A0A096N7N2_PAPAN Loading...

Mothers against decapentaplegic homolog

AlphaFold DB (A0A7N9D5J2), UniProt , Accession A0A096N7N2, Species PAPAN (Papio anubis, Olive baboon), Gene SMAD9, Length 467 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	37.7	Very low	240 Å²	240	144.8 Å²	144.8	100%	1.182	81%	0.812	S	S	*	*				0	103.7	0	-75.8	175.8	162.4	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.45Å
2	H	32.1	Very low	38.5	Very low	189 Å²	189	139.8 Å²	139.8	88%	0.875	79%	0.794	S	S	*	*			trans	-75.3	116.8	178.8	-74.5	-77.2	0	0	0	109.1	T4	H2-T4 PolarHBondContact O-N 3.26Å
3	S	31.8	Very low	40	Very low	117 Å²	117	143.5 Å²	143.5	82%	0.818	80%	0.796	S	S	*	*			trans	-79.7	96.8	167.2	-60.8	0	0	0	0	108.2	M1 T5	M1-S3 PolarHBondContact O-N 3.45Å; S3-T5 PolarHBondContact O-N 2.84Å
4	T	34.1	Very low	42.2	Very low	131 Å²	131	135.4 Å²	135.4	80%	0.804	75%	0.753	S	S	*	*			trans	-66.7	107.5	168	28.1	0	0	0	0	109.2	H2	H2-T4 PolarHBondContact O-N 3.26Å
5	T	35	Very low	45.1	Very low	120 Å²	120	128.9 Å²	128.9	74%	0.736	72%	0.72	S	S	*	*			trans	-70.2	127.7	160.1	40.9	0	0	0	0	108.2	S3 I7	S3-T5 PolarHBondContact O-N 2.84Å; T5-I7 PolarHBondContact O-N 2.66Å
6	P	39.8	Very low	47.9	Very low	111 Å²	111	126.9 Å²	126.9	72%	0.721	71%	0.714	S	S	*	*			trans	-73.7	113.4	174.5	27.5	-28	0	0	0	108.5	S8	P6-S8 PolarHBondContact O-N 3.16Å
7	I	41.6	Very low	50.4	Low	158 Å²	158	120.1 Å²	120.1	81%	0.81	68%	0.678	S	S	*	*			trans	-68.6	87.3	161.2	-61.8	168.3	0	0	0	106.2	T5	T5-I7 PolarHBondContact O-N 2.66Å
8	S	39.3	Very low	52.8	Low	98 Å²	98	113.4 Å²	113.4	69%	0.685	64%	0.64	S	S	*	*			trans	-121.4	126.6	167	55	0	0	0	0	109	P6	P6-S8 PolarHBondContact O-N 3.16Å
9	S	40.1	Very low	54.9	Low	114 Å²	114	114.3 Å²	114.3	80%	0.797	64%	0.636	S	S	*	*			trans	101.8	47.7	166.6	-162.2	0	0	0	0	119.5
10	L	40.5	Very low	56.9	Low	149 Å²	149	114.5 Å²	114.5	78%	0.78	63%	0.627	S	S	*	*	S	Bend	trans	-98.2	1.7	163.7	-81.8	171.9	0	0	0	115.6
11	F	42.8	Very low	58.8	Low	166 Å²	166	109 Å²	109	73%	0.728	60%	0.597	S	S	*	*			trans	-131.3	96.5	174.1	-63.3	-76	0	0	0	110.7	F13	F11-F13 HydrophobicContact CB-CD2 3.97Å; F11-F13 HydrophobicContact CB-CE2 3.67Å; F11-F13 HydrophobicContact CB-CZ 4.3Å; F11-F13 HydrophobicContact CG-CE2 4.5Å; F11-F13 PolarHBondContact O-N 3.46Å; F11-F13 VanDerWaalsContact O-N 3.11Å
12	S	47.4	Very low	61.5	Low	84 Å²	84	99.3 Å²	99.3	59%	0.587	55%	0.55	S	S	*	.			trans	-68.9	101.9	158.7	-178.1	0	0	0	0	107.1	T14 E35	S12-T14 PolarHBondContact O-N 2.77Å; S12-E35 PolarHBondContact OG-OE1 3.39Å
13	F	58.3	Low	64.5	Low	189 Å²	189	93.5 Å²	93.5	83%	0.829	54%	0.541	S	S	*	.			trans	-74.4	72.8	174.7	-81	-86.7	0	0	0	109.9	F11 S15	F11-F13 HydrophobicContact CB-CD2 3.97Å; F11-F13 HydrophobicContact CB-CE2 3.67Å; F11-F13 HydrophobicContact CB-CZ 4.3Å; F11-F13 HydrophobicContact CG-CE2 4.5Å; F11-F13 PolarHBondContact O-N 3.46Å; F11-F13 VanDerWaalsContact O-N 3.11Å; F13-S15 PolarHBondContact O-N 2.84Å
14	T	71.3	Confident	67.5	Low	30 Å²	30	91.3 Å²	91.3	18%	0.184	52%	0.515	C	S	.	.			trans	-68	129.4	164.7	41.4	0	0	0	0	109.4	S12 V18 K19 E35	S12-T14 PolarHBondContact O-N 2.77Å; T14-V18 HydrophobicContact CG2-CG1 4.48Å; T14-K19 WeakPolarHBondContact OG1-CE 3.07Å; T14-K19 WeakPolarHBondContact OG1-CG 3.46Å; T14-E35 HydrophobicContact CG2-CG 3.9Å; T14-E35 WeakPolarHBondContact CG2-OE1 3.42Å
15	S	85.4	Confident	70.4	Confident	38 Å²	38	86.9 Å²	86.9	27%	0.266	48%	0.484	S	S	.	.			trans	-56	143.4	177.1	-179.4	0	0	0	0	110.3	F13 A17 V18 K19	F13-S15 PolarHBondContact O-N 2.84Å; S15-A17 PolarHBondContact O-N 3.01Å; S15-A17 VanDerWaalsContact O-N 3.08Å; S15-V18 WeakPolarHBondContact O-CA 3.3Å; S15-V18 WeakPolarHBondContact O-CB 3.42Å; S15-V18 PolarHBondContact O-N 3.39Å; S15-K19 PolarHBondContact O-N 3.41Å
16	P	89.4	Confident	73.2	Confident	96 Å²	96	85.5 Å²	85.5	62%	0.623	47%	0.469	S	S	*	.	H	α-helix	trans	-51.8	-34.9	177.7	-29.3	35.2	0	0	0	113.9	K19 R20	P16-K19 PolarHBondContact O-N 3.35Å; P16-R20 WeakPolarHBondContact O-CB 3.27Å; P16-R20 PolarHBondContact O-N 3.32Å
17	A	90.6	Very high	75.5	Confident	12 Å²	12	82.1 Å²	82.1	10%	0.099	46%	0.455	C	S	.	.	H	α-helix	trans	-66.2	-38.5	175.3	0	0	0	0	0	112.9	S15 R20 L21 V42 M52	S15-A17 PolarHBondContact O-N 3.01Å; S15-A17 VanDerWaalsContact O-N 3.08Å; A17-R20 PolarHBondContact O-N 3.13Å; A17-L21 WeakPolarHBondContact O-CB 3.43Å; A17-L21 WeakPolarHBondContact O-CG 3.34Å; A17-L21 PolarHBondContact O-N 3.31Å; A17-V42 HydrophobicContact CB-CG1 4.19Å; A17-M52 HydrophobicContact CB-CE 3.86Å
18	V	93.6	Very high	77.4	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	46%	0.455	C	S	.	.	H	α-helix	trans	-66.5	-46.1	176.4	175	0	0	0	0	109.9	T14 S15 R20 L21 L22 V38 D39 V42	T14-V18 HydrophobicContact CG2-CG1 4.48Å; S15-V18 WeakPolarHBondContact O-CA 3.3Å; S15-V18 WeakPolarHBondContact O-CB 3.42Å; S15-V18 PolarHBondContact O-N 3.39Å; V18-R20 VanDerWaalsContact C-N 3.31Å; V18-R20 PolarHBondContact O-N 3.33Å; V18-L21 PolarHBondContact O-N 3.45Å; V18-L22 HydrophobicContact CG1-CD1 3.78Å; V18-L22 HydrophobicContact CG1-CG 4.29Å; V18-L22 WeakPolarHBondContact O-CB 3.47Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.05Å; V18-V38 HydrophobicContact CB-CG1 4.4Å; V18-V38 HydrophobicContact CG1-CB 4.4Å; V18-V38 HydrophobicContact CG1-CG1 4.01Å; V18-V38 HydrophobicContact CG2-CG1 4.49Å; V18-D39 HydrophobicContact CG2-CB 4.15Å; V18-V42 HydrophobicContact CG2-CB 4.21Å; V18-V42 HydrophobicContact CG2-CG2 3.9Å
19	K	93.3	Very high	79.1	Confident	129 Å²	129	85.3 Å²	85.3	56%	0.561	46%	0.46	S	S	*	.	H	α-helix	trans	-57.3	-44.4	175.5	-69.4	-170.5	179.5	-175.1	0	111.9	T14 S15 P16 L22 G23	T14-K19 WeakPolarHBondContact OG1-CE 3.07Å; T14-K19 WeakPolarHBondContact OG1-CG 3.46Å; S15-K19 PolarHBondContact O-N 3.41Å; P16-K19 PolarHBondContact O-N 3.35Å; K19-L22 PolarHBondContact O-N 3.47Å; K19-G23 PolarHBondContact O-N 3.26Å
20	R	94.3	Very high	81.3	Confident	119 Å²	119	83 Å²	83	45%	0.449	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-50.4	177.3	-164.7	-171.5	-54.3	132.1	3	111.6	P16 A17 V18 L22 G23 W24 E56	P16-R20 WeakPolarHBondContact O-CB 3.27Å; P16-R20 PolarHBondContact O-N 3.32Å; A17-R20 PolarHBondContact O-N 3.13Å; V18-R20 VanDerWaalsContact C-N 3.31Å; V18-R20 PolarHBondContact O-N 3.33Å; R20-L22 VanDerWaalsContact C-N 3.3Å; R20-L22 PolarHBondContact O-N 3.43Å; R20-G23 WeakPolarHBondContact O-CA 3.25Å; R20-G23 PolarHBondContact O-N 3.28Å; R20-W24 HydrophobicContact CG-CH2 3.85Å; R20-W24 HydrophobicContact CG-CZ3 3.91Å; R20-W24 VanDerWaalsContact O-CE3 3.24Å; R20-W24 VanDerWaalsContact O-CZ3 3.26Å; R20-W24 WeakPolarHBondContact O-CZ3 3.47Å; R20-E56 VanDerWaalsContact CD-OE2 3.26Å; R20-E56 WeakPolarHBondContact CD-OE2 3.17Å; R20-E56 IonicContact CZ-OE1 2.85Å; R20-E56 IonicContact CZ-OE2 3.3Å; R20-E56 IonicContact NE-OE2 3.82Å; R20-E56 IonicContact NH1-OE1 3.83Å; R20-E56 PolarHBondContact NH1-OE1 3.18Å; R20-E56 IonicContact NH1-OE2 2.85Å; R20-E56 PolarHBondContact NH1-OE2 2.79Å
21	L	96	Very high	83.6	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-64.6	-31.8	179.8	-73.6	177.9	0	0	0	113.7	A17 V18 G23 W24 V38 V42 M52 L55 E56 L59 W96	A17-L21 WeakPolarHBondContact O-CB 3.43Å; A17-L21 WeakPolarHBondContact O-CG 3.34Å; A17-L21 PolarHBondContact O-N 3.31Å; V18-L21 PolarHBondContact O-N 3.45Å; L21-G23 PolarHBondContact O-N 2.73Å; L21-W24 HydrophobicContact CD2-CE3 4.22Å; L21-W24 HydrophobicContact CD2-CZ3 3.93Å; L21-W24 PolarHBondContact O-N 3.45Å; L21-V38 HydrophobicContact CB-CG1 3.56Å; L21-V38 HydrophobicContact CD1-CG1 3.9Å; L21-V38 HydrophobicContact CG-CG1 4.41Å; L21-V42 HydrophobicContact CD1-CG2 3.56Å; L21-M52 HydrophobicContact CD1-CE 3.91Å; L21-M52 HydrophobicContact CD1-SD 4.46Å; L21-L55 HydrophobicContact CD1-CD2 4.04Å; L21-L55 HydrophobicContact CD2-CD2 3.86Å; L21-L55 HydrophobicContact CD2-CG 4.05Å; L21-E56 HydrophobicContact CD2-CG 4.06Å; L21-L59 HydrophobicContact CD2-CD1 3.64Å; L21-W96 HydrophobicContact CB-CZ2 4.43Å; L21-W96 PolarHBondContact O-NE1 3.12Å
22	L	95.6	Very high	85.9	Confident	36 Å²	36	82.5 Å²	82.5	19%	0.188	43%	0.43	C	S	.	.	H	α-helix	trans	-70.4	-20.8	172.5	-71.8	170.8	0	0	0	112.6	V18 K19 R20 W24 K25 A34 E35 V38	V18-L22 HydrophobicContact CG1-CD1 3.78Å; V18-L22 HydrophobicContact CG1-CG 4.29Å; V18-L22 WeakPolarHBondContact O-CB 3.47Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.05Å; K19-L22 PolarHBondContact O-N 3.47Å; R20-L22 VanDerWaalsContact C-N 3.3Å; R20-L22 PolarHBondContact O-N 3.43Å; L22-W24 PolarHBondContact O-N 2.91Å; L22-K25 HydrophobicContact CD2-CD 4.33Å; L22-K25 WeakPolarHBondContact O-CB 3.22Å; L22-K25 PolarHBondContact O-N 3.47Å; L22-A34 HydrophobicContact CD2-CB 4.25Å; L22-E35 HydrophobicContact CD1-CB 4.15Å; L22-E35 HydrophobicContact CD1-CG 4.11Å; L22-V38 HydrophobicContact CD2-CB 4.26Å; L22-V38 HydrophobicContact CD2-CG2 3.86Å; L22-V38 HydrophobicContact CG-CB 4.48Å; L22-V38 HydrophobicContact CG-CG1 4.49Å; L22-V38 HydrophobicContact CG-CG2 4.44Å
23	G	94.1	Very high	88.1	Confident	67 Å²	67	80 Å²	80	69%	0.691	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	174.2	0	0	0	0	0	114.5	K19 R20 L21	K19-G23 PolarHBondContact O-N 3.26Å; R20-G23 WeakPolarHBondContact O-CA 3.25Å; R20-G23 PolarHBondContact O-N 3.28Å; L21-G23 PolarHBondContact O-N 2.73Å
24	W	95.2	Very high	89.8	Confident	70 Å²	70	71.2 Å²	71.2	27%	0.265	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2.9	172.6	-62.2	-76.4	0	0	0	113.5	R20 L21 L22 Q26 E56 L59	R20-W24 HydrophobicContact CG-CH2 3.85Å; R20-W24 HydrophobicContact CG-CZ3 3.91Å; R20-W24 VanDerWaalsContact O-CE3 3.24Å; R20-W24 VanDerWaalsContact O-CZ3 3.26Å; R20-W24 WeakPolarHBondContact O-CZ3 3.47Å; L21-W24 HydrophobicContact CD2-CE3 4.22Å; L21-W24 HydrophobicContact CD2-CZ3 3.93Å; L21-W24 PolarHBondContact O-N 3.45Å; L22-W24 PolarHBondContact O-N 2.91Å; W24-Q26 PolarHBondContact O-NE2 3.05Å; W24-E56 HydrophobicContact CH2-CB 4.42Å; W24-E56 HydrophobicContact CH2-CG 4.34Å; W24-E56 HydrophobicContact CZ3-CG 4.36Å; W24-L59 HydrophobicContact CB-CB 4.39Å; W24-L59 HydrophobicContact CB-CD1 4.44Å; W24-L59 HydrophobicContact CD2-CB 3.7Å; W24-L59 HydrophobicContact CD2-CD1 4.22Å; W24-L59 HydrophobicContact CE3-CB 3.95Å; W24-L59 HydrophobicContact CE3-CD1 3.74Å; W24-L59 HydrophobicContact CG-CB 3.9Å; W24-L59 HydrophobicContact CZ3-CD1 4.37Å
25	K	94.8	Very high	91	Very high	38 Å²	38	72.3 Å²	72.3	17%	0.165	37%	0.373	C	S	.	.			trans	-59.1	142.4	179.3	-172.3	-172.1	95.7	73.8	0	109.8	L22 G27 E29 A34 V95	L22-K25 HydrophobicContact CD2-CD 4.33Å; L22-K25 WeakPolarHBondContact O-CB 3.22Å; L22-K25 PolarHBondContact O-N 3.47Å; K25-G27 WeakPolarHBondContact CE-O 3.36Å; K25-G27 PolarHBondContact NZ-O 2.95Å; K25-E29 PolarHBondContact NZ-O 2.94Å; K25-A34 HydrophobicContact CD-CB 3.55Å; K25-A34 HydrophobicContact CG-CB 4.37Å; K25-V95 CarbonylContact C-O 3.58Å; K25-V95 WeakPolarHBondContact CA-O 3.49Å; K25-V95 HydrophobicContact CG-CG1 4.17Å; K25-V95 WeakPolarHBondContact CG-O 3.39Å
26	Q	94	Very high	91.4	Very high	91 Å²	91	75.6 Å²	75.6	43%	0.425	38%	0.382	S	S	.	.			trans	-99.9	145.4	174.4	-60.8	-60.4	-42.8	0	0	111.2	W24 V95 W96 P99	W24-Q26 PolarHBondContact O-NE2 3.05Å; Q26-V95 PolarHBondContact N-O 3.49Å; Q26-W96 WeakPolarHBondContact CG-O 3.37Å; Q26-P99 VanDerWaalsContact C-CG 3.47Å; Q26-P99 HydrophobicContact CB-CG 3.42Å; Q26-P99 VanDerWaalsContact CB-CG 3.42Å; Q26-P99 WeakPolarHBondContact O-CG 3.3Å
27	G	89.1	Confident	91.7	Very high	40 Å²	40	71 Å²	71	41%	0.412	35%	0.353	S	S	.	.	S	Bend	trans	66.5	170.9	-177	0	0	0	0	0	113.8	K25	K25-G27 WeakPolarHBondContact CE-O 3.36Å; K25-G27 PolarHBondContact NZ-O 2.95Å
28	D	80.5	Confident	92	Very high	153 Å²	153	70.4 Å²	70.4	82%	0.818	35%	0.348	S	S	*	.	S	Bend	trans	-108	-16.8	178.2	-62.7	-36.1	0	0	0	112.7
29	E	75.3	Confident	92.1	Very high	171 Å²	171	72.9 Å²	72.9	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	143.4	178.8	-58.7	-170.7	161.2	0	0	111.4	K25 E31	K25-E29 PolarHBondContact NZ-O 2.94Å; E29-E31 PolarHBondContact O-N 3.25Å
30	E	84.9	Confident	92.1	Very high	64 Å²	64	68.3 Å²	68.3	30%	0.299	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	32.7	173.8	-43.2	-163.7	121.3	0	0	116.2	K32 W33 A34 R84 R94	E30-K32 PolarHBondContact O-N 2.94Å; E30-W33 HydrophobicContact CB-CB 4.14Å; E30-W33 WeakPolarHBondContact O-CA 3.45Å; E30-W33 WeakPolarHBondContact O-CB 3.38Å; E30-W33 PolarHBondContact O-N 3.37Å; E30-A34 PolarHBondContact O-N 2.97Å; E30-R84 IonicContact OE1-CZ 2.82Å; E30-R84 IonicContact OE1-NH1 3.14Å; E30-R84 PolarHBondContact OE1-NH1 3.44Å; E30-R84 IonicContact OE1-NH2 3.84Å; E30-R84 PolarHBondContact OE1-NH2 3.47Å; E30-R84 IonicContact OE2-NH1 3.51Å; E30-R84 PolarHBondContact OE2-NH1 2.86Å; E30-R84 VanDerWaalsContact OE2-NH1 3.07Å; E30-R94 IonicContact OE2-CZ 3.77Å; E30-R94 IonicContact OE2-NH1 3.9Å; E30-R94 IonicContact OE2-NH2 2.66Å; E30-R94 PolarHBondContact OE2-NH2 3.34Å
31	E	89.3	Confident	92.2	Very high	133 Å²	133	62.6 Å²	62.6	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-50.7	-49.7	-178.4	-171.4	172.1	-165.5	0	0	114.1	E29 W33 A34 E35	E29-E31 PolarHBondContact O-N 3.25Å; E31-W33 PolarHBondContact O-N 2.96Å; E31-A34 PolarHBondContact O-N 2.68Å; E31-A34 VanDerWaalsContact O-N 3.12Å; E31-E35 WeakPolarHBondContact O-CB 3.39Å; E31-E35 PolarHBondContact O-N 2.99Å
32	K	91.6	Very high	92.2	Very high	172 Å²	172	62.7 Å²	62.7	75%	0.748	32%	0.324	S	S	*	.	H	α-helix	trans	-59.4	-30.3	177.1	-68.7	-179.8	179.7	174.5	0	113.2	E30 K36	E30-K32 PolarHBondContact O-N 2.94Å; K32-K36 WeakPolarHBondContact O-CG 3.49Å; K32-K36 PolarHBondContact O-N 3.42Å
33	W	93.5	Very high	92.1	Very high	33 Å²	33	66.9 Å²	66.9	13%	0.125	34%	0.341	C	S	.	.	H	α-helix	trans	-75.9	-44.2	177.1	171.9	86.3	0	0	0	110.6	E30 E31 K36 A37 I91 V95	E30-W33 HydrophobicContact CB-CB 4.14Å; E30-W33 WeakPolarHBondContact O-CA 3.45Å; E30-W33 WeakPolarHBondContact O-CB 3.38Å; E30-W33 PolarHBondContact O-N 3.37Å; E31-W33 PolarHBondContact O-N 2.96Å; W33-K36 PolarHBondContact O-N 3.31Å; W33-A37 PolarHBondContact O-N 3.35Å; W33-I91 HydrophobicContact CH2-CB 4.48Å; W33-I91 HydrophobicContact CH2-CG2 3.83Å; W33-I91 HydrophobicContact CZ2-CG1 4.31Å; W33-I91 HydrophobicContact CZ2-CG2 3.93Å; W33-V95 HydrophobicContact CH2-CG2 4.09Å; W33-V95 HydrophobicContact CZ3-CG2 3.68Å
34	A	94.7	Very high	92.1	Very high	3 Å²	3	67.3 Å²	67.3	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-41.7	177.1	0	0	0	0	0	111.9	L22 K25 E30 E31 K36 A37 V38 V95	L22-A34 HydrophobicContact CD2-CB 4.25Å; K25-A34 HydrophobicContact CD-CB 3.55Å; K25-A34 HydrophobicContact CG-CB 4.37Å; E30-A34 PolarHBondContact O-N 2.97Å; E31-A34 PolarHBondContact O-N 2.68Å; E31-A34 VanDerWaalsContact O-N 3.12Å; A34-K36 VanDerWaalsContact C-N 3.33Å; A34-K36 PolarHBondContact O-N 3.23Å; A34-A37 WeakPolarHBondContact O-CB 3.26Å; A34-A37 PolarHBondContact O-N 3.36Å; A34-A37 VanDerWaalsContact O-N 3.1Å; A34-V38 WeakPolarHBondContact O-CG2 3.45Å; A34-V38 PolarHBondContact O-N 3.29Å; A34-V95 HydrophobicContact CB-CG2 4.34Å
35	E	95.1	Very high	92.2	Very high	54 Å²	54	64 Å²	64	25%	0.252	31%	0.312	S	S	.	.	H	α-helix	trans	-55.5	-47.2	174.1	-174.5	-173.1	169.7	0	0	111.4	S12 T14 L22 E31 A37 V38 D39	S12-E35 PolarHBondContact OG-OE1 3.39Å; T14-E35 HydrophobicContact CG2-CG 3.9Å; T14-E35 WeakPolarHBondContact CG2-OE1 3.42Å; L22-E35 HydrophobicContact CD1-CB 4.15Å; L22-E35 HydrophobicContact CD1-CG 4.11Å; E31-E35 WeakPolarHBondContact O-CB 3.39Å; E31-E35 PolarHBondContact O-N 2.99Å; E35-A37 PolarHBondContact O-N 3.11Å; E35-V38 PolarHBondContact O-N 3.33Å; E35-D39 VanDerWaalsContact O-CB 3.28Å; E35-D39 WeakPolarHBondContact O-CB 3.26Å; E35-D39 PolarHBondContact O-N 2.97Å
36	K	95.1	Very high	92.1	Very high	106 Å²	106	68.9 Å²	68.9	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-36.6	175.7	-71.9	177.9	-179.4	178.9	0	112.9	K32 W33 A34 S40 V81 S82	K32-K36 WeakPolarHBondContact O-CG 3.49Å; K32-K36 PolarHBondContact O-N 3.42Å; W33-K36 PolarHBondContact O-N 3.31Å; A34-K36 VanDerWaalsContact C-N 3.33Å; A34-K36 PolarHBondContact O-N 3.23Å; K36-S40 WeakPolarHBondContact O-CB 3.26Å; K36-S40 PolarHBondContact O-N 3.32Å; K36-S40 VanDerWaalsContact O-N 3.11Å; K36-V81 HydrophobicContact CB-CG1 4.04Å; K36-S82 PolarHBondContact NZ-OG 3.29Å
37	A	95.6	Very high	92	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-50.3	176.9	0	0	0	0	0	110.7	W33 A34 E35 S40 L41 V81 I91 Y92 V95	W33-A37 PolarHBondContact O-N 3.35Å; A34-A37 WeakPolarHBondContact O-CB 3.26Å; A34-A37 PolarHBondContact O-N 3.36Å; A34-A37 VanDerWaalsContact O-N 3.1Å; E35-A37 PolarHBondContact O-N 3.11Å; A37-S40 PolarHBondContact O-N 3.37Å; A37-L41 PolarHBondContact O-N 3.16Å; A37-V81 HydrophobicContact CB-CG1 3.84Å; A37-V81 HydrophobicContact CB-CG2 4.23Å; A37-I91 HydrophobicContact CB-CG2 4.1Å; A37-Y92 HydrophobicContact CB-CE1 4.45Å; A37-Y92 PolarHBondContact O-OH 3.15Å; A37-V95 HydrophobicContact CB-CG2 4.5Å
38	V	96.9	Very high	92.1	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-42	-179.5	175.6	0	0	0	0	111	V18 L21 L22 A34 E35 S40 L41 V42 V95 W96	V18-V38 HydrophobicContact CB-CG1 4.4Å; V18-V38 HydrophobicContact CG1-CB 4.4Å; V18-V38 HydrophobicContact CG1-CG1 4.01Å; V18-V38 HydrophobicContact CG2-CG1 4.49Å; L21-V38 HydrophobicContact CB-CG1 3.56Å; L21-V38 HydrophobicContact CD1-CG1 3.9Å; L21-V38 HydrophobicContact CG-CG1 4.41Å; L22-V38 HydrophobicContact CD2-CB 4.26Å; L22-V38 HydrophobicContact CD2-CG2 3.86Å; L22-V38 HydrophobicContact CG-CB 4.48Å; L22-V38 HydrophobicContact CG-CG1 4.49Å; L22-V38 HydrophobicContact CG-CG2 4.44Å; A34-V38 WeakPolarHBondContact O-CG2 3.45Å; A34-V38 PolarHBondContact O-N 3.29Å; E35-V38 PolarHBondContact O-N 3.33Å; V38-S40 PolarHBondContact O-N 3.07Å; V38-L41 WeakPolarHBondContact O-CB 3.41Å; V38-L41 PolarHBondContact O-N 3.15Å; V38-L41 VanDerWaalsContact O-N 3.15Å; V38-V42 HydrophobicContact CG1-CG2 4.27Å; V38-V42 WeakPolarHBondContact O-CG2 3.48Å; V38-V42 PolarHBondContact O-N 3.04Å; V38-V95 HydrophobicContact CG2-CG1 4.11Å; V38-W96 HydrophobicContact CG2-CZ2 4.09Å
39	D	95.4	Very high	92.7	Very high	51 Å²	51	78.5 Å²	78.5	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-59.6	-45.1	175.4	178.3	68.2	0	0	0	112.3	V18 E35 L41 V42 K43	V18-D39 HydrophobicContact CG2-CB 4.15Å; E35-D39 VanDerWaalsContact O-CB 3.28Å; E35-D39 WeakPolarHBondContact O-CB 3.26Å; E35-D39 PolarHBondContact O-N 2.97Å; D39-L41 VanDerWaalsContact C-N 3.3Å; D39-L41 PolarHBondContact O-N 3.44Å; D39-V42 PolarHBondContact O-N 2.67Å; D39-K43 WeakPolarHBondContact O-CG 3.34Å; D39-K43 PolarHBondContact O-N 2.97Å; D39-K43 IonicContact OD1-NZ 3.15Å; D39-K43 VanDerWaalsContact OD2-CE 3.3Å; D39-K43 WeakPolarHBondContact OD2-CE 3.36Å; D39-K43 IonicContact OD2-NZ 3.72Å; D39-K43 PolarHBondContact OD2-NZ 2.73Å
40	S	93.9	Very high	93.5	Very high	33 Å²	33	72.1 Å²	72.1	23%	0.231	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-38.7	174.8	-174.3	0	0	0	0	112.1	K36 A37 V38 K44	K36-S40 WeakPolarHBondContact O-CB 3.26Å; K36-S40 PolarHBondContact O-N 3.32Å; K36-S40 VanDerWaalsContact O-N 3.11Å; A37-S40 PolarHBondContact O-N 3.37Å; V38-S40 PolarHBondContact O-N 3.07Å; S40-K44 WeakPolarHBondContact O-CG 3.32Å; S40-K44 PolarHBondContact O-N 2.98Å
41	L	96.5	Very high	94	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.6	-49.6	176.3	-175.5	61.1	0	0	0	112.2	A37 V38 D39 K43 K44 L45 L55 I71 Y92 W96 I126	A37-L41 PolarHBondContact O-N 3.16Å; V38-L41 WeakPolarHBondContact O-CB 3.41Å; V38-L41 PolarHBondContact O-N 3.15Å; V38-L41 VanDerWaalsContact O-N 3.15Å; D39-L41 VanDerWaalsContact C-N 3.3Å; D39-L41 PolarHBondContact O-N 3.44Å; L41-K43 PolarHBondContact O-N 2.93Å; L41-K44 CarbonylContact O-C 3.37Å; L41-K44 WeakPolarHBondContact O-CA 3.44Å; L41-K44 WeakPolarHBondContact O-CB 3.32Å; L41-K44 PolarHBondContact O-N 3.01Å; L41-L45 HydrophobicContact CD1-CD1 4Å; L41-L45 HydrophobicContact CD1-CD2 4.18Å; L41-L45 HydrophobicContact CD1-CG 3.85Å; L41-L45 HydrophobicContact CD2-CD1 4.01Å; L41-L45 HydrophobicContact CG-CD1 3.72Å; L41-L45 HydrophobicContact CG-CG 3.94Å; L41-L45 PolarHBondContact O-N 3.39Å; L41-L55 HydrophobicContact CD2-CD2 3.82Å; L41-I71 HydrophobicContact CD1-CG2 3.6Å; L41-Y92 HydrophobicContact CB-CE1 3.72Å; L41-Y92 WeakPolarHBondContact CB-OH 3.48Å; L41-Y92 HydrophobicContact CD1-CE1 4.31Å; L41-Y92 HydrophobicContact CD1-CE2 3.94Å; L41-Y92 HydrophobicContact CD2-CD1 3.87Å; L41-Y92 HydrophobicContact CD2-CE1 3.62Å; L41-Y92 HydrophobicContact CD2-CE2 4.44Å; L41-Y92 HydrophobicContact CD2-CG 4.41Å; L41-Y92 HydrophobicContact CG-CE1 4.07Å; L41-W96 HydrophobicContact CD2-CH2 3.43Å; L41-W96 VanDerWaalsContact CD2-CH2 3.43Å; L41-W96 HydrophobicContact CD2-CZ2 4.38Å; L41-W96 HydrophobicContact CD2-CZ3 4.19Å; L41-I126 HydrophobicContact CD1-CD1 4.18Å; L41-I126 HydrophobicContact CD1-CG1 4.16Å; L41-I126 HydrophobicContact CD2-CD1 3.97Å
42	V	96.1	Very high	94.3	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-56.3	-41.2	-178.3	169	0	0	0	0	110.4	A17 V18 L21 V38 D39 K44 L45 K46 M52	A17-V42 HydrophobicContact CB-CG1 4.19Å; V18-V42 HydrophobicContact CG2-CB 4.21Å; V18-V42 HydrophobicContact CG2-CG2 3.9Å; L21-V42 HydrophobicContact CD1-CG2 3.56Å; V38-V42 HydrophobicContact CG1-CG2 4.27Å; V38-V42 WeakPolarHBondContact O-CG2 3.48Å; V38-V42 PolarHBondContact O-N 3.04Å; D39-V42 PolarHBondContact O-N 2.67Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 3.38Å; V42-L45 PolarHBondContact O-N 3.45Å; V42-K46 HydrophobicContact CG1-CD 4.18Å; V42-K46 HydrophobicContact CG1-CG 4.42Å; V42-K46 WeakPolarHBondContact O-CB 3.4Å; V42-K46 VanDerWaalsContact O-CG 3.29Å; V42-K46 WeakPolarHBondContact O-CG 3.27Å; V42-K46 PolarHBondContact O-N 3.46Å; V42-M52 HydrophobicContact CB-SD 4.43Å; V42-M52 HydrophobicContact CG1-CE 4.31Å; V42-M52 HydrophobicContact CG1-SD 4.34Å; V42-M52 HydrophobicContact CG2-CE 3.99Å; V42-M52 HydrophobicContact CG2-SD 4.12Å
43	K	93.8	Very high	94.4	Very high	124 Å²	124	61.3 Å²	61.3	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-33.5	174.9	-72	167.9	178.7	164.4	0	113.1	D39 L41	D39-K43 WeakPolarHBondContact O-CG 3.34Å; D39-K43 PolarHBondContact O-N 2.97Å; D39-K43 IonicContact OD1-NZ 3.15Å; D39-K43 VanDerWaalsContact OD2-CE 3.3Å; D39-K43 WeakPolarHBondContact OD2-CE 3.36Å; D39-K43 IonicContact OD2-NZ 3.72Å; D39-K43 PolarHBondContact OD2-NZ 2.73Å; L41-K43 PolarHBondContact O-N 2.93Å
44	K	93.8	Very high	94.5	Very high	76 Å²	76	61 Å²	61	33%	0.33	29%	0.292	S	S	.	.	H	α-helix	trans	-77.4	-45.6	176.5	-67.6	170.6	-173.8	-73.3	0	111.4	S40 L41 V42 K46 K47 I71	S40-K44 WeakPolarHBondContact O-CG 3.32Å; S40-K44 PolarHBondContact O-N 2.98Å; L41-K44 CarbonylContact O-C 3.37Å; L41-K44 WeakPolarHBondContact O-CA 3.44Å; L41-K44 WeakPolarHBondContact O-CB 3.32Å; L41-K44 PolarHBondContact O-N 3.01Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 3.38Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-K46 PolarHBondContact O-N 2.84Å; K44-K47 WeakPolarHBondContact O-CB 3.31Å; K44-K47 PolarHBondContact O-N 2.75Å; K44-K47 VanDerWaalsContact O-N 3.15Å; K44-I71 HydrophobicContact CB-CG2 4.42Å; K44-I71 HydrophobicContact CD-CD1 4.49Å; K44-I71 HydrophobicContact CD-CG2 4.45Å
45	L	95.7	Very high	94.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-68.6	-30.3	-177.7	-63.6	-176.8	0	0	0	112.6	L41 V42 K47 K48 A51 M52 L55 V69 I71	L41-L45 HydrophobicContact CD1-CD1 4Å; L41-L45 HydrophobicContact CD1-CD2 4.18Å; L41-L45 HydrophobicContact CD1-CG 3.85Å; L41-L45 HydrophobicContact CD2-CD1 4.01Å; L41-L45 HydrophobicContact CG-CD1 3.72Å; L41-L45 HydrophobicContact CG-CG 3.94Å; L41-L45 PolarHBondContact O-N 3.39Å; V42-L45 PolarHBondContact O-N 3.45Å; L45-K47 PolarHBondContact O-N 2.78Å; L45-K48 CarbonylContact O-C 3.48Å; L45-K48 PolarHBondContact O-N 3Å; L45-A51 HydrophobicContact CB-CB 4.44Å; L45-A51 HydrophobicContact CD2-CB 4.04Å; L45-M52 HydrophobicContact CB-CG 3.75Å; L45-M52 HydrophobicContact CB-SD 3.6Å; L45-M52 VanDerWaalsContact CB-SD 3.6Å; L45-M52 HydrophobicContact CD1-SD 3.78Å; L45-M52 HydrophobicContact CG-SD 4.31Å; L45-L55 HydrophobicContact CD1-CB 4.39Å; L45-L55 HydrophobicContact CD1-CD2 3.56Å; L45-V69 HydrophobicContact CD1-CG1 4.12Å; L45-V69 HydrophobicContact CD2-CG1 3.83Å; L45-I71 HydrophobicContact CD2-CG2 4.14Å
46	K	92.9	Very high	94.7	Very high	139 Å²	139	59.8 Å²	59.8	60%	0.604	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.9	171.7	-80	177.6	177.3	-178.3	0	114.1	V42 K44	V42-K46 HydrophobicContact CG1-CD 4.18Å; V42-K46 HydrophobicContact CG1-CG 4.42Å; V42-K46 WeakPolarHBondContact O-CB 3.4Å; V42-K46 VanDerWaalsContact O-CG 3.29Å; V42-K46 WeakPolarHBondContact O-CG 3.27Å; V42-K46 PolarHBondContact O-N 3.46Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-K46 PolarHBondContact O-N 2.84Å
47	K	92.3	Very high	94.7	Very high	186 Å²	186	60 Å²	60	81%	0.809	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.8	175.9	-59.3	-177.8	178.4	-172.6	0	113.2	K44 L45	K44-K47 WeakPolarHBondContact O-CB 3.31Å; K44-K47 PolarHBondContact O-N 2.75Å; K44-K47 VanDerWaalsContact O-N 3.15Å; L45-K47 PolarHBondContact O-N 2.78Å
48	K	91.9	Very high	94.7	Very high	86 Å²	86	60.1 Å²	60.1	37%	0.374	28%	0.284	S	S	.	.	S	Bend	trans	-116.9	108.4	-178	-169.8	171.2	-174	166	0	109.3	L45 G50 A51 T70 E123	L45-K48 CarbonylContact O-C 3.48Å; L45-K48 PolarHBondContact O-N 3Å; K48-G50 PolarHBondContact O-N 3.02Å; K48-A51 HydrophobicContact CB-CB 3.86Å; K48-A51 HydrophobicContact CD-CB 4.2Å; K48-A51 HydrophobicContact CG-CB 3.98Å; K48-A51 WeakPolarHBondContact O-CB 3.21Å; K48-A51 PolarHBondContact O-N 3.28Å; K48-A51 VanDerWaalsContact O-N 3.13Å; K48-T70 PolarHBondContact NZ-OG1 3.42Å; K48-E123 IonicContact NZ-OE1 3.54Å; K48-E123 PolarHBondContact NZ-OE1 3.46Å; K48-E123 IonicContact NZ-OE2 2.72Å; K48-E123 PolarHBondContact NZ-OE2 2.94Å
49	K	91.9	Very high	94.7	Very high	214 Å²	214	60.2 Å²	60.2	93%	0.93	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.5	-177.5	-170.2	178.4	-179.6	-178.2	0	110.6	A51	K49-A51 VanDerWaalsContact C-N 3.26Å; K49-A51 PolarHBondContact O-N 3.08Å
50	G	92.6	Very high	94.8	Very high	37 Å²	37	61 Å²	61	38%	0.381	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-6.9	179.1	0	0	0	0	0	116.1	K48 M52 D53 E54	K48-G50 PolarHBondContact O-N 3.02Å; G50-M52 PolarHBondContact O-N 3.2Å; G50-D53 PolarHBondContact O-N 2.98Å; G50-E54 WeakPolarHBondContact O-CB 3.49Å; G50-E54 PolarHBondContact O-N 3.48Å
51	A	95	Very high	94.7	Very high	9 Å²	9	62.2 Å²	62.2	7%	0.074	30%	0.302	C	S	.	.	H	α-helix	trans	-71	-30.2	-177.9	0	0	0	0	0	113.3	L45 K48 K49 L55	L45-A51 HydrophobicContact CB-CB 4.44Å; L45-A51 HydrophobicContact CD2-CB 4.04Å; K48-A51 HydrophobicContact CB-CB 3.86Å; K48-A51 HydrophobicContact CD-CB 4.2Å; K48-A51 HydrophobicContact CG-CB 3.98Å; K48-A51 WeakPolarHBondContact O-CB 3.21Å; K48-A51 PolarHBondContact O-N 3.28Å; K48-A51 VanDerWaalsContact O-N 3.13Å; K49-A51 VanDerWaalsContact C-N 3.26Å; K49-A51 PolarHBondContact O-N 3.08Å; A51-L55 PolarHBondContact O-N 2.88Å; A51-L55 VanDerWaalsContact O-N 3.15Å
52	M	95.6	Very high	94.4	Very high	23 Å²	23	66 Å²	66	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-48.8	172.3	-79.7	-66.2	-60.4	0	0	111.2	A17 L21 V42 L45 G50 E54 L55 E56	A17-M52 HydrophobicContact CB-CE 3.86Å; L21-M52 HydrophobicContact CD1-CE 3.91Å; L21-M52 HydrophobicContact CD1-SD 4.46Å; V42-M52 HydrophobicContact CB-SD 4.43Å; V42-M52 HydrophobicContact CG1-CE 4.31Å; V42-M52 HydrophobicContact CG1-SD 4.34Å; V42-M52 HydrophobicContact CG2-CE 3.99Å; V42-M52 HydrophobicContact CG2-SD 4.12Å; L45-M52 HydrophobicContact CB-CG 3.75Å; L45-M52 HydrophobicContact CB-SD 3.6Å; L45-M52 VanDerWaalsContact CB-SD 3.6Å; L45-M52 HydrophobicContact CD1-SD 3.78Å; L45-M52 HydrophobicContact CG-SD 4.31Å; G50-M52 PolarHBondContact O-N 3.2Å; M52-E54 VanDerWaalsContact C-N 3.28Å; M52-E54 PolarHBondContact O-N 3.21Å; M52-L55 WeakPolarHBondContact O-CB 3.38Å; M52-L55 PolarHBondContact O-N 3.08Å; M52-L55 VanDerWaalsContact O-N 3.16Å; M52-E56 WeakPolarHBondContact O-CG 3.29Å; M52-E56 PolarHBondContact O-N 3.49Å
53	D	95.1	Very high	93.7	Very high	110 Å²	110	69.3 Å²	69.3	59%	0.588	36%	0.362	S	S	*	.	H	α-helix	trans	-63.1	-38.6	-179.5	-51.9	-50.6	0	0	0	111	G50 E56 R57	G50-D53 PolarHBondContact O-N 2.98Å; D53-E56 PolarHBondContact O-N 3.1Å; D53-R57 VanDerWaalsContact O-CB 3.3Å; D53-R57 WeakPolarHBondContact O-CB 3.36Å; D53-R57 PolarHBondContact O-N 2.76Å
54	E	95.8	Very high	93.6	Very high	26 Å²	26	69.6 Å²	69.6	12%	0.121	37%	0.365	C	S	.	.	H	α-helix	trans	-64.6	-39.4	175.7	-172.1	59.5	-149.4	0	0	112.4	G50 M52 R57 A58 K67 V69	G50-E54 WeakPolarHBondContact O-CB 3.49Å; G50-E54 PolarHBondContact O-N 3.48Å; M52-E54 VanDerWaalsContact C-N 3.28Å; M52-E54 PolarHBondContact O-N 3.21Å; E54-R57 PolarHBondContact O-N 2.81Å; E54-R57 IonicContact OE1-CZ 3.4Å; E54-R57 IonicContact OE1-NE 3.46Å; E54-R57 PolarHBondContact OE1-NE 3.38Å; E54-R57 IonicContact OE1-NH2 2.66Å; E54-R57 PolarHBondContact OE1-NH2 3.25Å; E54-R57 IonicContact OE2-CZ 3.39Å; E54-R57 IonicContact OE2-NE 3.16Å; E54-R57 PolarHBondContact OE2-NE 2.88Å; E54-R57 VanDerWaalsContact OE2-NE 3.16Å; E54-R57 IonicContact OE2-NH2 2.84Å; E54-R57 PolarHBondContact OE2-NH2 3.34Å; E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 3.39Å; E54-K67 HydrophobicContact CG-CB 3.98Å; E54-K67 WeakPolarHBondContact OE1-CB 3.16Å; E54-K67 PolarHBondContact OE1-N 3.19Å; E54-V69 HydrophobicContact CB-CG2 4.21Å; E54-V69 HydrophobicContact CG-CG2 3.9Å
55	L	96.9	Very high	93.6	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.5	-45.1	174.4	-179.7	61.7	0	0	0	111.5	L21 L41 L45 A51 M52 R57 A58 L59 V69 W96 I126	L21-L55 HydrophobicContact CD1-CD2 4.04Å; L21-L55 HydrophobicContact CD2-CD2 3.86Å; L21-L55 HydrophobicContact CD2-CG 4.05Å; L41-L55 HydrophobicContact CD2-CD2 3.82Å; L45-L55 HydrophobicContact CD1-CB 4.39Å; L45-L55 HydrophobicContact CD1-CD2 3.56Å; A51-L55 PolarHBondContact O-N 2.88Å; A51-L55 VanDerWaalsContact O-N 3.15Å; M52-L55 WeakPolarHBondContact O-CB 3.38Å; M52-L55 PolarHBondContact O-N 3.08Å; M52-L55 VanDerWaalsContact O-N 3.16Å; L55-R57 VanDerWaalsContact C-N 3.29Å; L55-R57 PolarHBondContact O-N 2.95Å; L55-A58 PolarHBondContact O-N 3.2Å; L55-L59 HydrophobicContact CD1-CD1 4.1Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.06Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 2.66Å; L55-V69 HydrophobicContact CB-CG1 4.1Å; L55-V69 HydrophobicContact CB-CG2 4.02Å; L55-V69 HydrophobicContact CD1-CG1 4.46Å; L55-V69 HydrophobicContact CD1-CG2 4.37Å; L55-W96 HydrophobicContact CD1-CH2 4.21Å; L55-W96 HydrophobicContact CD1-CZ3 4.08Å; L55-W96 HydrophobicContact CD2-CH2 3.81Å; L55-W96 HydrophobicContact CD2-CZ2 4.38Å; L55-W96 HydrophobicContact CD2-CZ3 4.45Å; L55-I126 HydrophobicContact CD1-CD1 4.13Å; L55-I126 HydrophobicContact CD2-CD1 4.48Å
56	E	95.9	Very high	93.5	Very high	32 Å²	32	72.3 Å²	72.3	15%	0.15	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-37.4	177.5	-71.1	-179.1	-158.7	0	0	111.7	R20 L21 W24 M52 D53 L59 S60	R20-E56 VanDerWaalsContact CD-OE2 3.26Å; R20-E56 WeakPolarHBondContact CD-OE2 3.17Å; R20-E56 IonicContact CZ-OE1 2.85Å; R20-E56 IonicContact CZ-OE2 3.3Å; R20-E56 IonicContact NE-OE2 3.82Å; R20-E56 IonicContact NH1-OE1 3.83Å; R20-E56 PolarHBondContact NH1-OE1 3.18Å; R20-E56 IonicContact NH1-OE2 2.85Å; R20-E56 PolarHBondContact NH1-OE2 2.79Å; L21-E56 HydrophobicContact CD2-CG 4.06Å; W24-E56 HydrophobicContact CH2-CB 4.42Å; W24-E56 HydrophobicContact CH2-CG 4.34Å; W24-E56 HydrophobicContact CZ3-CG 4.36Å; M52-E56 WeakPolarHBondContact O-CG 3.29Å; M52-E56 PolarHBondContact O-N 3.49Å; D53-E56 PolarHBondContact O-N 3.1Å; E56-L59 PolarHBondContact O-N 2.82Å; E56-S60 VanDerWaalsContact O-CB 3.25Å; E56-S60 WeakPolarHBondContact O-CB 3.35Å; E56-S60 PolarHBondContact O-N 3.01Å; E56-S60 PolarHBondContact O-OG 3.09Å
57	R	95.3	Very high	93.7	Very high	111 Å²	111	72.6 Å²	72.6	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-63.6	-46.1	172.7	-174.5	171.5	75.7	114.6	-3	111.9	D53 E54 L55 L59 S60 C61	D53-R57 VanDerWaalsContact O-CB 3.3Å; D53-R57 WeakPolarHBondContact O-CB 3.36Å; D53-R57 PolarHBondContact O-N 2.76Å; E54-R57 PolarHBondContact O-N 2.81Å; E54-R57 IonicContact OE1-CZ 3.4Å; E54-R57 IonicContact OE1-NE 3.46Å; E54-R57 PolarHBondContact OE1-NE 3.38Å; E54-R57 IonicContact OE1-NH2 2.66Å; E54-R57 PolarHBondContact OE1-NH2 3.25Å; E54-R57 IonicContact OE2-CZ 3.39Å; E54-R57 IonicContact OE2-NE 3.16Å; E54-R57 PolarHBondContact OE2-NE 2.88Å; E54-R57 VanDerWaalsContact OE2-NE 3.16Å; E54-R57 IonicContact OE2-NH2 2.84Å; E54-R57 PolarHBondContact OE2-NH2 3.34Å; L55-R57 VanDerWaalsContact C-N 3.29Å; L55-R57 PolarHBondContact O-N 2.95Å; R57-L59 VanDerWaalsContact C-N 3.34Å; R57-L59 PolarHBondContact O-N 2.87Å; R57-S60 PolarHBondContact O-N 3.31Å; R57-S60 PolarHBondContact O-OG 2.87Å; R57-C61 PolarHBondContact O-N 3.08Å
58	A	96.2	Very high	93.9	Very high	2 Å²	2	65 Å²	65	2%	0.017	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-40.7	178.2	0	0	0	0	0	112	E54 L55 Y129	E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 3.39Å; L55-A58 PolarHBondContact O-N 3.2Å; A58-Y129 HydrophobicContact CB-CD2 4.46Å; A58-Y129 VanDerWaalsContact O-CD2 3.27Å; A58-Y129 WeakPolarHBondContact O-CD2 3.42Å; A58-Y129 WeakPolarHBondContact O-CE2 3.15Å
59	L	96.8	Very high	94.2	Very high	3 Å²	3	61 Å²	61	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-73	-35.4	179.1	-66.4	176	0	0	0	113.4	L21 W24 L55 E56 R57 W96 P128 Y129	L21-L59 HydrophobicContact CD2-CD1 3.64Å; W24-L59 HydrophobicContact CB-CB 4.39Å; W24-L59 HydrophobicContact CB-CD1 4.44Å; W24-L59 HydrophobicContact CD2-CB 3.7Å; W24-L59 HydrophobicContact CD2-CD1 4.22Å; W24-L59 HydrophobicContact CE3-CB 3.95Å; W24-L59 HydrophobicContact CE3-CD1 3.74Å; W24-L59 HydrophobicContact CG-CB 3.9Å; W24-L59 HydrophobicContact CZ3-CD1 4.37Å; L55-L59 HydrophobicContact CD1-CD1 4.1Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.06Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 2.66Å; E56-L59 PolarHBondContact O-N 2.82Å; R57-L59 VanDerWaalsContact C-N 3.34Å; R57-L59 PolarHBondContact O-N 2.87Å; L59-W96 HydrophobicContact CD1-CD2 4.1Å; L59-W96 HydrophobicContact CD1-CG 4.34Å; L59-W96 HydrophobicContact CD1-CZ2 4.13Å; L59-W96 HydrophobicContact CD2-CB 3.86Å; L59-W96 HydrophobicContact CD2-CD2 3.93Å; L59-W96 HydrophobicContact CD2-CE3 4.29Å; L59-W96 HydrophobicContact CD2-CG 3.72Å; L59-P128 HydrophobicContact CD2-CG 3.88Å; L59-Y129 HydrophobicContact CD2-CE2 4.17Å
60	S	96.1	Very high	94.4	Very high	66 Å²	66	51 Å²	51	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-79.8	-20.8	179.4	59.6	0	0	0	0	114.1	E56 R57 P62	E56-S60 VanDerWaalsContact O-CB 3.25Å; E56-S60 WeakPolarHBondContact O-CB 3.35Å; E56-S60 PolarHBondContact O-N 3.01Å; E56-S60 PolarHBondContact O-OG 3.09Å; R57-S60 PolarHBondContact O-N 3.31Å; R57-S60 PolarHBondContact O-OG 2.87Å; S60-P62 VanDerWaalsContact C-CD 3.5Å; S60-P62 WeakPolarHBondContact O-CD 3.48Å
61	C	93.4	Very high	94.6	Very high	60 Å²	60	49.4 Å²	49.4	41%	0.405	28%	0.284	S	S	.	.	S	Bend	trans	-123.8	71.2	177.5	-60.9	0	0	0	0	112.2	R57 G63 Q64	R57-C61 PolarHBondContact O-N 3.08Å; C61-G63 PolarHBondContact O-N 3.38Å; C61-Q64 HydrophobicContact CB-CB 4.14Å; C61-Q64 HydrophobicContact CB-CG 4.06Å; C61-Q64 PolarHBondContact O-N 2.84Å
62	P	89.5	Confident	94.7	Very high	79 Å²	79	53.3 Å²	53.3	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	136.8	177.7	-22.9	32.9	0	0	0	112.2	S60 Q64 Y129	S60-P62 VanDerWaalsContact C-CD 3.5Å; S60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-Q64 PolarHBondContact O-N 3.37Å; P62-Y129 HydrophobicContact CB-CE1 3.72Å; P62-Y129 WeakPolarHBondContact CG-OH 3.44Å
63	G	80.9	Confident	94.6	Very high	72 Å²	72	55.8 Å²	55.8	74%	0.742	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-7	176.1	0	0	0	0	0	115.6	C61	C61-G63 PolarHBondContact O-N 3.38Å
64	Q	91.9	Very high	94.5	Very high	129 Å²	129	52.8 Å²	52.8	60%	0.603	31%	0.305	S	S	*	.	S	Bend	trans	-82	147.8	172.5	-68	-68.9	-18.6	0	0	111.4	C61 P62 S66	C61-Q64 HydrophobicContact CB-CB 4.14Å; C61-Q64 HydrophobicContact CB-CG 4.06Å; C61-Q64 PolarHBondContact O-N 2.84Å; P62-Q64 PolarHBondContact O-N 3.37Å; Q64-S66 PolarHBondContact O-N 2.99Å
65	P	93.1	Very high	94.2	Very high	113 Å²	113	60.9 Å²	60.9	73%	0.734	35%	0.348	S	S	*	.			trans	-55.7	126.7	172.7	-25.1	34.4	0	0	0	111.7
66	S	95.2	Very high	93.8	Very high	22 Å²	22	64.7 Å²	64.7	15%	0.154	37%	0.368	C	S	.	.			trans	-137	157.2	179.9	51.9	0	0	0	0	110.6	Q64 N127 H130	Q64-S66 PolarHBondContact O-N 2.99Å; S66-N127 PolarHBondContact OG-ND2 3.49Å; S66-H130 PolarHBondContact O-CE1 3.22Å; S66-H130 PolarHBondContact O-NE2 3.48Å
67	K	96	Very high	93.6	Very high	145 Å²	145	63.2 Å²	63.2	63%	0.63	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-77.9	163.5	177.6	-61.1	-179.9	177.3	179.5	0	110.5	E54 V69 N127 H130	E54-K67 HydrophobicContact CG-CB 3.98Å; E54-K67 WeakPolarHBondContact OE1-CB 3.16Å; E54-K67 PolarHBondContact OE1-N 3.19Å; K67-V69 PolarHBondContact O-N 3.42Å; K67-N127 PolarHBondContact O-ND2 3.13Å; K67-N127 VanDerWaalsContact O-ND2 3.11Å; K67-H130 PolarHBondContact O-CE1 3Å; K67-H130 VanDerWaalsContact O-CE1 3.29Å
68	C	97	Very high	93.4	Very high	26 Å²	26	63.8 Å²	63.8	18%	0.176	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-65	128.8	172.6	-72.9	0	0	0	0	109.7	T70 E114 F115 C125 H130	C68-T70 HydrophobicContact CB-CG2 3.97Å; C68-E114 PolarHBondContact SG-N 2.91Å; C68-F115 HydrophobicContact CB-CD2 3.75Å; C68-F115 HydrophobicContact CB-CE2 4.41Å; C68-C125 HydrophobicContact CB-CB 4.42Å; C68-H130 VanDerWaalsContact CA-CE1 3.47Å; C68-H130 WeakPolarHBondContact CA-CE1 3.43Å; C68-H130 PolarHBondContact N-CE1 2.95Å; C68-H130 VanDerWaalsContact N-CE1 3.32Å; C68-H130 VanDerWaalsContact SG-CE1 3.53Å; C68-H130 PolarHBondContact SG-ND1 2.75Å; C68-H130 VanDerWaalsContact SG-ND1 3.36Å
69	V	97.5	Very high	93.3	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.012	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-98.3	117	165.6	-178.6	0	0	0	0	106.6	L45 E54 L55 K67 C125 I126 N127	L45-V69 HydrophobicContact CD1-CG1 4.12Å; L45-V69 HydrophobicContact CD2-CG1 3.83Å; E54-V69 HydrophobicContact CB-CG2 4.21Å; E54-V69 HydrophobicContact CG-CG2 3.9Å; L55-V69 HydrophobicContact CB-CG1 4.1Å; L55-V69 HydrophobicContact CB-CG2 4.02Å; L55-V69 HydrophobicContact CD1-CG1 4.46Å; L55-V69 HydrophobicContact CD1-CG2 4.37Å; K67-V69 PolarHBondContact O-N 3.42Å; V69-C125 CarbonylContact O-C 3.56Å; V69-C125 VanDerWaalsContact O-CA 3.31Å; V69-C125 WeakPolarHBondContact O-CA 3.49Å; V69-I126 HydrophobicContact CB-CD1 3.97Å; V69-I126 HydrophobicContact CB-CG1 4.49Å; V69-I126 HydrophobicContact CG1-CD1 3.5Å; V69-I126 HydrophobicContact CG1-CG1 4.11Å; V69-I126 WeakPolarHBondContact O-CG1 3.28Å; V69-I126 PolarHBondContact O-N 3.4Å; V69-N127 HydrophobicContact CB-CB 4.23Å; V69-N127 HydrophobicContact CG2-CB 4.26Å
70	T	97.3	Very high	93.1	Very high	5 Å²	5	69.8 Å²	69.8	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.2	-170.7	63.5	0	0	0	0	113.9	K48 C68 F115 E123 V124 C125	K48-T70 PolarHBondContact NZ-OG1 3.42Å; C68-T70 HydrophobicContact CB-CG2 3.97Å; T70-F115 HydrophobicContact CG2-CB 3.81Å; T70-F115 HydrophobicContact CG2-CD1 4.4Å; T70-F115 HydrophobicContact CG2-CD2 3.75Å; T70-F115 HydrophobicContact CG2-CE2 4.48Å; T70-F115 HydrophobicContact CG2-CG 3.72Å; T70-E123 HydrophobicContact CG2-CB 4.37Å; T70-E123 VanDerWaalsContact OG1-CD 3.26Å; T70-E123 PolarHBondContact OG1-OE1 3.1Å; T70-V124 CarbonylContact C-O 3.58Å; T70-V124 WeakPolarHBondContact CA-O 3.2Å; T70-C125 HydrophobicContact CG2-CB 4.49Å
71	I	96.7	Very high	92.9	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.9	167	66.9	171.3	0	0	0	111	L41 K44 L45 L79 P88 Y92 E123 V124 I126	L41-I71 HydrophobicContact CD1-CG2 3.6Å; K44-I71 HydrophobicContact CB-CG2 4.42Å; K44-I71 HydrophobicContact CD-CD1 4.49Å; K44-I71 HydrophobicContact CD-CG2 4.45Å; L45-I71 HydrophobicContact CD2-CG2 4.14Å; I71-L79 HydrophobicContact CD1-CD2 4.48Å; I71-P88 HydrophobicContact CD1-CB 3.71Å; I71-P88 HydrophobicContact CD1-CG 4.06Å; I71-P88 HydrophobicContact CG1-CB 4.37Å; I71-Y92 HydrophobicContact CD1-CE2 4.34Å; I71-E123 CarbonylContact O-C 3.56Å; I71-E123 WeakPolarHBondContact O-CA 3.48Å; I71-V124 PolarHBondContact N-O 3.39Å; I71-V124 PolarHBondContact O-N 3.48Å; I71-I126 HydrophobicContact CD1-CG2 4.12Å; I71-I126 HydrophobicContact CG1-CG2 3.97Å; I71-I126 HydrophobicContact CG2-CG1 4.29Å
72	P	95.7	Very high	92.7	Very high	92 Å²	92	66 Å²	66	60%	0.597	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	137.3	174	-23.8	34	0	0	0	112.5
73	R	95	Very high	92.4	Very high	74 Å²	74	70.8 Å²	70.8	28%	0.279	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-75.6	132	174	-167.3	-179.6	-179	119.4	-0.1	110.3	F117 K120 Q121 K122 V124	R73-F117 PolarHBondContact NH1-O 2.95Å; R73-K120 VanDerWaalsContact NH1-CA 3.33Å; R73-Q121 WeakPolarHBondContact CD-O 2.81Å; R73-K122 WeakPolarHBondContact CB-O 3.04Å; R73-K122 PolarHBondContact N-O 3.08Å; R73-V124 HydrophobicContact CB-CG2 3.97Å; R73-V124 HydrophobicContact CG-CG2 3.99Å
74	S	93.4	Very high	92.7	Very high	48 Å²	48	73 Å²	73	34%	0.336	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-76.7	164.4	170.3	55.2	0	0	0	0	111.5	D76 G77 R78	S74-D76 VanDerWaalsContact C-N 3.28Å; S74-D76 PolarHBondContact O-N 2.9Å; S74-D76 PolarHBondContact OG-OD1 3.16Å; S74-G77 PolarHBondContact O-N 2.99Å; S74-G77 WeakPolarHBondContact OG-CA 3.33Å; S74-G77 PolarHBondContact OG-N 3.39Å; S74-R78 PolarHBondContact OG-N 3.45Å; S74-R78 PolarHBondContact OG-O 2.86Å
75	L	89.6	Confident	92.6	Very high	196 Å²	196	72.8 Å²	72.8	100%	1.026	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.1	179.8	-65.3	175.1	0	0	0	113
76	D	87.8	Confident	92.6	Very high	79 Å²	79	68.4 Å²	68.4	42%	0.422	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5	176.6	76.6	-19.9	0	0	0	113	S74 R78	S74-D76 VanDerWaalsContact C-N 3.28Å; S74-D76 PolarHBondContact O-N 2.9Å; S74-D76 PolarHBondContact OG-OD1 3.16Å; D76-R78 PolarHBondContact O-N 2.9Å; D76-R78 VanDerWaalsContact O-N 3.14Å; D76-R78 PolarHBondContact OD1-N 3.07Å; D76-R78 IonicContact OD2-CZ 3.42Å; D76-R78 VanDerWaalsContact OD2-CZ 3.3Å; D76-R78 IonicContact OD2-NE 2.76Å; D76-R78 PolarHBondContact OD2-NE 3.49Å; D76-R78 IonicContact OD2-NH2 3.55Å; D76-R78 PolarHBondContact OD2-NH2 2.88Å
77	G	90.6	Very high	92.5	Very high	2 Å²	2	69 Å²	69	2%	0.021	34%	0.341	C	S	.	.	S	Bend	trans	69.1	-0.6	-178	0	0	0	0	0	115.6	S74 P88 F117	S74-G77 PolarHBondContact O-N 2.99Å; S74-G77 WeakPolarHBondContact OG-CA 3.33Å; S74-G77 PolarHBondContact OG-N 3.39Å; G77-P88 WeakPolarHBondContact O-CD 3.36Å; G77-F117 WeakPolarHBondContact O-CE2 3.48Å
78	R	92.2	Very high	92.6	Very high	122 Å²	122	62.3 Å²	62.3	46%	0.46	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-100.4	144.4	-177.9	-63.8	-178.6	-63.6	-169	-4.4	112.3	S74 D76 G86 L87	S74-R78 PolarHBondContact OG-N 3.45Å; S74-R78 PolarHBondContact OG-O 2.86Å; D76-R78 PolarHBondContact O-N 2.9Å; D76-R78 VanDerWaalsContact O-N 3.14Å; D76-R78 PolarHBondContact OD1-N 3.07Å; D76-R78 IonicContact OD2-CZ 3.42Å; D76-R78 VanDerWaalsContact OD2-CZ 3.3Å; D76-R78 IonicContact OD2-NE 2.76Å; D76-R78 PolarHBondContact OD2-NE 3.49Å; D76-R78 IonicContact OD2-NH2 3.55Å; D76-R78 PolarHBondContact OD2-NH2 2.88Å; R78-G86 CarbonylContact C-O 3.57Å; R78-G86 WeakPolarHBondContact CA-O 2.89Å; R78-L87 HydrophobicContact CG-CD2 3.99Å
79	L	93.8	Very high	92.6	Very high	18 Å²	18	61.5 Å²	61.5	9%	0.094	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	171.3	-179.7	66.8	0	0	0	109.6	I71 V81 K85 G86 P88 I91 Y92	I71-L79 HydrophobicContact CD1-CD2 4.48Å; L79-V81 HydrophobicContact CD2-CG2 4.19Å; L79-V81 HydrophobicContact CG-CG2 4.21Å; L79-K85 WeakPolarHBondContact O-CA 3.13Å; L79-G86 PolarHBondContact N-O 3.4Å; L79-G86 PolarHBondContact O-N 2.98Å; L79-P88 HydrophobicContact CB-CG 4.08Å; L79-I91 HydrophobicContact CB-CD1 4.02Å; L79-I91 HydrophobicContact CD2-CD1 4.18Å; L79-I91 HydrophobicContact CG-CD1 4.38Å; L79-Y92 HydrophobicContact CD2-CE2 4.04Å; L79-Y92 VanDerWaalsContact CD2-OH 3.31Å; L79-Y92 WeakPolarHBondContact CD2-OH 3.23Å
80	Q	92.9	Very high	92.5	Very high	114 Å²	114	62.2 Å²	62.2	53%	0.533	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.2	171.9	-174.5	169.2	-16.2	0	0	110.3	S82 R84 K85	Q80-S82 PolarHBondContact NE2-O 3.47Å; Q80-R84 WeakPolarHBondContact CA-O 3.42Å; Q80-K85 HydrophobicContact CB-CG 4.1Å; Q80-K85 HydrophobicContact CG-CG 4.2Å
81	V	91.8	Very high	92.5	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	110.4	172.8	-179.1	0	0	0	0	107.6	K36 A37 L79 H83 R84 I91	K36-V81 HydrophobicContact CB-CG1 4.04Å; A37-V81 HydrophobicContact CB-CG1 3.84Å; A37-V81 HydrophobicContact CB-CG2 4.23Å; L79-V81 HydrophobicContact CD2-CG2 4.19Å; L79-V81 HydrophobicContact CG-CG2 4.21Å; V81-H83 PolarHBondContact O-N 3.08Å; V81-R84 PolarHBondContact N-O 3.46Å; V81-R84 PolarHBondContact O-N 2.93Å; V81-I91 HydrophobicContact CG2-CD1 4.14Å
82	S	88.5	Confident	92.5	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-119.1	-171.2	-156.2	0	0	0	0	111.4	K36 Q80	K36-S82 PolarHBondContact NZ-OG 3.29Å; Q80-S82 PolarHBondContact NE2-O 3.47Å
83	H	84.3	Confident	92.6	Very high	179 Å²	179	58 Å²	58	83%	0.829	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.4	-179.9	-54.3	-69.6	0	0	0	113.2	V81	V81-H83 PolarHBondContact O-N 3.08Å
84	R	86.3	Confident	92.6	Very high	120 Å²	120	58 Å²	58	45%	0.453	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.4	-177.2	-61.4	-176.5	-177.7	178.2	-0.9	110.6	E30 Q80 V81	E30-R84 IonicContact OE1-CZ 2.82Å; E30-R84 IonicContact OE1-NH1 3.14Å; E30-R84 PolarHBondContact OE1-NH1 3.44Å; E30-R84 IonicContact OE1-NH2 3.84Å; E30-R84 PolarHBondContact OE1-NH2 3.47Å; E30-R84 IonicContact OE2-NH1 3.51Å; E30-R84 PolarHBondContact OE2-NH1 2.86Å; E30-R84 VanDerWaalsContact OE2-NH1 3.07Å; Q80-R84 WeakPolarHBondContact CA-O 3.42Å; V81-R84 PolarHBondContact N-O 3.46Å; V81-R84 PolarHBondContact O-N 2.93Å
85	K	90	Very high	92.7	Very high	124 Å²	124	55.9 Å²	55.9	54%	0.539	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.6	169.5	-71.2	-171.4	177.1	-174.8	0	109	L79 Q80	L79-K85 WeakPolarHBondContact O-CA 3.13Å; Q80-K85 HydrophobicContact CB-CG 4.1Å; Q80-K85 HydrophobicContact CG-CG 4.2Å
86	G	92.2	Very high	93.1	Very high	21 Å²	21	46.6 Å²	46.6	22%	0.216	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	171.7	179.5	0	0	0	0	0	111.7	R78 L79	R78-G86 CarbonylContact C-O 3.57Å; R78-G86 WeakPolarHBondContact CA-O 2.89Å; L79-G86 PolarHBondContact N-O 3.4Å; L79-G86 PolarHBondContact O-N 2.98Å
87	L	95.1	Very high	93.5	Very high	34 Å²	34	46.4 Å²	46.4	18%	0.178	21%	0.212	C	C	.	.			trans	-79.9	134.9	177.7	-62.2	174.6	0	0	0	109.7	R78 H89 V90 I91 H104 F117	R78-L87 HydrophobicContact CG-CD2 3.99Å; L87-H89 PolarHBondContact O-N 3.4Å; L87-V90 HydrophobicContact CB-CB 4.2Å; L87-V90 HydrophobicContact CB-CG2 3.87Å; L87-V90 HydrophobicContact CD1-CG2 4.38Å; L87-V90 PolarHBondContact O-N 2.86Å; L87-V90 VanDerWaalsContact O-N 3.13Å; L87-I91 WeakPolarHBondContact O-CG1 3.33Å; L87-I91 PolarHBondContact O-N 3.15Å; L87-H104 HydrophobicContact CD1-CB 3.71Å; L87-F117 HydrophobicContact CD1-CE1 4.27Å; L87-F117 HydrophobicContact CD2-CE1 4Å; L87-F117 HydrophobicContact CD2-CE2 3.94Å; L87-F117 HydrophobicContact CD2-CZ 3.45Å; L87-F117 VanDerWaalsContact CD2-CZ 3.45Å; L87-F117 HydrophobicContact CG-CZ 4.47Å
88	P	96.3	Very high	93.7	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.032	22%	0.218	C	C	.	.	H	α-helix	trans	-53.4	-51.3	-174.1	-27.3	31.3	0	0	0	114.3	I71 G77 L79 V90 I91 Y92 V124 I126	I71-P88 HydrophobicContact CD1-CB 3.71Å; I71-P88 HydrophobicContact CD1-CG 4.06Å; I71-P88 HydrophobicContact CG1-CB 4.37Å; G77-P88 WeakPolarHBondContact O-CD 3.36Å; L79-P88 HydrophobicContact CB-CG 4.08Å; P88-V90 VanDerWaalsContact C-N 3.3Å; P88-V90 PolarHBondContact O-N 2.87Å; P88-I91 PolarHBondContact O-N 3.34Å; P88-Y92 HydrophobicContact CB-CE2 4.48Å; P88-Y92 WeakPolarHBondContact O-CD2 3.24Å; P88-Y92 PolarHBondContact O-N 3.37Å; P88-Y92 VanDerWaalsContact O-N 3.08Å; P88-V124 HydrophobicContact CB-CG1 4.36Å; P88-I126 HydrophobicContact CB-CG2 3.85Å
89	H	96.8	Very high	93.8	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-37.7	-179.5	65.1	-73.5	0	0	0	112.2	L87 C93 F117 Y131	L87-H89 PolarHBondContact O-N 3.4Å; H89-C93 VanDerWaalsContact O-CB 3.23Å; H89-C93 WeakPolarHBondContact O-CB 3.37Å; H89-C93 PolarHBondContact O-N 3.31Å; H89-C93 PolarHBondContact O-SG 2.83Å; H89-F117 WeakPolarHBondContact CE1-CB 3.46Å; H89-F117 AromaticContact CE1-CD1 3.53Å; H89-F117 AromaticContact CE1-CD2 3.78Å; H89-F117 AromaticContact CE1-CG 3.25Å; H89-F117 WeakPolarHBondContact CE1-CG 3.49Å; H89-F117 WeakPolarHBondContact ND1-CB 3.28Å; H89-F117 AromaticContact ND1-CD2 3.58Å; H89-F117 AromaticContact ND1-CG 3.41Å; H89-F117 WeakPolarHBondContact ND1-CG 3.41Å; H89-Y131 HydrophobicContact CB-CE1 4.2Å; H89-Y131 HydrophobicContact CB-CE2 3.84Å; H89-Y131 WeakPolarHBondContact CB-OH 3.35Å; H89-Y131 AromaticContact CD2-CE1 3.95Å
90	V	96.7	Very high	93.7	Very high	18 Å²	18	48.1 Å²	48.1	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-47.4	174.6	-180	0	0	0	0	111	L87 P88 Y92 C93 R94 L101 H104 L107	L87-V90 HydrophobicContact CB-CB 4.2Å; L87-V90 HydrophobicContact CB-CG2 3.87Å; L87-V90 HydrophobicContact CD1-CG2 4.38Å; L87-V90 PolarHBondContact O-N 2.86Å; L87-V90 VanDerWaalsContact O-N 3.13Å; P88-V90 VanDerWaalsContact C-N 3.3Å; P88-V90 PolarHBondContact O-N 2.87Å; V90-Y92 VanDerWaalsContact C-N 3.31Å; V90-Y92 PolarHBondContact O-N 3.44Å; V90-C93 PolarHBondContact O-N 3.14Å; V90-R94 WeakPolarHBondContact O-CB 3.41Å; V90-R94 PolarHBondContact O-N 2.96Å; V90-L101 HydrophobicContact CB-CD2 4.48Å; V90-L101 HydrophobicContact CG1-CD2 3.81Å; V90-L101 HydrophobicContact CG1-CG 4.27Å; V90-H104 HydrophobicContact CG2-CB 3.52Å; V90-L107 HydrophobicContact CG2-CD1 4.31Å
91	I	96.3	Very high	93.7	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-54.4	-50.5	179.6	-71	165.6	0	0	0	110	W33 A37 L79 V81 L87 P88 R94 V95	W33-I91 HydrophobicContact CH2-CB 4.48Å; W33-I91 HydrophobicContact CH2-CG2 3.83Å; W33-I91 HydrophobicContact CZ2-CG1 4.31Å; W33-I91 HydrophobicContact CZ2-CG2 3.93Å; A37-I91 HydrophobicContact CB-CG2 4.1Å; L79-I91 HydrophobicContact CB-CD1 4.02Å; L79-I91 HydrophobicContact CD2-CD1 4.18Å; L79-I91 HydrophobicContact CG-CD1 4.38Å; V81-I91 HydrophobicContact CG2-CD1 4.14Å; L87-I91 WeakPolarHBondContact O-CG1 3.33Å; L87-I91 PolarHBondContact O-N 3.15Å; P88-I91 PolarHBondContact O-N 3.34Å; I91-R94 WeakPolarHBondContact O-CB 3.25Å; I91-R94 PolarHBondContact O-N 3.3Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.41Å; I91-V95 PolarHBondContact O-N 2.95Å
92	Y	97.3	Very high	93.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-80.2	-32.1	-173.6	-65.4	-57.1	0	0	0	113.5	A37 L41 I71 L79 P88 V90 R94 V95 W96 I126	A37-Y92 HydrophobicContact CB-CE1 4.45Å; A37-Y92 PolarHBondContact O-OH 3.15Å; L41-Y92 HydrophobicContact CB-CE1 3.72Å; L41-Y92 WeakPolarHBondContact CB-OH 3.48Å; L41-Y92 HydrophobicContact CD1-CE1 4.31Å; L41-Y92 HydrophobicContact CD1-CE2 3.94Å; L41-Y92 HydrophobicContact CD2-CD1 3.87Å; L41-Y92 HydrophobicContact CD2-CE1 3.62Å; L41-Y92 HydrophobicContact CD2-CE2 4.44Å; L41-Y92 HydrophobicContact CD2-CG 4.41Å; L41-Y92 HydrophobicContact CG-CE1 4.07Å; I71-Y92 HydrophobicContact CD1-CE2 4.34Å; L79-Y92 HydrophobicContact CD2-CE2 4.04Å; L79-Y92 VanDerWaalsContact CD2-OH 3.31Å; L79-Y92 WeakPolarHBondContact CD2-OH 3.23Å; P88-Y92 HydrophobicContact CB-CE2 4.48Å; P88-Y92 WeakPolarHBondContact O-CD2 3.24Å; P88-Y92 PolarHBondContact O-N 3.37Å; P88-Y92 VanDerWaalsContact O-N 3.08Å; V90-Y92 VanDerWaalsContact C-N 3.31Å; V90-Y92 PolarHBondContact O-N 3.44Å; Y92-R94 VanDerWaalsContact C-N 3.26Å; Y92-R94 PolarHBondContact O-N 3.42Å; Y92-V95 PolarHBondContact O-N 2.66Å; Y92-W96 AromaticContact CD1-CH2 3.81Å; Y92-W96 HydrophobicContact CD1-CH2 3.81Å; Y92-W96 AromaticContact CD1-CZ3 3.74Å; Y92-W96 HydrophobicContact CD1-CZ3 3.74Å; Y92-W96 HydrophobicContact CG-CH2 4.37Å; Y92-W96 AromaticContact CG-CZ3 3.87Å; Y92-W96 HydrophobicContact CG-CZ3 3.87Å; Y92-W96 PolarHBondContact O-N 2.92Å; Y92-W96 VanDerWaalsContact O-N 3.16Å; Y92-I126 HydrophobicContact CD2-CB 3.55Å; Y92-I126 HydrophobicContact CD2-CG1 4.18Å; Y92-I126 HydrophobicContact CD2-CG2 3.56Å; Y92-I126 HydrophobicContact CE2-CB 4.29Å; Y92-I126 HydrophobicContact CE2-CG2 3.98Å; Y92-I126 HydrophobicContact CG-CB 4.21Å
93	C	97.3	Very high	93.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-37.6	166.9	-69.9	0	0	0	0	111.5	H89 V90 R97 W98 L101 L107	H89-C93 VanDerWaalsContact O-CB 3.23Å; H89-C93 WeakPolarHBondContact O-CB 3.37Å; H89-C93 PolarHBondContact O-N 3.31Å; H89-C93 PolarHBondContact O-SG 2.83Å; V90-C93 PolarHBondContact O-N 3.14Å; C93-R97 WeakPolarHBondContact O-CA 3.01Å; C93-R97 PolarHBondContact O-N 3.12Å; C93-W98 HydrophobicContact CB-CE3 4.02Å; C93-W98 HydrophobicContact CB-CZ3 4.16Å; C93-W98 PolarHBondContact O-N 3.2Å; C93-L101 HydrophobicContact CB-CD2 3.93Å; C93-L107 HydrophobicContact CB-CD1 3.94Å
94	R	95.8	Very high	94	Very high	74 Å²	74	40.3 Å²	40.3	28%	0.279	19%	0.19	S	C	.	.	H	α-helix	trans	-66.8	-41.3	177.2	-173.1	173.5	-179.9	-153.5	-16.7	112.5	E30 V90 I91 Y92 W98 P99 L101	E30-R94 IonicContact OE2-CZ 3.77Å; E30-R94 IonicContact OE2-NH1 3.9Å; E30-R94 IonicContact OE2-NH2 2.66Å; E30-R94 PolarHBondContact OE2-NH2 3.34Å; V90-R94 WeakPolarHBondContact O-CB 3.41Å; V90-R94 PolarHBondContact O-N 2.96Å; I91-R94 WeakPolarHBondContact O-CB 3.25Å; I91-R94 PolarHBondContact O-N 3.3Å; Y92-R94 VanDerWaalsContact C-N 3.26Å; Y92-R94 PolarHBondContact O-N 3.42Å; R94-W98 VanDerWaalsContact CA-O 3.31Å; R94-W98 WeakPolarHBondContact CA-O 3.31Å; R94-W98 WeakPolarHBondContact CG-O 3.42Å; R94-W98 CarbonylContact O-C 3.54Å; R94-P99 WeakPolarHBondContact CG-O 3.46Å; R94-P99 PolarHBondContact NE-O 2.85Å; R94-P99 WeakPolarHBondContact O-CA 3.39Å; R94-L101 HydrophobicContact CB-CB 4.3Å; R94-L101 HydrophobicContact CB-CD2 4.43Å; R94-L101 WeakPolarHBondContact CD-O 3.2Å; R94-L101 HydrophobicContact CG-CB 4.4Å
95	V	96.4	Very high	94.4	Very high	3 Å²	3	36 Å²	36	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-43.7	177.9	170.7	0	0	0	0	111.8	K25 Q26 W33 A34 A37 V38 I91 Y92	K25-V95 CarbonylContact C-O 3.58Å; K25-V95 WeakPolarHBondContact CA-O 3.49Å; K25-V95 HydrophobicContact CG-CG1 4.17Å; K25-V95 WeakPolarHBondContact CG-O 3.39Å; Q26-V95 PolarHBondContact N-O 3.49Å; W33-V95 HydrophobicContact CH2-CG2 4.09Å; W33-V95 HydrophobicContact CZ3-CG2 3.68Å; A34-V95 HydrophobicContact CB-CG2 4.34Å; A37-V95 HydrophobicContact CB-CG2 4.5Å; V38-V95 HydrophobicContact CG2-CG1 4.11Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.41Å; I91-V95 PolarHBondContact O-N 2.95Å; Y92-V95 PolarHBondContact O-N 2.66Å
96	W	97.1	Very high	94.6	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-110.6	-8.4	-167.7	-65.6	-58.1	0	0	0	116.6	L21 Q26 V38 L41 L55 L59 Y92 I126 P128	L21-W96 HydrophobicContact CB-CZ2 4.43Å; L21-W96 PolarHBondContact O-NE1 3.12Å; Q26-W96 WeakPolarHBondContact CG-O 3.37Å; V38-W96 HydrophobicContact CG2-CZ2 4.09Å; L41-W96 HydrophobicContact CD2-CH2 3.43Å; L41-W96 VanDerWaalsContact CD2-CH2 3.43Å; L41-W96 HydrophobicContact CD2-CZ2 4.38Å; L41-W96 HydrophobicContact CD2-CZ3 4.19Å; L55-W96 HydrophobicContact CD1-CH2 4.21Å; L55-W96 HydrophobicContact CD1-CZ3 4.08Å; L55-W96 HydrophobicContact CD2-CH2 3.81Å; L55-W96 HydrophobicContact CD2-CZ2 4.38Å; L55-W96 HydrophobicContact CD2-CZ3 4.45Å; L59-W96 HydrophobicContact CD1-CD2 4.1Å; L59-W96 HydrophobicContact CD1-CG 4.34Å; L59-W96 HydrophobicContact CD1-CZ2 4.13Å; L59-W96 HydrophobicContact CD2-CB 3.86Å; L59-W96 HydrophobicContact CD2-CD2 3.93Å; L59-W96 HydrophobicContact CD2-CE3 4.29Å; L59-W96 HydrophobicContact CD2-CG 3.72Å; Y92-W96 AromaticContact CD1-CH2 3.81Å; Y92-W96 HydrophobicContact CD1-CH2 3.81Å; Y92-W96 AromaticContact CD1-CZ3 3.74Å; Y92-W96 HydrophobicContact CD1-CZ3 3.74Å; Y92-W96 HydrophobicContact CG-CH2 4.37Å; Y92-W96 AromaticContact CG-CZ3 3.87Å; Y92-W96 HydrophobicContact CG-CZ3 3.87Å; Y92-W96 PolarHBondContact O-N 2.92Å; Y92-W96 VanDerWaalsContact O-N 3.16Å; W96-I126 HydrophobicContact CZ3-CD1 4.48Å; W96-P128 HydrophobicContact CB-CG 4.14Å; W96-P128 HydrophobicContact CE3-CG 4.06Å
97	R	95.6	Very high	94.9	Very high	75 Å²	75	30.2 Å²	30.2	28%	0.283	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-50	-178.2	-67	-172.1	70.7	-167.4	0.8	114	C93 P128 Y129 Y131	C93-R97 WeakPolarHBondContact O-CA 3.01Å; C93-R97 PolarHBondContact O-N 3.12Å; R97-P128 VanDerWaalsContact CD-O 3.26Å; R97-P128 WeakPolarHBondContact CD-O 3.34Å; R97-P128 HydrophobicContact CG-CB 3.91Å; R97-P128 HydrophobicContact CG-CG 4.41Å; R97-P128 PolarHBondContact NH1-O 3.42Å; R97-Y129 HydrophobicContact CG-CE1 4.43Å; R97-Y131 PolarHBondContact NH1-O 3.14Å
98	W	95.8	Very high	94.9	Very high	39 Å²	39	33.1 Å²	33.1	15%	0.148	16%	0.156	C	C	.	.			trans	-131.1	84.2	-169.6	-57.8	-59.4	0	0	0	111.2	C93 R94 D100 L101 L107 R133	C93-W98 HydrophobicContact CB-CE3 4.02Å; C93-W98 HydrophobicContact CB-CZ3 4.16Å; C93-W98 PolarHBondContact O-N 3.2Å; R94-W98 VanDerWaalsContact CA-O 3.31Å; R94-W98 WeakPolarHBondContact CA-O 3.31Å; R94-W98 WeakPolarHBondContact CG-O 3.42Å; R94-W98 CarbonylContact O-C 3.54Å; W98-D100 PolarHBondContact O-N 3.22Å; W98-D100 VanDerWaalsContact O-N 3.13Å; W98-L101 HydrophobicContact CB-CB 3.96Å; W98-L101 WeakPolarHBondContact O-CB 3.5Å; W98-L101 PolarHBondContact O-N 2.85Å; W98-L107 HydrophobicContact CE3-CD2 3.62Å; W98-L107 HydrophobicContact CH2-CD2 4.15Å; W98-L107 HydrophobicContact CZ3-CD2 3.27Å; W98-R133 HydrophobicContact CD2-CB 4.19Å; W98-R133 HydrophobicContact CH2-CB 3.99Å; W98-R133 HydrophobicContact CZ2-CB 3.58Å; W98-R133 HydrophobicContact CZ3-CB 4.48Å
99	P	93.8	Very high	94.9	Very high	50 Å²	50	36 Å²	36	33%	0.325	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.5	-178.3	-26.7	35.9	0	0	0	114.2	Q26 R94 L101	Q26-P99 VanDerWaalsContact C-CG 3.47Å; Q26-P99 HydrophobicContact CB-CG 3.42Å; Q26-P99 VanDerWaalsContact CB-CG 3.42Å; Q26-P99 WeakPolarHBondContact O-CG 3.3Å; R94-P99 WeakPolarHBondContact CG-O 3.46Å; R94-P99 PolarHBondContact NE-O 2.85Å; R94-P99 WeakPolarHBondContact O-CA 3.39Å; P99-L101 VanDerWaalsContact C-N 3.33Å
100	D	91.1	Very high	94.9	Very high	89 Å²	89	38.6 Å²	38.6	48%	0.476	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.2	-179.6	68.4	-48.2	0	0	0	113.6	W98 Q102 R133	W98-D100 PolarHBondContact O-N 3.22Å; W98-D100 VanDerWaalsContact O-N 3.13Å; D100-Q102 VanDerWaalsContact O-CG 3.27Å; D100-Q102 WeakPolarHBondContact O-CG 3.46Å; D100-Q102 PolarHBondContact O-N 2.83Å; D100-R133 IonicContact OD1-CZ 4Å; D100-R133 IonicContact OD1-NH1 3.82Å; D100-R133 PolarHBondContact OD1-NH1 3.38Å; D100-R133 IonicContact OD1-NH2 3.96Å; D100-R133 IonicContact OD2-CZ 2.67Å; D100-R133 VanDerWaalsContact OD2-CZ 3.22Å; D100-R133 IonicContact OD2-NH1 2.97Å; D100-R133 PolarHBondContact OD2-NH1 2.73Å; D100-R133 IonicContact OD2-NH2 2.73Å; D100-R133 PolarHBondContact OD2-NH2 3.48Å
101	L	92.7	Very high	94.8	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	23%	0.229	C	C	.	.			trans	-60	120.9	178.1	-174.2	71.9	0	0	0	111.1	V90 C93 R94 W98 P99 E106 L107	V90-L101 HydrophobicContact CB-CD2 4.48Å; V90-L101 HydrophobicContact CG1-CD2 3.81Å; V90-L101 HydrophobicContact CG1-CG 4.27Å; C93-L101 HydrophobicContact CB-CD2 3.93Å; R94-L101 HydrophobicContact CB-CB 4.3Å; R94-L101 HydrophobicContact CB-CD2 4.43Å; R94-L101 WeakPolarHBondContact CD-O 3.2Å; R94-L101 HydrophobicContact CG-CB 4.4Å; W98-L101 HydrophobicContact CB-CB 3.96Å; W98-L101 WeakPolarHBondContact O-CB 3.5Å; W98-L101 PolarHBondContact O-N 2.85Å; P99-L101 VanDerWaalsContact C-N 3.33Å; L101-E106 HydrophobicContact CD1-CB 3.56Å; L101-E106 HydrophobicContact CD1-CG 4.34Å; L101-L107 HydrophobicContact CD1-CD2 3.96Å; L101-L107 HydrophobicContact CD1-CG 4.09Å; L101-L107 HydrophobicContact CD2-CD1 3.8Å; L101-L107 HydrophobicContact CD2-CD2 4.12Å; L101-L107 HydrophobicContact CD2-CG 4.05Å
102	Q	88.6	Confident	94.7	Very high	96 Å²	96	50.7 Å²	50.7	45%	0.449	25%	0.252	S	S	.	.			trans	-103.5	-34.6	-174.9	-54.2	-174.1	8.2	0	0	112.1	D100 E106 S293	D100-Q102 VanDerWaalsContact O-CG 3.27Å; D100-Q102 WeakPolarHBondContact O-CG 3.46Å; D100-Q102 PolarHBondContact O-N 2.83Å; Q102-E106 WeakPolarHBondContact CA-OE1 3.49Å; Q102-E106 PolarHBondContact N-OE1 3Å; Q102-S293 PolarHBondContact OE1-OG 3.28Å
103	S	90.9	Very high	94.7	Very high	13 Å²	13	51.3 Å²	51.3	9%	0.091	26%	0.256	C	S	.	.			trans	-140.7	158.5	-173.3	-170.8	0	0	0	0	113.5	H105 E106	S103-H105 VanDerWaalsContact C-N 3.26Å; S103-H105 PolarHBondContact O-N 2.79Å; S103-H105 PolarHBondContact OG-CD2 3.42Å; S103-H105 VanDerWaalsContact OG-CD2 3.3Å; S103-E106 PolarHBondContact N-OE1 2.87Å; S103-E106 PolarHBondContact O-N 3.13Å
104	H	92.8	Very high	94.7	Very high	62 Å²	62	58 Å²	58	29%	0.287	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-68.9	-23.2	173.8	75.5	-71	0	0	0	113.6	L87 V90 E106 L107	L87-H104 HydrophobicContact CD1-CB 3.71Å; V90-H104 HydrophobicContact CG2-CB 3.52Å; H104-E106 PolarHBondContact O-N 2.98Å; H104-L107 PolarHBondContact O-N 3.03Å
105	H	93.7	Very high	94.7	Very high	30 Å²	30	56.7 Å²	56.7	14%	0.139	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.7	-21	177	-58.1	-69.2	0	0	0	112.4	S103 L107 H337 Y339 V341 E348	S103-H105 VanDerWaalsContact C-N 3.26Å; S103-H105 PolarHBondContact O-N 2.79Å; S103-H105 PolarHBondContact OG-CD2 3.42Å; S103-H105 VanDerWaalsContact OG-CD2 3.3Å; H105-L107 PolarHBondContact O-N 2.88Å; H105-H337 AromaticContact CD2-CE1 3.7Å; H105-H337 AromaticContact NE2-CE1 3.21Å; H105-H337 PolarHBondContact NE2-CE1 3.16Å; H105-H337 AromaticContact NE2-ND1 3.64Å; H105-Y339 HydrophobicContact CB-CD2 3.59Å; H105-Y339 HydrophobicContact CB-CE2 3.68Å; H105-Y339 HydrophobicContact CB-CG 4.26Å; H105-Y339 AromaticContact CD2-CD1 3.52Å; H105-Y339 AromaticContact CD2-CD2 3.65Å; H105-Y339 AromaticContact CD2-CE1 3.83Å; H105-Y339 AromaticContact CD2-CE2 3.94Å; H105-Y339 AromaticContact CD2-CG 3.42Å; H105-Y339 VanDerWaalsContact CD2-CG 3.42Å; H105-Y339 AromaticContact CE1-CD1 3.88Å; H105-Y339 AromaticContact CE1-CE1 3.43Å; H105-Y339 VanDerWaalsContact CE1-CE1 3.43Å; H105-Y339 WeakPolarHBondContact CE1-CE1 3.46Å; H105-Y339 AromaticContact CE1-CZ 3.56Å; H105-Y339 AromaticContact CG-CD2 3.53Å; H105-Y339 AromaticContact CG-CE2 3.48Å; H105-Y339 VanDerWaalsContact CG-CE2 3.48Å; H105-Y339 AromaticContact CG-CG 3.81Å; H105-Y339 AromaticContact CG-CZ 3.75Å; H105-Y339 AromaticContact ND1-CE1 3.78Å; H105-Y339 AromaticContact ND1-CE2 3.6Å; H105-Y339 AromaticContact ND1-CZ 3.43Å; H105-Y339 AromaticContact NE2-CD1 3.45Å; H105-Y339 WeakPolarHBondContact NE2-CD1 3.36Å; H105-Y339 AromaticContact NE2-CE1 3.51Å; H105-Y339 AromaticContact NE2-CG 3.89Å; H105-Y339 AromaticContact NE2-CZ 3.97Å; H105-V341 HydrophobicContact CB-CG1 4.43Å; H105-E348 IonicContact CE1-OE2 2.85Å; H105-E348 IonicContact NE2-OE2 2.85Å
106	E	95.6	Very high	94.8	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.047	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-75.4	-5.8	172.8	-63.1	177.7	-100.4	0	0	112.9	L101 Q102 S103 H104 R133 V134 V341	L101-E106 HydrophobicContact CD1-CB 3.56Å; L101-E106 HydrophobicContact CD1-CG 4.34Å; Q102-E106 WeakPolarHBondContact CA-OE1 3.49Å; Q102-E106 PolarHBondContact N-OE1 3Å; S103-E106 PolarHBondContact N-OE1 2.87Å; S103-E106 PolarHBondContact O-N 3.13Å; H104-E106 PolarHBondContact O-N 2.98Å; E106-R133 CarbonylContact O-C 3.53Å; E106-R133 VanDerWaalsContact O-CA 3.24Å; E106-R133 WeakPolarHBondContact O-CA 3.45Å; E106-R133 WeakPolarHBondContact O-CG 3.26Å; E106-R133 IonicContact OE2-CZ 3.04Å; E106-R133 IonicContact OE2-NE 2.68Å; E106-R133 PolarHBondContact OE2-NE 3.48Å; E106-R133 IonicContact OE2-NH2 2.94Å; E106-R133 PolarHBondContact OE2-NH2 3.35Å; E106-V134 PolarHBondContact O-N 3.45Å; E106-V341 HydrophobicContact CB-CG2 4.42Å; E106-V341 HydrophobicContact CG-CG2 4.06Å
107	L	96.6	Very high	94.6	Very high	14 Å²	14	59 Å²	59	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.4	-180	-62.1	-176.6	0	0	0	111.2	V90 C93 W98 L101 H104 H105 Y131 R132	V90-L107 HydrophobicContact CG2-CD1 4.31Å; C93-L107 HydrophobicContact CB-CD1 3.94Å; W98-L107 HydrophobicContact CE3-CD2 3.62Å; W98-L107 HydrophobicContact CH2-CD2 4.15Å; W98-L107 HydrophobicContact CZ3-CD2 3.27Å; L101-L107 HydrophobicContact CD1-CD2 3.96Å; L101-L107 HydrophobicContact CD1-CG 4.09Å; L101-L107 HydrophobicContact CD2-CD1 3.8Å; L101-L107 HydrophobicContact CD2-CD2 4.12Å; L101-L107 HydrophobicContact CD2-CG 4.05Å; H104-L107 PolarHBondContact O-N 3.03Å; H105-L107 PolarHBondContact O-N 2.88Å; L107-Y131 HydrophobicContact CB-CD1 4.34Å; L107-R132 WeakPolarHBondContact CA-O 3.26Å
108	K	95.8	Very high	94.4	Very high	95 Å²	95	58.6 Å²	58.6	41%	0.413	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.9	166.2	-71.2	-178.3	178.4	178.2	0	109.2	Y131 R132 V134	K108-Y131 CarbonylContact O-C 3.58Å; K108-Y131 WeakPolarHBondContact O-CA 3.11Å; K108-R132 HydrophobicContact CB-CG 4.01Å; K108-R132 PolarHBondContact N-O 3.03Å; K108-R132 PolarHBondContact O-N 3.27Å; K108-V134 HydrophobicContact CD-CG2 4Å; K108-V134 HydrophobicContact CG-CG2 3.85Å
109	P	96.8	Very high	94.3	Very high	66 Å²	66	59 Å²	59	43%	0.429	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147.2	172.3	29.4	-34.1	0	0	0	110.1	C113 P116 H130 Y131	P109-C113 HydrophobicContact CB-CB 4.41Å; P109-P116 HydrophobicContact CB-CB 3.51Å; P109-P116 HydrophobicContact CB-CG 4.49Å; P109-P116 HydrophobicContact CG-CB 3.88Å; P109-H130 WeakPolarHBondContact CA-O 3.44Å; P109-Y131 HydrophobicContact CB-CD1 4.28Å; P109-Y131 HydrophobicContact CB-CE1 4.2Å
110	L	96.1	Very high	94	Very high	61 Å²	61	64.9 Å²	64.9	32%	0.319	34%	0.344	S	S	.	.			trans	-79.4	157.4	168.5	-61.9	-177.1	0	0	0	110.3	C112 C113 Y129 H130 R132	L110-C112 PolarHBondContact O-N 2.78Å; L110-C113 VanDerWaalsContact O-CB 3.22Å; L110-C113 WeakPolarHBondContact O-CB 3.49Å; L110-C113 PolarHBondContact O-N 2.89Å; L110-Y129 WeakPolarHBondContact CD1-O 3.09Å; L110-H130 PolarHBondContact N-O 3.42Å; L110-R132 HydrophobicContact CD2-CB 3.96Å; L110-R132 HydrophobicContact CD2-CG 3.96Å
111	E	94.6	Very high	94.2	Very high	204 Å²	204	64.1 Å²	64.1	95%	0.953	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.6	179.9	-64	-179.5	176.9	0	0	112.9	C113	E111-C113 PolarHBondContact O-N 3.11Å
112	C	94.9	Very high	94.3	Very high	79 Å²	79	73 Å²	73	53%	0.534	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.7	175.7	63.9	0	0	0	0	114.3	L110 E114	L110-C112 PolarHBondContact O-N 2.78Å; C112-E114 PolarHBondContact O-N 2.76Å
113	C	96.7	Very high	94.7	Very high	12 Å²	12	71.2 Å²	71.2	8%	0.081	37%	0.367	C	S	.	.			trans	-83.9	110.6	179.3	-170.6	0	0	0	0	110.3	P109 L110 E111 P116 H130	P109-C113 HydrophobicContact CB-CB 4.41Å; L110-C113 VanDerWaalsContact O-CB 3.22Å; L110-C113 WeakPolarHBondContact O-CB 3.49Å; L110-C113 PolarHBondContact O-N 2.89Å; E111-C113 PolarHBondContact O-N 3.11Å; C113-P116 WeakPolarHBondContact O-CD 3.31Å; C113-H130 HydrophobicContact CB-CB 4.02Å
114	E	97	Very high	94.9	Very high	140 Å²	140	70.6 Å²	70.6	65%	0.654	36%	0.363	S	S	*	.	S	Bend	trans	-79.2	-24.8	178.3	-65.2	173.5	-167	0	0	113	C68 C112 P116 Q121	C68-E114 PolarHBondContact SG-N 2.91Å; C112-E114 PolarHBondContact O-N 2.76Å; E114-P116 WeakPolarHBondContact O-CD 3.49Å; E114-Q121 PolarHBondContact O-NE2 3.36Å
115	F	97.4	Very high	95.2	Very high	47 Å²	47	67.7 Å²	67.7	21%	0.206	35%	0.35	C	S	.	.	S	Bend	trans	-121.2	47.6	-175.3	-57.4	-91.2	0	0	0	113.1	C68 T70 Q121 E123 C125	C68-F115 HydrophobicContact CB-CD2 3.75Å; C68-F115 HydrophobicContact CB-CE2 4.41Å; T70-F115 HydrophobicContact CG2-CB 3.81Å; T70-F115 HydrophobicContact CG2-CD1 4.4Å; T70-F115 HydrophobicContact CG2-CD2 3.75Å; T70-F115 HydrophobicContact CG2-CE2 4.48Å; T70-F115 HydrophobicContact CG2-CG 3.72Å; F115-Q121 VanDerWaalsContact CE1-OE1 3.24Å; F115-E123 HydrophobicContact CD1-CB 3.96Å; F115-E123 HydrophobicContact CE1-CB 4.4Å; F115-C125 HydrophobicContact CB-CB 4.05Å; F115-C125 VanDerWaalsContact O-CB 3.27Å; F115-C125 WeakPolarHBondContact O-CB 3.41Å; F115-C125 PolarHBondContact O-N 3.11Å
116	P	96.9	Very high	95.4	Very high	24 Å²	24	66.2 Å²	66.2	16%	0.156	34%	0.343	C	S	.	.			trans	-67.7	148.1	-178.9	31.7	-34.9	0	0	0	109.7	P109 C113 E114 G118 S119	P109-P116 HydrophobicContact CB-CB 3.51Å; P109-P116 HydrophobicContact CB-CG 4.49Å; P109-P116 HydrophobicContact CG-CB 3.88Å; C113-P116 WeakPolarHBondContact O-CD 3.31Å; E114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-G118 PolarHBondContact O-N 3.38Å; P116-G118 VanDerWaalsContact O-N 3.09Å; P116-S119 WeakPolarHBondContact O-CB 3.31Å; P116-S119 PolarHBondContact O-N 3.38Å; P116-S119 PolarHBondContact O-OG 2.92Å
117	F	93.8	Very high	95.4	Very high	31 Å²	31	65.8 Å²	65.8	14%	0.136	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-54.4	-36.5	-175.1	-177.9	-96.8	0	0	0	114.2	R73 G77 L87 H89 S119 V124	R73-F117 PolarHBondContact NH1-O 2.95Å; G77-F117 WeakPolarHBondContact O-CE2 3.48Å; L87-F117 HydrophobicContact CD1-CE1 4.27Å; L87-F117 HydrophobicContact CD2-CE1 4Å; L87-F117 HydrophobicContact CD2-CE2 3.94Å; L87-F117 HydrophobicContact CD2-CZ 3.45Å; L87-F117 VanDerWaalsContact CD2-CZ 3.45Å; L87-F117 HydrophobicContact CG-CZ 4.47Å; H89-F117 WeakPolarHBondContact CE1-CB 3.46Å; H89-F117 AromaticContact CE1-CD1 3.53Å; H89-F117 AromaticContact CE1-CD2 3.78Å; H89-F117 AromaticContact CE1-CG 3.25Å; H89-F117 WeakPolarHBondContact CE1-CG 3.49Å; H89-F117 WeakPolarHBondContact ND1-CB 3.28Å; H89-F117 AromaticContact ND1-CD2 3.58Å; H89-F117 AromaticContact ND1-CG 3.41Å; H89-F117 WeakPolarHBondContact ND1-CG 3.41Å; F117-S119 VanDerWaalsContact C-N 3.25Å; F117-S119 PolarHBondContact O-N 3.44Å; F117-V124 HydrophobicContact CB-CG1 4.29Å; F117-V124 HydrophobicContact CD2-CG1 3.87Å; F117-V124 HydrophobicContact CD2-CG2 3.98Å; F117-V124 HydrophobicContact CE2-CG2 4.49Å
118	G	91.4	Very high	95.5	Very high	65 Å²	65	65.1 Å²	65.1	67%	0.67	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66	-20.3	179.8	0	0	0	0	0	114.9	P116 K120	P116-G118 PolarHBondContact O-N 3.38Å; P116-G118 VanDerWaalsContact O-N 3.09Å; G118-K120 PolarHBondContact O-N 3.22Å; G118-K120 VanDerWaalsContact O-N 3.14Å
119	S	92.7	Very high	95.5	Very high	48 Å²	48	62.7 Å²	62.7	34%	0.336	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-69.1	-9.6	-178.4	66.2	0	0	0	0	114.6	P116 F117 Q121	P116-S119 WeakPolarHBondContact O-CB 3.31Å; P116-S119 PolarHBondContact O-N 3.38Å; P116-S119 PolarHBondContact O-OG 2.92Å; F117-S119 VanDerWaalsContact C-N 3.25Å; F117-S119 PolarHBondContact O-N 3.44Å; S119-Q121 PolarHBondContact O-N 3.22Å; S119-Q121 VanDerWaalsContact O-N 3.08Å; S119-Q121 WeakPolarHBondContact OG-CG 3.48Å
120	K	89	Confident	95.5	Very high	173 Å²	173	59.7 Å²	59.7	75%	0.752	31%	0.306	S	S	*	.			trans	57.4	20.8	-178.6	-60.8	-179.3	-175.2	176.1	0	114.7	R73 G118	R73-K120 VanDerWaalsContact NH1-CA 3.33Å; G118-K120 PolarHBondContact O-N 3.22Å; G118-K120 VanDerWaalsContact O-N 3.14Å
121	Q	93.9	Very high	95.6	Very high	73 Å²	73	57 Å²	57	34%	0.341	29%	0.292	S	S	.	.			trans	-70.4	166	175.7	-65.5	-180	32.5	0	0	113	R73 E114 F115 S119 E123	R73-Q121 WeakPolarHBondContact CD-O 2.81Å; E114-Q121 PolarHBondContact O-NE2 3.36Å; F115-Q121 VanDerWaalsContact CE1-OE1 3.24Å; S119-Q121 PolarHBondContact O-N 3.22Å; S119-Q121 VanDerWaalsContact O-N 3.08Å; S119-Q121 WeakPolarHBondContact OG-CG 3.48Å; Q121-E123 PolarHBondContact O-N 2.86Å
122	K	95.6	Very high	95.6	Very high	191 Å²	191	53.4 Å²	53.4	83%	0.83	27%	0.27	S	S	*	.	S	Bend	trans	-66.3	-25.6	178.6	-67.6	-177.5	-179.5	177.1	0	113.3	R73	R73-K122 WeakPolarHBondContact CB-O 3.04Å; R73-K122 PolarHBondContact N-O 3.08Å
123	E	95.9	Very high	95.7	Very high	57 Å²	57	52.2 Å²	52.2	27%	0.266	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	153.1	175.8	-68.3	-156.3	91.6	0	0	110.4	K48 T70 I71 F115 Q121	K48-E123 IonicContact NZ-OE1 3.54Å; K48-E123 PolarHBondContact NZ-OE1 3.46Å; K48-E123 IonicContact NZ-OE2 2.72Å; K48-E123 PolarHBondContact NZ-OE2 2.94Å; T70-E123 HydrophobicContact CG2-CB 4.37Å; T70-E123 VanDerWaalsContact OG1-CD 3.26Å; T70-E123 PolarHBondContact OG1-OE1 3.1Å; I71-E123 CarbonylContact O-C 3.56Å; I71-E123 WeakPolarHBondContact O-CA 3.48Å; F115-E123 HydrophobicContact CD1-CB 3.96Å; F115-E123 HydrophobicContact CE1-CB 4.4Å; Q121-E123 PolarHBondContact O-N 2.86Å
124	V	96.9	Very high	95.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.3	178.3	173.3	0	0	0	0	109.1	T70 I71 R73 P88 F117	T70-V124 CarbonylContact C-O 3.58Å; T70-V124 WeakPolarHBondContact CA-O 3.2Å; I71-V124 PolarHBondContact N-O 3.39Å; I71-V124 PolarHBondContact O-N 3.48Å; R73-V124 HydrophobicContact CB-CG2 3.97Å; R73-V124 HydrophobicContact CG-CG2 3.99Å; P88-V124 HydrophobicContact CB-CG1 4.36Å; F117-V124 HydrophobicContact CB-CG1 4.29Å; F117-V124 HydrophobicContact CD2-CG1 3.87Å; F117-V124 HydrophobicContact CD2-CG2 3.98Å; F117-V124 HydrophobicContact CE2-CG2 4.49Å
125	C	97.7	Very high	95.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.8	173	-171.9	0	0	0	0	111.1	C68 V69 T70 F115 N127 H130 Y131	C68-C125 HydrophobicContact CB-CB 4.42Å; V69-C125 CarbonylContact O-C 3.56Å; V69-C125 VanDerWaalsContact O-CA 3.31Å; V69-C125 WeakPolarHBondContact O-CA 3.49Å; T70-C125 HydrophobicContact CG2-CB 4.49Å; F115-C125 HydrophobicContact CB-CB 4.05Å; F115-C125 VanDerWaalsContact O-CB 3.27Å; F115-C125 WeakPolarHBondContact O-CB 3.41Å; F115-C125 PolarHBondContact O-N 3.11Å; C125-N127 PolarHBondContact SG-N 3.27Å; C125-H130 PolarHBondContact SG-ND1 3.31Å; C125-Y131 PolarHBondContact O-OH 3.2Å
126	I	97.5	Very high	94.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.			trans	-115.9	3.2	176.3	63	76.6	0	0	0	112.9	L41 L55 V69 I71 P88 Y92 W96 P128	L41-I126 HydrophobicContact CD1-CD1 4.18Å; L41-I126 HydrophobicContact CD1-CG1 4.16Å; L41-I126 HydrophobicContact CD2-CD1 3.97Å; L55-I126 HydrophobicContact CD1-CD1 4.13Å; L55-I126 HydrophobicContact CD2-CD1 4.48Å; V69-I126 HydrophobicContact CB-CD1 3.97Å; V69-I126 HydrophobicContact CB-CG1 4.49Å; V69-I126 HydrophobicContact CG1-CD1 3.5Å; V69-I126 HydrophobicContact CG1-CG1 4.11Å; V69-I126 WeakPolarHBondContact O-CG1 3.28Å; V69-I126 PolarHBondContact O-N 3.4Å; I71-I126 HydrophobicContact CD1-CG2 4.12Å; I71-I126 HydrophobicContact CG1-CG2 3.97Å; I71-I126 HydrophobicContact CG2-CG1 4.29Å; P88-I126 HydrophobicContact CB-CG2 3.85Å; Y92-I126 HydrophobicContact CD2-CB 3.55Å; Y92-I126 HydrophobicContact CD2-CG1 4.18Å; Y92-I126 HydrophobicContact CD2-CG2 3.56Å; Y92-I126 HydrophobicContact CE2-CB 4.29Å; Y92-I126 HydrophobicContact CE2-CG2 3.98Å; Y92-I126 HydrophobicContact CG-CB 4.21Å; W96-I126 HydrophobicContact CZ3-CD1 4.48Å; I126-P128 VanDerWaalsContact O-CD 3.32Å; I126-P128 WeakPolarHBondContact O-CD 3.35Å
127	N	97.4	Very high	94.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.			trans	-63.3	114.3	173.7	-178.6	-16.7	0	0	0	108.7	S66 K67 V69 C125 Y129 H130 Y131	S66-N127 PolarHBondContact OG-ND2 3.49Å; K67-N127 PolarHBondContact O-ND2 3.13Å; K67-N127 VanDerWaalsContact O-ND2 3.11Å; V69-N127 HydrophobicContact CB-CB 4.23Å; V69-N127 HydrophobicContact CG2-CB 4.26Å; C125-N127 PolarHBondContact SG-N 3.27Å; N127-Y129 PolarHBondContact O-N 2.78Å; N127-Y129 PolarHBondContact OD1-N 3.14Å; N127-H130 HydrophobicContact CB-CB 4.28Å; N127-H130 PolarHBondContact ND2-CD2 2.95Å; N127-H130 PolarHBondContact ND2-NE2 3.29Å; N127-H130 WeakPolarHBondContact O-CB 3.32Å; N127-H130 PolarHBondContact O-N 3.05Å; N127-H130 VanDerWaalsContact O-N 3.08Å; N127-Y131 WeakPolarHBondContact O-CD2 3.46Å
128	P	96.9	Very high	93.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-69.7	-17.5	-173	32.5	-39	0	0	0	112.7	L59 W96 R97 I126 H130	L59-P128 HydrophobicContact CD2-CG 3.88Å; W96-P128 HydrophobicContact CB-CG 4.14Å; W96-P128 HydrophobicContact CE3-CG 4.06Å; R97-P128 VanDerWaalsContact CD-O 3.26Å; R97-P128 WeakPolarHBondContact CD-O 3.34Å; R97-P128 HydrophobicContact CG-CB 3.91Å; R97-P128 HydrophobicContact CG-CG 4.41Å; R97-P128 PolarHBondContact NH1-O 3.42Å; I126-P128 VanDerWaalsContact O-CD 3.32Å; I126-P128 WeakPolarHBondContact O-CD 3.35Å; P128-H130 VanDerWaalsContact C-N 3.32Å
129	Y	97	Very high	93.9	Very high	45 Å²	45	59.5 Å²	59.5	18%	0.176	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-85.8	-1.6	175.2	-61.6	-72.2	0	0	0	113.8	A58 L59 P62 R97 L110 N127 Y131	A58-Y129 HydrophobicContact CB-CD2 4.46Å; A58-Y129 VanDerWaalsContact O-CD2 3.27Å; A58-Y129 WeakPolarHBondContact O-CD2 3.42Å; A58-Y129 WeakPolarHBondContact O-CE2 3.15Å; L59-Y129 HydrophobicContact CD2-CE2 4.17Å; P62-Y129 HydrophobicContact CB-CE1 3.72Å; P62-Y129 WeakPolarHBondContact CG-OH 3.44Å; R97-Y129 HydrophobicContact CG-CE1 4.43Å; L110-Y129 WeakPolarHBondContact CD1-O 3.09Å; N127-Y129 PolarHBondContact O-N 2.78Å; N127-Y129 PolarHBondContact OD1-N 3.14Å; Y129-Y131 VanDerWaalsContact C-N 3.25Å
130	H	97.4	Very high	93.7	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.014	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-90.1	5.7	170.6	-73.1	-161.6	0	0	0	112.8	S66 K67 C68 P109 L110 C113 C125 N127 P128	S66-H130 PolarHBondContact O-CE1 3.22Å; S66-H130 PolarHBondContact O-NE2 3.48Å; K67-H130 PolarHBondContact O-CE1 3Å; K67-H130 VanDerWaalsContact O-CE1 3.29Å; C68-H130 VanDerWaalsContact CA-CE1 3.47Å; C68-H130 WeakPolarHBondContact CA-CE1 3.43Å; C68-H130 PolarHBondContact N-CE1 2.95Å; C68-H130 VanDerWaalsContact N-CE1 3.32Å; C68-H130 VanDerWaalsContact SG-CE1 3.53Å; C68-H130 PolarHBondContact SG-ND1 2.75Å; C68-H130 VanDerWaalsContact SG-ND1 3.36Å; P109-H130 WeakPolarHBondContact CA-O 3.44Å; L110-H130 PolarHBondContact N-O 3.42Å; C113-H130 HydrophobicContact CB-CB 4.02Å; C125-H130 PolarHBondContact SG-ND1 3.31Å; N127-H130 HydrophobicContact CB-CB 4.28Å; N127-H130 PolarHBondContact ND2-CD2 2.95Å; N127-H130 PolarHBondContact ND2-NE2 3.29Å; N127-H130 WeakPolarHBondContact O-CB 3.32Å; N127-H130 PolarHBondContact O-N 3.05Å; N127-H130 VanDerWaalsContact O-N 3.08Å; P128-H130 VanDerWaalsContact C-N 3.32Å
131	Y	97.1	Very high	93.8	Very high	5 Å²	5	55.9 Å²	55.9	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.6	175.6	-59.7	-88.7	0	0	0	109	H89 R97 L107 K108 P109 C125 N127 Y129	H89-Y131 HydrophobicContact CB-CE1 4.2Å; H89-Y131 HydrophobicContact CB-CE2 3.84Å; H89-Y131 WeakPolarHBondContact CB-OH 3.35Å; H89-Y131 AromaticContact CD2-CE1 3.95Å; R97-Y131 PolarHBondContact NH1-O 3.14Å; L107-Y131 HydrophobicContact CB-CD1 4.34Å; K108-Y131 CarbonylContact O-C 3.58Å; K108-Y131 WeakPolarHBondContact O-CA 3.11Å; P109-Y131 HydrophobicContact CB-CD1 4.28Å; P109-Y131 HydrophobicContact CB-CE1 4.2Å; C125-Y131 PolarHBondContact O-OH 3.2Å; N127-Y131 WeakPolarHBondContact O-CD2 3.46Å; Y129-Y131 VanDerWaalsContact C-N 3.25Å
132	R	95.6	Very high	93.7	Very high	128 Å²	128	52.5 Å²	52.5	48%	0.483	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.2	165	62.8	-176.4	-177.2	108.6	-9.3	109	L107 K108 L110	L107-R132 WeakPolarHBondContact CA-O 3.26Å; K108-R132 HydrophobicContact CB-CG 4.01Å; K108-R132 PolarHBondContact N-O 3.03Å; K108-R132 PolarHBondContact O-N 3.27Å; L110-R132 HydrophobicContact CD2-CB 3.96Å; L110-R132 HydrophobicContact CD2-CG 3.96Å
133	R	95.4	Very high	93.4	Very high	54 Å²	54	46.4 Å²	46.4	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	145	171.6	-162.5	170.4	-173.7	177.5	-0.8	109.2	W98 D100 E106 E135	W98-R133 HydrophobicContact CD2-CB 4.19Å; W98-R133 HydrophobicContact CH2-CB 3.99Å; W98-R133 HydrophobicContact CZ2-CB 3.58Å; W98-R133 HydrophobicContact CZ3-CB 4.48Å; D100-R133 IonicContact OD1-CZ 4Å; D100-R133 IonicContact OD1-NH1 3.82Å; D100-R133 PolarHBondContact OD1-NH1 3.38Å; D100-R133 IonicContact OD1-NH2 3.96Å; D100-R133 IonicContact OD2-CZ 2.67Å; D100-R133 VanDerWaalsContact OD2-CZ 3.22Å; D100-R133 IonicContact OD2-NH1 2.97Å; D100-R133 PolarHBondContact OD2-NH1 2.73Å; D100-R133 IonicContact OD2-NH2 2.73Å; D100-R133 PolarHBondContact OD2-NH2 3.48Å; E106-R133 CarbonylContact O-C 3.53Å; E106-R133 VanDerWaalsContact O-CA 3.24Å; E106-R133 WeakPolarHBondContact O-CA 3.45Å; E106-R133 WeakPolarHBondContact O-CG 3.26Å; E106-R133 IonicContact OE2-CZ 3.04Å; E106-R133 IonicContact OE2-NE 2.68Å; E106-R133 PolarHBondContact OE2-NE 3.48Å; E106-R133 IonicContact OE2-NH2 2.94Å; E106-R133 PolarHBondContact OE2-NH2 3.35Å; R133-E135 PolarHBondContact O-N 3.01Å
134	V	94.5	Very high	92.9	Very high	26 Å²	26	43.9 Å²	43.9	16%	0.158	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-74.3	118.8	168.9	-178	0	0	0	0	107.7	E106 K108 V341	E106-V134 PolarHBondContact O-N 3.45Å; K108-V134 HydrophobicContact CD-CG2 4Å; K108-V134 HydrophobicContact CG-CG2 3.85Å; V134-V341 HydrophobicContact CB-CG2 3.68Å; V134-V341 HydrophobicContact CG1-CG2 3.78Å; V134-V341 HydrophobicContact CG2-CG2 4.18Å
135	E	88.9	Confident	92.1	Very high	167 Å²	167	45.2 Å²	45.2	78%	0.78	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-83	143.7	178	-66.8	174	-178.1	0	0	110.4	R133 G342	R133-E135 PolarHBondContact O-N 3.01Å; E135-G342 WeakPolarHBondContact O-CA 3.48Å
136	T	87.1	Confident	90.8	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.344	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-83.8	121.2	169.6	-59.3	0	0	0	0	108.4
137	P	86.6	Confident	89.1	Confident	57 Å²	57	58.1 Å²	58.1	37%	0.37	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-65.1	141.7	177.9	28.1	-33.2	0	0	0	110.1	L139 G342	P137-L139 PolarHBondContact O-N 3.4Å; P137-G342 WeakPolarHBondContact CD-O 3.44Å
138	V	88.2	Confident	87.1	Confident	143 Å²	143	61.9 Å²	61.9	87%	0.867	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-70.2	123.8	171.7	-178.5	0	0	0	0	108.4
139	L	90.6	Very high	85	Confident	23 Å²	23	70.7 Å²	70.7	12%	0.12	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-88.3	132	179.5	-60.3	173.1	0	0	0	109.8	P137 Y267 N387 Q388 A391 W448	P137-L139 PolarHBondContact O-N 3.4Å; L139-Y267 HydrophobicContact CD1-CD1 3.93Å; L139-Y267 HydrophobicContact CD1-CD2 4.22Å; L139-Y267 HydrophobicContact CD1-CE1 4.27Å; L139-Y267 HydrophobicContact CD1-CG 3.89Å; L139-N387 HydrophobicContact CD1-CB 3.84Å; L139-N387 HydrophobicContact CD2-CB 4.47Å; L139-Q388 HydrophobicContact CD2-CB 4.12Å; L139-Q388 HydrophobicContact CD2-CG 4.48Å; L139-A391 HydrophobicContact CD2-CB 4.44Å; L139-W448 HydrophobicContact CB-CH2 3.76Å; L139-W448 HydrophobicContact CB-CZ3 4.12Å; L139-W448 HydrophobicContact CD1-CH2 4.31Å; L139-W448 HydrophobicContact CD1-CZ3 3.78Å; L139-W448 HydrophobicContact CG-CZ3 4.49Å
140	P	89.1	Confident	82.8	Confident	84 Å²	84	75.3 Å²	75.3	55%	0.545	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-67.8	148.4	178.7	29	-34.6	0	0	0	110.8	W448	P140-W448 WeakPolarHBondContact O-CH2 3.47Å; P140-W448 VanDerWaalsContact O-CZ2 3.26Å; P140-W448 WeakPolarHBondContact O-CZ2 3.47Å
141	P	90.3	Very high	80.6	Confident	60 Å²	60	79 Å²	79	39%	0.39	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-65.1	145.6	175.6	28	-34.2	0	0	0	111.2	P264 V265	P141-P264 HydrophobicContact CB-CB 4.08Å; P141-P264 HydrophobicContact CG-CB 4.49Å; P141-V265 WeakPolarHBondContact CA-O 3.43Å
142	V	91.2	Very high	78.3	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.012	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.6	171.8	171.9	0	0	0	0	108.6	V144 V265 L394 A395 V398 W448 V452	V142-V144 HydrophobicContact CG1-CG2 4.43Å; V142-V265 PolarHBondContact N-O 2.58Å; V142-V265 PolarHBondContact O-N 3.3Å; V142-L394 HydrophobicContact CG1-CG 4.4Å; V142-L394 HydrophobicContact CG2-CB 4.4Å; V142-L394 HydrophobicContact CG2-CD2 3.96Å; V142-L394 HydrophobicContact CG2-CG 3.91Å; V142-A395 HydrophobicContact CG2-CB 4.32Å; V142-V398 HydrophobicContact CG1-CG2 3.68Å; V142-W448 HydrophobicContact CG2-CH2 4.45Å; V142-W448 HydrophobicContact CG2-CZ2 3.66Å; V142-V452 HydrophobicContact CB-CG2 4.08Å; V142-V452 HydrophobicContact CG1-CG1 4.5Å; V142-V452 HydrophobicContact CG1-CG2 3.84Å
143	L	89.9	Confident	76	Confident	64 Å²	64	85.4 Å²	85.4	34%	0.335	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.7	-179.9	-58.7	-177.3	0	0	0	110.1	I257 F262 P264	L143-I257 HydrophobicContact CD1-CD1 4.2Å; L143-F262 HydrophobicContact CB-CB 4.28Å; L143-F262 HydrophobicContact CB-CD1 4.24Å; L143-F262 HydrophobicContact CB-CG 4.49Å; L143-P264 HydrophobicContact CD2-CB 4.02Å
144	V	85.5	Confident	73.8	Confident	3 Å²	3	88.1 Å²	88.1	2%	0.018	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.1	178.7	-174.1	0	0	0	0	110.2	V142 F262 R263 V265 V398 V452 Q455 M456	V142-V144 HydrophobicContact CG1-CG2 4.43Å; V144-F262 CarbonylContact O-C 3.59Å; V144-F262 WeakPolarHBondContact O-CA 3.28Å; V144-R263 PolarHBondContact N-O 3.33Å; V144-R263 PolarHBondContact O-N 3.21Å; V144-V265 HydrophobicContact CG2-CG2 3.88Å; V144-V398 HydrophobicContact CG1-CG1 4.38Å; V144-V398 HydrophobicContact CG2-CG1 4.42Å; V144-V452 HydrophobicContact CG2-CB 4.49Å; V144-V452 HydrophobicContact CG2-CG1 3.96Å; V144-V452 HydrophobicContact CG2-CG2 4.37Å; V144-Q455 HydrophobicContact CB-CB 4.35Å; V144-Q455 HydrophobicContact CG1-CB 3.98Å; V144-Q455 HydrophobicContact CG2-CB 4.47Å; V144-M456 HydrophobicContact CG1-CG 3.75Å
145	P	81.3	Confident	71.6	Confident	30 Å²	30	89.2 Å²	89.2	20%	0.195	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	136.8	174.4	-11	20.9	0	0	0	111.3	F262 V398	P145-F262 HydrophobicContact CB-CD1 4.19Å; P145-F262 HydrophobicContact CB-CE1 4.01Å; P145-F262 HydrophobicContact CG-CD1 4.18Å; P145-F262 HydrophobicContact CG-CE1 3.87Å; P145-V398 VanDerWaalsContact CD-CG1 3.41Å; P145-V398 HydrophobicContact CG-CG1 4.39Å
146	R	69.4	Low	69.8	Low	131 Å²	131	83.4 Å²	83.4	49%	0.494	44%	0.443	S	S	.	.	S	Bend	trans	-72.3	-28	174.7	-69.2	-176.2	-168.5	171.6	-6.1	113.7	D261 R263	R146-D261 HydrophobicContact CB-CB 4.1Å; R146-D261 WeakPolarHBondContact CB-O 3.45Å; R146-D261 HydrophobicContact CG-CB 4.16Å; R146-D261 VanDerWaalsContact CG-O 3.31Å; R146-D261 WeakPolarHBondContact CG-O 3.43Å; R146-D261 IonicContact CZ-OD1 2.71Å; R146-D261 PolarHBondContact N-O 2.92Å; R146-D261 IonicContact NE-OD1 3.76Å; R146-D261 IonicContact NH1-OD1 2.7Å; R146-D261 PolarHBondContact NH1-OD1 3.14Å; R146-D261 IonicContact NH1-OD2 3.5Å; R146-R263 HydrophobicContact CG-CG 4.19Å
147	H	61.9	Low	68	Low	140 Å²	140	82.3 Å²	82.3	65%	0.648	44%	0.435	S	S	*	.	S	Bend	trans	-116.4	104.5	179.4	-58.9	86.6	0	0	0	107.7	E149 D261	H147-E149 VanDerWaalsContact C-N 3.28Å; H147-E149 PolarHBondContact O-N 3.41Å; H147-D261 IonicContact CE1-OD2 2.73Å
148	S	54.8	Low	66	Low	78 Å²	78	82.2 Å²	82.2	55%	0.545	44%	0.439	S	S	.	.			trans	-82.6	76	179.3	-149.1	0	0	0	0	108.6	Y150	S148-Y150 VanDerWaalsContact C-N 3.28Å; S148-Y150 PolarHBondContact O-N 3.07Å
149	E	53.3	Low	64.2	Low	186 Å²	186	83 Å²	83	87%	0.869	43%	0.431	S	S	*	.			trans	-70.7	93.8	164.4	-73.8	-172	179.8	0	0	107.4	H147 N151	H147-E149 VanDerWaalsContact C-N 3.28Å; H147-E149 PolarHBondContact O-N 3.41Å; E149-N151 PolarHBondContact O-N 3.13Å; E149-N151 VanDerWaalsContact O-N 3.15Å
150	Y	50.3	Low	62.2	Low	142 Å²	142	86.2 Å²	86.2	56%	0.557	44%	0.444	S	S	*	.			trans	-56.9	116.4	176.3	176.6	-100.6	0	0	0	109.4	S148 P152	S148-Y150 VanDerWaalsContact C-N 3.28Å; S148-Y150 PolarHBondContact O-N 3.07Å; Y150-P152 HydrophobicContact CD1-CB 4.25Å; Y150-P152 HydrophobicContact CD1-CG 3.81Å; Y150-P152 HydrophobicContact CE1-CB 3.66Å; Y150-P152 HydrophobicContact CE1-CG 3.72Å; Y150-P152 VanDerWaalsContact O-CD 3.3Å; Y150-P152 WeakPolarHBondContact O-CD 3.4Å
151	N	52	Low	60.1	Low	80 Å²	80	90.1 Å²	90.1	43%	0.428	45%	0.448	S	S	.	.			trans	-92	105.4	169.3	-171.4	-22.5	0	0	0	109.3	E149 Q153 L154	E149-N151 PolarHBondContact O-N 3.13Å; E149-N151 VanDerWaalsContact O-N 3.15Å; N151-Q153 PolarHBondContact O-N 3.33Å; N151-Q153 VanDerWaalsContact O-N 3.16Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.33Å; N151-Q153 PolarHBondContact OD1-N 3.48Å; N151-L154 PolarHBondContact O-N 3.04Å
152	P	49.4	Very low	57.7	Low	86 Å²	86	90 Å²	90	56%	0.558	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.4	-177.3	-13.1	26.8	0	0	0	113.3	Y150	Y150-P152 HydrophobicContact CD1-CB 4.25Å; Y150-P152 HydrophobicContact CD1-CG 3.81Å; Y150-P152 HydrophobicContact CE1-CB 3.66Å; Y150-P152 HydrophobicContact CE1-CG 3.72Å; Y150-P152 VanDerWaalsContact O-CD 3.3Å; Y150-P152 WeakPolarHBondContact O-CD 3.4Å
153	Q	46.1	Very low	55.4	Low	181 Å²	181	92 Å²	92	85%	0.846	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-84.6	-11.9	-172.9	-63.8	-172.3	-36.7	0	0	113.7	N151	N151-Q153 PolarHBondContact O-N 3.33Å; N151-Q153 VanDerWaalsContact O-N 3.16Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.33Å; N151-Q153 PolarHBondContact OD1-N 3.48Å
154	L	50.3	Low	53.1	Low	112 Å²	112	93.4 Å²	93.4	59%	0.586	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-104.7	17	-177.1	-80	167.9	0	0	0	114	N151 L156 H400	N151-L154 PolarHBondContact O-N 3.04Å; L154-L156 PolarHBondContact O-N 2.9Å; L154-H400 PolarHBondContact O-CD2 3.09Å; L154-H400 PolarHBondContact O-NE2 2.91Å
155	S	48.6	Very low	50.9	Low	49 Å²	49	99.9 Å²	99.9	34%	0.343	51%	0.514	S	S	.	.			trans	-56	89.8	-176.2	-170.9	0	0	0	0	113	L157 A158	S155-L157 PolarHBondContact O-N 3.49Å; S155-L157 WeakPolarHBondContact OG-CB 3.28Å; S155-A158 WeakPolarHBondContact O-CB 3.37Å; S155-A158 PolarHBondContact O-N 3.45Å
156	L	50.8	Low	49	Very low	44 Å²	44	105.9 Å²	105.9	23%	0.23	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9	165.7	-137.9	152.8	0	0	0	110.5	L154 A158 K159 F160	L154-L156 PolarHBondContact O-N 2.9Å; L156-A158 CarbonylContact O-C 3.59Å; L156-A158 PolarHBondContact O-N 3.36Å; L156-K159 HydrophobicContact CD2-CB 3.62Å; L156-K159 HydrophobicContact CD2-CD 4.12Å; L156-K159 HydrophobicContact CD2-CG 4.42Å; L156-K159 HydrophobicContact CG-CB 4.21Å; L156-K159 HydrophobicContact CG-CD 4.22Å; L156-K159 CarbonylContact O-C 3.48Å; L156-K159 WeakPolarHBondContact O-CA 3.37Å; L156-K159 PolarHBondContact O-N 2.83Å; L156-F160 HydrophobicContact CD2-CD2 3.88Å; L156-F160 HydrophobicContact CD2-CE2 3.95Å; L156-F160 PolarHBondContact O-N 2.84Å
157	L	49.3	Very low	47.9	Very low	34 Å²	34	105.7 Å²	105.7	18%	0.178	56%	0.558	C	S	.	*	H	α-helix	trans	-51.8	-30.8	159.7	-136	148.6	0	0	0	110.3	S155 R161 V404	S155-L157 PolarHBondContact O-N 3.49Å; S155-L157 WeakPolarHBondContact OG-CB 3.28Å; L157-R161 HydrophobicContact CD2-CG 3.93Å; L157-R161 WeakPolarHBondContact O-CA 3.36Å; L157-R161 WeakPolarHBondContact O-CB 3.19Å; L157-R161 VanDerWaalsContact O-CG 3.32Å; L157-R161 WeakPolarHBondContact O-CG 3.35Å; L157-R161 PolarHBondContact O-N 3.26Å; L157-V404 HydrophobicContact CB-CG2 4.3Å; L157-V404 HydrophobicContact CD1-CG2 3.69Å; L157-V404 HydrophobicContact CG-CG2 4.05Å
158	A	43.3	Very low	47.3	Very low	55 Å²	55	104.1 Å²	104.1	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-46.4	165.7	0	0	0	0	0	111.7	S155 L156 F160 R161 S162	S155-A158 WeakPolarHBondContact O-CB 3.37Å; S155-A158 PolarHBondContact O-N 3.45Å; L156-A158 CarbonylContact O-C 3.59Å; L156-A158 PolarHBondContact O-N 3.36Å; A158-F160 PolarHBondContact O-N 2.85Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 PolarHBondContact O-N 2.9Å; A158-S162 VanDerWaalsContact C-OG 3.28Å; A158-S162 WeakPolarHBondContact O-CA 3.27Å; A158-S162 WeakPolarHBondContact O-CB 3.49Å; A158-S162 PolarHBondContact O-N 3.45Å; A158-S162 PolarHBondContact O-OG 3.18Å
159	K	49.9	Very low	47.1	Very low	160 Å²	160	103.7 Å²	103.7	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-68.3	-32.1	175.5	-75.4	179.1	-176.3	176.1	0	114.2	L156 S162	L156-K159 HydrophobicContact CD2-CB 3.62Å; L156-K159 HydrophobicContact CD2-CD 4.12Å; L156-K159 HydrophobicContact CD2-CG 4.42Å; L156-K159 HydrophobicContact CG-CB 4.21Å; L156-K159 HydrophobicContact CG-CD 4.22Å; L156-K159 CarbonylContact O-C 3.48Å; L156-K159 WeakPolarHBondContact O-CA 3.37Å; L156-K159 PolarHBondContact O-N 2.83Å; K159-S162 VanDerWaalsContact CA-OG 3.29Å; K159-S162 WeakPolarHBondContact CA-OG 3.46Å
160	F	49	Very low	47.5	Very low	89 Å²	89	103.8 Å²	103.8	39%	0.39	55%	0.552	S	S	.	*	H	α-helix	trans	-73.8	-25.6	170.8	-83.4	-80	0	0	0	113.2	L156 A158 V404 L408	L156-F160 HydrophobicContact CD2-CD2 3.88Å; L156-F160 HydrophobicContact CD2-CE2 3.95Å; L156-F160 PolarHBondContact O-N 2.84Å; A158-F160 PolarHBondContact O-N 2.85Å; F160-V404 HydrophobicContact CD2-CG1 4.38Å; F160-V404 HydrophobicContact CE2-CG1 4.37Å; F160-L408 HydrophobicContact CZ-CD2 4.49Å
161	R	45.1	Very low	48.6	Very low	166 Å²	166	98.9 Å²	98.9	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-99.8	-15.6	173.1	-74.2	-176.4	176.8	162.7	3.5	114.8	L157 A158 A163 S164	L157-R161 HydrophobicContact CD2-CG 3.93Å; L157-R161 WeakPolarHBondContact O-CA 3.36Å; L157-R161 WeakPolarHBondContact O-CB 3.19Å; L157-R161 VanDerWaalsContact O-CG 3.32Å; L157-R161 WeakPolarHBondContact O-CG 3.35Å; L157-R161 PolarHBondContact O-N 3.26Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 PolarHBondContact O-N 2.9Å; R161-A163 VanDerWaalsContact C-N 3.26Å; R161-A163 PolarHBondContact O-N 3.07Å; R161-S164 VanDerWaalsContact O-CA 3.32Å; R161-S164 WeakPolarHBondContact O-CA 3.35Å; R161-S164 WeakPolarHBondContact O-CB 3.33Å; R161-S164 PolarHBondContact O-N 2.88Å
162	S	40.6	Very low	50.1	Low	58 Å²	58	95.7 Å²	95.7	41%	0.406	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.7	-168.5	52.9	0	0	0	0	112.9	A158 K159 S164	A158-S162 VanDerWaalsContact C-OG 3.28Å; A158-S162 WeakPolarHBondContact O-CA 3.27Å; A158-S162 WeakPolarHBondContact O-CB 3.49Å; A158-S162 PolarHBondContact O-N 3.45Å; A158-S162 PolarHBondContact O-OG 3.18Å; K159-S162 VanDerWaalsContact CA-OG 3.29Å; K159-S162 WeakPolarHBondContact CA-OG 3.46Å; S162-S164 PolarHBondContact O-N 2.78Å
163	A	42.2	Very low	51.9	Low	43 Å²	43	97.9 Å²	97.9	36%	0.355	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	11.7	143.3	0	0	0	0	0	112.7	R161 E168	R161-A163 VanDerWaalsContact C-N 3.26Å; R161-A163 PolarHBondContact O-N 3.07Å; A163-E168 VanDerWaalsContact O-CG 3.31Å; A163-E168 WeakPolarHBondContact O-CG 3.47Å
164	S	42.5	Very low	54.1	Low	94 Å²	94	90.1 Å²	90.1	66%	0.657	49%	0.485	S	S	*	.	S	Bend	trans	-127.4	3.4	-177.3	-170.2	0	0	0	0	114.5	R161 S162	R161-S164 VanDerWaalsContact O-CA 3.32Å; R161-S164 WeakPolarHBondContact O-CA 3.35Å; R161-S164 WeakPolarHBondContact O-CB 3.33Å; R161-S164 PolarHBondContact O-N 2.88Å; S162-S164 PolarHBondContact O-N 2.78Å
165	L	38.3	Very low	56	Low	140 Å²	140	84.9 Å²	84.9	73%	0.733	46%	0.458	S	S	*	.	S	Bend	trans	-111.5	2.8	-174.8	-89.6	157.3	0	0	0	115.6
166	H	41.2	Very low	58.2	Low	155 Å²	155	84.6 Å²	84.6	72%	0.718	45%	0.454	S	S	*	.	S	Bend	trans	-128.9	95.9	167.4	-72.2	-66.1	0	0	0	109.4	E168	H166-E168 PolarHBondContact O-N 3.12Å
167	S	47.3	Very low	60.1	Low	128 Å²	128	85.7 Å²	85.7	90%	0.895	46%	0.456	S	S	*	.			trans	23.2	54.9	167.3	68.9	0	0	0	0	115.5
168	E	49.4	Very low	62	Low	106 Å²	106	87.1 Å²	87.1	50%	0.495	47%	0.467	S	S	.	.			trans	-78.2	137.8	-179.4	-85	-74	134.5	0	0	107.1	A163 H166 L170	A163-E168 VanDerWaalsContact O-CG 3.31Å; A163-E168 WeakPolarHBondContact O-CG 3.47Å; H166-E168 PolarHBondContact O-N 3.12Å; E168-L170 PolarHBondContact O-N 3.03Å
169	P	50.1	Low	64.2	Low	70 Å²	70	90 Å²	90	46%	0.455	47%	0.474	S	S	.	.			trans	-53.3	140.5	174	22.3	-31.3	0	0	0	109.4	M171	P169-M171 CarbonylContact O-C 3.56Å; P169-M171 PolarHBondContact O-N 3.18Å
170	L	62.6	Low	66	Low	187 Å²	187	84.8 Å²	84.8	98%	0.979	46%	0.458	S	S	*	.	S	Bend	trans	-49.6	-23	179.7	-88.8	129.9	0	0	0	113.5	E168	E168-L170 PolarHBondContact O-N 3.03Å
171	M	73	Confident	67.8	Low	40 Å²	40	81.7 Å²	81.7	20%	0.197	45%	0.445	C	S	.	.	S	Bend	trans	-132.4	138.5	167.3	-69.7	-146.2	74.1	0	0	112.1	P169 A424 Q429	P169-M171 CarbonylContact O-C 3.56Å; P169-M171 PolarHBondContact O-N 3.18Å; M171-A424 HydrophobicContact CB-CB 3.67Å; M171-Q429 WeakPolarHBondContact CE-O 3.5Å; M171-Q429 HydrophobicContact SD-CB 3.71Å; M171-Q429 VanDerWaalsContact SD-CD 3.56Å; M171-Q429 HydrophobicContact SD-CG 4.18Å; M171-Q429 PolarHBondContact SD-OE1 3.27Å
172	P	83.3	Confident	69.4	Low	12 Å²	12	81.1 Å²	81.1	8%	0.078	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-74.2	156.3	176.7	35.6	-41.7	0	0	0	112.4	H369 A371 A424	P172-H369 HydrophobicContact CB-CB 3.35Å; P172-H369 HydrophobicContact CG-CB 3.95Å; P172-H369 WeakPolarHBondContact CG-ND1 3.46Å; P172-A371 HydrophobicContact CG-CB 4.04Å; P172-A424 WeakPolarHBondContact O-CB 3.46Å
173	H	87.8	Confident	70	Confident	133 Å²	133	86.5 Å²	86.5	62%	0.616	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-62.7	150.8	176.8	-66	34.1	0	0	0	111.4	T372	H173-T372 WeakPolarHBondContact O-CG2 3.35Å; H173-T372 PolarHBondContact O-OG1 2.93Å
174	N	90.8	Very high	69.9	Low	17 Å²	17	89.3 Å²	89.3	9%	0.091	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-87	160.4	178	-66.7	-36.4	0	0	0	110.2	V373 E425 Y426	N174-V373 WeakPolarHBondContact CA-O 2.89Å; N174-V373 WeakPolarHBondContact CB-O 3.32Å; N174-V373 WeakPolarHBondContact OD1-CB 2.92Å; N174-E425 HydrophobicContact CB-CG 4.46Å; N174-E425 PolarHBondContact N-OE1 3.08Å; N174-E425 VanDerWaalsContact N-OE1 3.08Å; N174-E425 PolarHBondContact ND2-N 2.76Å; N174-Y426 HydrophobicContact CB-CE2 4.47Å; N174-Y426 WeakPolarHBondContact ND2-CD2 3.22Å; N174-Y426 WeakPolarHBondContact ND2-CE2 3.39Å
175	A	91.7	Very high	69.6	Low	3 Å²	3	90.4 Å²	90.4	3%	0.025	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.9	177.6	0	0	0	0	0	109.7	F181 F368 T372 V373 C374 K375	A175-F181 HydrophobicContact CB-CE2 4.13Å; A175-F181 HydrophobicContact CB-CZ 4.49Å; A175-F368 HydrophobicContact CB-CD2 4.28Å; A175-F368 HydrophobicContact CB-CE2 3.83Å; A175-F368 HydrophobicContact CB-CZ 4.16Å; A175-T372 HydrophobicContact CB-CG2 4.05Å; A175-V373 PolarHBondContact N-O 2.68Å; A175-C374 CarbonylContact O-C 3.57Å; A175-C374 VanDerWaalsContact O-CA 3.31Å; A175-C374 WeakPolarHBondContact O-CA 3.34Å; A175-K375 PolarHBondContact O-N 2.92Å
176	T	93.3	Very high	69.2	Low	42 Å²	42	90 Å²	90	26%	0.258	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.8	171.3	-63.3	0	0	0	0	109.5	D179 S180 K375 P377	T176-D179 PolarHBondContact O-N 3.28Å; T176-D179 VanDerWaalsContact O-N 3.14Å; T176-S180 PolarHBondContact N-OG 2.88Å; T176-S180 PolarHBondContact O-N 3.24Å; T176-S180 PolarHBondContact O-OG 2.92Å; T176-K375 HydrophobicContact CG2-CB 4.41Å; T176-K375 HydrophobicContact CG2-CD 4.15Å; T176-K375 HydrophobicContact CG2-CG 4.49Å; T176-P377 HydrophobicContact CG2-CG 4.43Å
177	Y	92	Very high	68.8	Low	68 Å²	68	87.8 Å²	87.8	27%	0.267	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	138.8	176.9	-172.6	-90.5	0	0	0	111.1	F181 K375 P377 C380 S381 L382	Y177-F181 HydrophobicContact CD2-CB 4.12Å; Y177-F181 HydrophobicContact CD2-CD1 4.09Å; Y177-F181 AromaticContact CD2-CD2 3.51Å; Y177-F181 HydrophobicContact CD2-CD2 3.51Å; Y177-F181 HydrophobicContact CD2-CE1 4.39Å; Y177-F181 AromaticContact CD2-CE2 3.84Å; Y177-F181 HydrophobicContact CD2-CE2 3.84Å; Y177-F181 AromaticContact CD2-CG 3.64Å; Y177-F181 HydrophobicContact CD2-CG 3.64Å; Y177-F181 HydrophobicContact CD2-CZ 4.26Å; Y177-F181 HydrophobicContact CE2-CB 4.28Å; Y177-F181 HydrophobicContact CE2-CD2 4.45Å; Y177-F181 HydrophobicContact CE2-CG 4.17Å; Y177-F181 HydrophobicContact CG-CD2 4.2Å; Y177-F181 HydrophobicContact CG-CE2 4.32Å; Y177-K375 PolarHBondContact N-O 3.41Å; Y177-P377 WeakPolarHBondContact O-CD 3.43Å; Y177-P377 WeakPolarHBondContact O-CG 3.35Å; Y177-C380 HydrophobicContact CD1-CB 3.9Å; Y177-C380 HydrophobicContact CE1-CB 4.28Å; Y177-S381 WeakPolarHBondContact CE1-O 3.29Å; Y177-S381 PolarHBondContact OH-O 2.73Å; Y177-L382 HydrophobicContact CD2-CB 4.47Å; Y177-L382 HydrophobicContact CD2-CD1 3.65Å; Y177-L382 HydrophobicContact CE2-CD1 3.82Å
178	P	89.3	Confident	68.1	Low	64 Å²	64	86 Å²	86	42%	0.416	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.6	-7.7	0.3	35.5	-34.8	0	0	0	115	S180 F181	P178-S180 PolarHBondContact O-N 2.95Å; P178-F181 PolarHBondContact O-N 2.94Å
179	D	89.8	Confident	67.3	Low	114 Å²	114	88.7 Å²	88.7	61%	0.61	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-58.6	-43.1	-166.4	-59.5	-27.6	0	0	0	113.7	T176 F181	T176-D179 PolarHBondContact O-N 3.28Å; T176-D179 VanDerWaalsContact O-N 3.14Å; D179-F181 PolarHBondContact O-N 3Å
180	S	86.7	Confident	66.5	Low	51 Å²	51	90.7 Å²	90.7	36%	0.357	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-75.3	-8.6	179.9	-53.3	0	0	0	0	113.9	T176 P178 F368	T176-S180 PolarHBondContact N-OG 2.88Å; T176-S180 PolarHBondContact O-N 3.24Å; T176-S180 PolarHBondContact O-OG 2.92Å; P178-S180 PolarHBondContact O-N 2.95Å; S180-F368 VanDerWaalsContact O-CZ 3.28Å; S180-F368 WeakPolarHBondContact O-CZ 3.1Å
181	F	88.1	Confident	65.1	Low	24 Å²	24	87.7 Å²	87.7	11%	0.105	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-102.3	11.5	-170.3	-69.2	-103.5	0	0	0	113.4	A175 Y177 P178 D179 Q183 H366 F368 C374 L382	A175-F181 HydrophobicContact CB-CE2 4.13Å; A175-F181 HydrophobicContact CB-CZ 4.49Å; Y177-F181 HydrophobicContact CD2-CB 4.12Å; Y177-F181 HydrophobicContact CD2-CD1 4.09Å; Y177-F181 AromaticContact CD2-CD2 3.51Å; Y177-F181 HydrophobicContact CD2-CD2 3.51Å; Y177-F181 HydrophobicContact CD2-CE1 4.39Å; Y177-F181 AromaticContact CD2-CE2 3.84Å; Y177-F181 HydrophobicContact CD2-CE2 3.84Å; Y177-F181 AromaticContact CD2-CG 3.64Å; Y177-F181 HydrophobicContact CD2-CG 3.64Å; Y177-F181 HydrophobicContact CD2-CZ 4.26Å; Y177-F181 HydrophobicContact CE2-CB 4.28Å; Y177-F181 HydrophobicContact CE2-CD2 4.45Å; Y177-F181 HydrophobicContact CE2-CG 4.17Å; Y177-F181 HydrophobicContact CG-CD2 4.2Å; Y177-F181 HydrophobicContact CG-CE2 4.32Å; P178-F181 PolarHBondContact O-N 2.94Å; D179-F181 PolarHBondContact O-N 3Å; F181-Q183 PolarHBondContact O-N 2.85Å; F181-H366 AromaticContact CD1-CD2 3.7Å; F181-H366 AromaticContact CD1-CE1 3.77Å; F181-H366 AromaticContact CD1-CG 3.88Å; F181-H366 AromaticContact CD1-ND1 3.92Å; F181-H366 AromaticContact CD1-NE2 3.67Å; F181-H366 AromaticContact CE1-CE1 3.96Å; F181-H366 AromaticContact CE1-ND1 3.91Å; F181-F368 HydrophobicContact CD1-CE2 4.26Å; F181-F368 AromaticContact CE1-CE2 3.87Å; F181-F368 HydrophobicContact CE1-CE2 3.87Å; F181-F368 HydrophobicContact CE2-CE2 4.34Å; F181-F368 AromaticContact CZ-CE2 3.93Å; F181-F368 HydrophobicContact CZ-CE2 3.93Å; F181-C374 HydrophobicContact CZ-CB 3.98Å; F181-L382 HydrophobicContact CD1-CD1 3.93Å; F181-L382 HydrophobicContact CE1-CD1 3.46Å; F181-L382 VanDerWaalsContact CE1-CD1 3.46Å; F181-L382 HydrophobicContact CE1-CD2 4.11Å; F181-L382 HydrophobicContact CE1-CG 4.45Å; F181-L382 HydrophobicContact CZ-CD1 3.88Å; F181-L382 HydrophobicContact CZ-CD2 3.81Å
182	Q	77.6	Confident	63.1	Low	155 Å²	155	90.9 Å²	90.9	72%	0.724	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-67.3	122.3	175.5	-64.5	-178.1	0	0	0	109.6
183	Q	53.4	Low	60.7	Low	170 Å²	170	96.4 Å²	96.4	79%	0.794	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-64.4	138	173.1	-67.3	-159.7	-32.1	0	0	109.2	F181	F181-Q183 PolarHBondContact O-N 2.85Å
184	P	41.1	Very low	58	Low	102 Å²	102	95.5 Å²	95.5	66%	0.662	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-58.6	143.5	162.1	25.3	-29.9	0	0	0	108.3	C186	P184-C186 PolarHBondContact O-N 3.02Å
185	P	34.4	Very low	55.2	Low	117 Å²	117	103 Å²	103	76%	0.76	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-53.8	129.4	170.6	21.9	-29.8	0	0	0	108	S187	P185-S187 PolarHBondContact O-N 3.14Å
186	C	30.5	Very low	52	Low	133 Å²	133	107.2 Å²	107.2	90%	0.899	65%	0.651	S	S	*	*			trans	-43.6	102.8	-179.8	-123.3	0	0	0	0	109.6	P184 A188	P184-C186 PolarHBondContact O-N 3.02Å; C186-A188 PolarHBondContact O-N 3.09Å; C186-A188 VanDerWaalsContact O-N 3.1Å
187	S	32.1	Very low	49	Very low	108 Å²	108	114.5 Å²	114.5	76%	0.755	68%	0.68	S	S	*	*			trans	-71.2	107.4	166.9	-41.6	0	0	0	0	104.6	P185 L189	P185-S187 PolarHBondContact O-N 3.14Å; S187-L189 PolarHBondContact O-N 3.18Å
188	A	32.5	Very low	45.9	Very low	91 Å²	91	116.5 Å²	116.5	75%	0.752	70%	0.704	S	S	*	*			trans	-45.4	128.8	168.1	0	0	0	0	0	108.2	C186	C186-A188 PolarHBondContact O-N 3.09Å; C186-A188 VanDerWaalsContact O-N 3.1Å
189	L	33.6	Very low	42.9	Very low	161 Å²	161	122.9 Å²	122.9	84%	0.843	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-46.7	130.8	171.5	-71.2	158.4	0	0	0	108.5	S187	S187-L189 PolarHBondContact O-N 3.18Å
190	P	33.3	Very low	40.1	Very low	112 Å²	112	123.1 Å²	123.1	73%	0.727	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-63.3	136.4	175.7	25.2	-30.4	0	0	0	108.6	S192	P190-S192 PolarHBondContact O-N 2.86Å
191	P	32.3	Very low	37.8	Very low	124 Å²	124	126.2 Å²	126.2	81%	0.805	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-63.1	138.1	174.3	26.2	-30.8	0	0	0	109.2
192	S	32.2	Very low	34.9	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-56.2	147.8	178.1	-48.2	0	0	0	0	111.4	P190 S194	P190-S192 PolarHBondContact O-N 2.86Å; S192-S194 PolarHBondContact O-N 3.25Å
193	P	31.8	Very low	32.5	Very low	128 Å²	128	129.4 Å²	129.4	83%	0.831	79%	0.793	S	S	*	*			trans	-73.5	105.5	-177.7	29.6	-31	0	0	0	109.5
194	S	31.5	Very low	31.3	Very low	115 Å²	115	126 Å²	126	80%	0.804	79%	0.794	S	S	*	*			trans	-69.6	129.1	166.4	42.6	0	0	0	0	109.8	S192 A196	S192-S194 PolarHBondContact O-N 3.25Å; S194-A196 PolarHBondContact O-N 3.45Å
195	H	31.6	Very low	30.6	Very low	173 Å²	173	126.4 Å²	126.4	80%	0.801	80%	0.799	S	S	*	*			trans	-36.9	126.9	174.8	-92.9	-99.9	0	0	0	113.7	F197	H195-F197 PolarHBondContact O-N 2.83Å
196	A	25.9	Very low	30.2	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	80%	0.804	S	S	*	*			trans	-70.2	119.9	166.5	0	0	0	0	0	110.1	S194	S194-A196 PolarHBondContact O-N 3.45Å
197	F	29.2	Very low	30.9	Very low	196 Å²	196	129.1 Å²	129.1	86%	0.86	79%	0.788	S	S	*	*			trans	-125.9	130.3	147.9	-81.5	-73.7	0	0	0	108.8	H195	H195-F197 PolarHBondContact O-N 2.83Å
198	S	26.8	Very low	30.7	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	79%	0.788	S	S	*	*			trans	-54.5	143.6	-175	-50.7	0	0	0	0	114.6
199	Q	27.5	Very low	30.6	Very low	199 Å²	199	132.5 Å²	132.5	93%	0.93	79%	0.788	S	S	*	*				-165.8	146	124.1	-102.5	165.7	60.5	0	0	112.1
200	S	29.8	Very low	31	Very low	118 Å²	118	131 Å²	131	83%	0.825	79%	0.788	S	S	*	*			trans	-76.5	174.6	-164.5	-74.7	0	0	0	0	115.4
201	P	39.3	Very low	30.7	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	79%	0.791	S	S	*	*			trans	-108	159.4	-150.4	40.7	-33.1	0	0	0	114.5
202	C	26.1	Very low	30.4	Very low	117 Å²	117	129 Å²	129	79%	0.791	79%	0.791	S	S	*	*			trans	173	150.4	151.5	46.1	0	0	0	0	108.2
203	T	26.9	Very low	31.1	Very low	129 Å²	129	129.3 Å²	129.3	79%	0.791	79%	0.791	S	S	*	*			cis	-176.6	141.5	-11.6	21.4	0	0	0	0	104.9
204	A	29.2	Very low	31	Very low	97 Å²	97	129 Å²	129	80%	0.802	79%	0.792	S	S	*	*			trans	67.1	145.6	151.7	0	0	0	0	0	116.1
205	S	26.1	Very low	30.8	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	79%	0.794	S	S	*	*			cis	-162.7	154	11.5	-59.1	0	0	0	0	107.8
206	Y	25.9	Very low	31.2	Very low	220 Å²	220	129.1 Å²	129.1	86%	0.863	79%	0.789	S	S	*	*			trans	-64.8	-167.2	165.5	-70.3	-89.9	0	0	0	113.1
207	P	45.2	Very low	31.2	Very low	88 Å²	88	134 Å²	134	57%	0.571	80%	0.797	S	S	*	*			cis	-137.4	-175.1	-40.9	23.4	0.6	0	0	0	114.5
208	H	28.3	Very low	31.2	Very low	163 Å²	163	130 Å²	130	76%	0.755	79%	0.793	S	S	*	*			trans	87	109.7	155.9	-56.2	-55.3	0	0	0	118.6
209	S	29.1	Very low	31.9	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	78%	0.783	S	S	*	*				78.6	166.4	77.1	-58.2	0	0	0	0	113.6
210	P	43.8	Very low	32	Very low	131 Å²	131	128.9 Å²	128.9	85%	0.851	78%	0.776	S	S	*	*				-129.5	-178.3	-66.2	37.8	-21.1	0	0	0	111.7
211	G	25.4	Very low	31.9	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	77%	0.767	S	S	*	*			trans	132.7	109.1	153.1	0	0	0	0	0	117.7
212	S	26.9	Very low	31.4	Very low	116 Å²	116	131.6 Å²	131.6	81%	0.811	77%	0.765	S	S	*	*			trans	-61.4	-158.4	167.7	-33.8	0	0	0	0	113.4
213	P	47.3	Very low	31.4	Very low	114 Å²	114	130.7 Å²	130.7	74%	0.74	76%	0.76	S	S	*	*				-127.2	171.1	-50.3	29.4	-11.6	0	0	0	110.8
214	S	28.6	Very low	31.4	Very low	122 Å²	122	130.2 Å²	130.2	85%	0.853	76%	0.757	S	S	*	*			trans	172.2	117	138.9	29.2	0	0	0	0	113.6
215	E	27.6	Very low	31.3	Very low	182 Å²	182	132.8 Å²	132.8	85%	0.85	76%	0.757	S	S	*	*			trans	-70.5	170.6	143	-78.2	-164	148.2	0	0	109.2
216	P	41	Very low	31.5	Very low	108 Å²	108	133.1 Å²	133.1	70%	0.701	75%	0.754	S	S	*	*			cis	-155.1	179.2	36.3	41	-16.8	0	0	0	119.9
217	E	25.7	Very low	32.1	Very low	196 Å²	196	128.5 Å²	128.5	92%	0.916	75%	0.752	S	S	*	*			trans	85.8	141.2	146.4	-85.7	-176.7	141.9	0	0	124.5
218	S	29.6	Very low	31.8	Very low	110 Å²	110	129.2 Å²	129.2	77%	0.769	76%	0.756	S	S	*	*			trans	-87.1	-160.5	-169	-153.9	0	0	0	0	112.4
219	P	41.6	Very low	32	Very low	87 Å²	87	128 Å²	128	57%	0.565	75%	0.754	S	S	*	*			cis	-143	-175.3	-8.1	21.1	8	0	0	0	116.8
220	Y	27.5	Very low	32	Very low	199 Å²	199	128.4 Å²	128.4	78%	0.78	76%	0.755	S	S	*	*			trans	84.9	138.9	163.9	-59.7	-72.3	0	0	0	118.1
221	Q	29.2	Very low	31.3	Very low	138 Å²	138	132 Å²	132	65%	0.645	75%	0.753	S	S	*	*			cis	-175.6	155.8	-4.3	-135.9	171.8	-8.5	0	0	110
222	H	29.1	Very low	31.5	Very low	153 Å²	153	137.2 Å²	137.2	71%	0.708	76%	0.756	S	S	*	*			trans	68.9	145.7	157.6	-60.4	-60.4	0	0	0	119.9
223	S	24.9	Very low	31.5	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	75%	0.752	S	S	*	*			cis	179.2	166	-17.6	42.2	0	0	0	0	107.6
224	V	26.6	Very low	30.5	Very low	120 Å²	120	136.7 Å²	136.7	73%	0.727	76%	0.755	S	S	*	*			trans	114.6	118.3	150.3	-170.2	0	0	0	0	119.2
225	D	28.1	Very low	30.4	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	76%	0.756	S	S	*	*			trans	62.9	125.5	146.1	-67.5	-33.9	0	0	0	126.7
226	T	30.2	Very low	30.2	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	75%	0.752	S	S	*	*			trans	-70	163	161.4	-15.5	0	0	0	0	112.2
227	P	37.3	Very low	29.5	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	76%	0.761	S	S	*	*				-149.4	169.5	81.9	36.3	-16.4	0	0	0	116.8
228	P	40.7	Very low	29.4	Very low	102 Å²	102	135.7 Å²	135.7	66%	0.662	76%	0.758	S	S	*	*			trans	-114.9	-179.1	179.1	39.7	-26.9	0	0	0	115.9
229	L	30.7	Very low	29.2	Very low	138 Å²	138	136 Å²	136	72%	0.723	76%	0.756	S	S	*	*			trans	89.4	150.5	164.4	-55.3	171.6	0	0	0	117.2	Y231	L229-Y231 HydrophobicContact CD2-CD2 4.31Å; L229-Y231 HydrophobicContact CD2-CE2 4.43Å
230	P	30.1	Very low	28.5	Very low	115 Å²	115	140.8 Å²	140.8	75%	0.747	77%	0.77	S	S	*	*				-143	142.1	82.4	31	-10.2	0	0	0	117.1
231	Y	29.4	Very low	28.3	Very low	206 Å²	206	137 Å²	137	81%	0.808	77%	0.773	S	S	*	*			trans	-76.7	152.2	150.8	-82.9	-97	0	0	0	109.9	L229	L229-Y231 HydrophobicContact CD2-CD2 4.31Å; L229-Y231 HydrophobicContact CD2-CE2 4.43Å
232	H	29.6	Very low	28.1	Very low	186 Å²	186	134.1 Å²	134.1	86%	0.861	78%	0.78	S	S	*	*			trans	-126.3	135.9	157.8	-96.3	-85.6	0	0	0	110.2
233	A	26	Very low	28.1	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	79%	0.79	S	S	*	*			trans	-136.4	142.6	175.7	0	0	0	0	0	109
234	T	27.4	Very low	28.7	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	79%	0.791	S	S	*	*			trans	173	147.6	147.5	13.3	0	0	0	0	107
235	E	25.1	Very low	28.8	Very low	185 Å²	185	138.2 Å²	138.2	86%	0.864	80%	0.8	S	S	*	*			cis	-164.3	169.4	27.4	-133.6	163.6	-155.7	0	0	111.1
236	A	25.3	Very low	28.8	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	80%	0.802	S	S	*	*			trans	-98	167.3	-164.3	0	0	0	0	0	116
237	S	24.5	Very low	28.6	Very low	128 Å²	128	136.9 Å²	136.9	90%	0.895	80%	0.8	S	S	*	*			trans	-162.3	140.8	151	-66.7	0	0	0	0	111.8
238	E	24.7	Very low	28.7	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	80%	0.803	S	S	*	*			trans	-79.1	156.2	-167.2	-54.4	168.5	132.2	0	0	114
239	T	25.3	Very low	28.2	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	81%	0.811	S	S	*	*				174.2	144.3	76.9	20.5	0	0	0	0	112.2
240	Q	26.3	Very low	28.2	Very low	186 Å²	186	138.4 Å²	138.4	87%	0.869	82%	0.816	S	S	*	*			trans	46.3	138.2	149.3	-64.6	178.7	25.6	0	0	120.7
241	S	24.1	Very low	28.2	Very low	120 Å²	120	144 Å²	144	84%	0.839	82%	0.822	S	S	*	*			cis	-170.7	150.7	20.8	55.1	0	0	0	0	111.6
242	G	25.2	Very low	28.3	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	82%	0.819	S	S	*	*			trans	99.1	84.7	139.9	0	0	0	0	0	122.2
243	Q	28.5	Very low	28.4	Very low	198 Å²	198	140.1 Å²	140.1	93%	0.925	82%	0.815	S	S	*	*			trans	40.5	160.3	136.1	-86.3	-155.2	-18.4	0	0	125.2
244	P	38.4	Very low	28.7	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	81%	0.812	S	S	*	*			trans	-112.3	163.3	-130.4	42.1	-34.6	0	0	0	115.7
245	V	28.3	Very low	29.1	Very low	153 Å²	153	142.5 Å²	142.5	93%	0.927	81%	0.814	S	S	*	*			trans	-143.7	141.5	153.2	-74.7	0	0	0	0	112.3
246	D	27	Very low	29.4	Very low	159 Å²	159	139.3 Å²	139.3	85%	0.85	81%	0.812	S	S	*	*			trans	-66.5	157.7	-177.8	-169.8	19.4	0	0	0	114.2
247	A	26.7	Very low	30.2	Very low	80 Å²	80	140.2 Å²	140.2	66%	0.661	80%	0.803	S	S	*	*			trans	143.4	111.1	144.7	0	0	0	0	0	113	A249	A247-A249 PolarHBondContact O-N 3.26Å
248	T	40.2	Very low	31.1	Very low	144 Å²	144	139.7 Å²	139.7	88%	0.883	80%	0.796	S	S	*	*			trans	-25.3	113.9	158.5	49.7	0	0	0	0	114.9
249	A	29.3	Very low	32.1	Very low	100 Å²	100	139.7 Å²	139.7	83%	0.826	80%	0.802	S	S	*	*			trans	-104.2	115.8	169.9	0	0	0	0	0	110.7	A247	A247-A249 PolarHBondContact O-N 3.26Å
250	D	29.9	Very low	33.5	Very low	153 Å²	153	136 Å²	136	82%	0.818	79%	0.787	S	S	*	*			trans	-46.6	135.2	169.9	-110.4	-38.4	0	0	0	112.7	H252	D250-H252 PolarHBondContact O-N 3.26Å
251	R	31	Very low	35.7	Very low	231 Å²	231	131.3 Å²	131.3	87%	0.872	77%	0.768	S	S	*	*			trans	-79.4	72.4	175.9	-129.2	172.7	84.6	172.5	6.4	109.7	L253	R251-L253 PolarHBondContact O-N 3.47Å
252	H	31.4	Very low	38.3	Very low	161 Å²	161	129.5 Å²	129.5	75%	0.745	75%	0.745	S	S	*	*			trans	-70.9	107.3	168.7	-119.7	-96.2	0	0	0	109.1	D250 V254	D250-H252 PolarHBondContact O-N 3.26Å; H252-V254 VanDerWaalsContact C-N 3.29Å; H252-V254 HydrophobicContact CB-CG2 4.46Å; H252-V254 PolarHBondContact O-N 3.05Å
253	L	31.5	Very low	41.1	Very low	151 Å²	151	131.9 Å²	131.9	79%	0.791	73%	0.73	S	S	*	*			trans	-69.5	89.3	166.6	-72.2	170.6	0	0	0	108.3	R251 L255	R251-L253 PolarHBondContact O-N 3.47Å; L253-L255 PolarHBondContact O-N 3.48Å
254	V	32.7	Very low	44	Very low	110 Å²	110	126.4 Å²	126.4	67%	0.667	71%	0.712	S	S	*	*			trans	-75.1	102.8	170.5	-175.1	0	0	0	0	107.6	H252 S256	H252-V254 VanDerWaalsContact C-N 3.29Å; H252-V254 HydrophobicContact CB-CG2 4.46Å; H252-V254 PolarHBondContact O-N 3.05Å; V254-S256 PolarHBondContact O-N 3.35Å; V254-S256 VanDerWaalsContact O-N 3.12Å
255	L	35.4	Very low	46.5	Very low	159 Å²	159	121.6 Å²	121.6	83%	0.832	68%	0.68	S	S	*	*			trans	-65.6	104.5	162.6	-82.3	159.1	0	0	0	107.7	L253 I257	L253-L255 PolarHBondContact O-N 3.48Å; L255-I257 PolarHBondContact O-N 2.82Å; L255-I257 VanDerWaalsContact O-N 3.12Å
256	S	32.8	Very low	49.6	Very low	117 Å²	117	117.8 Å²	117.8	82%	0.818	66%	0.66	S	S	*	*			trans	-68.1	103.8	172.4	-49.8	0	0	0	0	109.5	V254	V254-S256 PolarHBondContact O-N 3.35Å; V254-S256 VanDerWaalsContact O-N 3.12Å
257	I	40.8	Very low	52.7	Low	113 Å²	113	112.3 Å²	112.3	58%	0.579	63%	0.628	S	S	*	*			trans	-90.4	134.4	171.7	-58.5	177.8	0	0	0	108.1	L143 L255	L143-I257 HydrophobicContact CD1-CD1 4.2Å; L255-I257 PolarHBondContact O-N 2.82Å; L255-I257 VanDerWaalsContact O-N 3.12Å
258	P	43.1	Very low	55.7	Low	116 Å²	116	113.5 Å²	113.5	75%	0.753	62%	0.619	S	S	*	*			trans	-70.4	139.7	178.5	-0.9	15.3	0	0	0	111.5	G260	P258-G260 PolarHBondContact O-N 3.26Å
259	N	45.6	Very low	58	Low	181 Å²	181	110.7 Å²	110.7	97%	0.968	60%	0.596	S	S	*	*	S	Bend	trans	1	81.6	166.8	-84.6	9	0	0	0	117.7
260	G	55	Low	61	Low	40 Å²	40	107.3 Å²	107.3	41%	0.412	57%	0.566	S	S	.	*			trans	-142.6	134.6	154.6	0	0	0	0	0	109.1	P258 F262	P258-G260 PolarHBondContact O-N 3.26Å; G260-F262 VanDerWaalsContact C-CD2 3.48Å; G260-F262 VanDerWaalsContact O-CD2 3.29Å; G260-F262 WeakPolarHBondContact O-CD2 3.43Å; G260-F262 PolarHBondContact O-N 3Å
261	D	72.4	Confident	63.8	Low	88 Å²	88	107.6 Å²	107.6	47%	0.471	56%	0.562	S	S	.	*			trans	-71.3	76	178.5	-103.2	-27.9	0	0	0	110.1	R146 H147	R146-D261 HydrophobicContact CB-CB 4.1Å; R146-D261 WeakPolarHBondContact CB-O 3.45Å; R146-D261 HydrophobicContact CG-CB 4.16Å; R146-D261 VanDerWaalsContact CG-O 3.31Å; R146-D261 WeakPolarHBondContact CG-O 3.43Å; R146-D261 IonicContact CZ-OD1 2.71Å; R146-D261 PolarHBondContact N-O 2.92Å; R146-D261 IonicContact NE-OD1 3.76Å; R146-D261 IonicContact NH1-OD1 2.7Å; R146-D261 PolarHBondContact NH1-OD1 3.14Å; R146-D261 IonicContact NH1-OD2 3.5Å; H147-D261 IonicContact CE1-OD2 2.73Å
262	F	78.3	Confident	66.8	Low	81 Å²	81	98.7 Å²	98.7	36%	0.355	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.9	177.7	-63.6	-83.6	0	0	0	111.2	L143 V144 P145 G260	L143-F262 HydrophobicContact CB-CB 4.28Å; L143-F262 HydrophobicContact CB-CD1 4.24Å; L143-F262 HydrophobicContact CB-CG 4.49Å; V144-F262 CarbonylContact O-C 3.59Å; V144-F262 WeakPolarHBondContact O-CA 3.28Å; P145-F262 HydrophobicContact CB-CD1 4.19Å; P145-F262 HydrophobicContact CB-CE1 4.01Å; P145-F262 HydrophobicContact CG-CD1 4.18Å; P145-F262 HydrophobicContact CG-CE1 3.87Å; G260-F262 VanDerWaalsContact C-CD2 3.48Å; G260-F262 VanDerWaalsContact O-CD2 3.29Å; G260-F262 WeakPolarHBondContact O-CD2 3.43Å; G260-F262 PolarHBondContact O-N 3Å
263	R	84.3	Confident	69.8	Low	128 Å²	128	91.9 Å²	91.9	48%	0.483	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.5	171.4	-70.2	-176.2	175.6	-179.9	-0.4	109.9	V144 R146	V144-R263 PolarHBondContact N-O 3.33Å; V144-R263 PolarHBondContact O-N 3.21Å; R146-R263 HydrophobicContact CG-CG 4.19Å
264	P	89.5	Confident	73	Confident	83 Å²	83	84.8 Å²	84.8	54%	0.539	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.3	176.2	30.3	-32.8	0	0	0	111	P141 L143	P141-P264 HydrophobicContact CB-CB 4.08Å; P141-P264 HydrophobicContact CG-CB 4.49Å; L143-P264 HydrophobicContact CD2-CB 4.02Å
265	V	91.9	Very high	76.1	Confident	5 Å²	5	80.1 Å²	80.1	3%	0.03	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	105.3	173.9	-172.2	0	0	0	0	109.2	P141 V142 V144 W448 K451 V452 Q455	P141-V265 WeakPolarHBondContact CA-O 3.43Å; V142-V265 PolarHBondContact N-O 2.58Å; V142-V265 PolarHBondContact O-N 3.3Å; V144-V265 HydrophobicContact CG2-CG2 3.88Å; V265-W448 PolarHBondContact O-NE1 3.49Å; V265-K451 HydrophobicContact CG1-CB 3.54Å; V265-K451 HydrophobicContact CG1-CD 4.34Å; V265-V452 HydrophobicContact CB-CG2 4.04Å; V265-V452 HydrophobicContact CG1-CG2 4Å; V265-V452 HydrophobicContact CG2-CG2 4.23Å; V265-Q455 VanDerWaalsContact CG2-NE2 3.34Å
266	C	92.5	Very high	79.1	Confident	74 Å²	74	72.6 Å²	72.6	50%	0.5	39%	0.394	S	S	.	.			trans	-79.6	147.7	-180	-60	0	0	0	0	112.1
267	Y	92.8	Very high	82.2	Confident	44 Å²	44	67.3 Å²	67.3	17%	0.173	36%	0.357	C	S	.	.			trans	-73.3	137.6	168.9	-177.8	-100.8	0	0	0	110.5	L139 E269 N387 W448	L139-Y267 HydrophobicContact CD1-CD1 3.93Å; L139-Y267 HydrophobicContact CD1-CD2 4.22Å; L139-Y267 HydrophobicContact CD1-CE1 4.27Å; L139-Y267 HydrophobicContact CD1-CG 3.89Å; Y267-E269 HydrophobicContact CE1-CB 4.3Å; Y267-N387 PolarHBondContact OH-ND2 2.99Å; Y267-W448 HydrophobicContact CD2-CB 4.04Å; Y267-W448 AromaticContact CD2-CD2 3.7Å; Y267-W448 HydrophobicContact CD2-CD2 3.7Å; Y267-W448 AromaticContact CD2-CE3 3.28Å; Y267-W448 HydrophobicContact CD2-CE3 3.28Å; Y267-W448 HydrophobicContact CD2-CG 4.08Å; Y267-W448 AromaticContact CD2-CZ3 3.85Å; Y267-W448 HydrophobicContact CD2-CZ3 3.85Å; Y267-W448 HydrophobicContact CE2-CE3 4.1Å; Y267-W448 HydrophobicContact CG-CD2 4.31Å; Y267-W448 AromaticContact CG-CE3 3.99Å; Y267-W448 HydrophobicContact CG-CE3 3.99Å; Y267-W448 HydrophobicContact CG-CZ3 4.18Å
268	E	89.6	Confident	85	Confident	105 Å²	105	62 Å²	62	49%	0.491	33%	0.33	S	S	.	.			trans	-127.2	137.7	172.2	-77.8	166.4	-143.4	0	0	108.8	P270 K451	E268-P270 WeakPolarHBondContact O-CD 3.45Å; E268-K451 IonicContact OE1-NZ 3.22Å; E268-K451 PolarHBondContact OE1-NZ 3.32Å; E268-K451 IonicContact OE2-NZ 2.73Å; E268-K451 PolarHBondContact OE2-NZ 3.05Å
269	E	88.4	Confident	87.6	Confident	84 Å²	84	58.4 Å²	58.4	39%	0.393	30%	0.302	S	S	.	.			trans	-86.2	120.3	-177.9	-162.1	150.9	-129.7	0	0	109.8	Y267 R294 Y340	Y267-E269 HydrophobicContact CE1-CB 4.3Å; E269-R294 VanDerWaalsContact CD-NH2 3.25Å; E269-R294 IonicContact OE1-NH2 3.87Å; E269-R294 IonicContact OE2-CZ 2.82Å; E269-R294 IonicContact OE2-NH2 2.68Å; E269-R294 PolarHBondContact OE2-NH2 2.96Å; E269-Y340 WeakPolarHBondContact OE1-CE1 3.45Å; E269-Y340 VanDerWaalsContact OE1-CZ 3.26Å; E269-Y340 PolarHBondContact OE1-OH 3.06Å
270	P	91.7	Very high	90.2	Very high	29 Å²	29	49.9 Å²	49.9	19%	0.188	26%	0.256	C	S	.	.			trans	-75.9	160	-176.2	30.8	-37.4	0	0	0	112.4	E268 H272 H443	E268-P270 WeakPolarHBondContact O-CD 3.45Å; P270-H272 VanDerWaalsContact C-N 3.31Å; P270-H272 WeakPolarHBondContact CB-O 3.31Å; P270-H272 WeakPolarHBondContact CG-O 3.42Å; P270-H272 PolarHBondContact O-N 2.84Å; P270-H443 HydrophobicContact CB-CB 4.19Å; P270-H443 HydrophobicContact CG-CB 3.76Å
271	Q	89	Confident	92.2	Very high	160 Å²	160	50.2 Å²	50.2	75%	0.748	25%	0.248	S	C	*	.	S	Bend	trans	-60.1	-40.7	175.9	-176.1	-176.9	15.8	0	0	112.7
272	H	94.1	Very high	93.4	Very high	43 Å²	43	51.5 Å²	51.5	20%	0.199	26%	0.255	C	S	.	.	S	Bend	trans	-107.3	124.9	170.9	-62.6	-75.7	0	0	0	107.6	P270 A291 S292 H443	P270-H272 VanDerWaalsContact C-N 3.31Å; P270-H272 WeakPolarHBondContact CB-O 3.31Å; P270-H272 WeakPolarHBondContact CG-O 3.42Å; P270-H272 PolarHBondContact O-N 2.84Å; H272-A291 VanDerWaalsContact CA-O 3.3Å; H272-A291 WeakPolarHBondContact CA-O 3.3Å; H272-S292 PolarHBondContact CE1-OG 3.46Å; H272-S292 PolarHBondContact ND1-OG 2.96Å; H272-H443 VanDerWaalsContact O-CB 3.31Å; H272-H443 WeakPolarHBondContact O-CB 3.49Å; H272-H443 PolarHBondContact O-ND1 3.04Å; H272-H443 VanDerWaalsContact O-ND1 3.12Å
273	W	95.5	Very high	94.4	Very high	19 Å²	19	50.5 Å²	50.5	7%	0.072	25%	0.253	C	S	.	.	S	Bend	trans	-83.5	-26.7	-176.6	68.7	-89.4	0	0	0	112.1	A291 S293 L338 Y340 V345 L442 H443	W273-A291 VanDerWaalsContact CD1-O 3.26Å; W273-A291 HydrophobicContact CZ2-CB 4.23Å; W273-A291 PolarHBondContact N-O 3.21Å; W273-A291 VanDerWaalsContact N-O 3.12Å; W273-S293 PolarHBondContact NE1-O 3.06Å; W273-L338 HydrophobicContact CH2-CB 4.18Å; W273-Y340 HydrophobicContact CB-CD1 4.27Å; W273-Y340 HydrophobicContact CD2-CG 4.36Å; W273-Y340 HydrophobicContact CE3-CG 4.29Å; W273-Y340 HydrophobicContact CG-CD1 4.33Å; W273-V345 HydrophobicContact CE3-CG2 4.38Å; W273-V345 HydrophobicContact CH2-CG1 4.04Å; W273-V345 HydrophobicContact CZ3-CG1 3.77Å; W273-V345 HydrophobicContact CZ3-CG2 3.91Å; W273-L442 HydrophobicContact CE3-CD2 4.16Å; W273-L442 HydrophobicContact CZ3-CD2 3.88Å; W273-H443 PolarHBondContact O-N 3.23Å
274	C	97.7	Very high	95	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	164.7	170.1	73.3	0	0	0	0	113.4	A291 I440 H441 L442	C274-A291 WeakPolarHBondContact O-CB 3.05Å; C274-A291 PolarHBondContact O-N 3.37Å; C274-A291 VanDerWaalsContact SG-CB 3.52Å; C274-I440 HydrophobicContact CB-CG2 4.04Å; C274-H441 CarbonylContact C-O 3.58Å; C274-H441 WeakPolarHBondContact CA-O 3.21Å; C274-H441 WeakPolarHBondContact CB-O 3.37Å; C274-L442 HydrophobicContact CB-CD2 3.97Å
275	S	97.9	Very high	95.5	Very high	13 Å²	13	47.4 Å²	47.4	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.9	164.6	63.6	0	0	0	0	111	F289 I440 H441 H443	S275-F289 CarbonylContact C-O 3.59Å; S275-F289 VanDerWaalsContact CA-O 3.25Å; S275-F289 WeakPolarHBondContact CA-O 3.21Å; S275-I440 CarbonylContact O-C 3.6Å; S275-I440 WeakPolarHBondContact O-CA 3.29Å; S275-H441 PolarHBondContact N-O 2.73Å; S275-H441 PolarHBondContact O-N 2.91Å; S275-H443 VanDerWaalsContact CB-NE2 3.34Å; S275-H443 WeakPolarHBondContact CB-NE2 3.24Å; S275-H443 PolarHBondContact N-NE2 3.15Å; S275-H443 PolarHBondContact OG-NE2 2.92Å; S275-H443 VanDerWaalsContact OG-NE2 3.09Å
276	V	98.4	Very high	95.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.6	-176.7	-171.7	0	0	0	0	110	T288 F289 I298 F311 I438 E439 I440	V276-T288 WeakPolarHBondContact O-CA 3.22Å; V276-F289 HydrophobicContact CB-CB 4.41Å; V276-F289 PolarHBondContact N-O 3.44Å; V276-F289 PolarHBondContact O-N 2.9Å; V276-I298 HydrophobicContact CG1-CD1 4.02Å; V276-I298 HydrophobicContact CG2-CD1 4.19Å; V276-F311 HydrophobicContact CB-CD1 4.29Å; V276-F311 HydrophobicContact CB-CE1 4.3Å; V276-F311 HydrophobicContact CG1-CD1 4.17Å; V276-F311 HydrophobicContact CG1-CE1 4.08Å; V276-I438 HydrophobicContact CG1-CB 3.78Å; V276-I438 HydrophobicContact CG1-CD1 3.97Å; V276-I438 HydrophobicContact CG1-CG1 4.41Å; V276-I438 HydrophobicContact CG1-CG2 3.93Å; V276-E439 WeakPolarHBondContact CA-O 3.41Å; V276-I440 HydrophobicContact CG1-CG1 4.28Å; V276-I440 HydrophobicContact CG2-CG1 4.22Å; V276-I440 HydrophobicContact CG2-CG2 4.45Å
277	A	98.6	Very high	95.7	Very high	5 Å²	5	53.6 Å²	53.6	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.6	173.5	0	0	0	0	0	109.9	Y279 I438 E439	A277-Y279 HydrophobicContact CB-CD2 4.47Å; A277-Y279 HydrophobicContact CB-CE2 3.64Å; A277-I438 CarbonylContact O-C 3.53Å; A277-I438 WeakPolarHBondContact O-CA 3.42Å; A277-E439 PolarHBondContact N-O 3.2Å; A277-E439 PolarHBondContact O-N 2.89Å
278	Y	98.8	Very high	95.9	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.2	178.3	173.4	-113.3	0	0	0	111.5	E280 V285 L313 L316 R329 C436 W437 I438	Y278-E280 HydrophobicContact CE1-CG 3.66Å; Y278-E280 VanDerWaalsContact CE1-OE1 3.3Å; Y278-E280 WeakPolarHBondContact CE1-OE1 3.4Å; Y278-E280 WeakPolarHBondContact OH-CG 3.29Å; Y278-E280 PolarHBondContact OH-OE1 2.75Å; Y278-V285 HydrophobicContact CD1-CB 3.76Å; Y278-V285 HydrophobicContact CD1-CG1 4.04Å; Y278-V285 HydrophobicContact CE1-CB 3.96Å; Y278-V285 HydrophobicContact CE1-CG1 4.01Å; Y278-V285 PolarHBondContact O-N 2.96Å; Y278-L313 HydrophobicContact CD1-CD2 4.25Å; Y278-L313 HydrophobicContact CD2-CD1 3.79Å; Y278-L313 HydrophobicContact CD2-CD2 3.86Å; Y278-L313 HydrophobicContact CD2-CG 4.36Å; Y278-L313 HydrophobicContact CE2-CD1 3.85Å; Y278-L313 HydrophobicContact CE2-CD2 4.49Å; Y278-L313 HydrophobicContact CG-CD1 4.48Å; Y278-L313 HydrophobicContact CG-CD2 3.72Å; Y278-L316 HydrophobicContact CD1-CD1 3.54Å; Y278-L316 HydrophobicContact CE1-CD1 4.23Å; Y278-L316 HydrophobicContact CG-CD1 4.2Å; Y278-R329 PolarHBondContact OH-NH1 2.89Å; Y278-R329 VanDerWaalsContact OH-NH1 3.15Å; Y278-C436 HydrophobicContact CE2-CB 4.04Å; Y278-C436 PolarHBondContact OH-SG 3.17Å; Y278-C436 VanDerWaalsContact OH-SG 3.38Å; Y278-W437 VanDerWaalsContact CD2-O 3.28Å; Y278-W437 WeakPolarHBondContact CD2-O 3.46Å; Y278-I438 HydrophobicContact CD2-CG2 3.95Å
279	Y	98.8	Very high	96.2	Very high	42 Å²	42	50 Å²	50	17%	0.165	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.6	-177.2	-68	-98	0	0	0	111.3	A277 N283 R284 W437 E439	A277-Y279 HydrophobicContact CB-CD2 4.47Å; A277-Y279 HydrophobicContact CB-CE2 3.64Å; Y279-N283 CarbonylContact C-O 3.58Å; Y279-N283 VanDerWaalsContact CA-O 3.24Å; Y279-N283 WeakPolarHBondContact CA-O 3.19Å; Y279-R284 HydrophobicContact CD1-CB 3.98Å; Y279-R284 HydrophobicContact CE1-CB 3.62Å; Y279-R284 HydrophobicContact CE1-CG 4.13Å; Y279-W437 VanDerWaalsContact CB-NE1 3.31Å; Y279-W437 HydrophobicContact CD1-CH2 4.23Å; Y279-W437 AromaticContact CD1-CZ2 3.79Å; Y279-W437 HydrophobicContact CD1-CZ2 3.79Å; Y279-W437 HydrophobicContact CD2-CD2 4.38Å; Y279-W437 HydrophobicContact CD2-CE3 4.29Å; Y279-W437 AromaticContact CD2-CH2 3.78Å; Y279-W437 HydrophobicContact CD2-CH2 3.78Å; Y279-W437 AromaticContact CD2-CZ2 3.88Å; Y279-W437 HydrophobicContact CD2-CZ2 3.88Å; Y279-W437 HydrophobicContact CD2-CZ3 4.02Å; Y279-W437 HydrophobicContact CE1-CZ2 4.44Å; Y279-W437 HydrophobicContact CE2-CH2 4.11Å; Y279-W437 HydrophobicContact CE2-CZ3 4.41Å; Y279-W437 HydrophobicContact CG-CD2 4.32Å; Y279-W437 AromaticContact CG-CE2 3.74Å; Y279-W437 AromaticContact CG-CH2 3.87Å; Y279-W437 HydrophobicContact CG-CH2 3.87Å; Y279-W437 AromaticContact CG-CZ2 3.48Å; Y279-W437 HydrophobicContact CG-CZ2 3.48Å; Y279-W437 VanDerWaalsContact CG-CZ2 3.48Å; Y279-W437 HydrophobicContact CG-CZ3 4.45Å; Y279-W437 PolarHBondContact N-O 2.98Å; Y279-W437 PolarHBondContact O-N 3.46Å; Y279-E439 HydrophobicContact CE2-CB 4.04Å
280	E	98.7	Very high	96.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110.3	166.9	-67.4	179.8	-179.8	0	0	107.8	Y278 N282 N283 V285 N318 R321 I325 R329 P435	Y278-E280 HydrophobicContact CE1-CG 3.66Å; Y278-E280 VanDerWaalsContact CE1-OE1 3.3Å; Y278-E280 WeakPolarHBondContact CE1-OE1 3.4Å; Y278-E280 WeakPolarHBondContact OH-CG 3.29Å; Y278-E280 PolarHBondContact OH-OE1 2.75Å; E280-N282 PolarHBondContact O-N 3.43Å; E280-N283 PolarHBondContact N-O 3.33Å; E280-N283 PolarHBondContact O-N 2.63Å; E280-V285 HydrophobicContact CB-CG2 3.94Å; E280-V285 HydrophobicContact CG-CG2 3.92Å; E280-N318 WeakPolarHBondContact OE2-CB 3.4Å; E280-N318 PolarHBondContact OE2-ND2 3.33Å; E280-R321 IonicContact OE1-CZ 3.39Å; E280-R321 IonicContact OE1-NE 3.23Å; E280-R321 PolarHBondContact OE1-NE 2.94Å; E280-R321 IonicContact OE1-NH2 2.76Å; E280-R321 PolarHBondContact OE1-NH2 2.91Å; E280-R321 IonicContact OE2-CZ 3.66Å; E280-R321 IonicContact OE2-NE 2.98Å; E280-R321 PolarHBondContact OE2-NE 3.09Å; E280-R321 IonicContact OE2-NH2 3.44Å; E280-R321 PolarHBondContact OE2-NH2 2.79Å; E280-I325 HydrophobicContact CB-CD1 4.18Å; E280-I325 HydrophobicContact CB-CG2 4.17Å; E280-I325 VanDerWaalsContact CD-CG2 3.45Å; E280-I325 HydrophobicContact CG-CG2 3.8Å; E280-I325 WeakPolarHBondContact OE2-CG2 3.27Å; E280-R329 WeakPolarHBondContact OE1-CD 3.43Å; E280-R329 IonicContact OE1-CZ 3.78Å; E280-R329 IonicContact OE1-NE 3.85Å; E280-R329 IonicContact OE1-NH1 3.24Å; E280-R329 PolarHBondContact OE1-NH1 3.3Å; E280-P435 VanDerWaalsContact CA-O 3.29Å; E280-P435 WeakPolarHBondContact CA-O 3.4Å
281	L	98.4	Very high	96.6	Very high	48 Å²	48	48.4 Å²	48.4	25%	0.251	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-121.8	-166.5	-56.7	169.8	0	0	0	111.2	I325 T432 T434 W437	L281-I325 HydrophobicContact CD1-CD1 3.98Å; L281-I325 HydrophobicContact CG-CD1 4.1Å; L281-T432 CarbonylContact C-O 3.15Å; L281-T432 WeakPolarHBondContact CA-O 3.35Å; L281-T432 WeakPolarHBondContact CB-O 3.1Å; L281-T434 WeakPolarHBondContact CA-O 3.34Å; L281-T434 PolarHBondContact N-O 2.85Å; L281-W437 PolarHBondContact O-NE1 2.85Å
282	N	97.6	Very high	96.7	Very high	114 Å²	114	42.5 Å²	42.5	61%	0.61	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	2.6	176.3	63.9	-29.6	0	0	0	113.7	E280 T432	E280-N282 PolarHBondContact O-N 3.43Å; N282-T432 HydrophobicContact CB-CG2 4.37Å
283	N	97.8	Very high	96.6	Very high	61 Å²	61	40.9 Å²	40.9	33%	0.326	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129	-177.6	-63.8	-68.2	0	0	0	110.8	Y279 E280	Y279-N283 CarbonylContact C-O 3.58Å; Y279-N283 VanDerWaalsContact CA-O 3.24Å; Y279-N283 WeakPolarHBondContact CA-O 3.19Å; E280-N283 PolarHBondContact N-O 3.33Å; E280-N283 PolarHBondContact O-N 2.63Å
284	R	98.3	Very high	96.4	Very high	141 Å²	141	43.3 Å²	43.3	53%	0.532	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.6	168.8	-173.4	171.5	169.6	-136.7	-1.9	109.3	Y279 T288	Y279-R284 HydrophobicContact CD1-CB 3.98Å; Y279-R284 HydrophobicContact CE1-CB 3.62Å; Y279-R284 HydrophobicContact CE1-CG 4.13Å; R284-T288 PolarHBondContact NH2-OG1 2.84Å
285	V	98.3	Very high	96.2	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	23%	0.227	C	C	.	.			trans	-127.3	121.9	-175.4	178	0	0	0	0	109.7	Y278 E280 L316 N318	Y278-V285 HydrophobicContact CD1-CB 3.76Å; Y278-V285 HydrophobicContact CD1-CG1 4.04Å; Y278-V285 HydrophobicContact CE1-CB 3.96Å; Y278-V285 HydrophobicContact CE1-CG1 4.01Å; Y278-V285 PolarHBondContact O-N 2.96Å; E280-V285 HydrophobicContact CB-CG2 3.94Å; E280-V285 HydrophobicContact CG-CG2 3.92Å; V285-L316 HydrophobicContact CG1-CB 3.99Å; V285-N318 HydrophobicContact CG1-CB 4Å; V285-N318 HydrophobicContact CG2-CB 3.99Å
286	G	95.9	Very high	96.1	Very high	42 Å²	42	43.8 Å²	43.8	43%	0.433	22%	0.224	S	C	.	.	S	Bend	trans	78.7	-177.1	-178.5	0	0	0	0	0	114.2
287	E	94.3	Very high	96	Very high	167 Å²	167	46.3 Å²	46.3	78%	0.78	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-80	159.2	177.4	-63.1	-174.6	160.5	0	0	111.8	F289	E287-F289 PolarHBondContact O-N 2.8Å
288	T	96.1	Very high	96	Very high	43 Å²	43	46 Å²	46	26%	0.264	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-74.2	126.3	171.3	-71.1	0	0	0	0	109.8	V276 R284	V276-T288 WeakPolarHBondContact O-CA 3.22Å; R284-T288 PolarHBondContact NH2-OG1 2.84Å
289	F	95.7	Very high	95.9	Very high	29 Å²	29	46 Å²	46	13%	0.127	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.8	172.8	179	-90.9	0	0	0	110.8	S275 V276 E287 A291 V296 R308 F311	S275-F289 CarbonylContact C-O 3.59Å; S275-F289 VanDerWaalsContact CA-O 3.25Å; S275-F289 WeakPolarHBondContact CA-O 3.21Å; V276-F289 HydrophobicContact CB-CB 4.41Å; V276-F289 PolarHBondContact N-O 3.44Å; V276-F289 PolarHBondContact O-N 2.9Å; E287-F289 PolarHBondContact O-N 2.8Å; F289-A291 HydrophobicContact CE1-CB 4.04Å; F289-V296 HydrophobicContact CD1-CG1 4.3Å; F289-V296 HydrophobicContact CE1-CB 4.41Å; F289-V296 HydrophobicContact CE1-CG1 3.42Å; F289-V296 VanDerWaalsContact CE1-CG1 3.42Å; F289-V296 HydrophobicContact CE1-CG2 4.07Å; F289-V296 HydrophobicContact CZ-CG1 3.75Å; F289-V296 HydrophobicContact CZ-CG2 4.47Å; F289-R308 VanDerWaalsContact CZ-O 3.29Å; F289-R308 WeakPolarHBondContact CZ-O 3.31Å; F289-F311 HydrophobicContact CB-CB 4.23Å; F289-F311 HydrophobicContact CB-CD1 3.53Å; F289-F311 HydrophobicContact CB-CD2 3.97Å; F289-F311 HydrophobicContact CB-CE1 3.74Å; F289-F311 HydrophobicContact CB-CE2 4.17Å; F289-F311 HydrophobicContact CB-CG 3.66Å; F289-F311 HydrophobicContact CB-CZ 4.06Å; F289-F311 HydrophobicContact CD1-CB 4.26Å; F289-F311 HydrophobicContact CD2-CB 3.69Å; F289-F311 HydrophobicContact CD2-CD2 4.11Å; F289-F311 AromaticContact CD2-CG 3.89Å; F289-F311 HydrophobicContact CD2-CG 3.89Å; F289-F311 HydrophobicContact CE2-CB 4.04Å; F289-F311 HydrophobicContact CG-CB 3.79Å; F289-F311 HydrophobicContact CG-CD1 4Å; F289-F311 HydrophobicContact CG-CD2 4.29Å; F289-F311 AromaticContact CG-CG 3.79Å; F289-F311 HydrophobicContact CG-CG 3.79Å; F289-F311 HydrophobicContact CZ-CB 4.47Å
290	Q	95.6	Very high	95.9	Very high	81 Å²	81	44.9 Å²	44.9	38%	0.379	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.7	-179.5	-64.7	-69.2	-8.2	0	0	110.4	S292 H443	Q290-S292 PolarHBondContact O-N 2.95Å; Q290-H443 PolarHBondContact OE1-CE1 3.38Å; Q290-H443 VanDerWaalsContact OE1-CE1 3.31Å
291	A	94	Very high	95.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	101.4	-174.5	0	0	0	0	0	111.6	H272 W273 C274 F289 V296	H272-A291 VanDerWaalsContact CA-O 3.3Å; H272-A291 WeakPolarHBondContact CA-O 3.3Å; W273-A291 VanDerWaalsContact CD1-O 3.26Å; W273-A291 HydrophobicContact CZ2-CB 4.23Å; W273-A291 PolarHBondContact N-O 3.21Å; W273-A291 VanDerWaalsContact N-O 3.12Å; C274-A291 WeakPolarHBondContact O-CB 3.05Å; C274-A291 PolarHBondContact O-N 3.37Å; C274-A291 VanDerWaalsContact SG-CB 3.52Å; F289-A291 HydrophobicContact CE1-CB 4.04Å; A291-V296 HydrophobicContact CB-CG2 3.76Å
292	S	89.7	Confident	95.5	Very high	36 Å²	36	51.4 Å²	51.4	25%	0.252	27%	0.27	S	S	.	.			trans	-84.7	-39.6	168.4	-58.1	0	0	0	0	112.3	H272 Q290 R308	H272-S292 PolarHBondContact CE1-OG 3.46Å; H272-S292 PolarHBondContact ND1-OG 2.96Å; Q290-S292 PolarHBondContact O-N 2.95Å; S292-R308 PolarHBondContact OG-NH2 3.36Å
293	S	91.9	Very high	95	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.063	25%	0.253	C	S	.	.	S	Bend	trans	-74.2	140.1	175.4	164.6	0	0	0	0	110.3	Q102 W273 S295 V296 N309	Q102-S293 PolarHBondContact OE1-OG 3.28Å; W273-S293 PolarHBondContact NE1-O 3.06Å; S293-S295 PolarHBondContact O-N 3.35Å; S293-S295 VanDerWaalsContact O-N 3.11Å; S293-S295 PolarHBondContact OG-N 3.24Å; S293-S295 VanDerWaalsContact OG-N 3.1Å; S293-S295 PolarHBondContact OG-O 2.74Å; S293-V296 WeakPolarHBondContact O-CG2 3.41Å; S293-N309 VanDerWaalsContact CB-CG 3.45Å; S293-N309 WeakPolarHBondContact CB-OD1 3.44Å
294	R	92.3	Very high	93.7	Very high	69 Å²	69	51 Å²	51	26%	0.26	28%	0.275	S	S	.	.	S	Bend	trans	-71.1	-0	175.2	-67.2	-168.1	178.4	-169	-5.1	113.3	E269 Y339 Y340	E269-R294 VanDerWaalsContact CD-NH2 3.25Å; E269-R294 IonicContact OE1-NH2 3.87Å; E269-R294 IonicContact OE2-CZ 2.82Å; E269-R294 IonicContact OE2-NH2 2.68Å; E269-R294 PolarHBondContact OE2-NH2 2.96Å; R294-Y339 CarbonylContact O-C 3.6Å; R294-Y339 VanDerWaalsContact O-CA 3.22Å; R294-Y339 WeakPolarHBondContact O-CA 3.29Å; R294-Y340 WeakPolarHBondContact CB-O 3.44Å; R294-Y340 HydrophobicContact CG-CD1 4.19Å; R294-Y340 PolarHBondContact O-N 2.91Å
295	S	93.9	Very high	92.6	Very high	22 Å²	22	47.3 Å²	47.3	15%	0.154	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	113.3	179	174.5	0	0	0	0	109	S293 H337	S293-S295 PolarHBondContact O-N 3.35Å; S293-S295 VanDerWaalsContact O-N 3.11Å; S293-S295 PolarHBondContact OG-N 3.24Å; S293-S295 VanDerWaalsContact OG-N 3.1Å; S293-S295 PolarHBondContact OG-O 2.74Å; S295-H337 PolarHBondContact OG-NE2 3.13Å
296	V	95.4	Very high	91.1	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.4	-174.5	178.4	0	0	0	0	110.9	F289 A291 S293 I298 N309 H337 L338	F289-V296 HydrophobicContact CD1-CG1 4.3Å; F289-V296 HydrophobicContact CE1-CB 4.41Å; F289-V296 HydrophobicContact CE1-CG1 3.42Å; F289-V296 VanDerWaalsContact CE1-CG1 3.42Å; F289-V296 HydrophobicContact CE1-CG2 4.07Å; F289-V296 HydrophobicContact CZ-CG1 3.75Å; F289-V296 HydrophobicContact CZ-CG2 4.47Å; A291-V296 HydrophobicContact CB-CG2 3.76Å; S293-V296 WeakPolarHBondContact O-CG2 3.41Å; V296-I298 HydrophobicContact CG1-CG1 4.24Å; V296-N309 WeakPolarHBondContact CA-O 2.89Å; V296-H337 PolarHBondContact O-CD2 3.1Å; V296-L338 PolarHBondContact N-O 2.75Å; V296-L338 PolarHBondContact O-N 3.35Å
297	L	96.4	Very high	90.3	Very high	54 Å²	54	55.7 Å²	55.7	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.8	172.7	-177.6	65.8	0	0	0	110.2	D299 N309 R310 F311 K334 H337 V350	L297-D299 WeakPolarHBondContact CD2-OD2 3.29Å; L297-D299 HydrophobicContact CG-CB 4.31Å; L297-N309 PolarHBondContact N-O 3.1Å; L297-R310 HydrophobicContact CB-CG 4.38Å; L297-R310 HydrophobicContact CD2-CG 4.5Å; L297-R310 CarbonylContact O-C 3.55Å; L297-R310 VanDerWaalsContact O-CA 3.25Å; L297-R310 WeakPolarHBondContact O-CA 3.42Å; L297-F311 PolarHBondContact O-N 2.9Å; L297-K334 WeakPolarHBondContact CD1-O 3.18Å; L297-H337 HydrophobicContact CD1-CB 4.3Å; L297-V350 HydrophobicContact CD1-CG2 3.85Å
298	I	97.9	Very high	89.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.3	174.1	-52.8	166.2	0	0	0	107.4	V276 V296 F311 L313 G335 V336 L338 F418 I438	V276-I298 HydrophobicContact CG1-CD1 4.02Å; V276-I298 HydrophobicContact CG2-CD1 4.19Å; V296-I298 HydrophobicContact CG1-CG1 4.24Å; I298-F311 WeakPolarHBondContact CA-O 3.32Å; I298-F311 HydrophobicContact CB-CB 4.45Å; I298-F311 HydrophobicContact CG1-CB 4.1Å; I298-F311 HydrophobicContact CG1-CD1 4.42Å; I298-F311 HydrophobicContact CG2-CB 4.28Å; I298-F311 HydrophobicContact CG2-CD1 4.02Å; I298-F311 HydrophobicContact CG2-CG 4.42Å; I298-L313 HydrophobicContact CG2-CD1 3.92Å; I298-L313 HydrophobicContact CG2-CD2 4.17Å; I298-L313 HydrophobicContact CG2-CG 3.99Å; I298-G335 CarbonylContact O-C 3.47Å; I298-G335 VanDerWaalsContact O-CA 3.29Å; I298-G335 WeakPolarHBondContact O-CA 3.39Å; I298-V336 HydrophobicContact CB-CG1 3.85Å; I298-V336 HydrophobicContact CD1-CG1 4.13Å; I298-V336 HydrophobicContact CG1-CG1 4.42Å; I298-V336 PolarHBondContact N-O 3.08Å; I298-V336 PolarHBondContact O-N 2.88Å; I298-L338 HydrophobicContact CD1-CD1 3.56Å; I298-L338 HydrophobicContact CD1-CG 4.12Å; I298-F418 HydrophobicContact CG2-CZ 4.12Å; I298-I438 HydrophobicContact CD1-CD1 3.64Å
299	D	97.9	Very high	89.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	170.2	-168.3	73.3	42.6	0	0	0	114.1	L297 F301 R310 F311 L313 G333 K334	L297-D299 WeakPolarHBondContact CD2-OD2 3.29Å; L297-D299 HydrophobicContact CG-CB 4.31Å; D299-F301 VanDerWaalsContact C-N 3.34Å; D299-F301 HydrophobicContact CB-CD2 4.05Å; D299-F301 WeakPolarHBondContact OD1-CB 3.46Å; D299-F301 PolarHBondContact OD1-N 3.34Å; D299-R310 IonicContact OD1-NE 3.68Å; D299-R310 IonicContact OD1-NH2 3.07Å; D299-R310 IonicContact OD2-CZ 3.44Å; D299-R310 IonicContact OD2-NE 3.71Å; D299-R310 PolarHBondContact OD2-NE 2.64Å; D299-R310 IonicContact OD2-NH2 2.78Å; D299-R310 PolarHBondContact OD2-NH2 2.67Å; D299-F311 PolarHBondContact N-O 2.96Å; D299-L313 WeakPolarHBondContact O-CB 3.38Å; D299-L313 WeakPolarHBondContact O-CG 3.38Å; D299-L313 PolarHBondContact O-N 2.54Å; D299-G333 WeakPolarHBondContact CB-O 3.43Å; D299-K334 VanDerWaalsContact CB-O 3.28Å; D299-K334 WeakPolarHBondContact CB-O 3.2Å
300	G	97.5	Very high	89.2	Confident	18 Å²	18	57.4 Å²	57.4	19%	0.186	30%	0.304	C	S	.	.	S	Bend	trans	-90.1	8.8	-178.6	0	0	0	0	0	114.2	G314 G333	G300-G314 WeakPolarHBondContact O-CA 3.46Å; G300-G333 PolarHBondContact N-O 2.91Å
301	F	96.2	Very high	89.2	Confident	94 Å²	94	54.4 Å²	54.4	41%	0.412	29%	0.29	S	S	.	.	S	Bend	trans	-88.3	-177.6	-177.1	-58.5	-60.1	0	0	0	111.7	D299 R310 C312 G314 G333 K334	D299-F301 VanDerWaalsContact C-N 3.34Å; D299-F301 HydrophobicContact CB-CD2 4.05Å; D299-F301 WeakPolarHBondContact OD1-CB 3.46Å; D299-F301 PolarHBondContact OD1-N 3.34Å; F301-R310 VanDerWaalsContact CD2-NH2 3.28Å; F301-C312 WeakPolarHBondContact O-CB 3.38Å; F301-G314 WeakPolarHBondContact O-CA 3.22Å; F301-G314 PolarHBondContact O-N 3.2Å; F301-G333 WeakPolarHBondContact CE2-O 3.28Å; F301-K334 HydrophobicContact CE2-CB 4.49Å; F301-K334 HydrophobicContact CE2-CG 4.08Å; F301-K334 HydrophobicContact CZ-CG 4.33Å
302	T	93.8	Very high	89.3	Confident	92 Å²	92	54.8 Å²	54.8	56%	0.564	29%	0.293	S	S	*	.			trans	-124.7	29.4	-168.9	60.6	0	0	0	0	112.6	P304	T302-P304 WeakPolarHBondContact O-CD 3.3Å; T302-P304 VanDerWaalsContact O-N 3.11Å
303	D	86.3	Confident	89.6	Confident	48 Å²	48	53.1 Å²	53.1	26%	0.257	28%	0.281	S	S	.	.			trans	-63.6	113.8	177.9	178.2	1.6	0	0	0	109.2	S305 R310 C312 L315	D303-S305 VanDerWaalsContact C-N 3.28Å; D303-S305 VanDerWaalsContact OD1-CB 3.28Å; D303-S305 WeakPolarHBondContact OD1-CB 3.41Å; D303-S305 PolarHBondContact OD1-N 3.4Å; D303-S305 PolarHBondContact OD1-OG 2.72Å; D303-S305 PolarHBondContact OD2-OG 3.14Å; D303-R310 IonicContact OD2-CZ 3.03Å; D303-R310 IonicContact OD2-NH1 2.83Å; D303-R310 PolarHBondContact OD2-NH1 2.73Å; D303-C312 PolarHBondContact O-SG 3.22Å; D303-L315 WeakPolarHBondContact O-CD2 3.41Å
304	P	71	Confident	89.8	Confident	120 Å²	120	53.7 Å²	53.7	78%	0.779	29%	0.288	S	S	*	.			trans	-86.1	-3.5	-174.1	36.8	-35	0	0	0	111.8	T302 N306	T302-P304 WeakPolarHBondContact O-CD 3.3Å; T302-P304 VanDerWaalsContact O-N 3.11Å; P304-N306 PolarHBondContact O-N 2.7Å
305	S	75	Confident	89.9	Confident	63 Å²	63	54.4 Å²	54.4	44%	0.441	30%	0.297	S	S	.	.	S	Bend	trans	-62	137.5	176.3	64.7	0	0	0	0	108.9	D303 N307	D303-S305 VanDerWaalsContact C-N 3.28Å; D303-S305 VanDerWaalsContact OD1-CB 3.28Å; D303-S305 WeakPolarHBondContact OD1-CB 3.41Å; D303-S305 PolarHBondContact OD1-N 3.4Å; D303-S305 PolarHBondContact OD1-OG 2.72Å; D303-S305 PolarHBondContact OD2-OG 3.14Å; S305-N307 PolarHBondContact O-N 2.65Å
306	N	66.7	Low	89.9	Confident	159 Å²	159	54.4 Å²	54.4	85%	0.85	30%	0.295	S	S	*	.			trans	-72.1	55.7	174.3	-166.5	7.1	0	0	0	110.1	P304 R308	P304-N306 PolarHBondContact O-N 2.7Å; N306-R308 PolarHBondContact O-N 3.24Å
307	N	78.3	Confident	89.9	Confident	64 Å²	64	59.4 Å²	59.4	34%	0.342	33%	0.33	S	S	.	.			trans	-75.9	103.9	178.8	-178.5	-7.6	0	0	0	107.8	S305 N309 R310	S305-N307 PolarHBondContact O-N 2.65Å; N307-N309 PolarHBondContact O-N 2.84Å; N307-N309 WeakPolarHBondContact OD1-CB 3.26Å; N307-N309 PolarHBondContact OD1-N 3.46Å; N307-R310 HydrophobicContact CB-CB 4.14Å; N307-R310 PolarHBondContact O-N 3.11Å; N307-R310 VanDerWaalsContact O-O 3.09Å
308	R	80.5	Confident	89.9	Confident	142 Å²	142	58.2 Å²	58.2	54%	0.536	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-4.1	-179.4	-56.5	-177.2	73.1	171.3	3.5	114.2	F289 S292 N306	F289-R308 VanDerWaalsContact CZ-O 3.29Å; F289-R308 WeakPolarHBondContact CZ-O 3.31Å; S292-R308 PolarHBondContact OG-NH2 3.36Å; N306-R308 PolarHBondContact O-N 3.24Å
309	N	88.6	Confident	89.9	Confident	74 Å²	74	65 Å²	65	40%	0.396	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	4.5	179.6	-53.6	-9	0	0	0	112	S293 V296 L297 N307	S293-N309 VanDerWaalsContact CB-CG 3.45Å; S293-N309 WeakPolarHBondContact CB-OD1 3.44Å; V296-N309 WeakPolarHBondContact CA-O 2.89Å; L297-N309 PolarHBondContact N-O 3.1Å; N307-N309 PolarHBondContact O-N 2.84Å; N307-N309 WeakPolarHBondContact OD1-CB 3.26Å; N307-N309 PolarHBondContact OD1-N 3.46Å
310	R	93.7	Very high	89.8	Confident	59 Å²	59	70.1 Å²	70.1	22%	0.223	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	123.4	-175.2	-168.4	-177.9	-176.7	-170.5	-2	111.5	L297 D299 F301 D303 N307	L297-R310 HydrophobicContact CB-CG 4.38Å; L297-R310 HydrophobicContact CD2-CG 4.5Å; L297-R310 CarbonylContact O-C 3.55Å; L297-R310 VanDerWaalsContact O-CA 3.25Å; L297-R310 WeakPolarHBondContact O-CA 3.42Å; D299-R310 IonicContact OD1-NE 3.68Å; D299-R310 IonicContact OD1-NH2 3.07Å; D299-R310 IonicContact OD2-CZ 3.44Å; D299-R310 IonicContact OD2-NE 3.71Å; D299-R310 PolarHBondContact OD2-NE 2.64Å; D299-R310 IonicContact OD2-NH2 2.78Å; D299-R310 PolarHBondContact OD2-NH2 2.67Å; F301-R310 VanDerWaalsContact CD2-NH2 3.28Å; D303-R310 IonicContact OD2-CZ 3.03Å; D303-R310 IonicContact OD2-NH1 2.83Å; D303-R310 PolarHBondContact OD2-NH1 2.73Å; N307-R310 HydrophobicContact CB-CB 4.14Å; N307-R310 PolarHBondContact O-N 3.11Å; N307-R310 VanDerWaalsContact O-O 3.09Å
311	F	95.4	Very high	89.8	Confident	17 Å²	17	71.8 Å²	71.8	8%	0.075	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	100.2	175	-173.3	-162	0	0	0	110.3	V276 F289 L297 I298 D299 L313 L316	V276-F311 HydrophobicContact CB-CD1 4.29Å; V276-F311 HydrophobicContact CB-CE1 4.3Å; V276-F311 HydrophobicContact CG1-CD1 4.17Å; V276-F311 HydrophobicContact CG1-CE1 4.08Å; F289-F311 HydrophobicContact CB-CB 4.23Å; F289-F311 HydrophobicContact CB-CD1 3.53Å; F289-F311 HydrophobicContact CB-CD2 3.97Å; F289-F311 HydrophobicContact CB-CE1 3.74Å; F289-F311 HydrophobicContact CB-CE2 4.17Å; F289-F311 HydrophobicContact CB-CG 3.66Å; F289-F311 HydrophobicContact CB-CZ 4.06Å; F289-F311 HydrophobicContact CD1-CB 4.26Å; F289-F311 HydrophobicContact CD2-CB 3.69Å; F289-F311 HydrophobicContact CD2-CD2 4.11Å; F289-F311 AromaticContact CD2-CG 3.89Å; F289-F311 HydrophobicContact CD2-CG 3.89Å; F289-F311 HydrophobicContact CE2-CB 4.04Å; F289-F311 HydrophobicContact CG-CB 3.79Å; F289-F311 HydrophobicContact CG-CD1 4Å; F289-F311 HydrophobicContact CG-CD2 4.29Å; F289-F311 AromaticContact CG-CG 3.79Å; F289-F311 HydrophobicContact CG-CG 3.79Å; F289-F311 HydrophobicContact CZ-CB 4.47Å; L297-F311 PolarHBondContact O-N 2.9Å; I298-F311 WeakPolarHBondContact CA-O 3.32Å; I298-F311 HydrophobicContact CB-CB 4.45Å; I298-F311 HydrophobicContact CG1-CB 4.1Å; I298-F311 HydrophobicContact CG1-CD1 4.42Å; I298-F311 HydrophobicContact CG2-CB 4.28Å; I298-F311 HydrophobicContact CG2-CD1 4.02Å; I298-F311 HydrophobicContact CG2-CG 4.42Å; D299-F311 PolarHBondContact N-O 2.96Å; F311-L313 HydrophobicContact CD1-CD2 4.03Å; F311-L313 HydrophobicContact CD2-CD2 4.26Å; F311-L313 HydrophobicContact CE1-CD2 3.77Å; F311-L313 HydrophobicContact CE2-CD2 4.01Å; F311-L313 HydrophobicContact CG-CD2 4.27Å; F311-L313 HydrophobicContact CZ-CD2 3.76Å; F311-L313 PolarHBondContact O-N 3.18Å; F311-L316 HydrophobicContact CE2-CD1 4.11Å; F311-L316 HydrophobicContact CZ-CD1 4.23Å
312	C	96.1	Very high	89.9	Confident	9 Å²	9	70.7 Å²	70.7	6%	0.061	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.8	-177.3	-65.3	0	0	0	0	110.7	F301 D303 G314 L315	F301-C312 WeakPolarHBondContact O-CB 3.38Å; D303-C312 PolarHBondContact O-SG 3.22Å; C312-G314 VanDerWaalsContact C-N 3.28Å; C312-G314 PolarHBondContact O-N 2.8Å; C312-L315 HydrophobicContact CB-CD2 3.52Å; C312-L315 HydrophobicContact CB-CG 4.3Å; C312-L315 WeakPolarHBondContact O-CG 3.47Å
313	L	97.1	Very high	90.1	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-73.9	-23	179.1	-55	-179.6	0	0	0	112.1	Y278 I298 D299 F311 L315 L316 R329 I332 F418	Y278-L313 HydrophobicContact CD1-CD2 4.25Å; Y278-L313 HydrophobicContact CD2-CD1 3.79Å; Y278-L313 HydrophobicContact CD2-CD2 3.86Å; Y278-L313 HydrophobicContact CD2-CG 4.36Å; Y278-L313 HydrophobicContact CE2-CD1 3.85Å; Y278-L313 HydrophobicContact CE2-CD2 4.49Å; Y278-L313 HydrophobicContact CG-CD1 4.48Å; Y278-L313 HydrophobicContact CG-CD2 3.72Å; I298-L313 HydrophobicContact CG2-CD1 3.92Å; I298-L313 HydrophobicContact CG2-CD2 4.17Å; I298-L313 HydrophobicContact CG2-CG 3.99Å; D299-L313 WeakPolarHBondContact O-CB 3.38Å; D299-L313 WeakPolarHBondContact O-CG 3.38Å; D299-L313 PolarHBondContact O-N 2.54Å; F311-L313 HydrophobicContact CD1-CD2 4.03Å; F311-L313 HydrophobicContact CD2-CD2 4.26Å; F311-L313 HydrophobicContact CE1-CD2 3.77Å; F311-L313 HydrophobicContact CE2-CD2 4.01Å; F311-L313 HydrophobicContact CG-CD2 4.27Å; F311-L313 HydrophobicContact CZ-CD2 3.76Å; F311-L313 PolarHBondContact O-N 3.18Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 2.53Å; L313-L316 HydrophobicContact CD2-CD1 3.97Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 2.83Å; L313-R329 VanDerWaalsContact O-CZ 3.26Å; L313-R329 PolarHBondContact O-NH1 3.13Å; L313-R329 PolarHBondContact O-NH2 3.48Å; L313-I332 HydrophobicContact CD1-CD1 4.09Å; L313-F418 HydrophobicContact CD1-CD2 4.4Å; L313-F418 HydrophobicContact CD1-CE2 3.67Å; L313-F418 HydrophobicContact CD1-CZ 3.97Å
314	G	96.3	Very high	90.6	Very high	22 Å²	22	70.7 Å²	70.7	23%	0.227	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-62.8	-31.1	-174.2	0	0	0	0	0	114.3	G300 F301 C312 R329	G300-G314 WeakPolarHBondContact O-CA 3.46Å; F301-G314 WeakPolarHBondContact O-CA 3.22Å; F301-G314 PolarHBondContact O-N 3.2Å; C312-G314 VanDerWaalsContact C-N 3.28Å; C312-G314 PolarHBondContact O-N 2.8Å; G314-R329 VanDerWaalsContact C-NH2 3.27Å; G314-R329 VanDerWaalsContact CA-NH2 3.29Å; G314-R329 PolarHBondContact O-NH2 2.85Å
315	L	93.5	Very high	91.9	Very high	84 Å²	84	65 Å²	65	44%	0.44	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-83.7	-10.3	179.2	64.2	94.7	0	0	0	114.1	D303 C312 L313 S317	D303-L315 WeakPolarHBondContact O-CD2 3.41Å; C312-L315 HydrophobicContact CB-CD2 3.52Å; C312-L315 HydrophobicContact CB-CG 4.3Å; C312-L315 WeakPolarHBondContact O-CG 3.47Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 2.53Å; L315-S317 PolarHBondContact O-N 2.8Å
316	L	95.4	Very high	93	Very high	21 Å²	21	66.6 Å²	66.6	11%	0.11	36%	0.36	C	S	.	.			trans	-73.8	126	-179.3	-56	179.3	0	0	0	110.7	Y278 V285 F311 L313 R321 R329	Y278-L316 HydrophobicContact CD1-CD1 3.54Å; Y278-L316 HydrophobicContact CE1-CD1 4.23Å; Y278-L316 HydrophobicContact CG-CD1 4.2Å; V285-L316 HydrophobicContact CG1-CB 3.99Å; F311-L316 HydrophobicContact CE2-CD1 4.11Å; F311-L316 HydrophobicContact CZ-CD1 4.23Å; L313-L316 HydrophobicContact CD2-CD1 3.97Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 2.83Å; L316-R321 PolarHBondContact O-NH1 3.11Å; L316-R321 PolarHBondContact O-NH2 3.1Å; L316-R329 PolarHBondContact O-NH2 3.33Å
317	S	95.3	Very high	94.5	Very high	108 Å²	108	62.4 Å²	62.4	76%	0.755	34%	0.338	S	S	*	.			trans	-90.3	144.2	177.6	-64.8	0	0	0	0	111.5	L315	L315-S317 PolarHBondContact O-N 2.8Å
318	N	96.4	Very high	95.5	Very high	29 Å²	29	59.5 Å²	59.5	16%	0.155	32%	0.322	C	S	.	.			trans	-148.2	120.9	171.8	177.4	13.8	0	0	0	108.8	E280 V285 N320 R321	E280-N318 WeakPolarHBondContact OE2-CB 3.4Å; E280-N318 PolarHBondContact OE2-ND2 3.33Å; V285-N318 HydrophobicContact CG1-CB 4Å; V285-N318 HydrophobicContact CG2-CB 3.99Å; N318-N320 VanDerWaalsContact C-N 3.3Å; N318-N320 PolarHBondContact O-N 2.9Å; N318-N320 PolarHBondContact OD1-N 3.38Å; N318-R321 HydrophobicContact CB-CB 4.23Å; N318-R321 VanDerWaalsContact O-CB 3.23Å; N318-R321 WeakPolarHBondContact O-CB 3.28Å; N318-R321 PolarHBondContact O-N 3.26Å
319	V	96.6	Very high	96.3	Very high	143 Å²	143	53.9 Å²	53.9	87%	0.867	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.6	-179.5	-62.6	0	0	0	0	112.8	R321	V319-R321 PolarHBondContact O-N 3.26Å
320	N	95.6	Very high	96.8	Very high	107 Å²	107	57.8 Å²	57.8	57%	0.572	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	11.3	179.3	-62.5	-32.9	0	0	0	112.4	N318 N322	N318-N320 VanDerWaalsContact C-N 3.3Å; N318-N320 PolarHBondContact O-N 2.9Å; N318-N320 PolarHBondContact OD1-N 3.38Å; N320-N322 PolarHBondContact O-N 2.9Å
321	R	97.8	Very high	97	Very high	53 Å²	53	59.7 Å²	59.7	20%	0.2	32%	0.321	C	S	.	.			trans	-71.4	126.4	-176.8	-172	176.2	-69.7	152.4	-1.6	110.2	E280 L316 N318 V319 I325 E326 R329	E280-R321 IonicContact OE1-CZ 3.39Å; E280-R321 IonicContact OE1-NE 3.23Å; E280-R321 PolarHBondContact OE1-NE 2.94Å; E280-R321 IonicContact OE1-NH2 2.76Å; E280-R321 PolarHBondContact OE1-NH2 2.91Å; E280-R321 IonicContact OE2-CZ 3.66Å; E280-R321 IonicContact OE2-NE 2.98Å; E280-R321 PolarHBondContact OE2-NE 3.09Å; E280-R321 IonicContact OE2-NH2 3.44Å; E280-R321 PolarHBondContact OE2-NH2 2.79Å; L316-R321 PolarHBondContact O-NH1 3.11Å; L316-R321 PolarHBondContact O-NH2 3.1Å; N318-R321 HydrophobicContact CB-CB 4.23Å; N318-R321 VanDerWaalsContact O-CB 3.23Å; N318-R321 WeakPolarHBondContact O-CB 3.28Å; N318-R321 PolarHBondContact O-N 3.26Å; V319-R321 PolarHBondContact O-N 3.26Å; R321-I325 HydrophobicContact CG-CB 3.85Å; R321-I325 HydrophobicContact CG-CG2 3.68Å; R321-E326 HydrophobicContact CG-CG 3.78Å; R321-R329 VanDerWaalsContact CZ-NE 3.29Å; R321-R329 VanDerWaalsContact NH2-CZ 3.3Å
322	N	98	Very high	97.2	Very high	70 Å²	70	58.9 Å²	58.9	37%	0.374	32%	0.318	S	S	.	.			trans	-101.3	170.1	174.8	68.8	42.7	0	0	0	111.9	N320 T324 I325 E326	N320-N322 PolarHBondContact O-N 2.9Å; N322-T324 PolarHBondContact O-N 3.47Å; N322-T324 WeakPolarHBondContact OD1-CB 3.28Å; N322-T324 PolarHBondContact OD1-N 3.49Å; N322-I325 WeakPolarHBondContact O-CB 3.21Å; N322-I325 PolarHBondContact O-N 3.43Å; N322-I325 WeakPolarHBondContact OD1-CG1 3.38Å; N322-I325 PolarHBondContact OD1-N 2.56Å; N322-E326 PolarHBondContact O-N 3.18Å
323	S	98.2	Very high	97.2	Very high	75 Å²	75	59.4 Å²	59.4	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-58.1	-32.2	-177.3	61.4	0	0	0	0	114	E326 N327	S323-E326 PolarHBondContact O-N 2.84Å; S323-N327 VanDerWaalsContact O-CB 3.27Å; S323-N327 WeakPolarHBondContact O-CB 3.43Å; S323-N327 PolarHBondContact O-N 2.8Å; S323-N327 PolarHBondContact O-ND2 3.36Å
324	T	98.1	Very high	97.2	Very high	65 Å²	65	64.9 Å²	64.9	40%	0.399	35%	0.348	S	S	.	.	H	α-helix	trans	-68.6	-39.3	177.3	-63.1	0	0	0	0	111.3	N322 T328 P435	N322-T324 PolarHBondContact O-N 3.47Å; N322-T324 WeakPolarHBondContact OD1-CB 3.28Å; N322-T324 PolarHBondContact OD1-N 3.49Å; T324-T328 WeakPolarHBondContact O-CB 3.25Å; T324-T328 PolarHBondContact O-N 2.9Å; T324-T328 PolarHBondContact O-OG1 2.85Å; T324-P435 HydrophobicContact CG2-CB 4.41Å; T324-P435 HydrophobicContact CG2-CG 3.83Å
325	I	98.5	Very high	97.3	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-47.2	175.1	-62	161.5	0	0	0	109.9	E280 L281 R321 N322 N327 T328 R329 P435	E280-I325 HydrophobicContact CB-CD1 4.18Å; E280-I325 HydrophobicContact CB-CG2 4.17Å; E280-I325 VanDerWaalsContact CD-CG2 3.45Å; E280-I325 HydrophobicContact CG-CG2 3.8Å; E280-I325 WeakPolarHBondContact OE2-CG2 3.27Å; L281-I325 HydrophobicContact CD1-CD1 3.98Å; L281-I325 HydrophobicContact CG-CD1 4.1Å; R321-I325 HydrophobicContact CG-CB 3.85Å; R321-I325 HydrophobicContact CG-CG2 3.68Å; N322-I325 WeakPolarHBondContact O-CB 3.21Å; N322-I325 PolarHBondContact O-N 3.43Å; N322-I325 WeakPolarHBondContact OD1-CG1 3.38Å; N322-I325 PolarHBondContact OD1-N 2.56Å; I325-N327 VanDerWaalsContact C-N 3.32Å; I325-N327 PolarHBondContact O-N 3.39Å; I325-T328 PolarHBondContact O-N 3.01Å; I325-T328 VanDerWaalsContact O-N 3.08Å; I325-R329 HydrophobicContact CG2-CG 4.26Å; I325-R329 VanDerWaalsContact O-CG 3.31Å; I325-R329 WeakPolarHBondContact O-CG 3.47Å; I325-R329 PolarHBondContact O-N 3.45Å; I325-P435 HydrophobicContact CB-CB 4.39Å; I325-P435 HydrophobicContact CG1-CB 3.88Å
326	E	97.9	Very high	97.5	Very high	96 Å²	96	59.8 Å²	59.8	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-57.7	-44.4	176.4	-66.4	-178.1	160.3	0	0	112.5	R321 N322 S323 T328 R329 R330	R321-E326 HydrophobicContact CG-CG 3.78Å; N322-E326 PolarHBondContact O-N 3.18Å; S323-E326 PolarHBondContact O-N 2.84Å; E326-T328 VanDerWaalsContact C-N 3.32Å; E326-T328 PolarHBondContact O-N 3.21Å; E326-R329 PolarHBondContact O-N 2.99Å; E326-R330 PolarHBondContact O-N 2.88Å
327	N	97.9	Very high	97.6	Very high	70 Å²	70	60 Å²	60	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-44.7	174.3	-78.8	-38.5	0	0	0	111.6	S323 I325 R330 H331	S323-N327 VanDerWaalsContact O-CB 3.27Å; S323-N327 WeakPolarHBondContact O-CB 3.43Å; S323-N327 PolarHBondContact O-N 2.8Å; S323-N327 PolarHBondContact O-ND2 3.36Å; I325-N327 VanDerWaalsContact C-N 3.32Å; I325-N327 PolarHBondContact O-N 3.39Å; N327-R330 PolarHBondContact OD1-NH1 2.85Å; N327-R330 PolarHBondContact OD1-NH2 2.87Å; N327-H331 PolarHBondContact O-ND1 3.14Å
328	T	98.5	Very high	97.8	Very high	4 Å²	4	55 Å²	55	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-43.8	-178.9	-58.9	0	0	0	0	111.5	T324 I325 E326 R330 H331 I332 V419 P435 C436	T324-T328 WeakPolarHBondContact O-CB 3.25Å; T324-T328 PolarHBondContact O-N 2.9Å; T324-T328 PolarHBondContact O-OG1 2.85Å; I325-T328 PolarHBondContact O-N 3.01Å; I325-T328 VanDerWaalsContact O-N 3.08Å; E326-T328 VanDerWaalsContact C-N 3.32Å; E326-T328 PolarHBondContact O-N 3.21Å; T328-R330 VanDerWaalsContact C-N 3.28Å; T328-R330 PolarHBondContact O-N 3.31Å; T328-H331 PolarHBondContact O-N 3.49Å; T328-I332 PolarHBondContact O-N 2.99Å; T328-V419 HydrophobicContact CG2-CB 3.96Å; T328-V419 HydrophobicContact CG2-CG2 3.99Å; T328-P435 HydrophobicContact CG2-CB 4.1Å; T328-P435 HydrophobicContact CG2-CG 4.43Å; T328-C436 HydrophobicContact CG2-CB 3.97Å
329	R	98.5	Very high	97.8	Very high	24 Å²	24	54.6 Å²	54.6	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-39.6	178	-72.1	170.9	60.2	74.9	-1.8	112.9	Y278 E280 L313 G314 L316 R321 I325 E326 H331 I332 C436	Y278-R329 PolarHBondContact OH-NH1 2.89Å; Y278-R329 VanDerWaalsContact OH-NH1 3.15Å; E280-R329 WeakPolarHBondContact OE1-CD 3.43Å; E280-R329 IonicContact OE1-CZ 3.78Å; E280-R329 IonicContact OE1-NE 3.85Å; E280-R329 IonicContact OE1-NH1 3.24Å; E280-R329 PolarHBondContact OE1-NH1 3.3Å; L313-R329 VanDerWaalsContact O-CZ 3.26Å; L313-R329 PolarHBondContact O-NH1 3.13Å; L313-R329 PolarHBondContact O-NH2 3.48Å; G314-R329 VanDerWaalsContact C-NH2 3.27Å; G314-R329 VanDerWaalsContact CA-NH2 3.29Å; G314-R329 PolarHBondContact O-NH2 2.85Å; L316-R329 PolarHBondContact O-NH2 3.33Å; R321-R329 VanDerWaalsContact CZ-NE 3.29Å; R321-R329 VanDerWaalsContact NH2-CZ 3.3Å; I325-R329 HydrophobicContact CG2-CG 4.26Å; I325-R329 VanDerWaalsContact O-CG 3.31Å; I325-R329 WeakPolarHBondContact O-CG 3.47Å; I325-R329 PolarHBondContact O-N 3.45Å; E326-R329 PolarHBondContact O-N 2.99Å; R329-H331 PolarHBondContact O-N 2.77Å; R329-I332 HydrophobicContact CG-CD1 4.42Å; R329-I332 WeakPolarHBondContact O-CB 3.43Å; R329-I332 PolarHBondContact O-N 3.48Å; R329-C436 VanDerWaalsContact CG-SG 3.52Å
330	R	97.9	Very high	97.8	Very high	155 Å²	155	48.2 Å²	48.2	59%	0.585	24%	0.238	S	C	*	.	H	α-helix	trans	-59.9	-28.7	175.5	-77.7	-175	-103	108.9	-2.2	113.6	E326 N327 T328	E326-R330 PolarHBondContact O-N 2.88Å; N327-R330 PolarHBondContact OD1-NH1 2.85Å; N327-R330 PolarHBondContact OD1-NH2 2.87Å; T328-R330 VanDerWaalsContact C-N 3.28Å; T328-R330 PolarHBondContact O-N 3.31Å
331	H	98.1	Very high	97.7	Very high	99 Å²	99	43.7 Å²	43.7	46%	0.458	22%	0.215	S	C	.	.	H	α-helix	trans	-94.2	-3.9	-178.8	-65.9	84.3	0	0	0	113.5	N327 T328 R329 G333 S351 V419	N327-H331 PolarHBondContact O-ND1 3.14Å; T328-H331 PolarHBondContact O-N 3.49Å; R329-H331 PolarHBondContact O-N 2.77Å; H331-G333 VanDerWaalsContact C-N 3.28Å; H331-G333 PolarHBondContact O-N 2.73Å; H331-S351 PolarHBondContact O-OG 3.33Å; H331-S351 VanDerWaalsContact O-OG 3.13Å; H331-V419 HydrophobicContact CB-CG1 4.16Å; H331-V419 HydrophobicContact CB-CG2 3.69Å
332	I	98.6	Very high	97.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-45.4	170.9	-61.1	177	0	0	0	108.7	L313 T328 R329 K334 G335 S351 F418 C436	L313-I332 HydrophobicContact CD1-CD1 4.09Å; T328-I332 PolarHBondContact O-N 2.99Å; R329-I332 HydrophobicContact CG-CD1 4.42Å; R329-I332 WeakPolarHBondContact O-CB 3.43Å; R329-I332 PolarHBondContact O-N 3.48Å; I332-K334 PolarHBondContact O-N 2.81Å; I332-G335 VanDerWaalsContact O-CA 3.32Å; I332-G335 WeakPolarHBondContact O-CA 3.31Å; I332-G335 PolarHBondContact O-N 2.83Å; I332-S351 WeakPolarHBondContact O-CB 3.46Å; I332-S351 PolarHBondContact O-OG 3.4Å; I332-F418 HydrophobicContact CD1-CB 4.39Å; I332-F418 HydrophobicContact CD1-CD2 4.24Å; I332-F418 HydrophobicContact CD1-CG 4.27Å; I332-F418 HydrophobicContact CG1-CB 3.89Å; I332-F418 HydrophobicContact CG1-CD1 4.43Å; I332-F418 HydrophobicContact CG1-CG 4.05Å; I332-F418 HydrophobicContact CG2-CD1 3.96Å; I332-F418 HydrophobicContact CG2-CE1 4.14Å; I332-F418 HydrophobicContact CG2-CG 4.35Å; I332-C436 HydrophobicContact CD1-CB 4.2Å
333	G	96.9	Very high	97.2	Very high	19 Å²	19	38.4 Å²	38.4	20%	0.196	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-125.2	176.3	0	0	0	0	0	111.3	D299 G300 F301 H331 G335	D299-G333 WeakPolarHBondContact CB-O 3.43Å; G300-G333 PolarHBondContact N-O 2.91Å; F301-G333 WeakPolarHBondContact CE2-O 3.28Å; H331-G333 VanDerWaalsContact C-N 3.28Å; H331-G333 PolarHBondContact O-N 2.73Å; G333-G335 PolarHBondContact O-N 3.14Å
334	K	96.7	Very high	97.2	Very high	115 Å²	115	36.7 Å²	36.7	50%	0.5	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.9	175.1	-61.6	168.2	-172.1	157.8	0	113.6	L297 D299 F301 I332 V350	L297-K334 WeakPolarHBondContact CD1-O 3.18Å; D299-K334 VanDerWaalsContact CB-O 3.28Å; D299-K334 WeakPolarHBondContact CB-O 3.2Å; F301-K334 HydrophobicContact CE2-CB 4.49Å; F301-K334 HydrophobicContact CE2-CG 4.08Å; F301-K334 HydrophobicContact CZ-CG 4.33Å; I332-K334 PolarHBondContact O-N 2.81Å; K334-V350 HydrophobicContact CB-CB 4.22Å; K334-V350 HydrophobicContact CB-CG2 3.85Å; K334-V350 WeakPolarHBondContact CB-O 3.4Å; K334-V350 WeakPolarHBondContact CD-O 3.32Å; K334-V350 WeakPolarHBondContact O-CG2 3.07Å
335	G	98.3	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.			trans	68.2	-129.3	172.7	0	0	0	0	0	114.9	I298 I332 G333 V350 S351	I298-G335 CarbonylContact O-C 3.47Å; I298-G335 VanDerWaalsContact O-CA 3.29Å; I298-G335 WeakPolarHBondContact O-CA 3.39Å; I332-G335 VanDerWaalsContact O-CA 3.32Å; I332-G335 WeakPolarHBondContact O-CA 3.31Å; I332-G335 PolarHBondContact O-N 2.83Å; G333-G335 PolarHBondContact O-N 3.14Å; G335-V350 VanDerWaalsContact O-CG2 3.28Å; G335-V350 WeakPolarHBondContact O-CG2 3.47Å; G335-V350 PolarHBondContact O-N 2.99Å; G335-V350 VanDerWaalsContact O-N 3.14Å; G335-S351 WeakPolarHBondContact O-CB 3.3Å; G335-S351 PolarHBondContact O-N 3.21Å
336	V	98.7	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.4	-176.5	62.8	0	0	0	0	110.5	I298 L338 A347 E348 I355 M416 F418 I438	I298-V336 HydrophobicContact CB-CG1 3.85Å; I298-V336 HydrophobicContact CD1-CG1 4.13Å; I298-V336 HydrophobicContact CG1-CG1 4.42Å; I298-V336 PolarHBondContact N-O 3.08Å; I298-V336 PolarHBondContact O-N 2.88Å; V336-L338 HydrophobicContact CG2-CD2 4Å; V336-L338 HydrophobicContact CG2-CG 4.49Å; V336-A347 HydrophobicContact CG2-CB 4.17Å; V336-E348 WeakPolarHBondContact CA-O 3.18Å; V336-E348 WeakPolarHBondContact CG2-O 3.31Å; V336-I355 HydrophobicContact CB-CD1 4.05Å; V336-I355 HydrophobicContact CG2-CD1 3.59Å; V336-M416 HydrophobicContact CB-SD 3.98Å; V336-M416 HydrophobicContact CG1-SD 3.78Å; V336-M416 HydrophobicContact CG2-CE 3.96Å; V336-M416 HydrophobicContact CG2-SD 3.81Å; V336-F418 HydrophobicContact CB-CE1 4.32Å; V336-F418 HydrophobicContact CG1-CE1 3.86Å; V336-F418 HydrophobicContact CG1-CZ 4.06Å; V336-I438 HydrophobicContact CG1-CD1 4.43Å
337	H	98.1	Very high	97.2	Very high	26 Å²	26	31.5 Å²	31.5	12%	0.12	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115	169.3	179.6	-162.3	0	0	0	108.7	H105 S295 V296 L297 E348 V350	H105-H337 AromaticContact CD2-CE1 3.7Å; H105-H337 AromaticContact NE2-CE1 3.21Å; H105-H337 PolarHBondContact NE2-CE1 3.16Å; H105-H337 AromaticContact NE2-ND1 3.64Å; S295-H337 PolarHBondContact OG-NE2 3.13Å; V296-H337 PolarHBondContact O-CD2 3.1Å; L297-H337 HydrophobicContact CD1-CB 4.3Å; H337-E348 HydrophobicContact CB-CB 4.31Å; H337-E348 PolarHBondContact N-O 3.31Å; H337-E348 IonicContact ND1-OE2 2.7Å; H337-E348 PolarHBondContact O-N 2.9Å; H337-V350 HydrophobicContact CB-CG1 4.1Å
338	L	98.3	Very high	97.2	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.9	172.7	-62.5	-177.4	0	0	0	109.3	W273 V296 I298 V336 Y346 A347 M416 I440	W273-L338 HydrophobicContact CH2-CB 4.18Å; V296-L338 PolarHBondContact N-O 2.75Å; V296-L338 PolarHBondContact O-N 3.35Å; I298-L338 HydrophobicContact CD1-CD1 3.56Å; I298-L338 HydrophobicContact CD1-CG 4.12Å; V336-L338 HydrophobicContact CG2-CD2 4Å; V336-L338 HydrophobicContact CG2-CG 4.49Å; L338-Y346 WeakPolarHBondContact CA-O 3.45Å; L338-A347 HydrophobicContact CD2-CB 3.81Å; L338-M416 HydrophobicContact CD2-CE 4.08Å; L338-I440 HydrophobicContact CD1-CD1 3.67Å; L338-I440 HydrophobicContact CD1-CG1 4.24Å; L338-I440 HydrophobicContact CD2-CD1 4.4Å
339	Y	97	Very high	97.2	Very high	19 Å²	19	30.2 Å²	30.2	8%	0.075	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.4	174.5	61.1	-89.3	0	0	0	112.1	H105 R294 V341 V345 Y346 E348 S381	H105-Y339 HydrophobicContact CB-CD2 3.59Å; H105-Y339 HydrophobicContact CB-CE2 3.68Å; H105-Y339 HydrophobicContact CB-CG 4.26Å; H105-Y339 AromaticContact CD2-CD1 3.52Å; H105-Y339 AromaticContact CD2-CD2 3.65Å; H105-Y339 AromaticContact CD2-CE1 3.83Å; H105-Y339 AromaticContact CD2-CE2 3.94Å; H105-Y339 AromaticContact CD2-CG 3.42Å; H105-Y339 VanDerWaalsContact CD2-CG 3.42Å; H105-Y339 AromaticContact CE1-CD1 3.88Å; H105-Y339 AromaticContact CE1-CE1 3.43Å; H105-Y339 VanDerWaalsContact CE1-CE1 3.43Å; H105-Y339 WeakPolarHBondContact CE1-CE1 3.46Å; H105-Y339 AromaticContact CE1-CZ 3.56Å; H105-Y339 AromaticContact CG-CD2 3.53Å; H105-Y339 AromaticContact CG-CE2 3.48Å; H105-Y339 VanDerWaalsContact CG-CE2 3.48Å; H105-Y339 AromaticContact CG-CG 3.81Å; H105-Y339 AromaticContact CG-CZ 3.75Å; H105-Y339 AromaticContact ND1-CE1 3.78Å; H105-Y339 AromaticContact ND1-CE2 3.6Å; H105-Y339 AromaticContact ND1-CZ 3.43Å; H105-Y339 AromaticContact NE2-CD1 3.45Å; H105-Y339 WeakPolarHBondContact NE2-CD1 3.36Å; H105-Y339 AromaticContact NE2-CE1 3.51Å; H105-Y339 AromaticContact NE2-CG 3.89Å; H105-Y339 AromaticContact NE2-CZ 3.97Å; R294-Y339 CarbonylContact O-C 3.6Å; R294-Y339 VanDerWaalsContact O-CA 3.22Å; R294-Y339 WeakPolarHBondContact O-CA 3.29Å; Y339-V341 HydrophobicContact CD2-CG1 3.85Å; Y339-V341 HydrophobicContact CE2-CG1 4Å; Y339-V345 WeakPolarHBondContact O-CA 3.38Å; Y339-Y346 AromaticContact CD2-CD2 3.86Å; Y339-Y346 HydrophobicContact CD2-CD2 3.86Å; Y339-Y346 HydrophobicContact CD2-CG 4.17Å; Y339-Y346 VanDerWaalsContact CE1-CB 3.48Å; Y339-Y346 HydrophobicContact CE1-CG 4.31Å; Y339-Y346 HydrophobicContact CE2-CD1 4.24Å; Y339-Y346 AromaticContact CE2-CD2 3.31Å; Y339-Y346 HydrophobicContact CE2-CD2 3.31Å; Y339-Y346 HydrophobicContact CE2-CE2 4.09Å; Y339-Y346 AromaticContact CE2-CG 3.39Å; Y339-Y346 HydrophobicContact CE2-CG 3.39Å; Y339-Y346 AromaticContact CZ-CD2 3.93Å; Y339-Y346 AromaticContact CZ-CG 3.48Å; Y339-Y346 VanDerWaalsContact CZ-CG 3.48Å; Y339-Y346 PolarHBondContact N-O 3.16Å; Y339-Y346 PolarHBondContact O-N 3.02Å; Y339-Y346 WeakPolarHBondContact OH-CB 3.22Å; Y339-E348 HydrophobicContact CE1-CB 4.25Å; Y339-S381 PolarHBondContact OH-OG 2.94Å
340	Y	95.9	Very high	97.2	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.1	-179.2	174.1	-118.8	0	0	0	109.5	E269 W273 R294 E344 V345 N387	E269-Y340 WeakPolarHBondContact OE1-CE1 3.45Å; E269-Y340 VanDerWaalsContact OE1-CZ 3.26Å; E269-Y340 PolarHBondContact OE1-OH 3.06Å; W273-Y340 HydrophobicContact CB-CD1 4.27Å; W273-Y340 HydrophobicContact CD2-CG 4.36Å; W273-Y340 HydrophobicContact CE3-CG 4.29Å; W273-Y340 HydrophobicContact CG-CD1 4.33Å; R294-Y340 WeakPolarHBondContact CB-O 3.44Å; R294-Y340 HydrophobicContact CG-CD1 4.19Å; R294-Y340 PolarHBondContact O-N 2.91Å; Y340-E344 WeakPolarHBondContact CA-O 3.43Å; Y340-E344 WeakPolarHBondContact CD2-O 3.48Å; Y340-V345 HydrophobicContact CD2-CG2 3.77Å; Y340-N387 PolarHBondContact OH-ND2 3.02Å; Y340-N387 VanDerWaalsContact OH-ND2 3.11Å
341	V	94.7	Very high	97.2	Very high	13 Å²	13	23.6 Å²	23.6	8%	0.079	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	135.4	-174.5	63.8	0	0	0	0	109.8	H105 E106 V134 Y339 G343 E344 Y346	H105-V341 HydrophobicContact CB-CG1 4.43Å; E106-V341 HydrophobicContact CB-CG2 4.42Å; E106-V341 HydrophobicContact CG-CG2 4.06Å; V134-V341 HydrophobicContact CB-CG2 3.68Å; V134-V341 HydrophobicContact CG1-CG2 3.78Å; V134-V341 HydrophobicContact CG2-CG2 4.18Å; Y339-V341 HydrophobicContact CD2-CG1 3.85Å; Y339-V341 HydrophobicContact CE2-CG1 4Å; V341-G343 PolarHBondContact O-N 2.89Å; V341-E344 PolarHBondContact N-O 3.21Å; V341-E344 PolarHBondContact O-N 3.45Å; V341-Y346 HydrophobicContact CG1-CD2 4.11Å; V341-Y346 HydrophobicContact CG1-CE2 3.89Å
342	G	91.3	Very high	97.2	Very high	9 Å²	9	25.4 Å²	25.4	9%	0.093	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	27.9	175.5	0	0	0	0	0	114.8	E135 P137 E344	E135-G342 WeakPolarHBondContact O-CA 3.48Å; P137-G342 WeakPolarHBondContact CD-O 3.44Å; G342-E344 VanDerWaalsContact C-N 3.29Å; G342-E344 PolarHBondContact O-N 2.85Å
343	G	93.6	Very high	97.2	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	12.3	-174.5	0	0	0	0	0	114.5	V341 N387	V341-G343 PolarHBondContact O-N 2.89Å; G343-N387 WeakPolarHBondContact O-CB 3.29Å; G343-N387 VanDerWaalsContact O-CG 3.31Å; G343-N387 PolarHBondContact O-N 3.18Å; G343-N387 PolarHBondContact O-ND2 3.15Å
344	E	96.9	Very high	97.3	Very high	39 Å²	39	27 Å²	27	18%	0.182	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.9	-179.6	-58.9	-174.7	124.4	0	0	110.7	Y340 V341 G342 Y346 K383 F385 N386	Y340-E344 WeakPolarHBondContact CA-O 3.43Å; Y340-E344 WeakPolarHBondContact CD2-O 3.48Å; V341-E344 PolarHBondContact N-O 3.21Å; V341-E344 PolarHBondContact O-N 3.45Å; G342-E344 VanDerWaalsContact C-N 3.29Å; G342-E344 PolarHBondContact O-N 2.85Å; E344-Y346 HydrophobicContact CB-CD2 4.33Å; E344-Y346 HydrophobicContact CB-CE2 3.64Å; E344-Y346 PolarHBondContact OE2-OH 2.7Å; E344-K383 HydrophobicContact CB-CD 4.06Å; E344-K383 HydrophobicContact CB-CG 4.47Å; E344-K383 VanDerWaalsContact CD-CD 3.44Å; E344-K383 HydrophobicContact CG-CD 4.02Å; E344-K383 WeakPolarHBondContact OE1-CD 3.32Å; E344-K383 WeakPolarHBondContact OE1-CE 3.46Å; E344-K383 IonicContact OE1-NZ 2.97Å; E344-K383 PolarHBondContact OE1-NZ 3.17Å; E344-F385 CarbonylContact C-O 3.51Å; E344-F385 WeakPolarHBondContact CA-O 3.21Å; E344-N386 HydrophobicContact CG-CB 4.41Å; E344-N386 PolarHBondContact OE1-ND2 3.26Å
345	V	98.2	Very high	97.4	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.1	175.1	-174.7	0	0	0	0	108.9	W273 Y339 Y340 V384 F385 L442	W273-V345 HydrophobicContact CE3-CG2 4.38Å; W273-V345 HydrophobicContact CH2-CG1 4.04Å; W273-V345 HydrophobicContact CZ3-CG1 3.77Å; W273-V345 HydrophobicContact CZ3-CG2 3.91Å; Y339-V345 WeakPolarHBondContact O-CA 3.38Å; Y340-V345 HydrophobicContact CD2-CG2 3.77Å; V345-V384 HydrophobicContact CB-CG2 4.12Å; V345-V384 HydrophobicContact CG1-CG2 3.82Å; V345-V384 WeakPolarHBondContact O-CG2 3.02Å; V345-V384 PolarHBondContact O-N 2.96Å; V345-F385 HydrophobicContact CB-CB 3.86Å; V345-F385 HydrophobicContact CG2-CB 4.04Å; V345-F385 PolarHBondContact N-O 2.74Å; V345-F385 PolarHBondContact O-N 2.82Å; V345-F385 VanDerWaalsContact O-N 3.14Å; V345-L442 HydrophobicContact CG2-CD1 4.43Å; V345-L442 HydrophobicContact CG2-CD2 4.11Å
346	Y	98.5	Very high	97.4	Very high	49 Å²	49	22 Å²	22	19%	0.192	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.6	178.4	-66.9	-98.8	0	0	0	111.1	L338 Y339 V341 E344 L382 K383	L338-Y346 WeakPolarHBondContact CA-O 3.45Å; Y339-Y346 AromaticContact CD2-CD2 3.86Å; Y339-Y346 HydrophobicContact CD2-CD2 3.86Å; Y339-Y346 HydrophobicContact CD2-CG 4.17Å; Y339-Y346 VanDerWaalsContact CE1-CB 3.48Å; Y339-Y346 HydrophobicContact CE1-CG 4.31Å; Y339-Y346 HydrophobicContact CE2-CD1 4.24Å; Y339-Y346 AromaticContact CE2-CD2 3.31Å; Y339-Y346 HydrophobicContact CE2-CD2 3.31Å; Y339-Y346 HydrophobicContact CE2-CE2 4.09Å; Y339-Y346 AromaticContact CE2-CG 3.39Å; Y339-Y346 HydrophobicContact CE2-CG 3.39Å; Y339-Y346 AromaticContact CZ-CD2 3.93Å; Y339-Y346 AromaticContact CZ-CG 3.48Å; Y339-Y346 VanDerWaalsContact CZ-CG 3.48Å; Y339-Y346 PolarHBondContact N-O 3.16Å; Y339-Y346 PolarHBondContact O-N 3.02Å; Y339-Y346 WeakPolarHBondContact OH-CB 3.22Å; V341-Y346 HydrophobicContact CG1-CD2 4.11Å; V341-Y346 HydrophobicContact CG1-CE2 3.89Å; E344-Y346 HydrophobicContact CB-CD2 4.33Å; E344-Y346 HydrophobicContact CB-CE2 3.64Å; E344-Y346 PolarHBondContact OE2-OH 2.7Å; Y346-L382 WeakPolarHBondContact CA-O 3.19Å; Y346-K383 HydrophobicContact CD1-CB 3.86Å; Y346-K383 HydrophobicContact CD1-CG 4.48Å; Y346-K383 HydrophobicContact CE1-CB 3.61Å; Y346-K383 HydrophobicContact CE1-CD 4.48Å; Y346-K383 HydrophobicContact CE1-CG 4.15Å
347	A	98.6	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.9	168.8	0	0	0	0	0	109.3	V336 L338 I376 S381 L382 V384 M416	V336-A347 HydrophobicContact CG2-CB 4.17Å; L338-A347 HydrophobicContact CD2-CB 3.81Å; A347-I376 HydrophobicContact CB-CD1 4.07Å; A347-S381 WeakPolarHBondContact O-CA 3.25Å; A347-L382 PolarHBondContact N-O 3.05Å; A347-L382 PolarHBondContact O-N 2.9Å; A347-V384 HydrophobicContact CB-CG1 3.72Å; A347-V384 HydrophobicContact CB-CG2 4.41Å; A347-M416 HydrophobicContact CB-CE 3.66Å
348	E	98.4	Very high	97.4	Very high	46 Å²	46	22.3 Å²	22.3	22%	0.215	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.8	174.2	-177.2	178.6	174.5	0	0	110.5	H105 V336 H337 Y339 V350 C380	H105-E348 IonicContact CE1-OE2 2.85Å; H105-E348 IonicContact NE2-OE2 2.85Å; V336-E348 WeakPolarHBondContact CA-O 3.18Å; V336-E348 WeakPolarHBondContact CG2-O 3.31Å; H337-E348 HydrophobicContact CB-CB 4.31Å; H337-E348 PolarHBondContact N-O 3.31Å; H337-E348 IonicContact ND1-OE2 2.7Å; H337-E348 PolarHBondContact O-N 2.9Å; Y339-E348 HydrophobicContact CE1-CB 4.25Å; E348-V350 HydrophobicContact CG-CG1 4.05Å; E348-V350 PolarHBondContact O-N 2.96Å; E348-V350 VanDerWaalsContact O-N 3.13Å; E348-C380 WeakPolarHBondContact CA-O 3.44Å
349	C	98.6	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	95.6	177.7	-174.4	0	0	0	0	109.8	S353 I355 I376 P377 G379 C380	C349-S353 PolarHBondContact SG-O 3.41Å; C349-I355 HydrophobicContact CB-CD1 3.82Å; C349-I355 HydrophobicContact CB-CG1 3.93Å; C349-I376 HydrophobicContact CB-CB 4.47Å; C349-I376 HydrophobicContact CB-CG2 3.84Å; C349-P377 VanDerWaalsContact CB-O 3.28Å; C349-P377 WeakPolarHBondContact CB-O 3.3Å; C349-G379 WeakPolarHBondContact O-CA 3.36Å; C349-G379 PolarHBondContact O-N 3.48Å; C349-C380 PolarHBondContact N-O 2.83Å
350	V	97.9	Very high	97.4	Very high	37 Å²	37	25.1 Å²	25.1	22%	0.224	13%	0.13	C	C	.	.			trans	-90.3	-9.2	177.1	-64.5	0	0	0	0	113	L297 K334 G335 H337 E348	L297-V350 HydrophobicContact CD1-CG2 3.85Å; K334-V350 HydrophobicContact CB-CB 4.22Å; K334-V350 HydrophobicContact CB-CG2 3.85Å; K334-V350 WeakPolarHBondContact CB-O 3.4Å; K334-V350 WeakPolarHBondContact CD-O 3.32Å; K334-V350 WeakPolarHBondContact O-CG2 3.07Å; G335-V350 VanDerWaalsContact O-CG2 3.28Å; G335-V350 WeakPolarHBondContact O-CG2 3.47Å; G335-V350 PolarHBondContact O-N 2.99Å; G335-V350 VanDerWaalsContact O-N 3.14Å; H337-V350 HydrophobicContact CB-CG1 4.1Å; E348-V350 HydrophobicContact CG-CG1 4.05Å; E348-V350 PolarHBondContact O-N 2.96Å; E348-V350 VanDerWaalsContact O-N 3.13Å
351	S	98.1	Very high	97.5	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.021	13%	0.128	C	C	.	.	S	Bend	trans	-68.3	155	169.9	-173.3	0	0	0	0	112.1	H331 I332 G335 S353 S378	H331-S351 PolarHBondContact O-OG 3.33Å; H331-S351 VanDerWaalsContact O-OG 3.13Å; I332-S351 WeakPolarHBondContact O-CB 3.46Å; I332-S351 PolarHBondContact O-OG 3.4Å; G335-S351 WeakPolarHBondContact O-CB 3.3Å; G335-S351 PolarHBondContact O-N 3.21Å; S351-S353 WeakPolarHBondContact CB-O 3.24Å; S351-S353 PolarHBondContact OG-N 3.41Å; S351-S353 VanDerWaalsContact OG-N 3.16Å; S351-S378 WeakPolarHBondContact O-CB 3.17Å; S351-S378 PolarHBondContact O-OG 2.94Å
352	D	98	Very high	97.6	Very high	137 Å²	137	24.3 Å²	24.3	73%	0.733	13%	0.126	S	C	*	.	S	Bend	trans	-73.5	-18.9	170.3	-55.7	-34.6	0	0	0	111.5
353	S	98.3	Very high	97.9	Very high	27 Å²	27	23.9 Å²	23.9	19%	0.189	12%	0.121	C	C	.	.	S	Bend	trans	-99.1	146.9	173.7	-66.5	0	0	0	0	111.4	C349 S351	C349-S353 PolarHBondContact SG-O 3.41Å; S351-S353 WeakPolarHBondContact CB-O 3.24Å; S351-S353 PolarHBondContact OG-N 3.41Å; S351-S353 VanDerWaalsContact OG-N 3.16Å
354	S	98.4	Very high	98	Very high	26 Å²	26	29.2 Å²	29.2	18%	0.182	14%	0.141	C	C	.	.			trans	-64	153.3	176.6	-51.9	0	0	0	0	112.6	K375 I376 V419	S354-K375 VanDerWaalsContact OG-CE 3.25Å; S354-K375 WeakPolarHBondContact OG-CE 3.25Å; S354-I376 WeakPolarHBondContact CA-O 3.43Å; S354-I376 WeakPolarHBondContact CB-O 3.35Å; S354-V419 WeakPolarHBondContact O-CA 3.17Å; S354-V419 PolarHBondContact O-N 2.86Å
355	I	98.8	Very high	97.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	157	167.1	62.4	-177.5	0	0	0	109.6	V336 C349 I376 M416 S417 F418	V336-I355 HydrophobicContact CB-CD1 4.05Å; V336-I355 HydrophobicContact CG2-CD1 3.59Å; C349-I355 HydrophobicContact CB-CD1 3.82Å; C349-I355 HydrophobicContact CB-CG1 3.93Å; I355-I376 HydrophobicContact CD1-CB 4.25Å; I355-I376 HydrophobicContact CD1-CD1 4.02Å; I355-I376 HydrophobicContact CG1-CB 3.71Å; I355-I376 HydrophobicContact CG1-CD1 4.14Å; I355-I376 HydrophobicContact CG1-CG1 4.32Å; I355-I376 HydrophobicContact CG1-CG2 4.4Å; I355-I376 PolarHBondContact N-O 2.85Å; I355-I376 VanDerWaalsContact N-O 3.1Å; I355-I376 PolarHBondContact O-N 2.85Å; I355-M416 HydrophobicContact CB-CG 4.27Å; I355-M416 HydrophobicContact CB-SD 4.31Å; I355-M416 HydrophobicContact CD1-CE 4.21Å; I355-M416 HydrophobicContact CD1-SD 3.83Å; I355-M416 HydrophobicContact CG1-SD 4.49Å; I355-S417 WeakPolarHBondContact CA-O 3.49Å; I355-F418 HydrophobicContact CG2-CD1 3.89Å; I355-F418 HydrophobicContact CG2-CE1 4.36Å
356	F	98.6	Very high	97.6	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.044	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.2	-175.3	-59.9	-91.7	0	0	0	108.2	V373 C374 K375 M416 S417 K420 G421 W422 Y426	F356-V373 HydrophobicContact CB-CG1 3.79Å; F356-C374 CarbonylContact C-O 3.46Å; F356-C374 WeakPolarHBondContact CA-O 3.35Å; F356-K375 HydrophobicContact CD1-CB 3.87Å; F356-K375 HydrophobicContact CD1-CG 4.06Å; F356-K375 HydrophobicContact CE1-CB 3.82Å; F356-K375 HydrophobicContact CE1-CD 3.87Å; F356-K375 HydrophobicContact CE1-CG 3.59Å; F356-K375 HydrophobicContact CZ-CD 4.37Å; F356-K375 HydrophobicContact CZ-CG 4.2Å; F356-M416 CarbonylContact O-C 3.58Å; F356-M416 WeakPolarHBondContact O-CA 3.37Å; F356-S417 PolarHBondContact N-O 2.75Å; F356-S417 PolarHBondContact O-N 3.19Å; F356-K420 VanDerWaalsContact CD2-C 3.43Å; F356-K420 WeakPolarHBondContact CD2-O 3.49Å; F356-K420 VanDerWaalsContact CE2-C 3.46Å; F356-G421 VanDerWaalsContact CE2-N 3.31Å; F356-G421 VanDerWaalsContact CG-CA 3.46Å; F356-W422 HydrophobicContact CB-CE3 4.01Å; F356-W422 HydrophobicContact CB-CH2 4.48Å; F356-W422 HydrophobicContact CB-CZ3 3.57Å; F356-W422 WeakPolarHBondContact O-CH2 3.49Å; F356-W422 WeakPolarHBondContact O-CZ3 3.28Å; F356-Y426 HydrophobicContact CD1-CE2 4.24Å; F356-Y426 HydrophobicContact CE1-CE1 4.26Å; F356-Y426 HydrophobicContact CE1-CE2 4.23Å; F356-Y426 AromaticContact CE1-CZ 3.65Å; F356-Y426 VanDerWaalsContact CE1-OH 3.27Å; F356-Y426 WeakPolarHBondContact CE1-OH 3.45Å
357	V	98.6	Very high	97.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.4	-169	-178.5	0	0	0	0	110.5	C374 I376 V384 I414 R415 M416	V357-C374 PolarHBondContact N-O 2.82Å; V357-C374 PolarHBondContact O-N 2.85Å; V357-I376 HydrophobicContact CB-CD1 4.35Å; V357-I376 HydrophobicContact CG2-CD1 3.52Å; V357-I376 HydrophobicContact CG2-CG1 4.3Å; V357-V384 HydrophobicContact CG1-CG1 3.93Å; V357-I414 HydrophobicContact CG1-CG2 3.73Å; V357-R415 WeakPolarHBondContact CA-O 3.2Å; V357-M416 HydrophobicContact CG2-CB 4.27Å; V357-M416 HydrophobicContact CG2-CE 3.59Å; V357-M416 HydrophobicContact CG2-CG 3.88Å; V357-M416 HydrophobicContact CG2-SD 4.35Å
358	Q	98.4	Very high	97	Very high	31 Å²	31	36.4 Å²	36.4	15%	0.145	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	106.6	165.2	-176.4	-176.3	79.9	0	0	108	A371 V373 R415 W422	Q358-A371 PolarHBondContact NE2-O 3.23Å; Q358-V373 HydrophobicContact CB-CG2 4.47Å; Q358-R415 PolarHBondContact N-O 2.76Å; Q358-R415 PolarHBondContact O-N 3.03Å; Q358-W422 HydrophobicContact CB-CH2 4.24Å; Q358-W422 HydrophobicContact CB-CZ2 3.64Å
359	S	98.5	Very high	96.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.2	170.6	169.4	0	0	0	0	108.5	N361 C362 N363 V384	S359-N361 PolarHBondContact O-N 3.35Å; S359-N361 PolarHBondContact OG-N 3.18Å; S359-C362 PolarHBondContact O-N 2.96Å; S359-C362 PolarHBondContact OG-N 3.12Å; S359-N363 WeakPolarHBondContact O-CB 3.42Å; S359-N363 PolarHBondContact O-N 3.25Å; S359-N363 PolarHBondContact O-ND2 2.97Å; S359-N363 PolarHBondContact O-OD1 3.42Å; S359-V384 VanDerWaalsContact CB-O 3.3Å; S359-V384 WeakPolarHBondContact CB-O 3.48Å; S359-V384 PolarHBondContact OG-O 3.05Å
360	R	97.3	Very high	96.5	Very high	80 Å²	80	39.6 Å²	39.6	30%	0.302	21%	0.213	S	C	.	.	H	α-helix	trans	-63.6	-33.4	178.3	-62.8	-172.8	176.6	-153.6	-6.2	112.2	Y364 P370 K410 M411	R360-Y364 VanDerWaalsContact O-CB 3.28Å; R360-Y364 WeakPolarHBondContact O-CB 3.18Å; R360-Y364 PolarHBondContact O-N 3.43Å; R360-P370 HydrophobicContact CG-CB 4.38Å; R360-K410 WeakPolarHBondContact CD-O 3.34Å; R360-K410 VanDerWaalsContact CZ-CB 3.45Å; R360-M411 HydrophobicContact CB-CG 4.4Å; R360-M411 HydrophobicContact CB-SD 3.29Å; R360-M411 WeakPolarHBondContact CB-SD 3.33Å; R360-M411 HydrophobicContact CG-SD 4.49Å
361	N	98.1	Very high	96.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-47.9	175.3	-176.5	-77.8	0	0	0	111.3	S359 Y364 Q365 F385 N386 M411	S359-N361 PolarHBondContact O-N 3.35Å; S359-N361 PolarHBondContact OG-N 3.18Å; N361-Y364 PolarHBondContact O-N 3.46Å; N361-Q365 PolarHBondContact O-N 3.05Å; N361-F385 HydrophobicContact CB-CD2 3.4Å; N361-F385 VanDerWaalsContact CB-CD2 3.4Å; N361-F385 HydrophobicContact CB-CE2 3.66Å; N361-F385 HydrophobicContact CB-CG 4.22Å; N361-F385 WeakPolarHBondContact OD1-CA 3.4Å; N361-N386 PolarHBondContact ND2-O 3.5Å; N361-N386 PolarHBondContact OD1-N 2.99Å; N361-M411 VanDerWaalsContact CA-CE 3.49Å; N361-M411 HydrophobicContact CB-CE 3.92Å
362	C	97.6	Very high	96.1	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-44.6	176.6	-175.7	0	0	0	0	111.9	S359 Y364 Q365 H366 K383	S359-C362 PolarHBondContact O-N 2.96Å; S359-C362 PolarHBondContact OG-N 3.12Å; C362-Y364 PolarHBondContact O-N 3.12Å; C362-Q365 PolarHBondContact O-N 2.76Å; C362-H366 PolarHBondContact O-N 3.31Å; C362-H366 PolarHBondContact O-ND1 2.79Å; C362-K383 PolarHBondContact SG-O 3.33Å; C362-K383 VanDerWaalsContact SG-O 3.35Å
363	N	96.5	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-46.3	178.8	-69.8	-11.8	0	0	0	111	S359 Q365 H366 G367 F368 H369 P370 T372 C374	S359-N363 WeakPolarHBondContact O-CB 3.42Å; S359-N363 PolarHBondContact O-N 3.25Å; S359-N363 PolarHBondContact O-ND2 2.97Å; S359-N363 PolarHBondContact O-OD1 3.42Å; N363-Q365 PolarHBondContact O-N 3.24Å; N363-H366 PolarHBondContact O-N 2.77Å; N363-G367 PolarHBondContact O-N 2.89Å; N363-G367 VanDerWaalsContact O-N 3.09Å; N363-F368 HydrophobicContact CB-CB 4.06Å; N363-F368 PolarHBondContact O-N 2.9Å; N363-H369 PolarHBondContact ND2-O 2.9Å; N363-P370 PolarHBondContact ND2-O 3.27Å; N363-T372 PolarHBondContact ND2-N 3.19Å; N363-T372 PolarHBondContact ND2-O 3.05Å; N363-C374 PolarHBondContact OD1-SG 3.27Å
364	Y	94.9	Very high	96.1	Very high	115 Å²	115	31.7 Å²	31.7	45%	0.451	17%	0.172	S	C	.	.	H	α-helix	trans	-59.4	-45.5	176.1	-176	-86.2	0	0	0	112.1	R360 N361 C362 H366 G367 L389 L393	R360-Y364 VanDerWaalsContact O-CB 3.28Å; R360-Y364 WeakPolarHBondContact O-CB 3.18Å; R360-Y364 PolarHBondContact O-N 3.43Å; N361-Y364 PolarHBondContact O-N 3.46Å; C362-Y364 PolarHBondContact O-N 3.12Å; Y364-H366 PolarHBondContact O-N 2.94Å; Y364-G367 PolarHBondContact O-N 2.95Å; Y364-G367 VanDerWaalsContact O-N 3.14Å; Y364-L389 HydrophobicContact CD1-CD1 4Å; Y364-L389 HydrophobicContact CD1-CD2 4.21Å; Y364-L389 HydrophobicContact CD1-CG 4.48Å; Y364-L389 HydrophobicContact CE1-CD1 4Å; Y364-L393 HydrophobicContact CD1-CD1 4.01Å; Y364-L393 HydrophobicContact CD1-CD2 4.39Å; Y364-L393 HydrophobicContact CE1-CD1 4.17Å; Y364-L393 HydrophobicContact CE1-CD2 3.74Å; Y364-L393 HydrophobicContact CE1-CG 4.36Å; Y364-L393 HydrophobicContact CE2-CD2 4.12Å; Y364-L393 HydrophobicContact CG-CD1 4.3Å
365	Q	94.2	Very high	96	Very high	69 Å²	69	33.5 Å²	33.5	32%	0.322	18%	0.177	S	C	.	.	H	α-helix	trans	-58.3	-31.7	-179.3	-163.7	-170	-89.8	0	0	112.9	N361 C362 N363 L389	N361-Q365 PolarHBondContact O-N 3.05Å; C362-Q365 PolarHBondContact O-N 2.76Å; N363-Q365 PolarHBondContact O-N 3.24Å; Q365-L389 HydrophobicContact CB-CD2 3.65Å; Q365-L389 HydrophobicContact CG-CD2 3.97Å
366	H	92.7	Very high	96	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.259	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	7.8	-177.7	-58	93.2	0	0	0	113.2	F181 C362 N363 Y364 F368	F181-H366 AromaticContact CD1-CD2 3.7Å; F181-H366 AromaticContact CD1-CE1 3.77Å; F181-H366 AromaticContact CD1-CG 3.88Å; F181-H366 AromaticContact CD1-ND1 3.92Å; F181-H366 AromaticContact CD1-NE2 3.67Å; F181-H366 AromaticContact CE1-CE1 3.96Å; F181-H366 AromaticContact CE1-ND1 3.91Å; C362-H366 PolarHBondContact O-N 3.31Å; C362-H366 PolarHBondContact O-ND1 2.79Å; N363-H366 PolarHBondContact O-N 2.77Å; Y364-H366 PolarHBondContact O-N 2.94Å; H366-F368 VanDerWaalsContact C-N 3.25Å; H366-F368 HydrophobicContact CB-CD1 4.43Å; H366-F368 HydrophobicContact CB-CD2 3.96Å; H366-F368 HydrophobicContact CB-CE1 4.17Å; H366-F368 HydrophobicContact CB-CE2 3.67Å; H366-F368 HydrophobicContact CB-CG 4.32Å; H366-F368 HydrophobicContact CB-CZ 3.78Å; H366-F368 PolarHBondContact O-N 2.98Å
367	G	91.6	Very high	96	Very high	70 Å²	70	34.6 Å²	34.6	72%	0.722	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	18.6	179.9	0	0	0	0	0	114.5	N363 Y364	N363-G367 PolarHBondContact O-N 2.89Å; N363-G367 VanDerWaalsContact O-N 3.09Å; Y364-G367 PolarHBondContact O-N 2.95Å; Y364-G367 VanDerWaalsContact O-N 3.14Å
368	F	93.4	Very high	96	Very high	48 Å²	48	37.2 Å²	37.2	21%	0.211	20%	0.203	C	C	.	.			trans	-80.7	159.5	174	-54.7	-31	0	0	0	111.3	A175 S180 F181 N363 H366 T372	A175-F368 HydrophobicContact CB-CD2 4.28Å; A175-F368 HydrophobicContact CB-CE2 3.83Å; A175-F368 HydrophobicContact CB-CZ 4.16Å; S180-F368 VanDerWaalsContact O-CZ 3.28Å; S180-F368 WeakPolarHBondContact O-CZ 3.1Å; F181-F368 HydrophobicContact CD1-CE2 4.26Å; F181-F368 AromaticContact CE1-CE2 3.87Å; F181-F368 HydrophobicContact CE1-CE2 3.87Å; F181-F368 HydrophobicContact CE2-CE2 4.34Å; F181-F368 AromaticContact CZ-CE2 3.93Å; F181-F368 HydrophobicContact CZ-CE2 3.93Å; N363-F368 HydrophobicContact CB-CB 4.06Å; N363-F368 PolarHBondContact O-N 2.9Å; H366-F368 VanDerWaalsContact C-N 3.25Å; H366-F368 HydrophobicContact CB-CD1 4.43Å; H366-F368 HydrophobicContact CB-CD2 3.96Å; H366-F368 HydrophobicContact CB-CE1 4.17Å; H366-F368 HydrophobicContact CB-CE2 3.67Å; H366-F368 HydrophobicContact CB-CG 4.32Å; H366-F368 HydrophobicContact CB-CZ 3.78Å; H366-F368 PolarHBondContact O-N 2.98Å; F368-T372 HydrophobicContact CB-CG2 4.09Å; F368-T372 HydrophobicContact CD2-CG2 4.21Å; F368-T372 HydrophobicContact CG-CG2 4.31Å
369	H	93.4	Very high	95.8	Very high	62 Å²	62	38.5 Å²	38.5	29%	0.287	23%	0.225	S	C	.	.			trans	-59.8	141.7	171.8	-175.5	-87.3	0	0	0	110.5	P172 N363 A371 T372	P172-H369 HydrophobicContact CB-CB 3.35Å; P172-H369 HydrophobicContact CG-CB 3.95Å; P172-H369 WeakPolarHBondContact CG-ND1 3.46Å; N363-H369 PolarHBondContact ND2-O 2.9Å; H369-A371 PolarHBondContact ND1-N 2.83Å; H369-A371 VanDerWaalsContact ND1-N 3.11Å; H369-A371 PolarHBondContact O-N 3.03Å; H369-T372 VanDerWaalsContact O-CB 3.26Å; H369-T372 WeakPolarHBondContact O-CB 3.42Å; H369-T372 PolarHBondContact O-N 3.11Å; H369-T372 PolarHBondContact O-OG1 2.86Å
370	P	92.4	Very high	95.8	Very high	51 Å²	51	40 Å²	40	33%	0.331	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29	-175.8	-28.9	35.6	0	0	0	114.9	R360 N363	R360-P370 HydrophobicContact CG-CB 4.38Å; N363-P370 PolarHBondContact ND2-O 3.27Å
371	A	93.8	Very high	95.8	Very high	31 Å²	31	37.7 Å²	37.7	26%	0.256	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.5	178.1	0	0	0	0	0	115.2	P172 Q358 H369 V373	P172-A371 HydrophobicContact CG-CB 4.04Å; Q358-A371 PolarHBondContact NE2-O 3.23Å; H369-A371 PolarHBondContact ND1-N 2.83Å; H369-A371 VanDerWaalsContact ND1-N 3.11Å; H369-A371 PolarHBondContact O-N 3.03Å; A371-V373 PolarHBondContact O-N 2.78Å
372	T	95	Very high	95.8	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.037	23%	0.232	C	C	.	.			trans	-55.9	137.4	178	-72.4	0	0	0	0	111.4	H173 A175 N363 F368 H369	H173-T372 WeakPolarHBondContact O-CG2 3.35Å; H173-T372 PolarHBondContact O-OG1 2.93Å; A175-T372 HydrophobicContact CB-CG2 4.05Å; N363-T372 PolarHBondContact ND2-N 3.19Å; N363-T372 PolarHBondContact ND2-O 3.05Å; F368-T372 HydrophobicContact CB-CG2 4.09Å; F368-T372 HydrophobicContact CD2-CG2 4.21Å; F368-T372 HydrophobicContact CG-CG2 4.31Å; H369-T372 VanDerWaalsContact O-CB 3.26Å; H369-T372 WeakPolarHBondContact O-CB 3.42Å; H369-T372 PolarHBondContact O-N 3.11Å; H369-T372 PolarHBondContact O-OG1 2.86Å
373	V	97.4	Very high	95.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.			trans	-103.1	122.6	175	-176.6	0	0	0	0	109	N174 A175 F356 Q358 A371 W422	N174-V373 WeakPolarHBondContact CA-O 2.89Å; N174-V373 WeakPolarHBondContact CB-O 3.32Å; N174-V373 WeakPolarHBondContact OD1-CB 2.92Å; A175-V373 PolarHBondContact N-O 2.68Å; F356-V373 HydrophobicContact CB-CG1 3.79Å; Q358-V373 HydrophobicContact CB-CG2 4.47Å; A371-V373 PolarHBondContact O-N 2.78Å; V373-W422 WeakPolarHBondContact CB-O 3.29Å; V373-W422 HydrophobicContact CG1-CD2 4.14Å; V373-W422 HydrophobicContact CG1-CE3 3.99Å; V373-W422 HydrophobicContact CG1-CH2 3.94Å; V373-W422 HydrophobicContact CG1-CZ2 4.09Å; V373-W422 HydrophobicContact CG1-CZ3 3.89Å; V373-W422 HydrophobicContact CG2-CD2 3.97Å; V373-W422 VanDerWaalsContact CG2-CE2 3.47Å; V373-W422 HydrophobicContact CG2-CG 4.28Å; V373-W422 HydrophobicContact CG2-CH2 4.49Å; V373-W422 HydrophobicContact CG2-CZ2 3.79Å; V373-W422 VanDerWaalsContact CG2-O 3.29Å; V373-W422 WeakPolarHBondContact CG2-O 3.47Å
374	C	97.8	Very high	95.9	Very high	2 Å²	2	40 Å²	40	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.7	-179.7	-61.7	0	0	0	0	110.3	A175 F181 F356 V357 N363 L382	A175-C374 CarbonylContact O-C 3.57Å; A175-C374 VanDerWaalsContact O-CA 3.31Å; A175-C374 WeakPolarHBondContact O-CA 3.34Å; F181-C374 HydrophobicContact CZ-CB 3.98Å; F356-C374 CarbonylContact C-O 3.46Å; F356-C374 WeakPolarHBondContact CA-O 3.35Å; V357-C374 PolarHBondContact N-O 2.82Å; V357-C374 PolarHBondContact O-N 2.85Å; N363-C374 PolarHBondContact OD1-SG 3.27Å; C374-L382 HydrophobicContact CB-CD2 4.09Å
375	K	98.1	Very high	96.1	Very high	64 Å²	64	34.5 Å²	34.5	28%	0.278	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.8	170.3	-179.7	-177.2	178.2	-172.7	0	110	A175 T176 Y177 S354 F356	A175-K375 PolarHBondContact O-N 2.92Å; T176-K375 HydrophobicContact CG2-CB 4.41Å; T176-K375 HydrophobicContact CG2-CD 4.15Å; T176-K375 HydrophobicContact CG2-CG 4.49Å; Y177-K375 PolarHBondContact N-O 3.41Å; S354-K375 VanDerWaalsContact OG-CE 3.25Å; S354-K375 WeakPolarHBondContact OG-CE 3.25Å; F356-K375 HydrophobicContact CD1-CB 3.87Å; F356-K375 HydrophobicContact CD1-CG 4.06Å; F356-K375 HydrophobicContact CE1-CB 3.82Å; F356-K375 HydrophobicContact CE1-CD 3.87Å; F356-K375 HydrophobicContact CE1-CG 3.59Å; F356-K375 HydrophobicContact CZ-CD 4.37Å; F356-K375 HydrophobicContact CZ-CG 4.2Å
376	I	98.4	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.1	172	-51.4	172.1	0	0	0	107.6	A347 C349 S354 I355 V357 C380 L382	A347-I376 HydrophobicContact CB-CD1 4.07Å; C349-I376 HydrophobicContact CB-CB 4.47Å; C349-I376 HydrophobicContact CB-CG2 3.84Å; S354-I376 WeakPolarHBondContact CA-O 3.43Å; S354-I376 WeakPolarHBondContact CB-O 3.35Å; I355-I376 HydrophobicContact CD1-CB 4.25Å; I355-I376 HydrophobicContact CD1-CD1 4.02Å; I355-I376 HydrophobicContact CG1-CB 3.71Å; I355-I376 HydrophobicContact CG1-CD1 4.14Å; I355-I376 HydrophobicContact CG1-CG1 4.32Å; I355-I376 HydrophobicContact CG1-CG2 4.4Å; I355-I376 PolarHBondContact N-O 2.85Å; I355-I376 VanDerWaalsContact N-O 3.1Å; I355-I376 PolarHBondContact O-N 2.85Å; V357-I376 HydrophobicContact CB-CD1 4.35Å; V357-I376 HydrophobicContact CG2-CD1 3.52Å; V357-I376 HydrophobicContact CG2-CG1 4.3Å; I376-C380 HydrophobicContact CG2-CB 3.79Å; I376-C380 WeakPolarHBondContact CG2-O 3.43Å; I376-L382 HydrophobicContact CD1-CB 3.7Å; I376-L382 HydrophobicContact CD1-CD2 3.96Å; I376-L382 HydrophobicContact CD1-CG 4.42Å; I376-L382 HydrophobicContact CG1-CB 4.03Å; I376-L382 HydrophobicContact CG1-CD2 3.98Å
377	P	98.4	Very high	96.4	Very high	33 Å²	33	29.8 Å²	29.8	21%	0.214	20%	0.198	C	C	.	.			trans	-65.4	164.2	176.1	-22	34.3	0	0	0	113.2	T176 Y177 C349 G379 C380	T176-P377 HydrophobicContact CG2-CG 4.43Å; Y177-P377 WeakPolarHBondContact O-CD 3.43Å; Y177-P377 WeakPolarHBondContact O-CG 3.35Å; C349-P377 VanDerWaalsContact CB-O 3.28Å; C349-P377 WeakPolarHBondContact CB-O 3.3Å; P377-G379 PolarHBondContact O-N 3Å; P377-C380 VanDerWaalsContact O-CB 3.3Å; P377-C380 WeakPolarHBondContact O-CB 3.03Å; P377-C380 PolarHBondContact O-N 2.87Å; P377-C380 VanDerWaalsContact O-N 3.09Å
378	S	97.8	Very high	96.6	Very high	57 Å²	57	31.1 Å²	31.1	40%	0.399	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.9	175.3	-174.6	0	0	0	0	111.5	S351 C380	S351-S378 WeakPolarHBondContact O-CB 3.17Å; S351-S378 PolarHBondContact O-OG 2.94Å; S378-C380 PolarHBondContact O-N 3.29Å
379	G	95.6	Very high	96.7	Very high	58 Å²	58	29.9 Å²	29.9	60%	0.598	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	-0.5	-178.6	0	0	0	0	0	115.3	C349 P377	C349-G379 WeakPolarHBondContact O-CA 3.36Å; C349-G379 PolarHBondContact O-N 3.48Å; P377-G379 PolarHBondContact O-N 3Å
380	C	97.6	Very high	96.8	Very high	32 Å²	32	27 Å²	27	22%	0.216	17%	0.168	C	C	.	.			trans	-90.7	150	176.2	-64.5	0	0	0	0	111.6	Y177 E348 C349 I376 P377 S378	Y177-C380 HydrophobicContact CD1-CB 3.9Å; Y177-C380 HydrophobicContact CE1-CB 4.28Å; E348-C380 WeakPolarHBondContact CA-O 3.44Å; C349-C380 PolarHBondContact N-O 2.83Å; I376-C380 HydrophobicContact CG2-CB 3.79Å; I376-C380 WeakPolarHBondContact CG2-O 3.43Å; P377-C380 VanDerWaalsContact O-CB 3.3Å; P377-C380 WeakPolarHBondContact O-CB 3.03Å; P377-C380 PolarHBondContact O-N 2.87Å; P377-C380 VanDerWaalsContact O-N 3.09Å; S378-C380 PolarHBondContact O-N 3.29Å
381	S	97.2	Very high	96.9	Very high	32 Å²	32	24.8 Å²	24.8	22%	0.224	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.9	174.3	-168.9	0	0	0	0	109.9	Y177 Y339 A347	Y177-S381 WeakPolarHBondContact CE1-O 3.29Å; Y177-S381 PolarHBondContact OH-O 2.73Å; Y339-S381 PolarHBondContact OH-OG 2.94Å; A347-S381 WeakPolarHBondContact O-CA 3.25Å
382	L	98	Very high	96.9	Very high	5 Å²	5	28 Å²	28	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.2	178.9	174.8	61.4	0	0	0	109.8	Y177 F181 Y346 A347 C374 I376 V384	Y177-L382 HydrophobicContact CD2-CB 4.47Å; Y177-L382 HydrophobicContact CD2-CD1 3.65Å; Y177-L382 HydrophobicContact CE2-CD1 3.82Å; F181-L382 HydrophobicContact CD1-CD1 3.93Å; F181-L382 HydrophobicContact CE1-CD1 3.46Å; F181-L382 VanDerWaalsContact CE1-CD1 3.46Å; F181-L382 HydrophobicContact CE1-CD2 4.11Å; F181-L382 HydrophobicContact CE1-CG 4.45Å; F181-L382 HydrophobicContact CZ-CD1 3.88Å; F181-L382 HydrophobicContact CZ-CD2 3.81Å; Y346-L382 WeakPolarHBondContact CA-O 3.19Å; A347-L382 PolarHBondContact N-O 3.05Å; A347-L382 PolarHBondContact O-N 2.9Å; C374-L382 HydrophobicContact CB-CD2 4.09Å; I376-L382 HydrophobicContact CD1-CB 3.7Å; I376-L382 HydrophobicContact CD1-CD2 3.96Å; I376-L382 HydrophobicContact CD1-CG 4.42Å; I376-L382 HydrophobicContact CG1-CB 4.03Å; I376-L382 HydrophobicContact CG1-CD2 3.98Å; L382-V384 HydrophobicContact CD2-CG1 4.4Å; L382-V384 HydrophobicContact CG-CG1 4.26Å; L382-V384 PolarHBondContact O-N 2.85Å
383	K	98.3	Very high	96.8	Very high	47 Å²	47	27.9 Å²	27.9	20%	0.204	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	111.1	166.3	-176.7	171.4	57.6	168.7	0	108.9	E344 Y346 C362 N386	E344-K383 HydrophobicContact CB-CD 4.06Å; E344-K383 HydrophobicContact CB-CG 4.47Å; E344-K383 VanDerWaalsContact CD-CD 3.44Å; E344-K383 HydrophobicContact CG-CD 4.02Å; E344-K383 WeakPolarHBondContact OE1-CD 3.32Å; E344-K383 WeakPolarHBondContact OE1-CE 3.46Å; E344-K383 IonicContact OE1-NZ 2.97Å; E344-K383 PolarHBondContact OE1-NZ 3.17Å; Y346-K383 HydrophobicContact CD1-CB 3.86Å; Y346-K383 HydrophobicContact CD1-CG 4.48Å; Y346-K383 HydrophobicContact CE1-CB 3.61Å; Y346-K383 HydrophobicContact CE1-CD 4.48Å; Y346-K383 HydrophobicContact CE1-CG 4.15Å; C362-K383 PolarHBondContact SG-O 3.33Å; C362-K383 VanDerWaalsContact SG-O 3.35Å; K383-N386 HydrophobicContact CD-CB 4.37Å
384	V	98.4	Very high	96.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-17.5	-176.4	-62.9	0	0	0	0	112.7	V345 A347 V357 S359 L382 I414	V345-V384 HydrophobicContact CB-CG2 4.12Å; V345-V384 HydrophobicContact CG1-CG2 3.82Å; V345-V384 WeakPolarHBondContact O-CG2 3.02Å; V345-V384 PolarHBondContact O-N 2.96Å; A347-V384 HydrophobicContact CB-CG1 3.72Å; A347-V384 HydrophobicContact CB-CG2 4.41Å; V357-V384 HydrophobicContact CG1-CG1 3.93Å; S359-V384 VanDerWaalsContact CB-O 3.3Å; S359-V384 WeakPolarHBondContact CB-O 3.48Å; S359-V384 PolarHBondContact OG-O 3.05Å; L382-V384 HydrophobicContact CD2-CG1 4.4Å; L382-V384 HydrophobicContact CG-CG1 4.26Å; L382-V384 PolarHBondContact O-N 2.85Å; V384-I414 HydrophobicContact CB-CD1 4.19Å; V384-I414 HydrophobicContact CG2-CD1 3.9Å
385	F	98.6	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.1	175.5	-161.7	-90.5	0	0	0	111.8	E344 V345 N361 N387 F390 M411 I414 L442 P445	E344-F385 CarbonylContact C-O 3.51Å; E344-F385 WeakPolarHBondContact CA-O 3.21Å; V345-F385 HydrophobicContact CB-CB 3.86Å; V345-F385 HydrophobicContact CG2-CB 4.04Å; V345-F385 PolarHBondContact N-O 2.74Å; V345-F385 PolarHBondContact O-N 2.82Å; V345-F385 VanDerWaalsContact O-N 3.14Å; N361-F385 HydrophobicContact CB-CD2 3.4Å; N361-F385 VanDerWaalsContact CB-CD2 3.4Å; N361-F385 HydrophobicContact CB-CE2 3.66Å; N361-F385 HydrophobicContact CB-CG 4.22Å; N361-F385 WeakPolarHBondContact OD1-CA 3.4Å; F385-N387 WeakPolarHBondContact CE1-OD1 3.32Å; F385-F390 HydrophobicContact CE1-CB 3.92Å; F385-F390 HydrophobicContact CE1-CG 4.38Å; F385-F390 HydrophobicContact CE2-CD2 4.49Å; F385-F390 HydrophobicContact CZ-CB 3.65Å; F385-F390 AromaticContact CZ-CD2 3.87Å; F385-F390 HydrophobicContact CZ-CD2 3.87Å; F385-F390 AromaticContact CZ-CG 3.78Å; F385-F390 HydrophobicContact CZ-CG 3.78Å; F385-M411 WeakPolarHBondContact CE2-O 3.36Å; F385-I414 HydrophobicContact CB-CD1 4.22Å; F385-I414 HydrophobicContact CD2-CD1 4.47Å; F385-L442 HydrophobicContact CB-CD1 3.82Å; F385-L442 HydrophobicContact CD1-CD1 3.71Å; F385-L442 HydrophobicContact CD2-CD1 3.31Å; F385-L442 HydrophobicContact CE1-CD1 4.06Å; F385-L442 HydrophobicContact CE2-CD1 3.68Å; F385-L442 HydrophobicContact CG-CD1 3.32Å; F385-L442 HydrophobicContact CZ-CD1 4.03Å; F385-P445 HydrophobicContact CE1-CB 4.37Å; F385-P445 HydrophobicContact CE1-CG 3.53Å; F385-P445 HydrophobicContact CZ-CB 3.93Å; F385-P445 HydrophobicContact CZ-CG 3.56Å
386	N	97.3	Very high	95.9	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.107	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.3	170.8	177.1	-54.7	0	0	0	109.8	E344 N361 K383 Q388 L389 F390	E344-N386 HydrophobicContact CG-CB 4.41Å; E344-N386 PolarHBondContact OE1-ND2 3.26Å; N361-N386 PolarHBondContact ND2-O 3.5Å; N361-N386 PolarHBondContact OD1-N 2.99Å; K383-N386 HydrophobicContact CD-CB 4.37Å; N386-Q388 PolarHBondContact O-N 3.32Å; N386-Q388 WeakPolarHBondContact OD1-CA 3.28Å; N386-Q388 VanDerWaalsContact OD1-CB 3.28Å; N386-Q388 WeakPolarHBondContact OD1-CB 3.44Å; N386-Q388 PolarHBondContact OD1-N 3.13Å; N386-L389 HydrophobicContact CB-CB 4.2Å; N386-L389 PolarHBondContact O-N 3.34Å; N386-L389 PolarHBondContact OD1-N 2.92Å; N386-F390 PolarHBondContact O-N 3.39Å; N386-F390 VanDerWaalsContact O-N 3.13Å
387	N	96.1	Very high	95.5	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-33.2	-178.7	-79.9	-19.5	0	0	0	113.1	L139 Y267 Y340 G343 F385 F390 A391	L139-N387 HydrophobicContact CD1-CB 3.84Å; L139-N387 HydrophobicContact CD2-CB 4.47Å; Y267-N387 PolarHBondContact OH-ND2 2.99Å; Y340-N387 PolarHBondContact OH-ND2 3.02Å; Y340-N387 VanDerWaalsContact OH-ND2 3.11Å; G343-N387 WeakPolarHBondContact O-CB 3.29Å; G343-N387 VanDerWaalsContact O-CG 3.31Å; G343-N387 PolarHBondContact O-N 3.18Å; G343-N387 PolarHBondContact O-ND2 3.15Å; F385-N387 WeakPolarHBondContact CE1-OD1 3.32Å; N387-F390 PolarHBondContact O-N 3.16Å; N387-A391 WeakPolarHBondContact O-CB 3.32Å; N387-A391 PolarHBondContact O-N 3.31Å
388	Q	95.3	Very high	95	Very high	97 Å²	97	30 Å²	30	45%	0.453	18%	0.178	S	C	.	.	H	α-helix	trans	-68	-41.2	178.9	-168.8	176.6	18.6	0	0	111.3	L139 N386 F390 A391 Q392	L139-Q388 HydrophobicContact CD2-CB 4.12Å; L139-Q388 HydrophobicContact CD2-CG 4.48Å; N386-Q388 PolarHBondContact O-N 3.32Å; N386-Q388 WeakPolarHBondContact OD1-CA 3.28Å; N386-Q388 VanDerWaalsContact OD1-CB 3.28Å; N386-Q388 WeakPolarHBondContact OD1-CB 3.44Å; N386-Q388 PolarHBondContact OD1-N 3.13Å; Q388-F390 VanDerWaalsContact C-N 3.34Å; Q388-A391 WeakPolarHBondContact O-CB 3.14Å; Q388-A391 PolarHBondContact O-N 2.99Å; Q388-Q392 WeakPolarHBondContact O-CG 3.19Å; Q388-Q392 PolarHBondContact O-N 2.78Å
389	L	95.6	Very high	94.3	Very high	23 Å²	23	33.1 Å²	33.1	12%	0.12	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-44.5	172	176.4	61.3	0	0	0	111.1	Y364 Q365 N386 A391 Q392 L393	Y364-L389 HydrophobicContact CD1-CD1 4Å; Y364-L389 HydrophobicContact CD1-CD2 4.21Å; Y364-L389 HydrophobicContact CD1-CG 4.48Å; Y364-L389 HydrophobicContact CE1-CD1 4Å; Q365-L389 HydrophobicContact CB-CD2 3.65Å; Q365-L389 HydrophobicContact CG-CD2 3.97Å; N386-L389 HydrophobicContact CB-CB 4.2Å; N386-L389 PolarHBondContact O-N 3.34Å; N386-L389 PolarHBondContact OD1-N 2.92Å; L389-A391 PolarHBondContact O-N 3.36Å; L389-Q392 PolarHBondContact O-N 3.1Å; L389-L393 HydrophobicContact CD1-CD1 4.32Å; L389-L393 HydrophobicContact CD1-CG 4.38Å; L389-L393 HydrophobicContact CG-CD1 4.23Å; L389-L393 WeakPolarHBondContact O-CG 3.5Å; L389-L393 PolarHBondContact O-N 2.86Å
390	F	96.8	Very high	93.6	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-43.3	176.6	-179.1	-99.4	0	0	0	112.2	F385 N386 N387 Q388 Q392 L393 L394 L408 M411 P445 W448 L449	F385-F390 HydrophobicContact CE1-CB 3.92Å; F385-F390 HydrophobicContact CE1-CG 4.38Å; F385-F390 HydrophobicContact CE2-CD2 4.49Å; F385-F390 HydrophobicContact CZ-CB 3.65Å; F385-F390 AromaticContact CZ-CD2 3.87Å; F385-F390 HydrophobicContact CZ-CD2 3.87Å; F385-F390 AromaticContact CZ-CG 3.78Å; F385-F390 HydrophobicContact CZ-CG 3.78Å; N386-F390 PolarHBondContact O-N 3.39Å; N386-F390 VanDerWaalsContact O-N 3.13Å; N387-F390 PolarHBondContact O-N 3.16Å; Q388-F390 VanDerWaalsContact C-N 3.34Å; F390-Q392 VanDerWaalsContact C-N 3.32Å; F390-Q392 PolarHBondContact O-N 3.44Å; F390-L393 PolarHBondContact O-N 3.4Å; F390-L394 HydrophobicContact CE1-CD2 3.98Å; F390-L394 WeakPolarHBondContact O-CB 3.43Å; F390-L394 PolarHBondContact O-N 3.41Å; F390-L408 HydrophobicContact CE2-CB 4.25Å; F390-M411 HydrophobicContact CD2-CB 4.25Å; F390-M411 HydrophobicContact CE2-CB 4.14Å; F390-P445 HydrophobicContact CD1-CB 3.95Å; F390-P445 HydrophobicContact CE1-CB 3.71Å; F390-P445 HydrophobicContact CE2-CB 4.37Å; F390-P445 HydrophobicContact CG-CB 4.37Å; F390-P445 HydrophobicContact CZ-CB 3.94Å; F390-W448 HydrophobicContact CD1-CE3 4.46Å; F390-L449 HydrophobicContact CZ-CB 4.41Å
391	A	93.8	Very high	92.9	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-57	-45.2	176.2	0	0	0	0	0	112	L139 N387 Q388 L389 L394 A395 W448	L139-A391 HydrophobicContact CD2-CB 4.44Å; N387-A391 WeakPolarHBondContact O-CB 3.32Å; N387-A391 PolarHBondContact O-N 3.31Å; Q388-A391 WeakPolarHBondContact O-CB 3.14Å; Q388-A391 PolarHBondContact O-N 2.99Å; L389-A391 PolarHBondContact O-N 3.36Å; A391-L394 PolarHBondContact O-N 3.13Å; A391-A395 WeakPolarHBondContact O-CB 3.38Å; A391-A395 PolarHBondContact O-N 3.25Å; A391-W448 HydrophobicContact CB-CH2 3.48Å; A391-W448 VanDerWaalsContact CB-CH2 3.48Å; A391-W448 HydrophobicContact CB-CZ3 3.48Å; A391-W448 VanDerWaalsContact CB-CZ3 3.48Å
392	Q	93.3	Very high	92.4	Very high	98 Å²	98	31.9 Å²	31.9	46%	0.458	16%	0.16	S	C	.	.	H	α-helix	trans	-62	-46.3	177.3	-70.5	169.8	4.4	0	0	111.5	Q388 L389 F390 A395 Q396	Q388-Q392 WeakPolarHBondContact O-CG 3.19Å; Q388-Q392 PolarHBondContact O-N 2.78Å; L389-Q392 PolarHBondContact O-N 3.1Å; F390-Q392 VanDerWaalsContact C-N 3.32Å; F390-Q392 PolarHBondContact O-N 3.44Å; Q392-A395 PolarHBondContact O-N 3.47Å; Q392-Q396 WeakPolarHBondContact O-CB 3.21Å; Q392-Q396 VanDerWaalsContact O-CG 3.26Å; Q392-Q396 WeakPolarHBondContact O-CG 3.44Å; Q392-Q396 PolarHBondContact O-N 3.38Å
393	L	93.6	Very high	91.8	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-40.9	178.1	-69.7	175	0	0	0	112.1	Y364 L389 F390 S397 M411	Y364-L393 HydrophobicContact CD1-CD1 4.01Å; Y364-L393 HydrophobicContact CD1-CD2 4.39Å; Y364-L393 HydrophobicContact CE1-CD1 4.17Å; Y364-L393 HydrophobicContact CE1-CD2 3.74Å; Y364-L393 HydrophobicContact CE1-CG 4.36Å; Y364-L393 HydrophobicContact CE2-CD2 4.12Å; Y364-L393 HydrophobicContact CG-CD1 4.3Å; L389-L393 HydrophobicContact CD1-CD1 4.32Å; L389-L393 HydrophobicContact CD1-CG 4.38Å; L389-L393 HydrophobicContact CG-CD1 4.23Å; L389-L393 WeakPolarHBondContact O-CG 3.5Å; L389-L393 PolarHBondContact O-N 2.86Å; F390-L393 PolarHBondContact O-N 3.4Å; L393-S397 VanDerWaalsContact O-CB 3.22Å; L393-S397 WeakPolarHBondContact O-CB 3.12Å; L393-S397 PolarHBondContact O-N 2.87Å; L393-S397 PolarHBondContact O-OG 2.99Å; L393-M411 HydrophobicContact CD1-CE 3.46Å; L393-M411 VanDerWaalsContact CD1-CE 3.46Å
394	L	94.2	Very high	91.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-50.6	177	-179.6	55.5	0	0	0	111.1	V142 F390 A391 Q396 S397 V398 V405 L408 W448 L449 V452	V142-L394 HydrophobicContact CG1-CG 4.4Å; V142-L394 HydrophobicContact CG2-CB 4.4Å; V142-L394 HydrophobicContact CG2-CD2 3.96Å; V142-L394 HydrophobicContact CG2-CG 3.91Å; F390-L394 HydrophobicContact CE1-CD2 3.98Å; F390-L394 WeakPolarHBondContact O-CB 3.43Å; F390-L394 PolarHBondContact O-N 3.41Å; A391-L394 PolarHBondContact O-N 3.13Å; L394-Q396 VanDerWaalsContact C-N 3.3Å; L394-Q396 PolarHBondContact O-N 3.36Å; L394-S397 PolarHBondContact O-N 2.82Å; L394-S397 VanDerWaalsContact O-N 3.1Å; L394-V398 WeakPolarHBondContact O-CG2 3.4Å; L394-V398 PolarHBondContact O-N 2.84Å; L394-V398 VanDerWaalsContact O-N 3.14Å; L394-V405 HydrophobicContact CD1-CG1 3.89Å; L394-L408 HydrophobicContact CB-CD1 4.17Å; L394-L408 HydrophobicContact CD1-CD1 3.83Å; L394-W448 HydrophobicContact CD2-CB 4.49Å; L394-W448 HydrophobicContact CD2-CD2 4.04Å; L394-W448 HydrophobicContact CD2-CE3 4.48Å; L394-W448 HydrophobicContact CD2-CG 3.99Å; L394-L449 HydrophobicContact CD1-CD1 3.58Å; L394-V452 HydrophobicContact CD1-CB 4.39Å; L394-V452 HydrophobicContact CD1-CG1 4.17Å; L394-V452 HydrophobicContact CD1-CG2 4.41Å; L394-V452 HydrophobicContact CD2-CG2 4.09Å; L394-V452 HydrophobicContact CG-CG2 4.38Å
395	A	91.1	Very high	90.9	Very high	38 Å²	38	34 Å²	34	31%	0.314	17%	0.171	S	C	.	.	H	α-helix	trans	-57.6	-42.2	177.8	0	0	0	0	0	112.4	V142 A391 Q392 H399	V142-A395 HydrophobicContact CG2-CB 4.32Å; A391-A395 WeakPolarHBondContact O-CB 3.38Å; A391-A395 PolarHBondContact O-N 3.25Å; Q392-A395 PolarHBondContact O-N 3.47Å; A395-H399 PolarHBondContact O-CD2 3.15Å
396	Q	89.4	Confident	90.4	Very high	100 Å²	100	40.4 Å²	40.4	47%	0.467	20%	0.195	S	C	.	.	H	α-helix	trans	-66.7	-42.4	175.4	-70.9	172.9	12.9	0	0	111.7	Q392 L394 V398 H399 H400	Q392-Q396 WeakPolarHBondContact O-CB 3.21Å; Q392-Q396 VanDerWaalsContact O-CG 3.26Å; Q392-Q396 WeakPolarHBondContact O-CG 3.44Å; Q392-Q396 PolarHBondContact O-N 3.38Å; L394-Q396 VanDerWaalsContact C-N 3.3Å; L394-Q396 PolarHBondContact O-N 3.36Å; Q396-V398 VanDerWaalsContact C-N 3.31Å; Q396-V398 PolarHBondContact O-N 3.48Å; Q396-H399 PolarHBondContact O-N 2.71Å; Q396-H400 PolarHBondContact O-CE1 3.31Å; Q396-H400 VanDerWaalsContact O-CE1 3.28Å; Q396-H400 PolarHBondContact O-ND1 3.29Å
397	S	88.7	Confident	90.1	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-28.2	-174	-62.1	0	0	0	0	113.4	L393 L394 H399 H400 V405	L393-S397 VanDerWaalsContact O-CB 3.22Å; L393-S397 WeakPolarHBondContact O-CB 3.12Å; L393-S397 PolarHBondContact O-N 2.87Å; L393-S397 PolarHBondContact O-OG 2.99Å; L394-S397 PolarHBondContact O-N 2.82Å; L394-S397 VanDerWaalsContact O-N 3.1Å; S397-H399 PolarHBondContact O-N 3.02Å; S397-H400 WeakPolarHBondContact O-CA 3.42Å; S397-H400 WeakPolarHBondContact O-CB 3.43Å; S397-H400 PolarHBondContact O-N 3.35Å; S397-V405 VanDerWaalsContact C-CG2 3.5Å; S397-V405 WeakPolarHBondContact O-CG2 3.45Å
398	V	88.1	Confident	90	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-55.3	-39	176.9	168.1	0	0	0	0	112.1	V142 V144 P145 L394 Q396 H400 G401 V405 V452 M456	V142-V398 HydrophobicContact CG1-CG2 3.68Å; V144-V398 HydrophobicContact CG1-CG1 4.38Å; V144-V398 HydrophobicContact CG2-CG1 4.42Å; P145-V398 VanDerWaalsContact CD-CG1 3.41Å; P145-V398 HydrophobicContact CG-CG1 4.39Å; L394-V398 WeakPolarHBondContact O-CG2 3.4Å; L394-V398 PolarHBondContact O-N 2.84Å; L394-V398 VanDerWaalsContact O-N 3.14Å; Q396-V398 VanDerWaalsContact C-N 3.31Å; Q396-V398 PolarHBondContact O-N 3.48Å; V398-H400 PolarHBondContact O-N 3.37Å; V398-G401 PolarHBondContact O-N 3.29Å; V398-V405 HydrophobicContact CG2-CG2 4.27Å; V398-V452 HydrophobicContact CG2-CG1 3.52Å; V398-M456 HydrophobicContact CG1-CE 4.39Å; V398-M456 HydrophobicContact CG1-SD 4.48Å; V398-M456 HydrophobicContact CG2-SD 4.22Å; V398-M456 WeakPolarHBondContact O-CE 3.37Å
399	H	83	Confident	90	Very high	122 Å²	122	40.9 Å²	40.9	57%	0.565	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.3	178.2	-62.6	-70.7	0	0	0	114	A395 Q396 S397	A395-H399 PolarHBondContact O-CD2 3.15Å; Q396-H399 PolarHBondContact O-N 2.71Å; S397-H399 PolarHBondContact O-N 3.02Å
400	H	81.7	Confident	89.9	Confident	39 Å²	39	43.9 Å²	43.9	18%	0.181	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	3.2	-176.5	-60.2	93	0	0	0	113.2	L154 Q396 S397 V398 V404	L154-H400 PolarHBondContact O-CD2 3.09Å; L154-H400 PolarHBondContact O-NE2 2.91Å; Q396-H400 PolarHBondContact O-CE1 3.31Å; Q396-H400 VanDerWaalsContact O-CE1 3.28Å; Q396-H400 PolarHBondContact O-ND1 3.29Å; S397-H400 WeakPolarHBondContact O-CA 3.42Å; S397-H400 WeakPolarHBondContact O-CB 3.43Å; S397-H400 PolarHBondContact O-N 3.35Å; V398-H400 PolarHBondContact O-N 3.37Å; H400-V404 HydrophobicContact CB-CB 4.17Å; H400-V404 HydrophobicContact CB-CG1 4.28Å; H400-V404 HydrophobicContact CB-CG2 3.93Å
401	G	83.1	Confident	89.8	Confident	10 Å²	10	44.3 Å²	44.3	10%	0.103	22%	0.215	C	C	.	.			trans	95.3	172.4	173	0	0	0	0	0	114.8	V398 E403 V404 V405	V398-G401 PolarHBondContact O-N 3.29Å; G401-E403 PolarHBondContact O-N 3.06Å; G401-V404 PolarHBondContact O-N 2.97Å; G401-V405 PolarHBondContact O-N 3.26Å
402	F	86.1	Confident	90	Very high	48 Å²	48	44.1 Å²	44.1	21%	0.211	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-45.4	-169.7	-176.3	-82.7	0	0	0	113.4	V404 V405 Y406 L453 M456 G457 P459	F402-V404 VanDerWaalsContact C-N 3.33Å; F402-V404 PolarHBondContact O-N 3.44Å; F402-V405 PolarHBondContact O-N 2.7Å; F402-Y406 HydrophobicContact CE1-CD2 4.2Å; F402-Y406 HydrophobicContact CE1-CG 4.32Å; F402-Y406 HydrophobicContact CZ-CD2 4.47Å; F402-Y406 WeakPolarHBondContact O-CB 3.36Å; F402-Y406 PolarHBondContact O-N 2.71Å; F402-L453 HydrophobicContact CD2-CD2 3.95Å; F402-L453 HydrophobicContact CE1-CD2 4.44Å; F402-L453 HydrophobicContact CE2-CB 4.42Å; F402-L453 HydrophobicContact CE2-CD2 3.71Å; F402-L453 HydrophobicContact CG-CD2 4.42Å; F402-L453 HydrophobicContact CZ-CD2 3.98Å; F402-M456 HydrophobicContact CD2-CB 4.24Å; F402-G457 VanDerWaalsContact CD2-O 3.23Å; F402-G457 WeakPolarHBondContact CD2-O 3.29Å; F402-G457 WeakPolarHBondContact CE2-O 3.33Å; F402-P459 HydrophobicContact CD1-CB 4.36Å; F402-P459 HydrophobicContact CD1-CG 3.78Å; F402-P459 HydrophobicContact CE1-CG 3.64Å; F402-P459 HydrophobicContact CZ-CG 4.29Å
403	E	86.2	Confident	90.3	Very high	90 Å²	90	40.7 Å²	40.7	42%	0.421	20%	0.199	S	C	.	.	H	α-helix	trans	-62	-39.3	-175.2	-65.3	-176.9	176.5	0	0	112.6	G401 Y406 E407	G401-E403 PolarHBondContact O-N 3.06Å; E403-Y406 PolarHBondContact O-N 3.25Å; E403-E407 WeakPolarHBondContact O-CG 3.27Å; E403-E407 PolarHBondContact O-N 3.48Å
404	V	86.6	Confident	90.5	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-42.7	179.2	-176.9	0	0	0	0	110.5	L157 F160 H400 G401 F402 E407	L157-V404 HydrophobicContact CB-CG2 4.3Å; L157-V404 HydrophobicContact CD1-CG2 3.69Å; L157-V404 HydrophobicContact CG-CG2 4.05Å; F160-V404 HydrophobicContact CD2-CG1 4.38Å; F160-V404 HydrophobicContact CE2-CG1 4.37Å; H400-V404 HydrophobicContact CB-CB 4.17Å; H400-V404 HydrophobicContact CB-CG1 4.28Å; H400-V404 HydrophobicContact CB-CG2 3.93Å; G401-V404 PolarHBondContact O-N 2.97Å; F402-V404 VanDerWaalsContact C-N 3.33Å; F402-V404 PolarHBondContact O-N 3.44Å; V404-E407 PolarHBondContact O-N 3.01Å
405	V	90	Very high	90.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-45.1	175.3	179.9	0	0	0	0	110.1	L394 S397 V398 G401 F402 E407 L408 L449 V452 L453 M456	L394-V405 HydrophobicContact CD1-CG1 3.89Å; S397-V405 VanDerWaalsContact C-CG2 3.5Å; S397-V405 WeakPolarHBondContact O-CG2 3.45Å; V398-V405 HydrophobicContact CG2-CG2 4.27Å; G401-V405 PolarHBondContact O-N 3.26Å; F402-V405 PolarHBondContact O-N 2.7Å; V405-E407 VanDerWaalsContact C-N 3.29Å; V405-E407 PolarHBondContact O-N 2.93Å; V405-L408 VanDerWaalsContact O-CB 3.22Å; V405-L408 WeakPolarHBondContact O-CB 3.38Å; V405-L408 PolarHBondContact O-N 2.89Å; V405-L449 HydrophobicContact CG1-CD1 3.48Å; V405-L449 VanDerWaalsContact CG1-CD1 3.48Å; V405-L449 WeakPolarHBondContact O-CD1 3.45Å; V405-V452 HydrophobicContact CG1-CG1 4.09Å; V405-L453 HydrophobicContact CB-CD2 3.9Å; V405-L453 HydrophobicContact CG1-CD2 3.55Å; V405-L453 HydrophobicContact CG1-CG 3.84Å; V405-M456 HydrophobicContact CB-SD 4.05Å; V405-M456 HydrophobicContact CG1-SD 4.14Å; V405-M456 HydrophobicContact CG2-CE 3.87Å; V405-M456 HydrophobicContact CG2-SD 3.66Å
406	Y	89.6	Confident	91.1	Very high	133 Å²	133	43 Å²	43	52%	0.522	20%	0.199	S	C	.	.	H	α-helix	trans	-59.4	-37.9	178.6	-173.8	-97.4	0	0	0	112.7	F402 E403 L408 T409 L453	F402-Y406 HydrophobicContact CE1-CD2 4.2Å; F402-Y406 HydrophobicContact CE1-CG 4.32Å; F402-Y406 HydrophobicContact CZ-CD2 4.47Å; F402-Y406 WeakPolarHBondContact O-CB 3.36Å; F402-Y406 PolarHBondContact O-N 2.71Å; E403-Y406 PolarHBondContact O-N 3.25Å; Y406-L408 PolarHBondContact O-N 3.2Å; Y406-T409 WeakPolarHBondContact O-CB 3.45Å; Y406-T409 PolarHBondContact O-N 2.88Å; Y406-T409 PolarHBondContact O-OG1 2.86Å; Y406-L453 HydrophobicContact CD2-CD1 4.17Å
407	E	90.6	Very high	91.6	Very high	84 Å²	84	38.3 Å²	38.3	39%	0.393	18%	0.177	S	C	.	.	H	α-helix	trans	-61	-25.7	174.5	-80.9	-69.1	135.6	0	0	113.6	E403 V404 V405 T409 K410	E403-E407 WeakPolarHBondContact O-CG 3.27Å; E403-E407 PolarHBondContact O-N 3.48Å; V404-E407 PolarHBondContact O-N 3.01Å; V405-E407 VanDerWaalsContact C-N 3.29Å; V405-E407 PolarHBondContact O-N 2.93Å; E407-T409 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact O-N 3.15Å; E407-K410 WeakPolarHBondContact O-CB 3.2Å; E407-K410 PolarHBondContact O-N 2.81Å; E407-K410 WeakPolarHBondContact OE1-CE 3.48Å; E407-K410 IonicContact OE1-NZ 3.83Å; E407-K410 PolarHBondContact OE1-NZ 2.87Å; E407-K410 WeakPolarHBondContact OE2-CD 3.32Å; E407-K410 WeakPolarHBondContact OE2-CE 3.4Å; E407-K410 IonicContact OE2-NZ 3.69Å; E407-K410 PolarHBondContact OE2-NZ 2.78Å
408	L	93.4	Very high	92	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-64.3	-14.3	173.6	-62.4	177.6	0	0	0	113	F160 F390 L394 V405 Y406 K410 M411 C412 L449	F160-L408 HydrophobicContact CZ-CD2 4.49Å; F390-L408 HydrophobicContact CE2-CB 4.25Å; L394-L408 HydrophobicContact CB-CD1 4.17Å; L394-L408 HydrophobicContact CD1-CD1 3.83Å; V405-L408 VanDerWaalsContact O-CB 3.22Å; V405-L408 WeakPolarHBondContact O-CB 3.38Å; V405-L408 PolarHBondContact O-N 2.89Å; Y406-L408 PolarHBondContact O-N 3.2Å; L408-K410 PolarHBondContact O-N 2.7Å; L408-M411 HydrophobicContact CD2-CG 3.93Å; L408-M411 WeakPolarHBondContact O-CA 3.43Å; L408-M411 VanDerWaalsContact O-CB 3.24Å; L408-M411 WeakPolarHBondContact O-CB 3.25Å; L408-M411 PolarHBondContact O-N 3.46Å; L408-C412 PolarHBondContact O-SG 3.03Å; L408-L449 HydrophobicContact CB-CD1 3.99Å; L408-L449 HydrophobicContact CB-CD2 4.29Å; L408-L449 HydrophobicContact CD1-CD1 4.4Å
409	T	94.8	Very high	92.5	Very high	46 Å²	46	39.5 Å²	39.5	28%	0.282	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-52.9	-38.9	169.3	-54.2	0	0	0	0	110.4	Y406 E407 M411 C412 L446 L449	Y406-T409 WeakPolarHBondContact O-CB 3.45Å; Y406-T409 PolarHBondContact O-N 2.88Å; Y406-T409 PolarHBondContact O-OG1 2.86Å; E407-T409 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact O-N 3.15Å; T409-M411 PolarHBondContact O-N 3.01Å; T409-C412 WeakPolarHBondContact O-CB 3.37Å; T409-C412 PolarHBondContact O-N 3.45Å; T409-L446 HydrophobicContact CG2-CD2 4.12Å; T409-L449 VanDerWaalsContact N-CD2 3.33Å; T409-L449 WeakPolarHBondContact OG1-CD2 3.39Å
410	K	94.3	Very high	93.2	Very high	87 Å²	87	37.5 Å²	37.5	38%	0.378	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-69.5	-18.7	179.1	-57.3	177.2	-172.8	161.9	0	113.1	R360 E407 L408 C412	R360-K410 WeakPolarHBondContact CD-O 3.34Å; R360-K410 VanDerWaalsContact CZ-CB 3.45Å; E407-K410 WeakPolarHBondContact O-CB 3.2Å; E407-K410 PolarHBondContact O-N 2.81Å; E407-K410 WeakPolarHBondContact OE1-CE 3.48Å; E407-K410 IonicContact OE1-NZ 3.83Å; E407-K410 PolarHBondContact OE1-NZ 2.87Å; E407-K410 WeakPolarHBondContact OE2-CD 3.32Å; E407-K410 WeakPolarHBondContact OE2-CE 3.4Å; E407-K410 IonicContact OE2-NZ 3.69Å; E407-K410 PolarHBondContact OE2-NZ 2.78Å; L408-K410 PolarHBondContact O-N 2.7Å; K410-C412 VanDerWaalsContact C-N 3.31Å
411	M	95.3	Very high	93.9	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.049	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-73.4	-27.5	172.2	-64.2	-79.6	-74.3	0	0	111.7	R360 N361 F385 F390 L393 L408 T409 T413	R360-M411 HydrophobicContact CB-CG 4.4Å; R360-M411 HydrophobicContact CB-SD 3.29Å; R360-M411 WeakPolarHBondContact CB-SD 3.33Å; R360-M411 HydrophobicContact CG-SD 4.49Å; N361-M411 VanDerWaalsContact CA-CE 3.49Å; N361-M411 HydrophobicContact CB-CE 3.92Å; F385-M411 WeakPolarHBondContact CE2-O 3.36Å; F390-M411 HydrophobicContact CD2-CB 4.25Å; F390-M411 HydrophobicContact CE2-CB 4.14Å; L393-M411 HydrophobicContact CD1-CE 3.46Å; L393-M411 VanDerWaalsContact CD1-CE 3.46Å; L408-M411 HydrophobicContact CD2-CG 3.93Å; L408-M411 WeakPolarHBondContact O-CA 3.43Å; L408-M411 VanDerWaalsContact O-CB 3.24Å; L408-M411 WeakPolarHBondContact O-CB 3.25Å; L408-M411 PolarHBondContact O-N 3.46Å; T409-M411 PolarHBondContact O-N 3.01Å; M411-T413 PolarHBondContact O-N 2.69Å
412	C	97.8	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-83	-2.8	-176.6	-50.6	0	0	0	0	113.2	L408 T409 K410 L442 P445 L446	L408-C412 PolarHBondContact O-SG 3.03Å; T409-C412 WeakPolarHBondContact O-CB 3.37Å; T409-C412 PolarHBondContact O-N 3.45Å; K410-C412 VanDerWaalsContact C-N 3.31Å; C412-L442 PolarHBondContact O-N 2.64Å; C412-P445 HydrophobicContact CB-CB 4.28Å; C412-L446 HydrophobicContact CB-CD1 4.44Å; C412-L446 HydrophobicContact CB-CD2 3.57Å; C412-L446 HydrophobicContact CB-CG 3.59Å
413	T	98.3	Very high	95	Very high	26 Å²	26	33.3 Å²	33.3	16%	0.16	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.9	176.9	-57.7	0	0	0	0	110.1	M411 E439 I440 H441	M411-T413 PolarHBondContact O-N 2.69Å; T413-E439 HydrophobicContact CG2-CG 3.41Å; T413-E439 VanDerWaalsContact CG2-CG 3.41Å; T413-I440 CarbonylContact C-O 3.43Å; T413-I440 WeakPolarHBondContact CA-O 3.38Å; T413-H441 PolarHBondContact OG1-CD2 2.76Å; T413-H441 VanDerWaalsContact OG1-CD2 3.25Å; T413-H441 PolarHBondContact OG1-NE2 2.99Å
414	I	98.8	Very high	94.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.1	175.2	-59.5	172.2	0	0	0	108.2	V357 V384 F385 I440 L442	V357-I414 HydrophobicContact CG1-CG2 3.73Å; V384-I414 HydrophobicContact CB-CD1 4.19Å; V384-I414 HydrophobicContact CG2-CD1 3.9Å; F385-I414 HydrophobicContact CB-CD1 4.22Å; F385-I414 HydrophobicContact CD2-CD1 4.47Å; I414-I440 HydrophobicContact CB-CB 4.27Å; I414-I440 HydrophobicContact CB-CD1 4.43Å; I414-I440 HydrophobicContact CG2-CD1 4.32Å; I414-I440 PolarHBondContact N-O 3.02Å; I414-I440 PolarHBondContact O-N 3.09Å; I414-L442 HydrophobicContact CD1-CD1 4.09Å
415	R	98.8	Very high	94.8	Very high	91 Å²	91	35.5 Å²	35.5	34%	0.343	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.6	176.9	-66.9	176.8	171.2	172.2	-0.1	110	V357 Q358 W422 W437 E439	V357-R415 WeakPolarHBondContact CA-O 3.2Å; Q358-R415 PolarHBondContact N-O 2.76Å; Q358-R415 PolarHBondContact O-N 3.03Å; R415-W422 HydrophobicContact CB-CZ2 4.45Å; R415-W437 HydrophobicContact CG-CZ3 4.18Å; R415-E439 HydrophobicContact CG-CG 4.26Å; R415-E439 IonicContact CZ-OE1 3.42Å; R415-E439 IonicContact NE-OE1 2.88Å; R415-E439 PolarHBondContact NE-OE1 2.75Å; R415-E439 IonicContact NH2-OE1 3.99Å; R415-E439 PolarHBondContact NH2-OE1 2.86Å
416	M	98.8	Very high	94.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.2	-178.6	178.5	-172.6	-58.4	0	0	111.7	V336 L338 A347 I355 F356 V357 W437 I438 I440	V336-M416 HydrophobicContact CB-SD 3.98Å; V336-M416 HydrophobicContact CG1-SD 3.78Å; V336-M416 HydrophobicContact CG2-CE 3.96Å; V336-M416 HydrophobicContact CG2-SD 3.81Å; L338-M416 HydrophobicContact CD2-CE 4.08Å; A347-M416 HydrophobicContact CB-CE 3.66Å; I355-M416 HydrophobicContact CB-CG 4.27Å; I355-M416 HydrophobicContact CB-SD 4.31Å; I355-M416 HydrophobicContact CD1-CE 4.21Å; I355-M416 HydrophobicContact CD1-SD 3.83Å; I355-M416 HydrophobicContact CG1-SD 4.49Å; F356-M416 CarbonylContact O-C 3.58Å; F356-M416 WeakPolarHBondContact O-CA 3.37Å; V357-M416 HydrophobicContact CG2-CB 4.27Å; V357-M416 HydrophobicContact CG2-CE 3.59Å; V357-M416 HydrophobicContact CG2-CG 3.88Å; V357-M416 HydrophobicContact CG2-SD 4.35Å; M416-W437 CarbonylContact O-C 3.45Å; M416-W437 WeakPolarHBondContact O-CA 3.17Å; M416-W437 VanDerWaalsContact O-CB 3.22Å; M416-W437 WeakPolarHBondContact O-CB 3.23Å; M416-I438 HydrophobicContact CB-CD1 4.35Å; M416-I438 HydrophobicContact CB-CG1 3.87Å; M416-I438 HydrophobicContact CG-CG1 4.49Å; M416-I438 PolarHBondContact N-O 2.97Å; M416-I438 PolarHBondContact O-N 3.23Å; M416-I438 HydrophobicContact SD-CD1 4.16Å; M416-I440 HydrophobicContact CE-CD1 4.39Å
417	S	98.8	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.4	174.1	-167	0	0	0	0	111.6	I355 F356 K420 T434 C436	I355-S417 WeakPolarHBondContact CA-O 3.49Å; F356-S417 PolarHBondContact N-O 2.75Å; F356-S417 PolarHBondContact O-N 3.19Å; S417-K420 WeakPolarHBondContact CB-O 3.28Å; S417-K420 PolarHBondContact OG-O 2.95Å; S417-K420 VanDerWaalsContact OG-O 3.05Å; S417-T434 WeakPolarHBondContact OG-CB 3.22Å; S417-T434 WeakPolarHBondContact OG-CG2 3.47Å; S417-T434 PolarHBondContact OG-OG1 2.88Å; S417-C436 PolarHBondContact OG-O 2.9Å; S417-C436 VanDerWaalsContact OG-O 3.09Å
418	F	98.8	Very high	95.1	Very high	2 Å²	2	40 Å²	40	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.6	175.6	-61	-82.8	0	0	0	110.4	I298 L313 I332 V336 I355 K420 C436 I438	I298-F418 HydrophobicContact CG2-CZ 4.12Å; L313-F418 HydrophobicContact CD1-CD2 4.4Å; L313-F418 HydrophobicContact CD1-CE2 3.67Å; L313-F418 HydrophobicContact CD1-CZ 3.97Å; I332-F418 HydrophobicContact CD1-CB 4.39Å; I332-F418 HydrophobicContact CD1-CD2 4.24Å; I332-F418 HydrophobicContact CD1-CG 4.27Å; I332-F418 HydrophobicContact CG1-CB 3.89Å; I332-F418 HydrophobicContact CG1-CD1 4.43Å; I332-F418 HydrophobicContact CG1-CG 4.05Å; I332-F418 HydrophobicContact CG2-CD1 3.96Å; I332-F418 HydrophobicContact CG2-CE1 4.14Å; I332-F418 HydrophobicContact CG2-CG 4.35Å; V336-F418 HydrophobicContact CB-CE1 4.32Å; V336-F418 HydrophobicContact CG1-CE1 3.86Å; V336-F418 HydrophobicContact CG1-CZ 4.06Å; I355-F418 HydrophobicContact CG2-CD1 3.89Å; I355-F418 HydrophobicContact CG2-CE1 4.36Å; F418-K420 PolarHBondContact O-N 3.45Å; F418-C436 HydrophobicContact CB-CB 4.47Å; F418-C436 HydrophobicContact CD2-CB 4.35Å; F418-C436 PolarHBondContact N-O 2.98Å; F418-I438 HydrophobicContact CE2-CD1 4.48Å; F418-I438 HydrophobicContact CE2-CG1 4.26Å; F418-I438 HydrophobicContact CE2-CG2 3.95Å; F418-I438 HydrophobicContact CZ-CD1 4.16Å; F418-I438 HydrophobicContact CZ-CG1 4.41Å; F418-I438 HydrophobicContact CZ-CG2 4.46Å
419	V	98.4	Very high	95.1	Very high	28 Å²	28	43.6 Å²	43.6	17%	0.17	21%	0.206	C	C	.	.	S	Bend	trans	67.8	-38.7	170.7	-168.4	0	0	0	0	114.7	T328 H331 S354	T328-V419 HydrophobicContact CG2-CB 3.96Å; T328-V419 HydrophobicContact CG2-CG2 3.99Å; H331-V419 HydrophobicContact CB-CG1 4.16Å; H331-V419 HydrophobicContact CB-CG2 3.69Å; S354-V419 WeakPolarHBondContact O-CA 3.17Å; S354-V419 PolarHBondContact O-N 2.86Å
420	K	97.9	Very high	95.2	Very high	81 Å²	81	46.3 Å²	46.3	35%	0.352	22%	0.219	S	C	.	.			trans	-114.5	124.9	-175	-56.6	-56.6	-178.9	-173.9	0	110.7	F356 S417 F418 P435	F356-K420 VanDerWaalsContact CD2-C 3.43Å; F356-K420 WeakPolarHBondContact CD2-O 3.49Å; F356-K420 VanDerWaalsContact CE2-C 3.46Å; S417-K420 WeakPolarHBondContact CB-O 3.28Å; S417-K420 PolarHBondContact OG-O 2.95Å; S417-K420 VanDerWaalsContact OG-O 3.05Å; F418-K420 PolarHBondContact O-N 3.45Å; K420-P435 HydrophobicContact CG-CG 4.08Å
421	G	96.4	Very high	95.3	Very high	4 Å²	4	42.5 Å²	42.5	4%	0.041	20%	0.203	C	C	.	.			trans	-78.7	161.2	173.6	0	0	0	0	0	113.1	F356	F356-G421 VanDerWaalsContact CE2-N 3.31Å; F356-G421 VanDerWaalsContact CG-CA 3.46Å
422	W	97.4	Very high	95.4	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.019	22%	0.218	C	C	.	.			trans	-139.1	162.2	168.8	79.5	99.1	0	0	0	109.5	F356 Q358 V373 R415 Y426 R428 V431 T434	F356-W422 HydrophobicContact CB-CE3 4.01Å; F356-W422 HydrophobicContact CB-CH2 4.48Å; F356-W422 HydrophobicContact CB-CZ3 3.57Å; F356-W422 WeakPolarHBondContact O-CH2 3.49Å; F356-W422 WeakPolarHBondContact O-CZ3 3.28Å; Q358-W422 HydrophobicContact CB-CH2 4.24Å; Q358-W422 HydrophobicContact CB-CZ2 3.64Å; V373-W422 WeakPolarHBondContact CB-O 3.29Å; V373-W422 HydrophobicContact CG1-CD2 4.14Å; V373-W422 HydrophobicContact CG1-CE3 3.99Å; V373-W422 HydrophobicContact CG1-CH2 3.94Å; V373-W422 HydrophobicContact CG1-CZ2 4.09Å; V373-W422 HydrophobicContact CG1-CZ3 3.89Å; V373-W422 HydrophobicContact CG2-CD2 3.97Å; V373-W422 VanDerWaalsContact CG2-CE2 3.47Å; V373-W422 HydrophobicContact CG2-CG 4.28Å; V373-W422 HydrophobicContact CG2-CH2 4.49Å; V373-W422 HydrophobicContact CG2-CZ2 3.79Å; V373-W422 VanDerWaalsContact CG2-O 3.29Å; V373-W422 WeakPolarHBondContact CG2-O 3.47Å; R415-W422 HydrophobicContact CB-CZ2 4.45Å; W422-Y426 VanDerWaalsContact C-CD2 3.41Å; W422-Y426 WeakPolarHBondContact O-CD2 3.17Å; W422-R428 CarbonylContact C-O 3.53Å; W422-R428 WeakPolarHBondContact CA-O 3.47Å; W422-R428 HydrophobicContact CB-CB 3.93Å; W422-R428 WeakPolarHBondContact CB-O 3.33Å; W422-V431 HydrophobicContact CD2-CB 4.19Å; W422-V431 HydrophobicContact CD2-CG2 4.16Å; W422-V431 HydrophobicContact CE3-CG2 4.32Å; W422-V431 HydrophobicContact CG-CB 4.43Å; W422-V431 HydrophobicContact CH2-CG2 4.14Å; W422-V431 HydrophobicContact CZ2-CB 4.21Å; W422-V431 HydrophobicContact CZ2-CG2 3.96Å; W422-V431 HydrophobicContact CZ3-CG2 4.31Å; W422-T434 HydrophobicContact CB-CG2 3.79Å; W422-T434 HydrophobicContact CD2-CG2 4.3Å; W422-T434 HydrophobicContact CE3-CG2 4Å; W422-T434 HydrophobicContact CG-CG2 4.25Å
423	G	93.3	Very high	95.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	117.3	-173	-176	0	0	0	0	0	112.8	E425 Y426 R428 Q429	G423-E425 PolarHBondContact O-N 2.78Å; G423-Y426 PolarHBondContact O-N 3.25Å; G423-R428 PolarHBondContact N-O 3.28Å; G423-Q429 PolarHBondContact O-NE2 3.08Å
424	A	83.7	Confident	95.4	Very high	38 Å²	38	46.1 Å²	46.1	31%	0.314	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.8	-168.9	0	0	0	0	0	114.8	M171 P172	M171-A424 HydrophobicContact CB-CB 3.67Å; P172-A424 WeakPolarHBondContact O-CB 3.46Å
425	E	85.7	Confident	95.4	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.6	-176.2	-60.3	165.5	-161	0	0	113.6	N174 G423	N174-E425 HydrophobicContact CB-CG 4.46Å; N174-E425 PolarHBondContact N-OE1 3.08Å; N174-E425 VanDerWaalsContact N-OE1 3.08Å; N174-E425 PolarHBondContact ND2-N 2.76Å; G423-E425 PolarHBondContact O-N 2.78Å
426	Y	90.4	Very high	95.4	Very high	59 Å²	59	41.9 Å²	41.9	23%	0.231	21%	0.212	C	C	.	.	S	Bend	trans	-117.7	151.1	-179.8	-61.8	-69.9	0	0	0	110.8	N174 F356 W422 G423 R428 Q429	N174-Y426 HydrophobicContact CB-CE2 4.47Å; N174-Y426 WeakPolarHBondContact ND2-CD2 3.22Å; N174-Y426 WeakPolarHBondContact ND2-CE2 3.39Å; F356-Y426 HydrophobicContact CD1-CE2 4.24Å; F356-Y426 HydrophobicContact CE1-CE1 4.26Å; F356-Y426 HydrophobicContact CE1-CE2 4.23Å; F356-Y426 AromaticContact CE1-CZ 3.65Å; F356-Y426 VanDerWaalsContact CE1-OH 3.27Å; F356-Y426 WeakPolarHBondContact CE1-OH 3.45Å; W422-Y426 VanDerWaalsContact C-CD2 3.41Å; W422-Y426 WeakPolarHBondContact O-CD2 3.17Å; G423-Y426 PolarHBondContact O-N 3.25Å; Y426-R428 PolarHBondContact O-N 2.99Å; Y426-R428 VanDerWaalsContact O-N 3.08Å; Y426-Q429 PolarHBondContact O-NE2 3.47Å
427	H	91.3	Very high	95.4	Very high	185 Å²	185	42.2 Å²	42.2	86%	0.856	21%	0.214	S	C	*	.	S	Bend	trans	-57.1	-27.5	172.9	-177.7	65.3	0	0	0	113
428	R	95.2	Very high	95.4	Very high	66 Å²	66	42.2 Å²	42.2	25%	0.249	21%	0.214	C	C	.	.			trans	-88.2	119	177	-64.7	170.2	-174.3	75	10.3	109	W422 G423 Y426 S433	W422-R428 CarbonylContact C-O 3.53Å; W422-R428 WeakPolarHBondContact CA-O 3.47Å; W422-R428 HydrophobicContact CB-CB 3.93Å; W422-R428 WeakPolarHBondContact CB-O 3.33Å; G423-R428 PolarHBondContact N-O 3.28Å; Y426-R428 PolarHBondContact O-N 2.99Å; Y426-R428 VanDerWaalsContact O-N 3.08Å; R428-S433 WeakPolarHBondContact CD-O 3.17Å; R428-S433 PolarHBondContact NE-O 2.7Å
429	Q	93.9	Very high	95.4	Very high	80 Å²	80	43.3 Å²	43.3	37%	0.374	22%	0.219	S	C	.	.			trans	-89.3	-32.3	178	-58.7	-62.7	-76.4	0	0	111.4	M171 G423 Y426	M171-Q429 WeakPolarHBondContact CE-O 3.5Å; M171-Q429 HydrophobicContact SD-CB 3.71Å; M171-Q429 VanDerWaalsContact SD-CD 3.56Å; M171-Q429 HydrophobicContact SD-CG 4.18Å; M171-Q429 PolarHBondContact SD-OE1 3.27Å; G423-Q429 PolarHBondContact O-NE2 3.08Å; Y426-Q429 PolarHBondContact O-NE2 3.47Å
430	D	95.1	Very high	95.5	Very high	102 Å²	102	42.1 Å²	42.1	55%	0.545	21%	0.211	S	C	.	.	S	Bend	trans	-108.2	147.4	178.8	-66.7	-70.8	0	0	0	113.4	T432 S433	D430-T432 PolarHBondContact O-N 2.88Å; D430-S433 VanDerWaalsContact O-CB 3.28Å; D430-S433 WeakPolarHBondContact O-CB 3.28Å; D430-S433 PolarHBondContact O-N 2.78Å
431	V	97.4	Very high	95.5	Very high	8 Å²	8	40.7 Å²	40.7	5%	0.048	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-59.5	-32	175.1	73.3	0	0	0	0	112	W422 S433 T434 W437	W422-V431 HydrophobicContact CD2-CB 4.19Å; W422-V431 HydrophobicContact CD2-CG2 4.16Å; W422-V431 HydrophobicContact CE3-CG2 4.32Å; W422-V431 HydrophobicContact CG-CB 4.43Å; W422-V431 HydrophobicContact CH2-CG2 4.14Å; W422-V431 HydrophobicContact CZ2-CB 4.21Å; W422-V431 HydrophobicContact CZ2-CG2 3.96Å; W422-V431 HydrophobicContact CZ3-CG2 4.31Å; V431-S433 PolarHBondContact O-N 3.03Å; V431-T434 VanDerWaalsContact O-CB 3.29Å; V431-T434 WeakPolarHBondContact O-CB 3.39Å; V431-T434 WeakPolarHBondContact O-CG2 3.49Å; V431-T434 PolarHBondContact O-N 3.38Å; V431-T434 PolarHBondContact O-OG1 3.48Å; V431-W437 HydrophobicContact CG1-CD2 4.32Å; V431-W437 HydrophobicContact CG1-CE3 4.26Å; V431-W437 HydrophobicContact CG1-CH2 4.08Å; V431-W437 HydrophobicContact CG1-CZ2 4.12Å; V431-W437 HydrophobicContact CG1-CZ3 4.13Å; V431-W437 HydrophobicContact CG2-CB 4.08Å; V431-W437 HydrophobicContact CG2-CD2 3.58Å; V431-W437 HydrophobicContact CG2-CE3 3.66Å; V431-W437 HydrophobicContact CG2-CG 3.78Å; V431-W437 HydrophobicContact CG2-CZ3 4.33Å
432	T	97.9	Very high	95.6	Very high	58 Å²	58	40.7 Å²	40.7	36%	0.356	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-69	-11.7	177.5	54.5	0	0	0	0	113	L281 N282 D430 T434 W437	L281-T432 CarbonylContact C-O 3.15Å; L281-T432 WeakPolarHBondContact CA-O 3.35Å; L281-T432 WeakPolarHBondContact CB-O 3.1Å; N282-T432 HydrophobicContact CB-CG2 4.37Å; D430-T432 PolarHBondContact O-N 2.88Å; T432-T434 VanDerWaalsContact C-N 3.33Å; T432-W437 HydrophobicContact CG2-CZ2 4.18Å
433	S	97.9	Very high	95.6	Very high	53 Å²	53	42.4 Å²	42.4	37%	0.371	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-87	-6.7	169.7	-59.1	0	0	0	0	112.5	R428 D430 V431	R428-S433 WeakPolarHBondContact CD-O 3.17Å; R428-S433 PolarHBondContact NE-O 2.7Å; D430-S433 VanDerWaalsContact O-CB 3.28Å; D430-S433 WeakPolarHBondContact O-CB 3.28Å; D430-S433 PolarHBondContact O-N 2.78Å; V431-S433 PolarHBondContact O-N 3.03Å
434	T	98.4	Very high	95.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-83.3	139.7	176.7	74.9	0	0	0	0	110.9	L281 S417 W422 V431 T432 C436 W437	L281-T434 WeakPolarHBondContact CA-O 3.34Å; L281-T434 PolarHBondContact N-O 2.85Å; S417-T434 WeakPolarHBondContact OG-CB 3.22Å; S417-T434 WeakPolarHBondContact OG-CG2 3.47Å; S417-T434 PolarHBondContact OG-OG1 2.88Å; W422-T434 HydrophobicContact CB-CG2 3.79Å; W422-T434 HydrophobicContact CD2-CG2 4.3Å; W422-T434 HydrophobicContact CE3-CG2 4Å; W422-T434 HydrophobicContact CG-CG2 4.25Å; V431-T434 VanDerWaalsContact O-CB 3.29Å; V431-T434 WeakPolarHBondContact O-CB 3.39Å; V431-T434 WeakPolarHBondContact O-CG2 3.49Å; V431-T434 PolarHBondContact O-N 3.38Å; V431-T434 PolarHBondContact O-OG1 3.48Å; T432-T434 VanDerWaalsContact C-N 3.33Å; T434-C436 VanDerWaalsContact C-N 3.33Å; T434-C436 PolarHBondContact O-N 2.83Å; T434-W437 WeakPolarHBondContact OG1-CB 3.39Å; T434-W437 VanDerWaalsContact OG1-CD1 3.25Å
435	P	98.5	Very high	96.4	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.019	20%	0.2	C	C	.	.	S	Bend	trans	-67.8	-32.2	-172.3	-20.4	33.4	0	0	0	113.8	E280 T324 I325 T328 K420	E280-P435 VanDerWaalsContact CA-O 3.29Å; E280-P435 WeakPolarHBondContact CA-O 3.4Å; T324-P435 HydrophobicContact CG2-CB 4.41Å; T324-P435 HydrophobicContact CG2-CG 3.83Å; I325-P435 HydrophobicContact CB-CB 4.39Å; I325-P435 HydrophobicContact CG1-CB 3.88Å; T328-P435 HydrophobicContact CG2-CB 4.1Å; T328-P435 HydrophobicContact CG2-CG 4.43Å; K420-P435 HydrophobicContact CG-CG 4.08Å
436	C	98.8	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-144.1	118.4	-176.5	-59.8	0	0	0	0	109.4	Y278 T328 R329 I332 S417 F418 T434	Y278-C436 HydrophobicContact CE2-CB 4.04Å; Y278-C436 PolarHBondContact OH-SG 3.17Å; Y278-C436 VanDerWaalsContact OH-SG 3.38Å; T328-C436 HydrophobicContact CG2-CB 3.97Å; R329-C436 VanDerWaalsContact CG-SG 3.52Å; I332-C436 HydrophobicContact CD1-CB 4.2Å; S417-C436 PolarHBondContact OG-O 2.9Å; S417-C436 VanDerWaalsContact OG-O 3.09Å; F418-C436 HydrophobicContact CB-CB 4.47Å; F418-C436 HydrophobicContact CD2-CB 4.35Å; F418-C436 PolarHBondContact N-O 2.98Å; T434-C436 VanDerWaalsContact C-N 3.33Å; T434-C436 PolarHBondContact O-N 2.83Å
437	W	98.9	Very high	97.2	Very high	8 Å²	8	38.4 Å²	38.4	3%	0.03	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.1	177.1	64.9	-78.9	0	0	0	111.6	Y278 Y279 L281 R415 M416 V431 T432 T434 E439	Y278-W437 VanDerWaalsContact CD2-O 3.28Å; Y278-W437 WeakPolarHBondContact CD2-O 3.46Å; Y279-W437 VanDerWaalsContact CB-NE1 3.31Å; Y279-W437 HydrophobicContact CD1-CH2 4.23Å; Y279-W437 AromaticContact CD1-CZ2 3.79Å; Y279-W437 HydrophobicContact CD1-CZ2 3.79Å; Y279-W437 HydrophobicContact CD2-CD2 4.38Å; Y279-W437 HydrophobicContact CD2-CE3 4.29Å; Y279-W437 AromaticContact CD2-CH2 3.78Å; Y279-W437 HydrophobicContact CD2-CH2 3.78Å; Y279-W437 AromaticContact CD2-CZ2 3.88Å; Y279-W437 HydrophobicContact CD2-CZ2 3.88Å; Y279-W437 HydrophobicContact CD2-CZ3 4.02Å; Y279-W437 HydrophobicContact CE1-CZ2 4.44Å; Y279-W437 HydrophobicContact CE2-CH2 4.11Å; Y279-W437 HydrophobicContact CE2-CZ3 4.41Å; Y279-W437 HydrophobicContact CG-CD2 4.32Å; Y279-W437 AromaticContact CG-CE2 3.74Å; Y279-W437 AromaticContact CG-CH2 3.87Å; Y279-W437 HydrophobicContact CG-CH2 3.87Å; Y279-W437 AromaticContact CG-CZ2 3.48Å; Y279-W437 HydrophobicContact CG-CZ2 3.48Å; Y279-W437 VanDerWaalsContact CG-CZ2 3.48Å; Y279-W437 HydrophobicContact CG-CZ3 4.45Å; Y279-W437 PolarHBondContact N-O 2.98Å; Y279-W437 PolarHBondContact O-N 3.46Å; L281-W437 PolarHBondContact O-NE1 2.85Å; R415-W437 HydrophobicContact CG-CZ3 4.18Å; M416-W437 CarbonylContact O-C 3.45Å; M416-W437 WeakPolarHBondContact O-CA 3.17Å; M416-W437 VanDerWaalsContact O-CB 3.22Å; M416-W437 WeakPolarHBondContact O-CB 3.23Å; V431-W437 HydrophobicContact CG1-CD2 4.32Å; V431-W437 HydrophobicContact CG1-CE3 4.26Å; V431-W437 HydrophobicContact CG1-CH2 4.08Å; V431-W437 HydrophobicContact CG1-CZ2 4.12Å; V431-W437 HydrophobicContact CG1-CZ3 4.13Å; V431-W437 HydrophobicContact CG2-CB 4.08Å; V431-W437 HydrophobicContact CG2-CD2 3.58Å; V431-W437 HydrophobicContact CG2-CE3 3.66Å; V431-W437 HydrophobicContact CG2-CG 3.78Å; V431-W437 HydrophobicContact CG2-CZ3 4.33Å; T432-W437 HydrophobicContact CG2-CZ2 4.18Å; T434-W437 WeakPolarHBondContact OG1-CB 3.39Å; T434-W437 VanDerWaalsContact OG1-CD1 3.25Å; W437-E439 HydrophobicContact CZ3-CB 3.9Å
438	I	98.9	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.1	177.2	55.4	172.4	0	0	0	110.7	V276 A277 Y278 I298 V336 M416 F418 I440	V276-I438 HydrophobicContact CG1-CB 3.78Å; V276-I438 HydrophobicContact CG1-CD1 3.97Å; V276-I438 HydrophobicContact CG1-CG1 4.41Å; V276-I438 HydrophobicContact CG1-CG2 3.93Å; A277-I438 CarbonylContact O-C 3.53Å; A277-I438 WeakPolarHBondContact O-CA 3.42Å; Y278-I438 HydrophobicContact CD2-CG2 3.95Å; I298-I438 HydrophobicContact CD1-CD1 3.64Å; V336-I438 HydrophobicContact CG1-CD1 4.43Å; M416-I438 HydrophobicContact CB-CD1 4.35Å; M416-I438 HydrophobicContact CB-CG1 3.87Å; M416-I438 HydrophobicContact CG-CG1 4.49Å; M416-I438 PolarHBondContact N-O 2.97Å; M416-I438 PolarHBondContact O-N 3.23Å; M416-I438 HydrophobicContact SD-CD1 4.16Å; F418-I438 HydrophobicContact CE2-CD1 4.48Å; F418-I438 HydrophobicContact CE2-CG1 4.26Å; F418-I438 HydrophobicContact CE2-CG2 3.95Å; F418-I438 HydrophobicContact CZ-CD1 4.16Å; F418-I438 HydrophobicContact CZ-CG1 4.41Å; F418-I438 HydrophobicContact CZ-CG2 4.46Å; I438-I440 HydrophobicContact CD1-CD1 4.06Å; I438-I440 HydrophobicContact CD1-CG1 4.14Å; I438-I440 HydrophobicContact CG1-CG1 4.48Å
439	E	98.8	Very high	97.4	Very high	24 Å²	24	26.8 Å²	26.8	11%	0.112	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.6	168.5	-165	165.9	-112.9	0	0	109	V276 A277 Y279 T413 R415 W437 H441	V276-E439 WeakPolarHBondContact CA-O 3.41Å; A277-E439 PolarHBondContact N-O 3.2Å; A277-E439 PolarHBondContact O-N 2.89Å; Y279-E439 HydrophobicContact CE2-CB 4.04Å; T413-E439 HydrophobicContact CG2-CG 3.41Å; T413-E439 VanDerWaalsContact CG2-CG 3.41Å; R415-E439 HydrophobicContact CG-CG 4.26Å; R415-E439 IonicContact CZ-OE1 3.42Å; R415-E439 IonicContact NE-OE1 2.88Å; R415-E439 PolarHBondContact NE-OE1 2.75Å; R415-E439 IonicContact NH2-OE1 3.99Å; R415-E439 PolarHBondContact NH2-OE1 2.86Å; W437-E439 HydrophobicContact CZ3-CB 3.9Å; E439-H441 IonicContact OE2-CE1 3.38Å; E439-H441 PolarHBondContact OE2-CE1 3.31Å; E439-H441 IonicContact OE2-NE2 3.53Å
440	I	98.8	Very high	97.4	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.2	-175.9	-55.2	158.3	0	0	0	107.7	C274 S275 V276 L338 T413 I414 M416 I438 L442	C274-I440 HydrophobicContact CB-CG2 4.04Å; S275-I440 CarbonylContact O-C 3.6Å; S275-I440 WeakPolarHBondContact O-CA 3.29Å; V276-I440 HydrophobicContact CG1-CG1 4.28Å; V276-I440 HydrophobicContact CG2-CG1 4.22Å; V276-I440 HydrophobicContact CG2-CG2 4.45Å; L338-I440 HydrophobicContact CD1-CD1 3.67Å; L338-I440 HydrophobicContact CD1-CG1 4.24Å; L338-I440 HydrophobicContact CD2-CD1 4.4Å; T413-I440 CarbonylContact C-O 3.43Å; T413-I440 WeakPolarHBondContact CA-O 3.38Å; I414-I440 HydrophobicContact CB-CB 4.27Å; I414-I440 HydrophobicContact CB-CD1 4.43Å; I414-I440 HydrophobicContact CG2-CD1 4.32Å; I414-I440 PolarHBondContact N-O 3.02Å; I414-I440 PolarHBondContact O-N 3.09Å; M416-I440 HydrophobicContact CE-CD1 4.39Å; I438-I440 HydrophobicContact CD1-CD1 4.06Å; I438-I440 HydrophobicContact CD1-CG1 4.14Å; I438-I440 HydrophobicContact CG1-CG1 4.48Å; I440-L442 HydrophobicContact CG2-CD2 4.16Å
441	H	98.6	Very high	97.3	Very high	52 Å²	52	25.3 Å²	25.3	24%	0.241	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.5	174.9	-67	101.1	0	0	0	110	C274 S275 T413 E439 H443 L446	C274-H441 CarbonylContact C-O 3.58Å; C274-H441 WeakPolarHBondContact CA-O 3.21Å; C274-H441 WeakPolarHBondContact CB-O 3.37Å; S275-H441 PolarHBondContact N-O 2.73Å; S275-H441 PolarHBondContact O-N 2.91Å; T413-H441 PolarHBondContact OG1-CD2 2.76Å; T413-H441 VanDerWaalsContact OG1-CD2 3.25Å; T413-H441 PolarHBondContact OG1-NE2 2.99Å; E439-H441 IonicContact OE2-CE1 3.38Å; E439-H441 PolarHBondContact OE2-CE1 3.31Å; E439-H441 IonicContact OE2-NE2 3.53Å; H441-H443 PolarHBondContact O-CD2 3.24Å; H441-L446 HydrophobicContact CB-CD1 4.06Å
442	L	98.4	Very high	97	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111	179.6	-58.4	179.8	0	0	0	110.3	W273 C274 V345 F385 C412 I414 I440 P445 L446	W273-L442 HydrophobicContact CE3-CD2 4.16Å; W273-L442 HydrophobicContact CZ3-CD2 3.88Å; C274-L442 HydrophobicContact CB-CD2 3.97Å; V345-L442 HydrophobicContact CG2-CD1 4.43Å; V345-L442 HydrophobicContact CG2-CD2 4.11Å; F385-L442 HydrophobicContact CB-CD1 3.82Å; F385-L442 HydrophobicContact CD1-CD1 3.71Å; F385-L442 HydrophobicContact CD2-CD1 3.31Å; F385-L442 HydrophobicContact CE1-CD1 4.06Å; F385-L442 HydrophobicContact CE2-CD1 3.68Å; F385-L442 HydrophobicContact CG-CD1 3.32Å; F385-L442 HydrophobicContact CZ-CD1 4.03Å; C412-L442 PolarHBondContact O-N 2.64Å; I414-L442 HydrophobicContact CD1-CD1 4.09Å; I440-L442 HydrophobicContact CG2-CD2 4.16Å; L442-P445 HydrophobicContact CB-CB 4.48Å; L442-P445 HydrophobicContact CB-CG 3.92Å; L442-P445 HydrophobicContact CD1-CG 4.47Å; L442-L446 WeakPolarHBondContact O-CB 3.47Å; L442-L446 WeakPolarHBondContact O-CD1 3.29Å; L442-L446 VanDerWaalsContact O-CG 3.25Å; L442-L446 WeakPolarHBondContact O-CG 3.08Å; L442-L446 PolarHBondContact O-N 3.33Å
443	H	97.9	Very high	96.7	Very high	42 Å²	42	23.2 Å²	23.2	19%	0.194	12%	0.119	C	C	.	.	H	α-helix	trans	-72.3	-37.1	-169.5	-66.9	-179.3	0	0	0	112.8	P270 H272 W273 S275 Q290 H441 L446 Q447	P270-H443 HydrophobicContact CB-CB 4.19Å; P270-H443 HydrophobicContact CG-CB 3.76Å; H272-H443 VanDerWaalsContact O-CB 3.31Å; H272-H443 WeakPolarHBondContact O-CB 3.49Å; H272-H443 PolarHBondContact O-ND1 3.04Å; H272-H443 VanDerWaalsContact O-ND1 3.12Å; W273-H443 PolarHBondContact O-N 3.23Å; S275-H443 VanDerWaalsContact CB-NE2 3.34Å; S275-H443 WeakPolarHBondContact CB-NE2 3.24Å; S275-H443 PolarHBondContact N-NE2 3.15Å; S275-H443 PolarHBondContact OG-NE2 2.92Å; S275-H443 VanDerWaalsContact OG-NE2 3.09Å; Q290-H443 PolarHBondContact OE1-CE1 3.38Å; Q290-H443 VanDerWaalsContact OE1-CE1 3.31Å; H441-H443 PolarHBondContact O-CD2 3.24Å; H443-L446 PolarHBondContact O-N 2.94Å; H443-Q447 VanDerWaalsContact O-CB 3.27Å; H443-Q447 WeakPolarHBondContact O-CB 3.3Å; H443-Q447 PolarHBondContact O-N 3.2Å
444	G	96.3	Very high	96.3	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-55.5	179.7	0	0	0	0	0	111.9	L446 Q447 W448	G444-L446 VanDerWaalsContact C-N 3.33Å; G444-L446 PolarHBondContact O-N 3.19Å; G444-Q447 PolarHBondContact O-N 2.71Å; G444-W448 PolarHBondContact O-N 3.37Å
445	P	96.9	Very high	95.7	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-54.7	-43.6	172.6	-29.6	37.6	0	0	0	113.9	F385 F390 C412 L442 W448 L449	F385-P445 HydrophobicContact CE1-CB 4.37Å; F385-P445 HydrophobicContact CE1-CG 3.53Å; F385-P445 HydrophobicContact CZ-CB 3.93Å; F385-P445 HydrophobicContact CZ-CG 3.56Å; F390-P445 HydrophobicContact CD1-CB 3.95Å; F390-P445 HydrophobicContact CE1-CB 3.71Å; F390-P445 HydrophobicContact CE2-CB 4.37Å; F390-P445 HydrophobicContact CG-CB 4.37Å; F390-P445 HydrophobicContact CZ-CB 3.94Å; C412-P445 HydrophobicContact CB-CB 4.28Å; L442-P445 HydrophobicContact CB-CB 4.48Å; L442-P445 HydrophobicContact CB-CG 3.92Å; L442-P445 HydrophobicContact CD1-CG 4.47Å; P445-W448 PolarHBondContact O-N 3.37Å; P445-L449 VanDerWaalsContact O-CB 3.32Å; P445-L449 WeakPolarHBondContact O-CB 3.4Å; P445-L449 PolarHBondContact O-N 3.02Å
446	L	97.3	Very high	94.9	Very high	47 Å²	47	30 Å²	30	25%	0.246	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-46.2	177.7	-76.8	168.8	0	0	0	112.4	T409 C412 H441 L442 H443 G444 W448 L449 D450	T409-L446 HydrophobicContact CG2-CD2 4.12Å; C412-L446 HydrophobicContact CB-CD1 4.44Å; C412-L446 HydrophobicContact CB-CD2 3.57Å; C412-L446 HydrophobicContact CB-CG 3.59Å; H441-L446 HydrophobicContact CB-CD1 4.06Å; L442-L446 WeakPolarHBondContact O-CB 3.47Å; L442-L446 WeakPolarHBondContact O-CD1 3.29Å; L442-L446 VanDerWaalsContact O-CG 3.25Å; L442-L446 WeakPolarHBondContact O-CG 3.08Å; L442-L446 PolarHBondContact O-N 3.33Å; H443-L446 PolarHBondContact O-N 2.94Å; G444-L446 VanDerWaalsContact C-N 3.33Å; G444-L446 PolarHBondContact O-N 3.19Å; L446-W448 VanDerWaalsContact C-N 3.33Å; L446-W448 PolarHBondContact O-N 2.91Å; L446-L449 WeakPolarHBondContact O-CB 3.16Å; L446-L449 PolarHBondContact O-N 3.05Å; L446-D450 WeakPolarHBondContact O-CB 3.44Å; L446-D450 PolarHBondContact O-N 3.06Å
447	Q	96.3	Very high	93.9	Very high	67 Å²	67	32.4 Å²	32.4	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-64.6	-39.9	179.6	-173.7	-176.5	19	0	0	111.2	H443 G444 D450 K451	H443-Q447 VanDerWaalsContact O-CB 3.27Å; H443-Q447 WeakPolarHBondContact O-CB 3.3Å; H443-Q447 PolarHBondContact O-N 3.2Å; G444-Q447 PolarHBondContact O-N 2.71Å; Q447-D450 PolarHBondContact O-N 3.19Å; Q447-K451 WeakPolarHBondContact O-CG 3.31Å; Q447-K451 PolarHBondContact O-N 3Å; Q447-K451 VanDerWaalsContact O-N 3.1Å
448	W	94.9	Very high	92.7	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-43	176.6	-162.2	4	0	0	0	111.4	L139 P140 V142 V265 Y267 F390 A391 L394 G444 P445 L446 K451 V452	L139-W448 HydrophobicContact CB-CH2 3.76Å; L139-W448 HydrophobicContact CB-CZ3 4.12Å; L139-W448 HydrophobicContact CD1-CH2 4.31Å; L139-W448 HydrophobicContact CD1-CZ3 3.78Å; L139-W448 HydrophobicContact CG-CZ3 4.49Å; P140-W448 WeakPolarHBondContact O-CH2 3.47Å; P140-W448 VanDerWaalsContact O-CZ2 3.26Å; P140-W448 WeakPolarHBondContact O-CZ2 3.47Å; V142-W448 HydrophobicContact CG2-CH2 4.45Å; V142-W448 HydrophobicContact CG2-CZ2 3.66Å; V265-W448 PolarHBondContact O-NE1 3.49Å; Y267-W448 HydrophobicContact CD2-CB 4.04Å; Y267-W448 AromaticContact CD2-CD2 3.7Å; Y267-W448 HydrophobicContact CD2-CD2 3.7Å; Y267-W448 AromaticContact CD2-CE3 3.28Å; Y267-W448 HydrophobicContact CD2-CE3 3.28Å; Y267-W448 HydrophobicContact CD2-CG 4.08Å; Y267-W448 AromaticContact CD2-CZ3 3.85Å; Y267-W448 HydrophobicContact CD2-CZ3 3.85Å; Y267-W448 HydrophobicContact CE2-CE3 4.1Å; Y267-W448 HydrophobicContact CG-CD2 4.31Å; Y267-W448 AromaticContact CG-CE3 3.99Å; Y267-W448 HydrophobicContact CG-CE3 3.99Å; Y267-W448 HydrophobicContact CG-CZ3 4.18Å; F390-W448 HydrophobicContact CD1-CE3 4.46Å; A391-W448 HydrophobicContact CB-CH2 3.48Å; A391-W448 VanDerWaalsContact CB-CH2 3.48Å; A391-W448 HydrophobicContact CB-CZ3 3.48Å; A391-W448 VanDerWaalsContact CB-CZ3 3.48Å; L394-W448 HydrophobicContact CD2-CB 4.49Å; L394-W448 HydrophobicContact CD2-CD2 4.04Å; L394-W448 HydrophobicContact CD2-CE3 4.48Å; L394-W448 HydrophobicContact CD2-CG 3.99Å; G444-W448 PolarHBondContact O-N 3.37Å; P445-W448 PolarHBondContact O-N 3.37Å; L446-W448 VanDerWaalsContact C-N 3.33Å; L446-W448 PolarHBondContact O-N 2.91Å; W448-K451 PolarHBondContact O-N 2.65Å; W448-V452 WeakPolarHBondContact O-CG2 3.47Å; W448-V452 PolarHBondContact O-N 2.76Å; W448-V452 VanDerWaalsContact O-N 3.13Å
449	L	95.2	Very high	91.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-46.3	176	-174.3	67.1	0	0	0	112.1	F390 L394 V405 L408 T409 P445 L446 K451 V452 L453	F390-L449 HydrophobicContact CZ-CB 4.41Å; L394-L449 HydrophobicContact CD1-CD1 3.58Å; V405-L449 HydrophobicContact CG1-CD1 3.48Å; V405-L449 VanDerWaalsContact CG1-CD1 3.48Å; V405-L449 WeakPolarHBondContact O-CD1 3.45Å; L408-L449 HydrophobicContact CB-CD1 3.99Å; L408-L449 HydrophobicContact CB-CD2 4.29Å; L408-L449 HydrophobicContact CD1-CD1 4.4Å; T409-L449 VanDerWaalsContact N-CD2 3.33Å; T409-L449 WeakPolarHBondContact OG1-CD2 3.39Å; P445-L449 VanDerWaalsContact O-CB 3.32Å; P445-L449 WeakPolarHBondContact O-CB 3.4Å; P445-L449 PolarHBondContact O-N 3.02Å; L446-L449 WeakPolarHBondContact O-CB 3.16Å; L446-L449 PolarHBondContact O-N 3.05Å; L449-K451 PolarHBondContact O-N 3.47Å; L449-V452 PolarHBondContact O-N 3.44Å; L449-V452 VanDerWaalsContact O-N 3.16Å; L449-L453 HydrophobicContact CD1-CD1 4.46Å; L449-L453 HydrophobicContact CD2-CD1 4.41Å; L449-L453 HydrophobicContact CG-CD1 3.92Å; L449-L453 HydrophobicContact CG-CG 4.41Å; L449-L453 WeakPolarHBondContact O-CG 3.47Å; L449-L453 PolarHBondContact O-N 3.34Å
450	D	93.6	Very high	90	Very high	99 Å²	99	46.5 Å²	46.5	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-45.3	178.4	179.9	70.7	0	0	0	112	L446 Q447 V452 L453 T454	L446-D450 WeakPolarHBondContact O-CB 3.44Å; L446-D450 PolarHBondContact O-N 3.06Å; Q447-D450 PolarHBondContact O-N 3.19Å; D450-V452 VanDerWaalsContact C-N 3.32Å; D450-V452 PolarHBondContact O-N 2.74Å; D450-L453 PolarHBondContact O-N 3.34Å; D450-T454 WeakPolarHBondContact O-CB 3.49Å; D450-T454 PolarHBondContact O-N 2.98Å; D450-T454 PolarHBondContact O-OG1 3.04Å
451	K	92.9	Very high	88.8	Confident	52 Å²	52	51.6 Å²	51.6	23%	0.226	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-37.4	175.3	-72.7	180	178.8	179.7	0	112.7	V265 E268 Q447 W448 L449 Q455	V265-K451 HydrophobicContact CG1-CB 3.54Å; V265-K451 HydrophobicContact CG1-CD 4.34Å; E268-K451 IonicContact OE1-NZ 3.22Å; E268-K451 PolarHBondContact OE1-NZ 3.32Å; E268-K451 IonicContact OE2-NZ 2.73Å; E268-K451 PolarHBondContact OE2-NZ 3.05Å; Q447-K451 WeakPolarHBondContact O-CG 3.31Å; Q447-K451 PolarHBondContact O-N 3Å; Q447-K451 VanDerWaalsContact O-N 3.1Å; W448-K451 PolarHBondContact O-N 2.65Å; L449-K451 PolarHBondContact O-N 3.47Å; K451-Q455 WeakPolarHBondContact O-CG 3.39Å
452	V	92.3	Very high	87.6	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.3	-50.3	176	169.2	0	0	0	0	110.7	V142 V144 V265 L394 V398 V405 W448 L449 D450 T454 Q455 M456	V142-V452 HydrophobicContact CB-CG2 4.08Å; V142-V452 HydrophobicContact CG1-CG1 4.5Å; V142-V452 HydrophobicContact CG1-CG2 3.84Å; V144-V452 HydrophobicContact CG2-CB 4.49Å; V144-V452 HydrophobicContact CG2-CG1 3.96Å; V144-V452 HydrophobicContact CG2-CG2 4.37Å; V265-V452 HydrophobicContact CB-CG2 4.04Å; V265-V452 HydrophobicContact CG1-CG2 4Å; V265-V452 HydrophobicContact CG2-CG2 4.23Å; L394-V452 HydrophobicContact CD1-CB 4.39Å; L394-V452 HydrophobicContact CD1-CG1 4.17Å; L394-V452 HydrophobicContact CD1-CG2 4.41Å; L394-V452 HydrophobicContact CD2-CG2 4.09Å; L394-V452 HydrophobicContact CG-CG2 4.38Å; V398-V452 HydrophobicContact CG2-CG1 3.52Å; V405-V452 HydrophobicContact CG1-CG1 4.09Å; W448-V452 WeakPolarHBondContact O-CG2 3.47Å; W448-V452 PolarHBondContact O-N 2.76Å; W448-V452 VanDerWaalsContact O-N 3.13Å; L449-V452 PolarHBondContact O-N 3.44Å; L449-V452 VanDerWaalsContact O-N 3.16Å; D450-V452 VanDerWaalsContact C-N 3.32Å; D450-V452 PolarHBondContact O-N 2.74Å; V452-T454 VanDerWaalsContact C-N 3.29Å; V452-T454 PolarHBondContact O-N 3.02Å; V452-Q455 PolarHBondContact O-N 3.43Å; V452-M456 HydrophobicContact CG1-CG 4.4Å; V452-M456 HydrophobicContact CG1-SD 3.88Å; V452-M456 WeakPolarHBondContact O-CG 3.27Å; V452-M456 PolarHBondContact O-N 3.43Å
453	L	91	Very high	86.7	Confident	22 Å²	22	62.3 Å²	62.3	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-40.7	-179.8	-75.7	170.1	0	0	0	112.1	F402 V405 Y406 L449 D450 Q455 M456	F402-L453 HydrophobicContact CD2-CD2 3.95Å; F402-L453 HydrophobicContact CE1-CD2 4.44Å; F402-L453 HydrophobicContact CE2-CB 4.42Å; F402-L453 HydrophobicContact CE2-CD2 3.71Å; F402-L453 HydrophobicContact CG-CD2 4.42Å; F402-L453 HydrophobicContact CZ-CD2 3.98Å; V405-L453 HydrophobicContact CB-CD2 3.9Å; V405-L453 HydrophobicContact CG1-CD2 3.55Å; V405-L453 HydrophobicContact CG1-CG 3.84Å; Y406-L453 HydrophobicContact CD2-CD1 4.17Å; L449-L453 HydrophobicContact CD1-CD1 4.46Å; L449-L453 HydrophobicContact CD2-CD1 4.41Å; L449-L453 HydrophobicContact CG-CD1 3.92Å; L449-L453 HydrophobicContact CG-CG 4.41Å; L449-L453 WeakPolarHBondContact O-CG 3.47Å; L449-L453 PolarHBondContact O-N 3.34Å; D450-L453 PolarHBondContact O-N 3.34Å; L453-Q455 PolarHBondContact O-N 3.44Å; L453-Q455 VanDerWaalsContact O-N 3.13Å; L453-M456 PolarHBondContact O-N 3.43Å
454	T	88.9	Confident	85.8	Confident	106 Å²	106	63.4 Å²	63.4	65%	0.65	36%	0.363	S	S	*	.	H	α-helix	trans	-58.4	-26.6	176.5	-59.5	0	0	0	0	112.5	D450 V452	D450-T454 WeakPolarHBondContact O-CB 3.49Å; D450-T454 PolarHBondContact O-N 2.98Å; D450-T454 PolarHBondContact O-OG1 3.04Å; V452-T454 VanDerWaalsContact C-N 3.29Å; V452-T454 PolarHBondContact O-N 3.02Å
455	Q	86.9	Confident	85.2	Confident	67 Å²	67	69.2 Å²	69.2	31%	0.313	40%	0.403	S	S	.	.	H	α-helix	trans	-91.8	-12.1	178.7	-63.5	-174.2	27.7	0	0	114	V144 V265 K451 V452 L453	V144-Q455 HydrophobicContact CB-CB 4.35Å; V144-Q455 HydrophobicContact CG1-CB 3.98Å; V144-Q455 HydrophobicContact CG2-CB 4.47Å; V265-Q455 VanDerWaalsContact CG2-NE2 3.34Å; K451-Q455 WeakPolarHBondContact O-CG 3.39Å; V452-Q455 PolarHBondContact O-N 3.43Å; L453-Q455 PolarHBondContact O-N 3.44Å; L453-Q455 VanDerWaalsContact O-N 3.13Å
456	M	82.3	Confident	84.2	Confident	27 Å²	27	75.2 Å²	75.2	13%	0.133	44%	0.439	C	S	.	.	H	α-helix	trans	-90.4	-5.7	-175.2	-70.9	-176.2	76.1	0	0	114.7	V144 V398 F402 V405 V452 L453	V144-M456 HydrophobicContact CG1-CG 3.75Å; V398-M456 HydrophobicContact CG1-CE 4.39Å; V398-M456 HydrophobicContact CG1-SD 4.48Å; V398-M456 HydrophobicContact CG2-SD 4.22Å; V398-M456 WeakPolarHBondContact O-CE 3.37Å; F402-M456 HydrophobicContact CD2-CB 4.24Å; V405-M456 HydrophobicContact CB-SD 4.05Å; V405-M456 HydrophobicContact CG1-SD 4.14Å; V405-M456 HydrophobicContact CG2-CE 3.87Å; V405-M456 HydrophobicContact CG2-SD 3.66Å; V452-M456 HydrophobicContact CG1-CG 4.4Å; V452-M456 HydrophobicContact CG1-SD 3.88Å; V452-M456 WeakPolarHBondContact O-CG 3.27Å; V452-M456 PolarHBondContact O-N 3.43Å; L453-M456 PolarHBondContact O-N 3.43Å
457	G	77.3	Confident	82.6	Confident	50 Å²	50	80.1 Å²	80.1	52%	0.515	48%	0.478	S	S	.	.			trans	80.5	-163.7	-176.8	0	0	0	0	0	113.4	F402	F402-G457 VanDerWaalsContact CD2-O 3.23Å; F402-G457 WeakPolarHBondContact CD2-O 3.29Å; F402-G457 WeakPolarHBondContact CE2-O 3.33Å
458	S	73.3	Confident	81.9	Confident	101 Å²	101	80.8 Å²	80.8	71%	0.706	49%	0.486	S	S	*	.			trans	-91.3	158.2	-178	57.8	0	0	0	0	112.8
459	P	74	Confident	81.2	Confident	56 Å²	56	84.8 Å²	84.8	36%	0.364	51%	0.511	S	S	.	.			trans	-52.8	146.8	167.9	-20.5	29	0	0	0	111.8	F402	F402-P459 HydrophobicContact CD1-CB 4.36Å; F402-P459 HydrophobicContact CD1-CG 3.78Å; F402-P459 HydrophobicContact CE1-CG 3.64Å; F402-P459 HydrophobicContact CZ-CG 4.29Å
460	H	67.4	Low	80.4	Confident	170 Å²	170	89.4 Å²	89.4	79%	0.787	54%	0.539	S	S	*	.	S	Bend	trans	-72	-31.5	-179.5	-163.5	-41.8	0	0	0	112.3	P462	H460-P462 VanDerWaalsContact O-CD 3.29Å; H460-P462 WeakPolarHBondContact O-CD 3.23Å
461	N	73.3	Confident	79.6	Confident	110 Å²	110	88.9 Å²	88.9	59%	0.588	54%	0.539	S	S	*	.	S	Bend	trans	-84.8	113.3	179.1	-71.6	-31.9	0	0	0	110	I463	N461-I463 PolarHBondContact O-N 3.5Å
462	P	73.6	Confident	78.8	Confident	125 Å²	125	91.2 Å²	91.2	81%	0.812	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-65.6	135.9	174.1	28.2	-33	0	0	0	109.4	H460	H460-P462 VanDerWaalsContact O-CD 3.29Å; H460-P462 WeakPolarHBondContact O-CD 3.23Å
463	I	78.8	Confident	77.9	Confident	156 Å²	156	97.3 Å²	97.3	80%	0.8	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-84.5	130.6	174	-63.9	168.3	0	0	0	107.7	N461	N461-I463 PolarHBondContact O-N 3.5Å
464	S	79.8	Confident	77	Confident	65 Å²	65	102.6 Å²	102.6	46%	0.455	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-69.8	137.6	173.9	174.2	0	0	0	0	110.1	V466 S467	S464-V466 PolarHBondContact O-N 3.36Å; S464-V466 PolarHBondContact OG-N 3.16Å; S464-V466 VanDerWaalsContact OG-N 3.16Å; S464-S467 WeakPolarHBondContact CB-OG 3.46Å; S464-S467 PolarHBondContact O-OG 3.42Å; S464-S467 PolarHBondContact OG-N 3.42Å
465	S	83.3	Confident	76	Confident	123 Å²	123	102.4 Å²	102.4	86%	0.86	63%	0.629	S	S	*	*	S	Bend	trans	-80.2	-0.1	173.4	56.1	0	0	0	0	113.7
466	V	75.1	Confident	75.1	Confident	130 Å²	130	105.3 Å²	105.3	79%	0.788	66%	0.655	S	S	*	*			trans	-122.8	-12.3	-170.3	-168	0	0	0	0	112.7	S464	S464-V466 PolarHBondContact O-N 3.36Å; S464-V466 PolarHBondContact OG-N 3.16Å; S464-V466 VanDerWaalsContact OG-N 3.16Å
467	S	63.3	Low	74.5	Confident	151 Å²	151	112.5 Å²	112.5	100%	1.056	70%	0.703	S	S	*	*			trans	-77.9	0	-176.5	53	0	0	0	0	114.1	S464	S464-S467 WeakPolarHBondContact CB-OG 3.46Å; S464-S467 PolarHBondContact O-OG 3.42Å; S464-S467 PolarHBondContact OG-N 3.42Å

Retrieved 467 of 467 residues in 264.1 ms (Link to these results)

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