondContact O-N 3.36Å; V178-L181 WeakPolarHBondContact O-CB 3.17Å; V178-L181 PolarHBondContact O-N 2.83Å; V178-L181 VanDerWaalsContact O-N 3.11Å; L181-N185 WeakPolarHBondContact O-CB 3.38Å; L181-N185 PolarHBondContact O-N 2.91Å; L181-L202 HydrophobicContact CB-CD2 3.88Å; L181-L202 HydrophobicContact CD1-CB 4.43Å; L181-L204 HydrophobicContact CD1-CD2 4.03Å; L181-P205 HydrophobicContact CD2-CG 4.06Å; L181-L211 HydrophobicContact CD1-CD1 4.36Å; L181-L211 HydrophobicContact CD1-CD2 4.2Å
182	I	97.9	Very high	93.7	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.062	16%	0.158	C	C	.	.	H	α-helix	trans	-74	-43.2	174.5	-63.8	172.7	0	0	0	110.6	L155 T156 I157 A160 I163 V178 R179 S180 N187 L202	L155-I182 HydrophobicContact CB-CD1 4.28Å; L155-I182 HydrophobicContact CB-CG1 4.29Å; L155-I182 HydrophobicContact CB-CG2 4.09Å; L155-I182 HydrophobicContact CD1-CD1 4.35Å; L155-I182 HydrophobicContact CD1-CG1 4.12Å; T156-I182 WeakPolarHBondContact O-CD1 3.36Å; I157-I182 HydrophobicContact CD1-CB 4.03Å; I157-I182 HydrophobicContact CD1-CG2 3.82Å; I157-I182 HydrophobicContact CG1-CG2 4.48Å; A160-I182 HydrophobicContact CB-CD1 3.89Å; I163-I182 HydrophobicContact CD1-CD1 4.12Å; V178-I182 HydrophobicContact CG1-CD1 4.28Å; V178-I182 WeakPolarHBondContact O-CG1 3.36Å; V178-I182 PolarHBondContact O-N 2.86Å; R179-I182 PolarHBondContact O-N 3.15Å; S180-I182 VanDerWaalsContact C-N 3.3Å; S180-I182 PolarHBondContact O-N 3.44Å; I182-N187 PolarHBondContact O-ND2 2.73Å; I182-L202 HydrophobicContact CG1-CD2 3.53Å
183	K	96.6	Very high	93.2	Very high	107 Å²	107	33 Å²	33	47%	0.465	17%	0.166	S	C	.	.	H	α-helix	trans	-67.2	-44.3	-175.8	-173.8	177.9	170.2	-160.7	0	112.9	D45 I157 R179 S180	D45-K183 IonicContact OD2-NZ 3.22Å; D45-K183 PolarHBondContact OD2-NZ 2.63Å; I157-K183 HydrophobicContact CD1-CB 3.97Å; R179-K183 WeakPolarHBondContact O-CB 3.47Å; R179-K183 PolarHBondContact O-N 3Å; S180-K183 PolarHBondContact O-N 3.12Å
184	Y	96.3	Very high	93	Very high	23 Å²	23	41.5 Å²	41.5	9%	0.09	20%	0.198	C	C	.	.	H	α-helix	trans	-105.4	-8.3	-165.8	-54.8	-54.6	0	0	0	114.7	W41 I44 D45 L48 S180	W41-Y184 VanDerWaalsContact CD1-CB 3.45Å; W41-Y184 AromaticContact CD2-CD2 3.89Å; W41-Y184 HydrophobicContact CD2-CD2 3.89Å; W41-Y184 HydrophobicContact CD2-CG 4.04Å; W41-Y184 VanDerWaalsContact CE2-CB 3.43Å; W41-Y184 AromaticContact CE3-CD2 3.89Å; W41-Y184 HydrophobicContact CE3-CD2 3.89Å; W41-Y184 HydrophobicContact CE3-CG 4.49Å; W41-Y184 HydrophobicContact CG-CD2 4.4Å; W41-Y184 HydrophobicContact CG-CG 4.12Å; W41-Y184 HydrophobicContact CH2-CD2 4.36Å; W41-Y184 HydrophobicContact CZ2-CD2 4.37Å; W41-Y184 HydrophobicContact CZ3-CD2 4.14Å; W41-Y184 PolarHBondContact NE1-O 2.91Å; I44-Y184 HydrophobicContact CB-CD1 4.1Å; I44-Y184 HydrophobicContact CB-CE1 4.42Å; I44-Y184 HydrophobicContact CD1-CD1 4.28Å; I44-Y184 HydrophobicContact CG2-CD1 3.77Å; I44-Y184 HydrophobicContact CG2-CE1 3.91Å; D45-Y184 HydrophobicContact CB-CE1 3.79Å; D45-Y184 PolarHBondContact OD2-OH 3.47Å; L48-Y184 HydrophobicContact CD1-CE2 4.48Å; S180-Y184 WeakPolarHBondContact O-CB 3.46Å; S180-Y184 WeakPolarHBondContact O-CD2 3.21Å; S180-Y184 PolarHBondContact O-N 2.83Å
185	N	97.4	Very high	92.6	Very high	13 Å²	13	44 Å²	44	7%	0.07	23%	0.225	C	C	.	.	S	Bend	trans	-130.2	154.1	-167.3	-93.9	-1.9	0	0	0	112.4	N37 W41 L181 N187 R203 L204	N37-N185 PolarHBondContact ND2-OD1 2.97Å; N37-N185 PolarHBondContact OD1-OD1 3.17Å; W41-N185 PolarHBondContact NE1-OD1 3.33Å; L181-N185 WeakPolarHBondContact O-CB 3.38Å; L181-N185 PolarHBondContact O-N 2.91Å; N185-N187 PolarHBondContact O-N 2.88Å; N185-N187 PolarHBondContact O-ND2 2.84Å; N185-R203 HydrophobicContact CB-CB 4.05Å; N185-R203 PolarHBondContact ND2-O 2.97Å; N185-L204 PolarHBondContact ND2-O 2.84Å
186	I	96.4	Very high	92.4	Very high	39 Å²	39	48.3 Å²	48.3	20%	0.2	24%	0.243	C	C	.	.			trans	-57.5	131.1	167.5	-60.3	171.4	0	0	0	107.9	R203 M231 K234 I235 A238	I186-R203 WeakPolarHBondContact O-CB 3.22Å; I186-R203 PolarHBondContact O-N 2.81Å; I186-M231 HydrophobicContact CG2-CE 4.26Å; I186-M231 HydrophobicContact CG2-SD 3.98Å; I186-M231 WeakPolarHBondContact O-CE 3.4Å; I186-K234 HydrophobicContact CD1-CB 4.42Å; I186-K234 HydrophobicContact CG2-CB 3.85Å; I186-K234 HydrophobicContact CG2-CD 4.1Å; I186-I235 HydrophobicContact CD1-CG1 4.3Å; I186-A238 HydrophobicContact CD1-CB 4.19Å
187	N	97.5	Very high	92.4	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.233	C	C	.	.			trans	-152	156	179.7	65.2	72.3	0	0	0	109.7	H154 L155 I182 N185 L202	H154-N187 PolarHBondContact ND1-O 3.22Å; H154-N187 VanDerWaalsContact ND1-O 3.17Å; L155-N187 WeakPolarHBondContact CB-OD1 3.21Å; L155-N187 HydrophobicContact CD1-CB 3.96Å; L155-N187 HydrophobicContact CG-CB 4.47Å; L155-N187 WeakPolarHBondContact CG-OD1 3.43Å; L155-N187 PolarHBondContact N-OD1 2.88Å; I182-N187 PolarHBondContact O-ND2 2.73Å; N185-N187 PolarHBondContact O-N 2.88Å; N185-N187 PolarHBondContact O-ND2 2.84Å; N187-L202 HydrophobicContact CB-CD2 4Å; N187-L202 HydrophobicContact CB-CG 4.49Å
188	L	96.9	Very high	92.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145	178.1	-64.8	175.2	0	0	0	111.9	L152 Q153 W200 C201 L227 S230 M231 K234	L152-L188 HydrophobicContact CB-CB 4.41Å; L152-L188 HydrophobicContact CB-CD1 4.31Å; L152-L188 HydrophobicContact CB-CD2 4.32Å; L152-L188 HydrophobicContact CD1-CD1 4.44Å; Q153-L188 WeakPolarHBondContact O-CA 3.37Å; Q153-L188 WeakPolarHBondContact O-CD2 3.3Å; L188-W200 CarbonylContact O-C 3.53Å; L188-W200 WeakPolarHBondContact O-CA 3.43Å; L188-C201 PolarHBondContact N-O 2.77Å; L188-C201 PolarHBondContact O-N 2.73Å; L188-L227 HydrophobicContact CB-CD2 3.85Å; L188-S230 VanDerWaalsContact CD1-CB 3.44Å; L188-M231 HydrophobicContact CB-CG 4.47Å; L188-M231 HydrophobicContact CB-SD 4.12Å; L188-M231 HydrophobicContact CD1-CG 3.96Å; L188-M231 HydrophobicContact CD1-SD 3.91Å; L188-M231 HydrophobicContact CG-CG 4.33Å; L188-M231 HydrophobicContact CG-SD 3.74Å; L188-K234 HydrophobicContact CD1-CD 4.18Å; L188-K234 HydrophobicContact CD2-CD 4.01Å; L188-K234 HydrophobicContact CG-CD 4.37Å
189	G	95.5	Very high	92.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.6	172.5	0	0	0	0	0	112.2	Q153 A199	Q153-G189 PolarHBondContact N-O 2.9Å; Q153-G189 PolarHBondContact O-N 3.41Å; G189-A199 CarbonylContact C-O 3.54Å; G189-A199 WeakPolarHBondContact CA-O 3.4Å
190	A	91.3	Very high	92.4	Very high	8 Å²	8	42.6 Å²	42.6	7%	0.066	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.4	165.7	0	0	0	0	0	108.6	L152 V198 A199 L223	L152-A190 HydrophobicContact CD2-CB 4.17Å; A190-V198 VanDerWaalsContact O-CG2 3.31Å; A190-V198 WeakPolarHBondContact O-CG2 3.5Å; A190-V198 PolarHBondContact O-N 3.43Å; A190-A199 HydrophobicContact CB-CB 4.16Å; A190-A199 PolarHBondContact N-O 2.73Å; A190-A199 PolarHBondContact O-N 2.99Å; A190-L223 HydrophobicContact CB-CD2 4.36Å
191	Y	88.2	Confident	92.5	Very high	57 Å²	57	41.1 Å²	41.1	22%	0.224	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.2	-176.8	-58.8	-98.9	0	0	0	109.8	Q153 D159 G195 K196 L197	Q153-Y191 HydrophobicContact CB-CD2 4.32Å; Q153-Y191 HydrophobicContact CB-CE2 4.06Å; D159-Y191 PolarHBondContact OD2-OH 2.92Å; Y191-G195 WeakPolarHBondContact CD1-O 3.27Å; Y191-K196 CarbonylContact C-O 3.58Å; Y191-K196 WeakPolarHBondContact CA-O 3.33Å; Y191-L197 HydrophobicContact CD1-CB 4.05Å; Y191-L197 HydrophobicContact CD1-CD1 4.2Å; Y191-L197 HydrophobicContact CD2-CD1 4.45Å; Y191-L197 HydrophobicContact CE1-CB 3.84Å; Y191-L197 HydrophobicContact CE1-CD1 3.75Å; Y191-L197 HydrophobicContact CE1-CG 4.4Å; Y191-L197 HydrophobicContact CE2-CD1 4.02Å
192	D	81.2	Confident	92.5	Very high	42 Å²	42	41.1 Å²	41.1	23%	0.225	21%	0.208	C	C	.	.			trans	-78.8	177.3	172.5	72.4	10.9	0	0	0	112	K194 G195 K196 V198	D192-K194 PolarHBondContact O-N 2.99Å; D192-K194 WeakPolarHBondContact OD1-CA 3.12Å; D192-K194 WeakPolarHBondContact OD1-CB 3.43Å; D192-K194 PolarHBondContact OD1-N 2.85Å; D192-G195 PolarHBondContact O-N 3.31Å; D192-G195 PolarHBondContact OD1-N 3.11Å; D192-K196 PolarHBondContact N-O 3.02Å; D192-K196 WeakPolarHBondContact OD1-CB 3.31Å; D192-K196 PolarHBondContact OD1-N 3.35Å; D192-V198 HydrophobicContact CB-CG1 4.01Å
193	D	77.4	Confident	92.5	Very high	177 Å²	177	40.9 Å²	40.9	95%	0.947	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.7	-179.3	-58.5	-24	0	0	0	113.6
194	K	82.2	Confident	92.6	Very high	193 Å²	193	36 Å²	36	84%	0.839	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	3.5	176.3	-59	179	-179.1	177.9	0	112.1	D192 K196	D192-K194 PolarHBondContact O-N 2.99Å; D192-K194 WeakPolarHBondContact OD1-CA 3.12Å; D192-K194 WeakPolarHBondContact OD1-CB 3.43Å; D192-K194 PolarHBondContact OD1-N 2.85Å; K194-K196 VanDerWaalsContact C-N 3.32Å
195	G	83.4	Confident	92.6	Very high	54 Å²	54	35 Å²	35	56%	0.557	18%	0.181	S	C	*	.	S	Bend	trans	75.9	16.2	-177.3	0	0	0	0	0	113.8	Y191 D192	Y191-G195 WeakPolarHBondContact CD1-O 3.27Å; D192-G195 PolarHBondContact O-N 3.31Å; D192-G195 PolarHBondContact OD1-N 3.11Å
196	K	89.1	Confident	92.5	Very high	116 Å²	116	34.3 Å²	34.3	50%	0.504	18%	0.178	S	C	.	.			trans	-85.5	133.7	177.2	-176.2	-178.3	176.8	176.3	0	110.3	Y191 D192 K194 V198	Y191-K196 CarbonylContact C-O 3.58Å; Y191-K196 WeakPolarHBondContact CA-O 3.33Å; D192-K196 PolarHBondContact N-O 3.02Å; D192-K196 WeakPolarHBondContact OD1-CB 3.31Å; D192-K196 PolarHBondContact OD1-N 3.35Å; K194-K196 VanDerWaalsContact C-N 3.32Å; K196-V198 PolarHBondContact O-N 2.98Å
197	L	94.4	Very high	92.5	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.7	172.1	-173	73.1	0	0	0	110.7	L155 D159 I162 I163 Y191 A199 W200	L155-L197 HydrophobicContact CD2-CD1 3.65Å; L155-L197 HydrophobicContact CD2-CD2 4.03Å; D159-L197 HydrophobicContact CB-CD2 4.01Å; I162-L197 HydrophobicContact CG2-CB 4.4Å; I162-L197 HydrophobicContact CG2-CD2 3.7Å; I163-L197 HydrophobicContact CD1-CD2 4.16Å; I163-L197 HydrophobicContact CG1-CD2 3.96Å; Y191-L197 HydrophobicContact CD1-CB 4.05Å; Y191-L197 HydrophobicContact CD1-CD1 4.2Å; Y191-L197 HydrophobicContact CD2-CD1 4.45Å; Y191-L197 HydrophobicContact CE1-CB 3.84Å; Y191-L197 HydrophobicContact CE1-CD1 3.75Å; Y191-L197 HydrophobicContact CE1-CG 4.4Å; Y191-L197 HydrophobicContact CE2-CD1 4.02Å; L197-A199 WeakPolarHBondContact CD1-O 3.16Å; L197-W200 HydrophobicContact CD2-CB 4.4Å; L197-W200 HydrophobicContact CD2-CD2 4.24Å; L197-W200 HydrophobicContact CD2-CE3 3.65Å; L197-W200 HydrophobicContact CD2-CZ3 4.28Å; L197-W200 HydrophobicContact CG-CE3 3.94Å
198	V	93	Very high	92.5	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-16.5	-177.2	-64.9	0	0	0	0	114.2	A190 D192 K196 L215 H218 L223	A190-V198 VanDerWaalsContact O-CG2 3.31Å; A190-V198 WeakPolarHBondContact O-CG2 3.5Å; A190-V198 PolarHBondContact O-N 3.43Å; D192-V198 HydrophobicContact CB-CG1 4.01Å; K196-V198 PolarHBondContact O-N 2.98Å; V198-L215 HydrophobicContact CG1-CD1 4.49Å; V198-L215 WeakPolarHBondContact O-CG 3.44Å; V198-L215 PolarHBondContact O-N 3.33Å; V198-H218 HydrophobicContact CB-CB 4.21Å; V198-L223 HydrophobicContact CG2-CD1 4.32Å
199	A	95.2	Very high	92.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	154.3	170.6	0	0	0	0	0	110.8	G189 A190 L197 Q213 V214 L223 L227	G189-A199 CarbonylContact C-O 3.54Å; G189-A199 WeakPolarHBondContact CA-O 3.4Å; A190-A199 HydrophobicContact CB-CB 4.16Å; A190-A199 PolarHBondContact N-O 2.73Å; A190-A199 PolarHBondContact O-N 2.99Å; L197-A199 WeakPolarHBondContact CD1-O 3.16Å; A199-Q213 CarbonylContact C-O 3.53Å; A199-Q213 VanDerWaalsContact CA-O 3.26Å; A199-Q213 WeakPolarHBondContact CA-O 3.31Å; A199-Q213 WeakPolarHBondContact CB-O 3.35Å; A199-V214 HydrophobicContact CB-CB 4.17Å; A199-V214 HydrophobicContact CB-CG1 4.16Å; A199-V214 HydrophobicContact CB-CG2 3.84Å; A199-L223 HydrophobicContact CB-CB 4.15Å; A199-L223 HydrophobicContact CB-CD1 4.25Å; A199-L227 HydrophobicContact CB-CD1 3.55Å
200	W	97.7	Very high	92.5	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	160.1	-178.8	56.7	89.6	0	0	0	112.2	L155 I163 N166 L188 L197 L211 L212 Q213 L215	L155-W200 HydrophobicContact CD1-CB 4.35Å; L155-W200 HydrophobicContact CD2-CB 4.14Å; I163-W200 HydrophobicContact CB-CZ2 4.49Å; I163-W200 HydrophobicContact CD1-CB 4.39Å; I163-W200 HydrophobicContact CD1-CD2 4.5Å; I163-W200 HydrophobicContact CD1-CG 4.11Å; I163-W200 HydrophobicContact CG1-CD2 3.75Å; I163-W200 HydrophobicContact CG1-CE3 4.32Å; I163-W200 HydrophobicContact CG1-CG 3.84Å; I163-W200 HydrophobicContact CG1-CZ2 4.31Å; N166-W200 HydrophobicContact CB-CH2 3.76Å; N166-W200 HydrophobicContact CB-CZ2 3.88Å; L188-W200 CarbonylContact O-C 3.53Å; L188-W200 WeakPolarHBondContact O-CA 3.43Å; L197-W200 HydrophobicContact CD2-CB 4.4Å; L197-W200 HydrophobicContact CD2-CD2 4.24Å; L197-W200 HydrophobicContact CD2-CE3 3.65Å; L197-W200 HydrophobicContact CD2-CZ3 4.28Å; L197-W200 HydrophobicContact CG-CE3 3.94Å; W200-L211 PolarHBondContact NE1-O 3.25Å; W200-L212 WeakPolarHBondContact O-CA 3.14Å; W200-Q213 HydrophobicContact CD2-CB 4.27Å; W200-Q213 HydrophobicContact CH2-CB 4.23Å; W200-Q213 HydrophobicContact CH2-CG 3.95Å; W200-Q213 HydrophobicContact CZ2-CB 3.54Å; W200-Q213 HydrophobicContact CZ2-CG 3.6Å; W200-Q213 PolarHBondContact N-O 3Å; W200-Q213 PolarHBondContact O-N 3.26Å; W200-Q213 VanDerWaalsContact O-N 3.09Å; W200-L215 HydrophobicContact CH2-CD2 3.81Å; W200-L215 HydrophobicContact CZ3-CD2 3.9Å; W200-L215 HydrophobicContact CZ3-CG 4.11Å
201	C	97.9	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	130.3	167.9	-171.7	0	0	0	0	109.4	L188 L212 L227 M231	L188-C201 PolarHBondContact N-O 2.77Å; L188-C201 PolarHBondContact O-N 2.73Å; C201-L212 HydrophobicContact CB-CD1 3.75Å; C201-L227 HydrophobicContact CB-CB 4.03Å; C201-L227 HydrophobicContact CB-CD2 4.23Å; C201-M231 HydrophobicContact CB-CG 3.85Å
202	L	98	Very high	93.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	168.5	179.6	-66.3	132	0	0	0	109.7	L155 I163 L181 I182 N187 L209 G210 L211	L155-L202 HydrophobicContact CD1-CD2 3.75Å; L155-L202 HydrophobicContact CD1-CG 4.03Å; I163-L202 HydrophobicContact CD1-CD1 4.32Å; I163-L202 HydrophobicContact CG2-CD1 3.88Å; L181-L202 HydrophobicContact CB-CD2 3.88Å; L181-L202 HydrophobicContact CD1-CB 4.43Å; I182-L202 HydrophobicContact CG1-CD2 3.53Å; N187-L202 HydrophobicContact CB-CD2 4Å; N187-L202 HydrophobicContact CB-CG 4.49Å; L202-L209 CarbonylContact O-C 3.36Å; L202-G210 PolarHBondContact N-O 2.99Å; L202-G210 PolarHBondContact O-N 2.89Å; L202-G210 VanDerWaalsContact O-O 3.04Å; L202-L211 HydrophobicContact CB-CB 4.4Å; L202-L211 HydrophobicContact CD1-CB 3.53Å; L202-L211 HydrophobicContact CD1-CD2 3.79Å; L202-L211 HydrophobicContact CD1-CG 4.3Å
203	R	97.4	Very high	93.9	Very high	7 Å²	7	34 Å²	34	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132	167.6	-171	-178.4	-168.5	-166.1	-0.4	109.4	N185 I186 G207 S208 M231 D240	N185-R203 HydrophobicContact CB-CB 4.05Å; N185-R203 PolarHBondContact ND2-O 2.97Å; I186-R203 WeakPolarHBondContact O-CB 3.22Å; I186-R203 PolarHBondContact O-N 2.81Å; R203-G207 PolarHBondContact NE-O 2.88Å; R203-G207 PolarHBondContact NH2-O 3.1Å; R203-S208 CarbonylContact C-O 3.59Å; R203-S208 VanDerWaalsContact CA-O 3.25Å; R203-S208 WeakPolarHBondContact CA-O 3.28Å; R203-S208 WeakPolarHBondContact CG-O 3.47Å; R203-M231 HydrophobicContact CB-CE 4.15Å; R203-D240 IonicContact CZ-OD2 2.64Å; R203-D240 VanDerWaalsContact CZ-OD2 3.23Å; R203-D240 IonicContact NH1-OD2 2.94Å; R203-D240 PolarHBondContact NH1-OD2 2.97Å; R203-D240 VanDerWaalsContact NH2-CG 3.27Å; R203-D240 IonicContact NH2-OD2 3.91Å; R203-D240 PolarHBondContact NH2-OD2 3.4Å
204	L	97.2	Very high	94.7	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.031	14%	0.139	C	C	.	.			trans	-80.2	165.5	179.4	-63.5	-178.5	0	0	0	111.8	F107 L181 N185 I206 G207 S208 L211 P245	F107-L204 HydrophobicContact CE1-CB 4.45Å; F107-L204 HydrophobicContact CE1-CD1 4.44Å; F107-L204 HydrophobicContact CZ-CD2 4.29Å; L181-L204 HydrophobicContact CD1-CD2 4.03Å; N185-L204 PolarHBondContact ND2-O 2.84Å; L204-I206 HydrophobicContact CB-CG1 3.92Å; L204-I206 HydrophobicContact CD1-CD1 4.42Å; L204-I206 HydrophobicContact CD1-CG1 4.42Å; L204-I206 PolarHBondContact O-N 2.9Å; L204-G207 PolarHBondContact O-N 2.98Å; L204-S208 PolarHBondContact N-O 2.94Å; L204-L211 HydrophobicContact CD2-CD1 3.55Å; L204-P245 HydrophobicContact CD1-CG 3.88Å
205	P	96.4	Very high	95.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.9	177	-23.8	35.5	0	0	0	113.7	N37 F38 W41 Y79 F177 L181 G207	N37-P205 WeakPolarHBondContact CB-O 3.49Å; N37-P205 PolarHBondContact ND2-O 3Å; F38-P205 HydrophobicContact CE2-CB 3.8Å; F38-P205 HydrophobicContact CZ-CB 3.68Å; W41-P205 HydrophobicContact CH2-CB 4.39Å; W41-P205 HydrophobicContact CH2-CG 3.96Å; W41-P205 HydrophobicContact CZ2-CG 4.46Å; Y79-P205 HydrophobicContact CE1-CB 4.15Å; Y79-P205 WeakPolarHBondContact OH-CB 3.26Å; Y79-P205 WeakPolarHBondContact OH-CG 3.21Å; F177-P205 HydrophobicContact CE2-CG 3.63Å; F177-P205 HydrophobicContact CZ-CG 3.91Å; L181-P205 HydrophobicContact CD2-CG 4.06Å; P205-G207 PolarHBondContact O-N 2.64Å; P205-G207 VanDerWaalsContact O-N 3.13Å
206	I	96.5	Very high	95.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	13.2	173.7	60	172.4	0	0	0	113.4	P29 Q30 Y79 F107 W137 L204 S208 W270	P29-I206 HydrophobicContact CB-CD1 4.44Å; P29-I206 WeakPolarHBondContact O-CB 3.35Å; P29-I206 WeakPolarHBondContact O-CG2 3.26Å; Q30-I206 HydrophobicContact CG-CG2 4.4Å; Y79-I206 HydrophobicContact CD1-CG2 3.94Å; Y79-I206 HydrophobicContact CE1-CG2 3.89Å; F107-I206 HydrophobicContact CD1-CG2 4.06Å; F107-I206 HydrophobicContact CE1-CD1 4.5Å; F107-I206 HydrophobicContact CE1-CG1 4.4Å; F107-I206 HydrophobicContact CE1-CG2 4.43Å; W137-I206 HydrophobicContact CH2-CD1 3.56Å; W137-I206 HydrophobicContact CH2-CG1 4.13Å; W137-I206 HydrophobicContact CZ3-CD1 3.79Å; L204-I206 HydrophobicContact CB-CG1 3.92Å; L204-I206 HydrophobicContact CD1-CD1 4.42Å; L204-I206 HydrophobicContact CD1-CG1 4.42Å; L204-I206 PolarHBondContact O-N 2.9Å; I206-S208 VanDerWaalsContact C-N 3.26Å; I206-S208 WeakPolarHBondContact CG1-OG 3.34Å; I206-S208 PolarHBondContact O-N 3.4Å; I206-W270 HydrophobicContact CD1-CZ2 4.5Å
207	G	95.3	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	77.6	-2.8	174.5	0	0	0	0	0	116.1	R203 L204 P205	R203-G207 PolarHBondContact NE-O 2.88Å; R203-G207 PolarHBondContact NH2-O 3.1Å; L204-G207 PolarHBondContact O-N 2.98Å; P205-G207 PolarHBondContact O-N 2.64Å; P205-G207 VanDerWaalsContact O-N 3.13Å
208	S	97.3	Very high	94.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-90.6	164.1	-179.1	59	0	0	0	0	114.2	W137 R203 L204 I206 L243	W137-S208 VanDerWaalsContact CH2-OG 3.27Å; W137-S208 WeakPolarHBondContact CH2-OG 3.28Å; R203-S208 CarbonylContact C-O 3.59Å; R203-S208 VanDerWaalsContact CA-O 3.25Å; R203-S208 WeakPolarHBondContact CA-O 3.28Å; R203-S208 WeakPolarHBondContact CG-O 3.47Å; L204-S208 PolarHBondContact N-O 2.94Å; I206-S208 VanDerWaalsContact C-N 3.26Å; I206-S208 WeakPolarHBondContact CG1-OG 3.34Å; I206-S208 PolarHBondContact O-N 3.4Å; S208-L243 CarbonylContact C-O 3.54Å; S208-L243 VanDerWaalsContact CA-O 3.27Å; S208-L243 WeakPolarHBondContact CA-O 3.49Å; S208-L243 WeakPolarHBondContact CB-O 3.26Å
209	L	97.9	Very high	94.6	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	146.2	163.9	-68.5	79.6	0	0	0	109.2	L202 V228 M231 I235 V242 L243 A244 P245	L202-L209 CarbonylContact O-C 3.36Å; L209-V228 HydrophobicContact CD2-CB 4.39Å; L209-V228 HydrophobicContact CD2-CG1 4.14Å; L209-V228 HydrophobicContact CD2-CG2 4.29Å; L209-M231 HydrophobicContact CD2-CB 3.81Å; L209-M231 HydrophobicContact CG-CB 4.2Å; L209-I235 HydrophobicContact CD1-CD1 3.65Å; L209-I235 HydrophobicContact CG-CD1 4.11Å; L209-V242 HydrophobicContact CD1-CG1 3.86Å; L209-L243 WeakPolarHBondContact CD1-O 3.33Å; L209-L243 PolarHBondContact N-O 3.33Å; L209-A244 HydrophobicContact CB-CB 4.15Å; L209-P245 WeakPolarHBondContact O-CD 3.45Å
210	G	95.8	Very high	94	Very high	8 Å²	8	37.7 Å²	37.7	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	176.9	174.7	0	0	0	0	0	112.3	L202 L212	L202-G210 PolarHBondContact N-O 2.99Å; L202-G210 PolarHBondContact O-N 2.89Å; L202-G210 VanDerWaalsContact O-O 3.04Å; G210-L212 PolarHBondContact O-N 2.84Å
211	L	95.8	Very high	93.2	Very high	29 Å²	29	43.3 Å²	43.3	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.6	32.6	-175.8	-78.8	67.7	0	0	0	112.1	I163 W167 V178 L181 W200 L202 L204 Q213	I163-L211 HydrophobicContact CG2-CD2 4.27Å; W167-L211 HydrophobicContact CD2-CD2 4.47Å; W167-L211 HydrophobicContact CZ2-CD1 4.49Å; V178-L211 HydrophobicContact CG2-CD2 4.13Å; L181-L211 HydrophobicContact CD1-CD1 4.36Å; L181-L211 HydrophobicContact CD1-CD2 4.2Å; W200-L211 PolarHBondContact NE1-O 3.25Å; L202-L211 HydrophobicContact CB-CB 4.4Å; L202-L211 HydrophobicContact CD1-CB 3.53Å; L202-L211 HydrophobicContact CD1-CD2 3.79Å; L202-L211 HydrophobicContact CD1-CG 4.3Å; L204-L211 HydrophobicContact CD2-CD1 3.55Å; L211-Q213 PolarHBondContact O-N 3.22Å
212	L	97.1	Very high	92.7	Very high	41 Å²	41	45.3 Å²	45.3	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	121.8	176.3	174.3	70.9	0	0	0	108.7	W200 C201 G210 L227 V228 M256 F257	W200-L212 WeakPolarHBondContact O-CA 3.14Å; C201-L212 HydrophobicContact CB-CD1 3.75Å; G210-L212 PolarHBondContact O-N 2.84Å; L212-L227 HydrophobicContact CD1-CB 3.98Å; L212-L227 HydrophobicContact CD1-CD1 4.2Å; L212-V228 HydrophobicContact CD1-CG2 4.3Å; L212-V228 HydrophobicContact CD2-CG2 3.6Å; L212-M256 HydrophobicContact CD2-CE 3.7Å; L212-F257 HydrophobicContact CD2-CE2 4.26Å; L212-F257 HydrophobicContact CD2-CZ 4.46Å
213	Q	96.3	Very high	92.3	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.3	178.6	-174.2	69.8	-4.3	0	0	110.5	A199 W200 L211	A199-Q213 CarbonylContact C-O 3.53Å; A199-Q213 VanDerWaalsContact CA-O 3.26Å; A199-Q213 WeakPolarHBondContact CA-O 3.31Å; A199-Q213 WeakPolarHBondContact CB-O 3.35Å; W200-Q213 HydrophobicContact CD2-CB 4.27Å; W200-Q213 HydrophobicContact CH2-CB 4.23Å; W200-Q213 HydrophobicContact CH2-CG 3.95Å; W200-Q213 HydrophobicContact CZ2-CB 3.54Å; W200-Q213 HydrophobicContact CZ2-CG 3.6Å; W200-Q213 PolarHBondContact N-O 3Å; W200-Q213 PolarHBondContact O-N 3.26Å; W200-Q213 VanDerWaalsContact O-N 3.09Å; L211-Q213 PolarHBondContact O-N 3.22Å
214	V	94	Very high	92.1	Very high	18 Å²	18	47 Å²	47	11%	0.109	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.9	168.1	-178.1	0	0	0	0	106.3	A199 H218 K219 L223	A199-V214 HydrophobicContact CB-CB 4.17Å; A199-V214 HydrophobicContact CB-CG1 4.16Å; A199-V214 HydrophobicContact CB-CG2 3.84Å; V214-H218 HydrophobicContact CG1-CB 4.19Å; V214-H218 VanDerWaalsContact CG1-O 3.27Å; V214-H218 WeakPolarHBondContact CG1-O 3.37Å; V214-K219 HydrophobicContact CB-CG 4.25Å; V214-K219 HydrophobicContact CG1-CG 4.12Å; V214-K219 VanDerWaalsContact O-CE 3.28Å; V214-K219 WeakPolarHBondContact O-CE 3.27Å; V214-L223 HydrophobicContact CG1-CB 4.29Å; V214-L223 HydrophobicContact CG1-CD1 4.17Å; V214-L223 HydrophobicContact CG2-CB 4.11Å
215	L	91.2	Very high	91.9	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.084	25%	0.253	C	S	.	.			trans	-57	144.7	176.7	-67.5	-175.2	0	0	0	110.4	I162 V198 W200 S217 H218 K219	I162-L215 HydrophobicContact CD1-CD1 4.37Å; V198-L215 HydrophobicContact CG1-CD1 4.49Å; V198-L215 WeakPolarHBondContact O-CG 3.44Å; V198-L215 PolarHBondContact O-N 3.33Å; W200-L215 HydrophobicContact CH2-CD2 3.81Å; W200-L215 HydrophobicContact CZ3-CD2 3.9Å; W200-L215 HydrophobicContact CZ3-CG 4.11Å; L215-S217 PolarHBondContact O-N 2.71Å; L215-S217 VanDerWaalsContact O-N 3.15Å; L215-H218 CarbonylContact O-C 3.59Å; L215-H218 PolarHBondContact O-N 3.16Å; L215-K219 PolarHBondContact O-N 2.74Å
216	E	91.2	Very high	91.6	Very high	142 Å²	142	51 Å²	51	66%	0.664	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-52.4	-41.9	-176	-168	61.6	-138.6	0	0	112.3	H218 K219	E216-H218 PolarHBondContact O-N 2.62Å; E216-H218 VanDerWaalsContact O-N 3.1Å; E216-K219 PolarHBondContact O-N 3.14Å; E216-K219 WeakPolarHBondContact OE2-CD 3.48Å; E216-K219 VanDerWaalsContact OE2-CE 3.25Å; E216-K219 WeakPolarHBondContact OE2-CE 3.43Å; E216-K219 IonicContact OE2-NZ 2.78Å; E216-K219 PolarHBondContact OE2-NZ 2.75Å
217	S	87.2	Confident	91.6	Very high	94 Å²	94	51 Å²	51	66%	0.657	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-63.1	-14.4	178.3	50.2	0	0	0	0	115	L215	L215-S217 PolarHBondContact O-N 2.71Å; L215-S217 VanDerWaalsContact O-N 3.15Å
218	H	84.9	Confident	91.6	Very high	47 Å²	47	51 Å²	51	22%	0.218	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-125	12.1	-175.8	-63.7	77.5	0	0	0	112.6	V198 V214 L215 E216 L221 L223	V198-H218 HydrophobicContact CB-CB 4.21Å; V214-H218 HydrophobicContact CG1-CB 4.19Å; V214-H218 VanDerWaalsContact CG1-O 3.27Å; V214-H218 WeakPolarHBondContact CG1-O 3.37Å; L215-H218 CarbonylContact O-C 3.59Å; L215-H218 PolarHBondContact O-N 3.16Å; E216-H218 PolarHBondContact O-N 2.62Å; E216-H218 VanDerWaalsContact O-N 3.1Å; H218-L221 HydrophobicContact CB-CD1 4.34Å; H218-L223 HydrophobicContact CB-CD1 4.05Å
219	K	85.6	Confident	91.5	Very high	82 Å²	82	54.2 Å²	54.2	36%	0.357	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	161.7	174.4	-75.8	-177.1	-176.9	172.8	0	111.3	V214 L215 E216 L221	V214-K219 HydrophobicContact CB-CG 4.25Å; V214-K219 HydrophobicContact CG1-CG 4.12Å; V214-K219 VanDerWaalsContact O-CE 3.28Å; V214-K219 WeakPolarHBondContact O-CE 3.27Å; L215-K219 PolarHBondContact O-N 2.74Å; E216-K219 PolarHBondContact O-N 3.14Å; E216-K219 WeakPolarHBondContact OE2-CD 3.48Å; E216-K219 VanDerWaalsContact OE2-CE 3.25Å; E216-K219 WeakPolarHBondContact OE2-CE 3.43Å; E216-K219 IonicContact OE2-NZ 2.78Å; E216-K219 PolarHBondContact OE2-NZ 2.75Å; K219-L221 PolarHBondContact O-N 2.63Å; K219-L221 VanDerWaalsContact O-N 3.15Å
220	R	83.9	Confident	91.2	Very high	229 Å²	229	54.5 Å²	54.5	86%	0.864	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	8.3	179.1	-48.9	-59.3	-179.6	-175.5	0.1	115.7	G222	R220-G222 VanDerWaalsContact C-N 3.33Å
221	L	80.4	Confident	91.2	Very high	121 Å²	121	54.1 Å²	54.1	63%	0.634	28%	0.28	S	S	*	.	S	Bend	trans	-89.7	8.6	172	-58.8	178	0	0	0	113.8	H218 K219 L223	H218-L221 HydrophobicContact CB-CD1 4.34Å; K219-L221 PolarHBondContact O-N 2.63Å; K219-L221 VanDerWaalsContact O-N 3.15Å; L221-L223 HydrophobicContact CB-CD1 4.49Å; L221-L223 HydrophobicContact CB-CG 4.18Å; L221-L223 PolarHBondContact O-N 2.62Å
222	G	88	Confident	91.2	Very high	42 Å²	42	52.8 Å²	52.8	43%	0.433	27%	0.272	S	S	.	.	S	Bend	trans	76.5	0.2	-178	0	0	0	0	0	115.6	R220 G224 S225 L226	R220-G222 VanDerWaalsContact C-N 3.33Å; G222-G224 VanDerWaalsContact C-N 3.33Å; G222-G224 PolarHBondContact O-N 3.26Å; G222-S225 PolarHBondContact O-N 2.71Å; G222-S225 VanDerWaalsContact O-N 3.17Å; G222-L226 PolarHBondContact O-N 3.4Å
223	L	88.3	Confident	91	Very high	31 Å²	31	54.9 Å²	54.9	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-39.3	-176.7	-65.9	176.8	0	0	0	114.1	A190 V198 A199 V214 H218 L221 L226 L227	A190-L223 HydrophobicContact CB-CD2 4.36Å; V198-L223 HydrophobicContact CG2-CD1 4.32Å; A199-L223 HydrophobicContact CB-CB 4.15Å; A199-L223 HydrophobicContact CB-CD1 4.25Å; V214-L223 HydrophobicContact CG1-CB 4.29Å; V214-L223 HydrophobicContact CG1-CD1 4.17Å; V214-L223 HydrophobicContact CG2-CB 4.11Å; H218-L223 HydrophobicContact CB-CD1 4.05Å; L221-L223 HydrophobicContact CB-CD1 4.49Å; L221-L223 HydrophobicContact CB-CG 4.18Å; L221-L223 PolarHBondContact O-N 2.62Å; L223-L226 HydrophobicContact CD2-CD2 4.26Å; L223-L226 WeakPolarHBondContact O-CB 3.42Å; L223-L226 PolarHBondContact O-N 3.32Å; L223-L227 PolarHBondContact O-N 2.88Å
224	G	93.4	Very high	90.9	Very high	11 Å²	11	55.6 Å²	55.6	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-48	177.4	0	0	0	0	0	112.1	G222 L226 L227 V228	G222-G224 VanDerWaalsContact C-N 3.33Å; G222-G224 PolarHBondContact O-N 3.26Å; G224-L226 VanDerWaalsContact C-N 3.29Å; G224-L226 PolarHBondContact O-N 3.14Å; G224-L227 PolarHBondContact O-N 3.47Å; G224-V228 WeakPolarHBondContact O-CG2 3.42Å; G224-V228 PolarHBondContact O-N 3.28Å
225	S	93.7	Very high	91	Very high	36 Å²	36	54.7 Å²	54.7	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-38.9	175.7	-60.6	0	0	0	0	112	G222 V228 K229 M256	G222-S225 PolarHBondContact O-N 2.71Å; G222-S225 VanDerWaalsContact O-N 3.17Å; S225-V228 PolarHBondContact O-N 3.05Å; S225-K229 WeakPolarHBondContact O-CB 3.25Å; S225-K229 VanDerWaalsContact O-CG 3.26Å; S225-K229 WeakPolarHBondContact O-CG 2.97Å; S225-K229 PolarHBondContact O-N 3.17Å; S225-M256 WeakPolarHBondContact OG-CG 3.49Å
226	L	91	Very high	91.2	Very high	55 Å²	55	55 Å²	55	29%	0.288	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-47.3	178.6	-166.6	79.5	0	0	0	111.6	I150 L152 G222 L223 G224 S230	I150-L226 HydrophobicContact CB-CD1 4.18Å; I150-L226 HydrophobicContact CD1-CD1 3.37Å; I150-L226 HydrophobicContact CD1-CG 4.09Å; I150-L226 HydrophobicContact CG1-CD1 3.56Å; I150-L226 HydrophobicContact CG1-CG 4.48Å; I150-L226 HydrophobicContact CG2-CD1 3.47Å; I150-L226 VanDerWaalsContact CG2-CD1 3.47Å; I150-L226 HydrophobicContact CG2-CD2 4.25Å; I150-L226 HydrophobicContact CG2-CG 3.69Å; L152-L226 HydrophobicContact CD1-CD2 4.38Å; L152-L226 HydrophobicContact CD1-CG 4.31Å; L152-L226 HydrophobicContact CD2-CD2 3.87Å; L152-L226 HydrophobicContact CG-CD2 4.4Å; G222-L226 PolarHBondContact O-N 3.4Å; L223-L226 HydrophobicContact CD2-CD2 4.26Å; L223-L226 WeakPolarHBondContact O-CB 3.42Å; L223-L226 PolarHBondContact O-N 3.32Å; G224-L226 VanDerWaalsContact C-N 3.29Å; G224-L226 PolarHBondContact O-N 3.14Å; L226-S230 WeakPolarHBondContact O-CB 2.82Å; L226-S230 PolarHBondContact O-N 3.42Å; L226-S230 PolarHBondContact O-OG 3.4Å
227	L	95.1	Very high	91.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-48.3	176.6	-80.3	158.9	0	0	0	111.6	L152 L188 A199 C201 L212 L223 G224 K229 S230 M231	L152-L227 HydrophobicContact CD1-CB 4.44Å; L152-L227 HydrophobicContact CD1-CD2 3.58Å; L152-L227 HydrophobicContact CD1-CG 3.87Å; L188-L227 HydrophobicContact CB-CD2 3.85Å; A199-L227 HydrophobicContact CB-CD1 3.55Å; C201-L227 HydrophobicContact CB-CB 4.03Å; C201-L227 HydrophobicContact CB-CD2 4.23Å; L212-L227 HydrophobicContact CD1-CB 3.98Å; L212-L227 HydrophobicContact CD1-CD1 4.2Å; L223-L227 PolarHBondContact O-N 2.88Å; G224-L227 PolarHBondContact O-N 3.47Å; L227-K229 PolarHBondContact O-N 3.35Å; L227-S230 PolarHBondContact O-N 3.3Å; L227-M231 WeakPolarHBondContact O-CB 3.07Å; L227-M231 WeakPolarHBondContact O-CG 3.3Å; L227-M231 PolarHBondContact O-N 3.11Å
228	V	95.9	Very high	91.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-47.5	179.2	169.8	0	0	0	0	111.2	L209 L212 G224 S225 S230 M231 A232 M256 F257 L260 F262	L209-V228 HydrophobicContact CD2-CB 4.39Å; L209-V228 HydrophobicContact CD2-CG1 4.14Å; L209-V228 HydrophobicContact CD2-CG2 4.29Å; L212-V228 HydrophobicContact CD1-CG2 4.3Å; L212-V228 HydrophobicContact CD2-CG2 3.6Å; G224-V228 WeakPolarHBondContact O-CG2 3.42Å; G224-V228 PolarHBondContact O-N 3.28Å; S225-V228 PolarHBondContact O-N 3.05Å; V228-S230 PolarHBondContact O-N 2.85Å; V228-M231 PolarHBondContact O-N 3.07Å; V228-A232 VanDerWaalsContact O-CB 3.22Å; V228-A232 WeakPolarHBondContact O-CB 3.37Å; V228-A232 PolarHBondContact O-N 2.78Å; V228-M256 HydrophobicContact CG2-CE 3.81Å; V228-F257 HydrophobicContact CG1-CD1 4.24Å; V228-F257 HydrophobicContact CG1-CE1 3.69Å; V228-F257 HydrophobicContact CG1-CZ 4.24Å; V228-F257 HydrophobicContact CG2-CE1 4.08Å; V228-F257 HydrophobicContact CG2-CE2 4.39Å; V228-F257 HydrophobicContact CG2-CZ 3.76Å; V228-L260 HydrophobicContact CB-CD1 4.01Å; V228-L260 HydrophobicContact CG1-CD1 3.74Å; V228-F262 HydrophobicContact CG1-CE2 3.73Å; V228-F262 HydrophobicContact CG1-CZ 3.69Å
229	K	94.2	Very high	91.9	Very high	68 Å²	68	51.3 Å²	51.3	30%	0.296	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-45.7	177.3	-74	-175.8	-176.8	-171.1	0	112.1	F148 I150 S225 L227 A232 K233 L260	F148-K229 HydrophobicContact CB-CB 4Å; F148-K229 HydrophobicContact CB-CD 4.49Å; F148-K229 HydrophobicContact CB-CG 4.46Å; F148-K229 HydrophobicContact CD1-CB 4.22Å; F148-K229 HydrophobicContact CD1-CD 3.66Å; F148-K229 HydrophobicContact CD1-CG 3.74Å; F148-K229 VanDerWaalsContact CD2-CA 3.47Å; F148-K229 HydrophobicContact CD2-CB 3.54Å; F148-K229 HydrophobicContact CD2-CD 4.46Å; F148-K229 HydrophobicContact CD2-CG 3.71Å; F148-K229 WeakPolarHBondContact CD2-O 2.99Å; F148-K229 HydrophobicContact CE1-CD 3.93Å; F148-K229 HydrophobicContact CE1-CG 3.8Å; F148-K229 HydrophobicContact CE2-CB 4Å; F148-K229 HydrophobicContact CE2-CG 3.75Å; F148-K229 HydrophobicContact CG-CB 3.65Å; F148-K229 HydrophobicContact CG-CD 3.95Å; F148-K229 HydrophobicContact CG-CG 3.7Å; F148-K229 HydrophobicContact CZ-CD 4.44Å; F148-K229 HydrophobicContact CZ-CG 3.8Å; I150-K229 HydrophobicContact CD1-CB 3.83Å; I150-K229 HydrophobicContact CD1-CD 4.01Å; S225-K229 WeakPolarHBondContact O-CB 3.25Å; S225-K229 VanDerWaalsContact O-CG 3.26Å; S225-K229 WeakPolarHBondContact O-CG 2.97Å; S225-K229 PolarHBondContact O-N 3.17Å; L227-K229 PolarHBondContact O-N 3.35Å; K229-A232 PolarHBondContact O-N 3.43Å; K229-K233 PolarHBondContact O-N 3.42Å; K229-K233 VanDerWaalsContact O-N 3.1Å; K229-L260 HydrophobicContact CD-CD2 4.26Å; K229-L260 HydrophobicContact CG-CD2 4.12Å
230	S	93.2	Very high	92.4	Very high	10 Å²	10	48.2 Å²	48.2	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-68.5	-42	-177.8	-55.4	0	0	0	0	112.2	I150 L188 L226 L227 V228 K233 K234	I150-S230 WeakPolarHBondContact CG2-OG 3.37Å; L188-S230 VanDerWaalsContact CD1-CB 3.44Å; L226-S230 WeakPolarHBondContact O-CB 2.82Å; L226-S230 PolarHBondContact O-N 3.42Å; L226-S230 PolarHBondContact O-OG 3.4Å; L227-S230 PolarHBondContact O-N 3.3Å; V228-S230 PolarHBondContact O-N 2.85Å; S230-K233 PolarHBondContact O-N 3.05Å; S230-K234 PolarHBondContact O-N 3.29Å; S230-K234 VanDerWaalsContact O-N 3.16Å
231	M	95.5	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-47.8	173.8	-79.1	-65.2	-74.2	0	0	111.3	I186 L188 C201 R203 L209 L227 V228 K233 K234 I235	I186-M231 HydrophobicContact CG2-CE 4.26Å; I186-M231 HydrophobicContact CG2-SD 3.98Å; I186-M231 WeakPolarHBondContact O-CE 3.4Å; L188-M231 HydrophobicContact CB-CG 4.47Å; L188-M231 HydrophobicContact CB-SD 4.12Å; L188-M231 HydrophobicContact CD1-CG 3.96Å; L188-M231 HydrophobicContact CD1-SD 3.91Å; L188-M231 HydrophobicContact CG-CG 4.33Å; L188-M231 HydrophobicContact CG-SD 3.74Å; C201-M231 HydrophobicContact CB-CG 3.85Å; R203-M231 HydrophobicContact CB-CE 4.15Å; L209-M231 HydrophobicContact CD2-CB 3.81Å; L209-M231 HydrophobicContact CG-CB 4.2Å; L227-M231 WeakPolarHBondContact O-CB 3.07Å; L227-M231 WeakPolarHBondContact O-CG 3.3Å; L227-M231 PolarHBondContact O-N 3.11Å; V228-M231 PolarHBondContact O-N 3.07Å; M231-K233 VanDerWaalsContact C-N 3.29Å; M231-K233 PolarHBondContact O-N 3.5Å; M231-K234 PolarHBondContact O-N 2.82Å; M231-I235 HydrophobicContact CE-CD1 4.26Å; M231-I235 WeakPolarHBondContact O-CB 3.3Å; M231-I235 VanDerWaalsContact O-CG1 3.31Å; M231-I235 WeakPolarHBondContact O-CG1 3.29Å; M231-I235 PolarHBondContact O-N 3.13Å
232	A	95.9	Very high	93.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-44.7	178.4	0	0	0	0	0	111.7	V145 F148 V228 K229 I235 S236 V242 F262	V145-A232 HydrophobicContact CG1-CB 4.24Å; V145-A232 WeakPolarHBondContact CG1-O 3.38Å; V145-A232 HydrophobicContact CG2-CB 3.95Å; F148-A232 HydrophobicContact CD2-CB 4.47Å; F148-A232 HydrophobicContact CE2-CB 4.22Å; V228-A232 VanDerWaalsContact O-CB 3.22Å; V228-A232 WeakPolarHBondContact O-CB 3.37Å; V228-A232 PolarHBondContact O-N 2.78Å; K229-A232 PolarHBondContact O-N 3.43Å; A232-I235 PolarHBondContact O-N 3.13Å; A232-S236 VanDerWaalsContact O-CB 3.32Å; A232-S236 WeakPolarHBondContact O-CB 3.3Å; A232-S236 PolarHBondContact O-N 3.5Å; A232-V242 HydrophobicContact CB-CG1 3.56Å; A232-V242 HydrophobicContact CB-CG2 4.24Å; A232-V242 WeakPolarHBondContact O-CG2 3.44Å; A232-F262 HydrophobicContact CB-CZ 4.44Å
233	K	93.3	Very high	94.1	Very high	86 Å²	86	33.2 Å²	33.2	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-62.3	-44.9	177.4	-168.7	172.2	-172.5	169.8	0	112.7	V145 F148 K229 S230 M231 A237	V145-K233 VanDerWaalsContact CG1-CA 3.4Å; V145-K233 HydrophobicContact CG1-CB 4.1Å; F148-K233 WeakPolarHBondContact O-CD 3.38Å; F148-K233 PolarHBondContact O-NZ 3.33Å; K229-K233 PolarHBondContact O-N 3.42Å; K229-K233 VanDerWaalsContact O-N 3.1Å; S230-K233 PolarHBondContact O-N 3.05Å; M231-K233 VanDerWaalsContact C-N 3.29Å; M231-K233 PolarHBondContact O-N 3.5Å; K233-A237 VanDerWaalsContact O-CB 3.24Å; K233-A237 WeakPolarHBondContact O-CB 3.3Å; K233-A237 PolarHBondContact O-N 2.82Å
234	K	93.9	Very high	94.6	Very high	79 Å²	79	31.8 Å²	31.8	34%	0.343	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-41.7	177.7	-74.9	-177.5	177	-104	0	112.4	H154 I186 L188 S230 M231 A238	H154-K234 PolarHBondContact NE2-NZ 3.22Å; I186-K234 HydrophobicContact CD1-CB 4.42Å; I186-K234 HydrophobicContact CG2-CB 3.85Å; I186-K234 HydrophobicContact CG2-CD 4.1Å; L188-K234 HydrophobicContact CD1-CD 4.18Å; L188-K234 HydrophobicContact CD2-CD 4.01Å; L188-K234 HydrophobicContact CG-CD 4.37Å; S230-K234 PolarHBondContact O-N 3.29Å; S230-K234 VanDerWaalsContact O-N 3.16Å; M231-K234 PolarHBondContact O-N 2.82Å; K234-A238 PolarHBondContact O-N 3.24Å; K234-A238 VanDerWaalsContact O-N 3.12Å
235	I	95.6	Very high	94.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-47.2	178	-68.7	167.3	0	0	0	110.4	I186 L209 M231 A232 A237 A238 G239 D240 Q241 V242	I186-I235 HydrophobicContact CD1-CG1 4.3Å; L209-I235 HydrophobicContact CD1-CD1 3.65Å; L209-I235 HydrophobicContact CG-CD1 4.11Å; M231-I235 HydrophobicContact CE-CD1 4.26Å; M231-I235 WeakPolarHBondContact O-CB 3.3Å; M231-I235 VanDerWaalsContact O-CG1 3.31Å; M231-I235 WeakPolarHBondContact O-CG1 3.29Å; M231-I235 PolarHBondContact O-N 3.13Å; A232-I235 PolarHBondContact O-N 3.13Å; I235-A237 PolarHBondContact O-N 3.26Å; I235-A238 WeakPolarHBondContact O-CB 3.12Å; I235-A238 PolarHBondContact O-N 3.42Å; I235-A238 VanDerWaalsContact O-N 3.12Å; I235-G239 PolarHBondContact O-N 2.84Å; I235-D240 HydrophobicContact CG2-CB 3.89Å; I235-D240 PolarHBondContact O-N 2.97Å; I235-Q241 WeakPolarHBondContact CG2-O 3.47Å; I235-V242 HydrophobicContact CB-CG2 4.19Å; I235-V242 HydrophobicContact CG2-CG2 3.98Å
236	S	94.8	Very high	94.8	Very high	22 Å²	22	31 Å²	31	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-40	178.3	-172.7	0	0	0	0	112.4	A232 A238 G239	A232-S236 VanDerWaalsContact O-CB 3.32Å; A232-S236 WeakPolarHBondContact O-CB 3.3Å; A232-S236 PolarHBondContact O-N 3.5Å; S236-A238 PolarHBondContact O-N 2.89Å; S236-G239 WeakPolarHBondContact O-CA 3.27Å; S236-G239 PolarHBondContact O-N 3.09Å
237	A	93.1	Very high	95	Very high	87 Å²	87	30.6 Å²	30.6	72%	0.719	19%	0.191	S	C	*	.	H	α-helix	trans	-63.8	-26.5	174.6	0	0	0	0	0	113	K233 I235 G239	K233-A237 VanDerWaalsContact O-CB 3.24Å; K233-A237 WeakPolarHBondContact O-CB 3.3Å; K233-A237 PolarHBondContact O-N 2.82Å; I235-A237 PolarHBondContact O-N 3.26Å; A237-G239 PolarHBondContact O-N 2.86Å
238	A	92.8	Very high	94.8	Very high	50 Å²	50	32 Å²	32	41%	0.413	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	1.6	172.2	0	0	0	0	0	113.5	I186 K234 I235 S236 D240	I186-A238 HydrophobicContact CD1-CB 4.19Å; K234-A238 PolarHBondContact O-N 3.24Å; K234-A238 VanDerWaalsContact O-N 3.12Å; I235-A238 WeakPolarHBondContact O-CB 3.12Å; I235-A238 PolarHBondContact O-N 3.42Å; I235-A238 VanDerWaalsContact O-N 3.12Å; S236-A238 PolarHBondContact O-N 2.89Å; A238-D240 VanDerWaalsContact C-N 3.34Å
239	G	93.4	Very high	94.7	Very high	68 Å²	68	40.6 Å²	40.6	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	10.1	179.1	0	0	0	0	0	114.8	I235 S236 A237	I235-G239 PolarHBondContact O-N 2.84Å; S236-G239 WeakPolarHBondContact O-CA 3.27Å; S236-G239 PolarHBondContact O-N 3.09Å; A237-G239 PolarHBondContact O-N 2.86Å
240	D	94.2	Very high	94.6	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.091	24%	0.241	C	C	.	.			trans	-99.6	155.9	-177.7	-66.1	-33.3	0	0	0	111.7	N36 K40 R203 I235 A238	N36-D240 PolarHBondContact ND2-OD1 3.43Å; K40-D240 IonicContact NZ-OD1 3.92Å; K40-D240 PolarHBondContact NZ-OD1 2.81Å; K40-D240 IonicContact NZ-OD2 2.98Å; K40-D240 PolarHBondContact NZ-OD2 3.43Å; R203-D240 IonicContact CZ-OD2 2.64Å; R203-D240 VanDerWaalsContact CZ-OD2 3.23Å; R203-D240 IonicContact NH1-OD2 2.94Å; R203-D240 PolarHBondContact NH1-OD2 2.97Å; R203-D240 VanDerWaalsContact NH2-CG 3.27Å; R203-D240 IonicContact NH2-OD2 3.91Å; R203-D240 PolarHBondContact NH2-OD2 3.4Å; I235-D240 HydrophobicContact CG2-CB 3.89Å; I235-D240 PolarHBondContact O-N 2.97Å; A238-D240 VanDerWaalsContact C-N 3.34Å
241	Q	94.8	Very high	94.7	Very high	73 Å²	73	44.2 Å²	44.2	34%	0.341	26%	0.262	S	S	.	.			trans	-67.2	141.5	174.3	-67.4	-61.7	-20.7	0	0	112	D26 I235 L243	D26-Q241 HydrophobicContact CB-CG 4.34Å; D26-Q241 PolarHBondContact OD2-NE2 3.12Å; I235-Q241 WeakPolarHBondContact CG2-O 3.47Å; Q241-L243 HydrophobicContact CB-CD1 4.12Å; Q241-L243 HydrophobicContact CB-CD2 4.48Å; Q241-L243 HydrophobicContact CB-CG 4.07Å; Q241-L243 PolarHBondContact O-N 3.49Å
242	V	97	Very high	94.6	Very high	4 Å²	4	48 Å²	48	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	101.3	178.3	-178.6	0	0	0	0	109.5	A139 A140 V145 L209 A232 I235 F262	A139-V242 WeakPolarHBondContact CA-O 3.16Å; A140-V242 HydrophobicContact CB-CB 4.26Å; A140-V242 HydrophobicContact CB-CG1 4.09Å; A140-V242 PolarHBondContact N-O 2.83Å; A140-V242 VanDerWaalsContact N-O 3.13Å; V145-V242 HydrophobicContact CG2-CG2 4.23Å; L209-V242 HydrophobicContact CD1-CG1 3.86Å; A232-V242 HydrophobicContact CB-CG1 3.56Å; A232-V242 HydrophobicContact CB-CG2 4.24Å; A232-V242 WeakPolarHBondContact O-CG2 3.44Å; I235-V242 HydrophobicContact CB-CG2 4.19Å; I235-V242 HydrophobicContact CG2-CG2 3.98Å; V242-F262 HydrophobicContact CG1-CE1 3.77Å; V242-F262 HydrophobicContact CG1-CZ 3.85Å
243	L	97.8	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151	-173.9	-56.9	170	0	0	0	111.2	T27 P33 W137 Y138 A139 S208 L209 Q241 I265	T27-L243 HydrophobicContact CG2-CD2 4.23Å; P33-L243 HydrophobicContact CG-CD1 4.18Å; W137-L243 HydrophobicContact CH2-CB 4.06Å; W137-L243 HydrophobicContact CZ2-CB 3.49Å; W137-L243 VanDerWaalsContact CZ2-CB 3.49Å; W137-L243 HydrophobicContact CZ2-CD1 3.58Å; W137-L243 HydrophobicContact CZ2-CG 4.04Å; Y138-L243 CarbonylContact O-C 3.58Å; Y138-L243 WeakPolarHBondContact O-CA 3.38Å; A139-L243 HydrophobicContact CB-CD2 3.8Å; S208-L243 CarbonylContact C-O 3.54Å; S208-L243 VanDerWaalsContact CA-O 3.27Å; S208-L243 WeakPolarHBondContact CA-O 3.49Å; S208-L243 WeakPolarHBondContact CB-O 3.26Å; L209-L243 WeakPolarHBondContact CD1-O 3.33Å; L209-L243 PolarHBondContact N-O 3.33Å; Q241-L243 HydrophobicContact CB-CD1 4.12Å; Q241-L243 HydrophobicContact CB-CD2 4.48Å; Q241-L243 HydrophobicContact CB-CG 4.07Å; Q241-L243 PolarHBondContact O-N 3.49Å; L243-I265 HydrophobicContact CD2-CD1 4.22Å
244	A	97.4	Very high	94.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	123.2	176.9	0	0	0	0	0	112.8	Y138 L209 F257	Y138-A244 PolarHBondContact N-O 2.89Å; Y138-A244 PolarHBondContact O-N 2.94Å; L209-A244 HydrophobicContact CB-CB 4.15Å; A244-F257 HydrophobicContact CB-CD1 4.22Å; A244-F257 HydrophobicContact CB-CE1 3.43Å; A244-F257 VanDerWaalsContact CB-CE1 3.43Å; A244-F257 HydrophobicContact CB-CE2 4.46Å; A244-F257 HydrophobicContact CB-CZ 3.58Å
245	P	96.4	Very high	94.8	Very high	24 Å²	24	46.9 Å²	46.9	16%	0.156	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.7	167.4	31.5	-24.1	0	0	0	110.3	T135 V136 W137 L204 L209 W270	T135-P245 HydrophobicContact CG2-CB 4.25Å; T135-P245 WeakPolarHBondContact OG1-CA 3.39Å; T135-P245 WeakPolarHBondContact OG1-CB 3.49Å; V136-P245 WeakPolarHBondContact O-CA 3.29Å; W137-P245 HydrophobicContact CE3-CB 3.7Å; W137-P245 HydrophobicContact CE3-CG 4.22Å; W137-P245 HydrophobicContact CZ3-CB 3.62Å; W137-P245 VanDerWaalsContact CZ3-CD 3.44Å; W137-P245 HydrophobicContact CZ3-CG 3.66Å; L204-P245 HydrophobicContact CD1-CG 3.88Å; L209-P245 WeakPolarHBondContact O-CD 3.45Å; P245-W270 HydrophobicContact CB-CH2 3.42Å; P245-W270 VanDerWaalsContact CB-CH2 3.42Å; P245-W270 HydrophobicContact CB-CZ2 3.54Å; P245-W270 HydrophobicContact CG-CH2 4.34Å; P245-W270 HydrophobicContact CG-CZ2 3.97Å
246	V	95.5	Very high	94.8	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.6	175.2	-173	0	0	0	0	110.6	T135 V136 Y138 T248 N250 S253 R254 F257	T135-V246 CarbonylContact C-O 3.56Å; T135-V246 VanDerWaalsContact CA-O 3.3Å; T135-V246 WeakPolarHBondContact CA-O 3.44Å; T135-V246 VanDerWaalsContact CB-O 3.29Å; T135-V246 WeakPolarHBondContact CB-O 3.45Å; V136-V246 PolarHBondContact N-O 3.48Å; V136-V246 PolarHBondContact O-N 3.25Å; Y138-V246 HydrophobicContact CD2-CB 4.22Å; Y138-V246 HydrophobicContact CD2-CG2 3.77Å; Y138-V246 HydrophobicContact CE2-CB 3.92Å; Y138-V246 HydrophobicContact CE2-CG2 3.89Å; V246-T248 PolarHBondContact O-N 3.43Å; V246-N250 HydrophobicContact CG1-CB 4.27Å; V246-S253 WeakPolarHBondContact CG1-OG 3.3Å; V246-R254 HydrophobicContact CB-CG 4.22Å; V246-R254 HydrophobicContact CG1-CG 3.66Å; V246-F257 HydrophobicContact CG2-CD2 3.55Å; V246-F257 HydrophobicContact CG2-CE2 3.57Å; V246-F257 HydrophobicContact CG2-CG 4.34Å; V246-F257 HydrophobicContact CG2-CZ 4.36Å
247	V	94.4	Very high	94.9	Very high	48 Å²	48	47.7 Å²	47.7	29%	0.291	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.3	131.6	179.8	175	0	0	0	0	110.1	V133 T135 K249 N250	V133-V247 HydrophobicContact CG1-CG2 4.4Å; T135-V247 HydrophobicContact CG2-CB 4.45Å; T135-V247 HydrophobicContact CG2-CG2 3.94Å; V247-K249 HydrophobicContact CG1-CB 4.4Å; V247-K249 PolarHBondContact O-N 2.97Å; V247-K249 VanDerWaalsContact O-N 3.11Å; V247-N250 HydrophobicContact CB-CB 4.22Å; V247-N250 WeakPolarHBondContact O-CB 2.96Å; V247-N250 PolarHBondContact O-N 3.2Å
248	T	91.8	Very high	95.1	Very high	29 Å²	29	48 Å²	48	18%	0.178	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.9	-170.7	51.4	0	0	0	0	113.2	D134 V136 V246 R254	D134-T248 HydrophobicContact CB-CG2 4.31Å; D134-T248 PolarHBondContact O-N 2.92Å; D134-T248 WeakPolarHBondContact OD2-CB 3.17Å; D134-T248 WeakPolarHBondContact OD2-CG2 3.35Å; D134-T248 PolarHBondContact OD2-OG1 2.72Å; V136-T248 HydrophobicContact CG2-CG2 3.88Å; V246-T248 PolarHBondContact O-N 3.43Å; T248-R254 WeakPolarHBondContact O-CD 3.25Å; T248-R254 PolarHBondContact O-NH1 3.39Å
249	K	93.5	Very high	95.2	Very high	181 Å²	181	54.4 Å²	54.4	79%	0.787	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.1	176.4	-61.5	179.6	-178	175.1	0	114.7	V247 T251	V247-K249 HydrophobicContact CG1-CB 4.4Å; V247-K249 PolarHBondContact O-N 2.97Å; V247-K249 VanDerWaalsContact O-N 3.11Å; K249-T251 VanDerWaalsContact C-N 3.25Å; K249-T251 PolarHBondContact O-N 3.31Å
250	N	92.9	Very high	95.3	Very high	69 Å²	69	52.1 Å²	52.1	37%	0.369	27%	0.266	S	S	.	.			trans	-83.8	68.1	-179.9	-169.9	-13.6	0	0	0	111	V246 V247 P252 S253 R254	V246-N250 HydrophobicContact CG1-CB 4.27Å; V247-N250 HydrophobicContact CB-CB 4.22Å; V247-N250 WeakPolarHBondContact O-CB 2.96Å; V247-N250 PolarHBondContact O-N 3.2Å; N250-P252 VanDerWaalsContact C-CD 3.45Å; N250-P252 VanDerWaalsContact C-N 3.34Å; N250-S253 PolarHBondContact O-N 2.92Å; N250-S253 WeakPolarHBondContact OD1-CB 3.39Å; N250-S253 PolarHBondContact OD1-N 3.35Å; N250-R254 WeakPolarHBondContact O-CG 3.35Å; N250-R254 PolarHBondContact O-N 3.33Å
251	T	94.5	Very high	95.3	Very high	84 Å²	84	53 Å²	53	52%	0.515	28%	0.279	S	S	.	.	H	α-helix	trans	-52	-43.5	179.4	-49.5	0	0	0	0	113.1	K249 S253 R254 S255	K249-T251 VanDerWaalsContact C-N 3.25Å; K249-T251 PolarHBondContact O-N 3.31Å; T251-S253 PolarHBondContact O-N 3.33Å; T251-R254 PolarHBondContact O-N 3.34Å; T251-S255 WeakPolarHBondContact O-CB 3.21Å; T251-S255 PolarHBondContact O-N 3.16Å; T251-S255 PolarHBondContact O-OG 3.26Å
252	P	93.4	Very high	95.4	Very high	81 Å²	81	49.8 Å²	49.8	53%	0.526	26%	0.264	S	S	.	.	H	α-helix	trans	-58.6	-44.4	178.5	-26.1	36	0	0	0	113.7	N250 M256	N250-P252 VanDerWaalsContact C-CD 3.45Å; N250-P252 VanDerWaalsContact C-N 3.34Å; P252-M256 WeakPolarHBondContact O-CB 3.49Å; P252-M256 PolarHBondContact O-N 2.95Å; P252-M256 VanDerWaalsContact O-N 3.12Å
253	S	94.4	Very high	95.4	Very high	21 Å²	21	59 Å²	59	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-69.3	-44.5	178.8	-171.6	0	0	0	0	111	V246 N250 T251 S255 M256 F257	V246-S253 WeakPolarHBondContact CG1-OG 3.3Å; N250-S253 PolarHBondContact O-N 2.92Å; N250-S253 WeakPolarHBondContact OD1-CB 3.39Å; N250-S253 PolarHBondContact OD1-N 3.35Å; T251-S253 PolarHBondContact O-N 3.33Å; S253-S255 PolarHBondContact O-N 3.14Å; S253-M256 WeakPolarHBondContact O-CB 3.5Å; S253-M256 PolarHBondContact O-N 3.47Å; S253-M256 VanDerWaalsContact O-N 3.09Å; S253-F257 VanDerWaalsContact O-CD2 3.3Å; S253-F257 WeakPolarHBondContact O-CD2 3.3Å; S253-F257 PolarHBondContact O-N 2.95Å
254	R	96.5	Very high	95.4	Very high	77 Å²	77	61.8 Å²	61.8	29%	0.291	32%	0.322	S	S	.	.	H	α-helix	trans	-56.9	-51.3	177.4	-70.4	179.7	54.2	-167.7	-3.3	112.1	Y138 V246 T248 N250 T251 M256 F257 E258	Y138-R254 HydrophobicContact CE2-CG 4.3Å; Y138-R254 WeakPolarHBondContact OH-CG 3.46Å; Y138-R254 PolarHBondContact OH-NE 2.99Å; V246-R254 HydrophobicContact CB-CG 4.22Å; V246-R254 HydrophobicContact CG1-CG 3.66Å; T248-R254 WeakPolarHBondContact O-CD 3.25Å; T248-R254 PolarHBondContact O-NH1 3.39Å; N250-R254 WeakPolarHBondContact O-CG 3.35Å; N250-R254 PolarHBondContact O-N 3.33Å; T251-R254 PolarHBondContact O-N 3.34Å; R254-M256 PolarHBondContact O-N 3.05Å; R254-F257 PolarHBondContact O-N 2.6Å; R254-F257 VanDerWaalsContact O-N 3.15Å; R254-E258 WeakPolarHBondContact O-CG 3.44Å; R254-E258 PolarHBondContact O-N 2.82Å
255	S	95.8	Very high	95.3	Very high	43 Å²	43	65.6 Å²	65.6	30%	0.301	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-30.6	177.3	-61.5	0	0	0	0	112.8	T251 S253 K259	T251-S255 WeakPolarHBondContact O-CB 3.21Å; T251-S255 PolarHBondContact O-N 3.16Å; T251-S255 PolarHBondContact O-OG 3.26Å; S253-S255 PolarHBondContact O-N 3.14Å; S255-K259 VanDerWaalsContact O-CB 3.32Å; S255-K259 WeakPolarHBondContact O-CB 3.28Å; S255-K259 WeakPolarHBondContact O-CD 3.4Å; S255-K259 WeakPolarHBondContact O-CG 3.35Å; S255-K259 PolarHBondContact O-N 3.43Å; S255-K259 VanDerWaalsContact O-N 3.09Å
256	M	96.2	Very high	95.2	Very high	32 Å²	32	67.4 Å²	67.4	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-67.7	-49.5	173.3	-179.4	-161.2	68.4	0	0	111	L212 S225 V228 P252 S253 R254 E258 K259 L260	L212-M256 HydrophobicContact CD2-CE 3.7Å; S225-M256 WeakPolarHBondContact OG-CG 3.49Å; V228-M256 HydrophobicContact CG2-CE 3.81Å; P252-M256 WeakPolarHBondContact O-CB 3.49Å; P252-M256 PolarHBondContact O-N 2.95Å; P252-M256 VanDerWaalsContact O-N 3.12Å; S253-M256 WeakPolarHBondContact O-CB 3.5Å; S253-M256 PolarHBondContact O-N 3.47Å; S253-M256 VanDerWaalsContact O-N 3.09Å; R254-M256 PolarHBondContact O-N 3.05Å; M256-E258 PolarHBondContact O-N 3.21Å; M256-K259 PolarHBondContact O-N 2.99Å; M256-L260 HydrophobicContact CG-CD1 4.16Å; M256-L260 VanDerWaalsContact O-CG 3.26Å; M256-L260 WeakPolarHBondContact O-CG 3.29Å; M256-L260 PolarHBondContact O-N 3.48Å
257	F	97	Very high	95.2	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-45.4	177.7	-85.5	-81.6	0	0	0	111.9	Y138 L212 V228 A244 V246 S253 R254 K259 L260 G261 F262	Y138-F257 HydrophobicContact CD1-CB 4.27Å; Y138-F257 HydrophobicContact CE1-CB 4.48Å; Y138-F257 HydrophobicContact CG-CB 4.31Å; L212-F257 HydrophobicContact CD2-CE2 4.26Å; L212-F257 HydrophobicContact CD2-CZ 4.46Å; V228-F257 HydrophobicContact CG1-CD1 4.24Å; V228-F257 HydrophobicContact CG1-CE1 3.69Å; V228-F257 HydrophobicContact CG1-CZ 4.24Å; V228-F257 HydrophobicContact CG2-CE1 4.08Å; V228-F257 HydrophobicContact CG2-CE2 4.39Å; V228-F257 HydrophobicContact CG2-CZ 3.76Å; A244-F257 HydrophobicContact CB-CD1 4.22Å; A244-F257 HydrophobicContact CB-CE1 3.43Å; A244-F257 VanDerWaalsContact CB-CE1 3.43Å; A244-F257 HydrophobicContact CB-CE2 4.46Å; A244-F257 HydrophobicContact CB-CZ 3.58Å; V246-F257 HydrophobicContact CG2-CD2 3.55Å; V246-F257 HydrophobicContact CG2-CE2 3.57Å; V246-F257 HydrophobicContact CG2-CG 4.34Å; V246-F257 HydrophobicContact CG2-CZ 4.36Å; S253-F257 VanDerWaalsContact O-CD2 3.3Å; S253-F257 WeakPolarHBondContact O-CD2 3.3Å; S253-F257 PolarHBondContact O-N 2.95Å; R254-F257 PolarHBondContact O-N 2.6Å; R254-F257 VanDerWaalsContact O-N 3.15Å; F257-K259 PolarHBondContact O-N 3.48Å; F257-L260 CarbonylContact O-C 3.53Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.41Å; F257-L260 VanDerWaalsContact O-N 3.11Å; F257-G261 PolarHBondContact O-N 3.28Å; F257-F262 HydrophobicContact CB-CB 4.14Å; F257-F262 HydrophobicContact CB-CG 4.5Å; F257-F262 HydrophobicContact CD1-CB 4.15Å; F257-F262 AromaticContact CD1-CD1 3.65Å; F257-F262 HydrophobicContact CD1-CD1 3.65Å; F257-F262 AromaticContact CD1-CD2 3.91Å; F257-F262 HydrophobicContact CD1-CD2 3.91Å; F257-F262 AromaticContact CD1-CE1 3.9Å; F257-F262 HydrophobicContact CD1-CE1 3.9Å; F257-F262 HydrophobicContact CD1-CE2 4.16Å; F257-F262 AromaticContact CD1-CG 3.65Å; F257-F262 HydrophobicContact CD1-CG 3.65Å; F257-F262 HydrophobicContact CD1-CZ 4.15Å; F257-F262 HydrophobicContact CE1-CD1 4.09Å; F257-F262 AromaticContact CE1-CE1 3.88Å; F257-F262 HydrophobicContact CE1-CE1 3.88Å; F257-F262 HydrophobicContact CE1-CE2 4.48Å; F257-F262 HydrophobicContact CE1-CG 4.46Å; F257-F262 HydrophobicContact CE1-CZ 4.1Å; F257-F262 WeakPolarHBondContact O-CB 3.34Å; F257-F262 PolarHBondContact O-N 2.99Å
258	E	96.8	Very high	95.3	Very high	93 Å²	93	67.4 Å²	67.4	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-45.5	176.3	-69.4	164.8	-176.9	0	0	111.8	Y138 R254 M256 L260 G261	Y138-E258 HydrophobicContact CE1-CG 4.02Å; R254-E258 WeakPolarHBondContact O-CG 3.44Å; R254-E258 PolarHBondContact O-N 2.82Å; M256-E258 PolarHBondContact O-N 3.21Å; E258-L260 PolarHBondContact O-N 2.93Å; E258-G261 PolarHBondContact O-N 2.92Å
259	K	95.8	Very high	95.5	Very high	186 Å²	186	67.1 Å²	67.1	81%	0.809	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-28.7	175.2	-78.2	173.9	-179.4	-179.8	0	113.4	S255 M256 F257 G261	S255-K259 VanDerWaalsContact O-CB 3.32Å; S255-K259 WeakPolarHBondContact O-CB 3.28Å; S255-K259 WeakPolarHBondContact O-CD 3.4Å; S255-K259 WeakPolarHBondContact O-CG 3.35Å; S255-K259 PolarHBondContact O-N 3.43Å; S255-K259 VanDerWaalsContact O-N 3.09Å; M256-K259 PolarHBondContact O-N 2.99Å; F257-K259 PolarHBondContact O-N 3.48Å; K259-G261 PolarHBondContact O-N 3.08Å
260	L	94.6	Very high	95.5	Very high	20 Å²	20	60.6 Å²	60.6	11%	0.105	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.7	174.5	-69.7	175.2	0	0	0	112.7	L144 V228 K229 M256 F257 E258 F262	L144-L260 WeakPolarHBondContact CD1-O 3.27Å; L144-L260 VanDerWaalsContact CD2-O 3.3Å; L144-L260 WeakPolarHBondContact CD2-O 3.48Å; V228-L260 HydrophobicContact CB-CD1 4.01Å; V228-L260 HydrophobicContact CG1-CD1 3.74Å; K229-L260 HydrophobicContact CD-CD2 4.26Å; K229-L260 HydrophobicContact CG-CD2 4.12Å; M256-L260 HydrophobicContact CG-CD1 4.16Å; M256-L260 VanDerWaalsContact O-CG 3.26Å; M256-L260 WeakPolarHBondContact O-CG 3.29Å; M256-L260 PolarHBondContact O-N 3.48Å; F257-L260 CarbonylContact O-C 3.53Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.41Å; F257-L260 VanDerWaalsContact O-N 3.11Å; E258-L260 PolarHBondContact O-N 2.93Å; L260-F262 HydrophobicContact CB-CD2 3.98Å; L260-F262 HydrophobicContact CB-CE2 4.27Å
261	G	95.8	Very high	95.5	Very high	34 Å²	34	57.4 Å²	57.4	35%	0.351	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	5.2	178.4	0	0	0	0	0	114.5	F257 E258 K259	F257-G261 PolarHBondContact O-N 3.28Å; E258-G261 PolarHBondContact O-N 2.92Å; K259-G261 PolarHBondContact O-N 3.08Å
262	F	97.2	Very high	95.1	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.026	30%	0.301	C	S	.	.			trans	-69.8	146.7	172.8	-74.5	-117.4	0	0	0	110.5	Y138 A139 A140 V228 A232 V242 F257 L260	Y138-F262 HydrophobicContact CD1-CB 4.07Å; Y138-F262 HydrophobicContact CG-CB 4.41Å; A139-F262 CarbonylContact O-C 3.6Å; A139-F262 VanDerWaalsContact O-CA 3.28Å; A139-F262 WeakPolarHBondContact O-CA 3.36Å; A140-F262 HydrophobicContact CB-CD1 3.78Å; A140-F262 HydrophobicContact CB-CD2 4Å; A140-F262 HydrophobicContact CB-CE1 3.61Å; A140-F262 HydrophobicContact CB-CE2 3.82Å; A140-F262 HydrophobicContact CB-CG 3.98Å; A140-F262 HydrophobicContact CB-CZ 3.62Å; V228-F262 HydrophobicContact CG1-CE2 3.73Å; V228-F262 HydrophobicContact CG1-CZ 3.69Å; A232-F262 HydrophobicContact CB-CZ 4.44Å; V242-F262 HydrophobicContact CG1-CE1 3.77Å; V242-F262 HydrophobicContact CG1-CZ 3.85Å; F257-F262 HydrophobicContact CB-CB 4.14Å; F257-F262 HydrophobicContact CB-CG 4.5Å; F257-F262 HydrophobicContact CD1-CB 4.15Å; F257-F262 AromaticContact CD1-CD1 3.65Å; F257-F262 HydrophobicContact CD1-CD1 3.65Å; F257-F262 AromaticContact CD1-CD2 3.91Å; F257-F262 HydrophobicContact CD1-CD2 3.91Å; F257-F262 AromaticContact CD1-CE1 3.9Å; F257-F262 HydrophobicContact CD1-CE1 3.9Å; F257-F262 HydrophobicContact CD1-CE2 4.16Å; F257-F262 AromaticContact CD1-CG 3.65Å; F257-F262 HydrophobicContact CD1-CG 3.65Å; F257-F262 HydrophobicContact CD1-CZ 4.15Å; F257-F262 HydrophobicContact CE1-CD1 4.09Å; F257-F262 AromaticContact CE1-CE1 3.88Å; F257-F262 HydrophobicContact CE1-CE1 3.88Å; F257-F262 HydrophobicContact CE1-CE2 4.48Å; F257-F262 HydrophobicContact CE1-CG 4.46Å; F257-F262 HydrophobicContact CE1-CZ 4.1Å; F257-F262 WeakPolarHBondContact O-CB 3.34Å; F257-F262 PolarHBondContact O-N 2.99Å; L260-F262 HydrophobicContact CB-CD2 3.98Å; L260-F262 HydrophobicContact CB-CE2 4.27Å
263	R	96.7	Very high	95.2	Very high	197 Å²	197	55.6 Å²	55.6	74%	0.743	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	136.8	179.4	-60.6	-174.9	-176.8	-170.8	1.3	110.8	Y138 A139	Y138-R263 CarbonylContact C-O 3.5Å; Y138-R263 VanDerWaalsContact CA-O 3.27Å; Y138-R263 WeakPolarHBondContact CA-O 3.39Å; A139-R263 PolarHBondContact N-O 3Å; A139-R263 PolarHBondContact O-N 2.64Å
264	A	96.3	Very high	95.2	Very high	60 Å²	60	57.4 Å²	57.4	50%	0.496	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.4	169.9	0	0	0	0	0	109.6	V136 W137 Y138	V136-A264 HydrophobicContact CG1-CB 3.44Å; V136-A264 VanDerWaalsContact CG1-CB 3.44Å; W137-A264 CarbonylContact O-C 3.54Å; W137-A264 WeakPolarHBondContact O-CA 3.47Å; Y138-A264 HydrophobicContact CD1-CB 4.35Å; Y138-A264 HydrophobicContact CE1-CB 4.05Å
265	I	96.1	Very high	95.2	Very high	80 Å²	80	56.3 Å²	56.3	41%	0.41	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-24.4	-176.8	57.2	163	0	0	0	113.6	T27 W137 A139 L243	T27-I265 HydrophobicContact CG2-CD1 4.27Å; W137-I265 HydrophobicContact CB-CG1 4.44Å; W137-I265 HydrophobicContact CG-CG1 4.32Å; W137-I265 WeakPolarHBondContact O-CG1 3.33Å; W137-I265 PolarHBondContact O-N 3.18Å; A139-I265 HydrophobicContact CB-CD1 3.93Å; A139-I265 HydrophobicContact CB-CG1 4.4Å; A139-I265 HydrophobicContact CB-CG2 4.22Å; L243-I265 HydrophobicContact CD2-CD1 4.22Å
266	D	95	Very high	95.1	Very high	62 Å²	62	57.1 Å²	57.1	33%	0.332	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	-178.7	173.5	-163.3	2.1	0	0	0	108.6	T111 W137	T111-D266 WeakPolarHBondContact CB-OD1 3.47Å; T111-D266 PolarHBondContact OG1-OD1 3.19Å; W137-D266 HydrophobicContact CB-CB 4.42Å; W137-D266 VanDerWaalsContact CB-O 3.31Å; W137-D266 WeakPolarHBondContact CB-O 3.34Å; W137-D266 PolarHBondContact N-O 2.83Å
267	N	94.8	Very high	95.1	Very high	54 Å²	54	58.7 Å²	58.7	29%	0.289	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	157.8	154.3	-65.4	-32.3	0	0	0	110.4	T111 T135 Y269	T111-N267 PolarHBondContact OG1-O 3.15Å; T135-N267 CarbonylContact O-C 3.42Å; T135-N267 VanDerWaalsContact O-CA 3.27Å; T135-N267 WeakPolarHBondContact O-CA 3.3Å; N267-Y269 HydrophobicContact CB-CE2 3.71Å; N267-Y269 WeakPolarHBondContact CB-OH 3.33Å; N267-Y269 PolarHBondContact ND2-OH 3.01Å
268	T	95.7	Very high	94.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159	168.4	-58.3	0	0	0	0	107.2	P29 G108 F109 T135 W270	P29-T268 HydrophobicContact CB-CG2 4.04Å; P29-T268 HydrophobicContact CG-CG2 3.89Å; P29-T268 WeakPolarHBondContact CG-OG1 3.43Å; G108-T268 VanDerWaalsContact C-CG2 3.41Å; F109-T268 CarbonylContact O-C 3.47Å; F109-T268 WeakPolarHBondContact O-CA 3.19Å; T135-T268 PolarHBondContact N-O 2.6Å; T135-T268 PolarHBondContact O-N 2.99Å; T268-W270 HydrophobicContact CG2-CH2 3.24Å; T268-W270 HydrophobicContact CG2-CZ2 3.66Å; T268-W270 HydrophobicContact CG2-CZ3 3.91Å; T268-W270 WeakPolarHBondContact O-CZ3 3.43Å
269	Y	96.3	Very high	94.8	Very high	23 Å²	23	60 Å²	60	9%	0.09	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.9	-172.1	-59.6	-90.5	0	0	0	111.8	G108 F109 T111 K114 T132 V133 D134 N267	G108-Y269 CarbonylContact C-O 3.5Å; G108-Y269 WeakPolarHBondContact CA-O 3.5Å; G108-Y269 PolarHBondContact N-O 3.39Å; F109-Y269 VanDerWaalsContact CD1-O 3.25Å; F109-Y269 WeakPolarHBondContact CD1-O 3.43Å; F109-Y269 HydrophobicContact CD2-CD2 4.38Å; F109-Y269 HydrophobicContact CD2-CG 4.44Å; F109-Y269 WeakPolarHBondContact CE1-O 3.22Å; F109-Y269 HydrophobicContact CE2-CD2 4.28Å; F109-Y269 AromaticContact CE2-CG 3.96Å; F109-Y269 HydrophobicContact CE2-CG 3.96Å; F109-Y269 HydrophobicContact CZ-CG 4.37Å; F109-Y269 PolarHBondContact N-O 3.03Å; F109-Y269 PolarHBondContact O-N 3.32Å; T111-Y269 VanDerWaalsContact CA-CE2 3.47Å; T111-Y269 HydrophobicContact CG2-CE2 4.33Å; T111-Y269 WeakPolarHBondContact OG1-CE2 3.34Å; K114-Y269 HydrophobicContact CD-CD1 4.23Å; K114-Y269 HydrophobicContact CD-CE1 3.85Å; K114-Y269 HydrophobicContact CD-CE2 4.37Å; T132-Y269 HydrophobicContact CG2-CD1 3.91Å; T132-Y269 HydrophobicContact CG2-CG 4.46Å; V133-Y269 WeakPolarHBondContact O-CA 3.44Å; D134-Y269 HydrophobicContact CB-CD1 3.98Å; D134-Y269 HydrophobicContact CB-CE1 3.8Å; N267-Y269 HydrophobicContact CB-CE2 3.71Å; N267-Y269 WeakPolarHBondContact CB-OH 3.33Å; N267-Y269 PolarHBondContact ND2-OH 3.01Å
270	W	94.6	Very high	94.7	Very high	44 Å²	44	50.3 Å²	50.3	17%	0.167	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.1	177.2	-61.7	-109.3	0	0	0	107.1	F106 T132 V133 T135 I206 P245 T268	F106-W270 WeakPolarHBondContact O-CA 3.2Å; T132-W270 CarbonylContact C-O 3.23Å; T132-W270 VanDerWaalsContact CA-O 3.25Å; T132-W270 WeakPolarHBondContact CA-O 3.43Å; V133-W270 HydrophobicContact CB-CB 4.5Å; V133-W270 PolarHBondContact N-O 2.96Å; V133-W270 PolarHBondContact O-N 3.26Å; T135-W270 VanDerWaalsContact CB-CZ3 3.42Å; T135-W270 HydrophobicContact CG2-CD2 4.5Å; T135-W270 HydrophobicContact CG2-CE3 3.64Å; T135-W270 HydrophobicContact CG2-CH2 3.49Å; T135-W270 VanDerWaalsContact CG2-CH2 3.49Å; T135-W270 HydrophobicContact CG2-CZ2 4.29Å; T135-W270 HydrophobicContact CG2-CZ3 3.07Å; T135-W270 WeakPolarHBondContact OG1-CH2 3.32Å; T135-W270 WeakPolarHBondContact OG1-CZ3 3.49Å; I206-W270 HydrophobicContact CD1-CZ2 4.5Å; P245-W270 HydrophobicContact CB-CH2 3.42Å; P245-W270 VanDerWaalsContact CB-CH2 3.42Å; P245-W270 HydrophobicContact CB-CZ2 3.54Å; P245-W270 HydrophobicContact CG-CH2 4.34Å; P245-W270 HydrophobicContact CG-CZ2 3.97Å; T268-W270 HydrophobicContact CG2-CH2 3.24Å; T268-W270 HydrophobicContact CG2-CZ2 3.66Å; T268-W270 HydrophobicContact CG2-CZ3 3.91Å; T268-W270 WeakPolarHBondContact O-CZ3 3.43Å
271	A	91.7	Very high	94.8	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.9	179.9	0	0	0	0	0	111.2	D105 F106 F109 V117 L130 H131	D105-A271 CarbonylContact C-O 3.3Å; F106-A271 HydrophobicContact CB-CB 4.02Å; F106-A271 HydrophobicContact CD2-CB 4.24Å; F106-A271 HydrophobicContact CG-CB 4.47Å; F106-A271 PolarHBondContact N-O 2.73Å; F106-A271 PolarHBondContact O-N 2.83Å; F109-A271 HydrophobicContact CE1-CB 4.03Å; F109-A271 HydrophobicContact CZ-CB 4.23Å; V117-A271 HydrophobicContact CG1-CB 3.98Å; L130-A271 HydrophobicContact CD1-CB 4.03Å; L130-A271 HydrophobicContact CD2-CB 3.79Å; L130-A271 HydrophobicContact CG-CB 3.78Å; H131-A271 WeakPolarHBondContact O-CA 3.4Å
272	A	86.9	Confident	94.7	Very high	72 Å²	72	54.5 Å²	54.5	60%	0.595	29%	0.288	S	S	*	.			trans	-146.8	0	180	0	0	0	0	0	110.9	D105 H131	D105-A272 HydrophobicContact CB-CB 4.2Å; D105-A272 VanDerWaalsContact OD1-CB 3.3Å; D105-A272 WeakPolarHBondContact OD1-CB 3.49Å; H131-A272 PolarHBondContact N-O 3.3Å; H131-A272 PolarHBondContact O-N 3.16Å

Retrieved 272 of 272 residues in 245.1 ms (Link to these results)

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