A0A2K6A1K2_MANLE Loading...

Zinc finger protein 789

AlphaFold DB , UniProt , Accession A0A2K6A1K2, Species MANLE (Mandrillus leucophaeus, Drill), Gene ZNF789, Length 425 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	38.4	Very low	243 Å²	243	158.5 Å²	158.5	100%	1.197	84%	0.837	S	S	*	*				0	102.2	0	-86.4	166.1	134.5	0	0	108.1
2	F	30.7	Very low	40	Very low	206 Å²	206	148.9 Å²	148.9	90%	0.904	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-96.3	142	168.9	-76.7	-86	0	0	0	108.1
3	P	33.2	Very low	41.4	Very low	114 Å²	114	138.4 Å²	138.4	74%	0.74	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-70.6	151.3	-179.2	29.4	-31.8	0	0	0	110.8
4	P	35	Very low	42.8	Very low	123 Å²	123	139.1 Å²	139.1	80%	0.799	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-67.5	143.5	-179.5	28	-32	0	0	0	110.7	R6	P4-R6 PolarHBondContact O-N 3.23Å
5	A	32.8	Very low	43.8	Very low	101 Å²	101	136.9 Å²	136.9	84%	0.835	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-52.2	122	175.8	0	0	0	0	0	110.5	G7	A5-G7 PolarHBondContact O-N 2.81Å
6	R	35.1	Very low	44.5	Very low	243 Å²	243	131.7 Å²	131.7	92%	0.917	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57.3	124.3	165	-92.1	178.8	-97.6	-152.4	-5.3	107.8	P4 K8	P4-R6 PolarHBondContact O-N 3.23Å; R6-K8 PolarHBondContact O-N 3.45Å
7	G	35.7	Very low	45.3	Very low	72 Å²	72	124.8 Å²	124.8	74%	0.742	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-52.2	130.2	175.1	0	0	0	0	0	110.1	A5 E9	A5-G7 PolarHBondContact O-N 2.81Å; G7-E9 PolarHBondContact O-N 3.12Å
8	K	39.9	Very low	45.9	Very low	198 Å²	198	124.7 Å²	124.7	86%	0.861	66%	0.66	S	S	*	*			trans	-63.3	113.7	167.1	-72.2	176.2	175.2	179.5	0	106.8	R6 L10	R6-K8 PolarHBondContact O-N 3.45Å; K8-L10 PolarHBondContact O-N 3.38Å; K8-L10 VanDerWaalsContact O-N 3.17Å
9	E	41.5	Very low	46.7	Very low	192 Å²	192	124.4 Å²	124.4	90%	0.897	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-55.5	118.6	159.4	-80.6	175.8	152.7	0	0	106.8	G7 L11	G7-E9 PolarHBondContact O-N 3.12Å; E9-L11 PolarHBondContact O-N 2.98Å
10	L	53.5	Low	47.1	Very low	147 Å²	147	121.1 Å²	121.1	77%	0.77	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-68.6	116.7	174.8	-88.7	104.5	0	0	0	107.7	K8 S12	K8-L10 PolarHBondContact O-N 3.38Å; K8-L10 VanDerWaalsContact O-N 3.17Å; L10-S12 PolarHBondContact O-N 3.36Å
11	L	50.6	Low	47.5	Very low	104 Å²	104	118.5 Å²	118.5	55%	0.545	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-56.4	124.5	167.5	-75.3	159.1	0	0	0	109.1	E9 F52	E9-L11 PolarHBondContact O-N 2.98Å; L11-F52 HydrophobicContact CB-CE1 4.31Å; L11-F52 HydrophobicContact CB-CZ 4.2Å; L11-F52 HydrophobicContact CD1-CZ 4.42Å
12	S	58.4	Low	48.3	Very low	44 Å²	44	113.2 Å²	113.2	31%	0.308	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-103.4	163.9	177.5	75.4	0	0	0	0	110.9	L10 E14 D15	L10-S12 PolarHBondContact O-N 3.36Å; S12-E14 PolarHBondContact O-N 2.78Å; S12-D15 WeakPolarHBondContact CA-OD2 3.12Å; S12-D15 WeakPolarHBondContact CB-OD2 3.28Å; S12-D15 PolarHBondContact N-OD2 3.44Å; S12-D15 WeakPolarHBondContact O-CB 3.4Å; S12-D15 PolarHBondContact O-N 3.07Å; S12-D15 VanDerWaalsContact O-N 3.13Å; S12-D15 PolarHBondContact OG-OD2 2.96Å
13	F	58.1	Low	49.3	Very low	12 Å²	12	109.5 Å²	109.5	5%	0.053	57%	0.572	C	S	.	*	H	α-helix	trans	-65.2	-27	177.4	-174.2	-96.9	0	0	0	112.3	D15 V16 A17 M40 Y44 M47 F54 P57 I60	F13-D15 PolarHBondContact O-N 3Å; F13-V16 HydrophobicContact CD2-CG2 4.26Å; F13-V16 WeakPolarHBondContact O-CG2 3.43Å; F13-V16 PolarHBondContact O-N 3.12Å; F13-A17 HydrophobicContact CD1-CB 3.92Å; F13-A17 HydrophobicContact CE1-CB 3.65Å; F13-A17 HydrophobicContact CZ-CB 4.14Å; F13-A17 WeakPolarHBondContact O-CB 3.43Å; F13-A17 PolarHBondContact O-N 3.4Å; F13-M40 HydrophobicContact CE1-CE 3.98Å; F13-M40 HydrophobicContact CZ-CE 3.89Å; F13-Y44 HydrophobicContact CD2-CD2 4.16Å; F13-Y44 HydrophobicContact CE2-CD2 4.3Å; F13-Y44 HydrophobicContact CE2-CG 4.48Å; F13-M47 HydrophobicContact CB-CE 3.51Å; F13-M47 HydrophobicContact CD2-CE 3.63Å; F13-M47 HydrophobicContact CG-CE 4.05Å; F13-F54 HydrophobicContact CB-CE2 3.91Å; F13-F54 HydrophobicContact CB-CZ 4.31Å; F13-F54 HydrophobicContact CD2-CE2 4.43Å; F13-F54 HydrophobicContact CD2-CZ 4.48Å; F13-F54 HydrophobicContact CG-CE2 4.37Å; F13-P57 HydrophobicContact CB-CG 4.09Å; F13-P57 HydrophobicContact CD1-CB 3.97Å; F13-P57 HydrophobicContact CD1-CG 3.63Å; F13-P57 HydrophobicContact CD2-CG 4.39Å; F13-P57 HydrophobicContact CE1-CB 4.27Å; F13-P57 HydrophobicContact CE1-CG 4.2Å; F13-P57 HydrophobicContact CG-CG 3.76Å; F13-I60 HydrophobicContact CE1-CD1 4.23Å; F13-I60 HydrophobicContact CE1-CG1 4.18Å; F13-I60 HydrophobicContact CE2-CD1 4.15Å; F13-I60 HydrophobicContact CE2-CG1 4.34Å; F13-I60 HydrophobicContact CZ-CD1 3.57Å; F13-I60 HydrophobicContact CZ-CG1 3.88Å
14	E	61.3	Low	50	Low	148 Å²	148	108.7 Å²	108.7	69%	0.692	56%	0.558	S	S	*	*	H	α-helix	trans	-64.4	-25.7	175.2	-63.4	173.7	-173.2	0	0	112.5	S12 V16	S12-E14 PolarHBondContact O-N 2.78Å; E14-V16 VanDerWaalsContact C-N 3.34Å
15	D	57.1	Low	51.3	Low	106 Å²	106	104.1 Å²	104.1	57%	0.567	53%	0.525	S	S	*	.	H	α-helix	trans	-77.6	-20.2	179.9	-59.2	-54.4	0	0	0	113.3	S12 F13	S12-D15 WeakPolarHBondContact CA-OD2 3.12Å; S12-D15 WeakPolarHBondContact CB-OD2 3.28Å; S12-D15 PolarHBondContact N-OD2 3.44Å; S12-D15 WeakPolarHBondContact O-CB 3.4Å; S12-D15 PolarHBondContact O-N 3.07Å; S12-D15 VanDerWaalsContact O-N 3.13Å; S12-D15 PolarHBondContact OG-OD2 2.96Å; F13-D15 PolarHBondContact O-N 3Å
16	V	54.7	Low	52.2	Low	54 Å²	54	101.8 Å²	101.8	33%	0.327	51%	0.511	S	S	.	.	H	α-helix	trans	-118.9	-0.3	-177.7	-62.5	0	0	0	0	112.8	F13 E14 N43 M47	F13-V16 HydrophobicContact CD2-CG2 4.26Å; F13-V16 WeakPolarHBondContact O-CG2 3.43Å; F13-V16 PolarHBondContact O-N 3.12Å; E14-V16 VanDerWaalsContact C-N 3.34Å; V16-N43 PolarHBondContact O-ND2 2.96Å; V16-M47 HydrophobicContact CG2-CE 3.75Å; V16-M47 HydrophobicContact CG2-CG 4.22Å; V16-M47 HydrophobicContact CG2-SD 3.72Å
17	A	58.3	Low	53	Low	14 Å²	14	97.9 Å²	97.9	12%	0.116	50%	0.503	C	S	.	.			trans	-94.2	135.2	177	0	0	0	0	0	110.4	F13 Y19 M40	F13-A17 HydrophobicContact CD1-CB 3.92Å; F13-A17 HydrophobicContact CE1-CB 3.65Å; F13-A17 HydrophobicContact CZ-CB 4.14Å; F13-A17 WeakPolarHBondContact O-CB 3.43Å; F13-A17 PolarHBondContact O-N 3.4Å; A17-Y19 HydrophobicContact CB-CD2 4.29Å; A17-Y19 HydrophobicContact CB-CE1 4.43Å; A17-Y19 HydrophobicContact CB-CE2 3.47Å; A17-Y19 VanDerWaalsContact CB-CE2 3.47Å; A17-Y19 WeakPolarHBondContact CB-OH 3.36Å; A17-M40 HydrophobicContact CB-CE 3.55Å; A17-M40 HydrophobicContact CB-SD 4.4Å
18	M	56.4	Low	53.6	Low	123 Å²	123	95.9 Å²	95.9	61%	0.606	48%	0.475	S	S	*	.			trans	-99.3	137.3	164.7	-74.2	176.1	33.1	0	0	108.1	F20 Y36 M40	M18-F20 HydrophobicContact CE-CZ 4.2Å; M18-Y36 HydrophobicContact CB-CE2 4.44Å; M18-Y36 WeakPolarHBondContact O-CE2 3.33Å; M18-Y36 PolarHBondContact O-OH 3.48Å; M18-M40 WeakPolarHBondContact O-CE 3.36Å
19	Y	61.3	Low	54.1	Low	120 Å²	120	90.9 Å²	90.9	47%	0.471	46%	0.458	S	S	.	.			trans	-119.2	134.7	176.8	-60.4	-87.3	0	0	0	108.9	A17 V59	A17-Y19 HydrophobicContact CB-CD2 4.29Å; A17-Y19 HydrophobicContact CB-CE1 4.43Å; A17-Y19 HydrophobicContact CB-CE2 3.47Å; A17-Y19 VanDerWaalsContact CB-CE2 3.47Å; A17-Y19 WeakPolarHBondContact CB-OH 3.36Å; Y19-V59 HydrophobicContact CE1-CG2 4.14Å
20	F	54.2	Low	54.4	Low	58 Å²	58	90 Å²	90	25%	0.254	45%	0.446	S	S	.	.			trans	-100.9	140.3	173.2	-73.9	-72.4	0	0	0	110.3	M18 E24 W25 L28 Y36	M18-F20 HydrophobicContact CE-CZ 4.2Å; F20-E24 HydrophobicContact CB-CB 4.44Å; F20-E24 HydrophobicContact CD1-CB 3.95Å; F20-W25 HydrophobicContact CB-CB 4.28Å; F20-W25 HydrophobicContact CB-CE3 3.97Å; F20-W25 AromaticContact CD2-CE3 3.78Å; F20-W25 HydrophobicContact CD2-CE3 3.78Å; F20-W25 AromaticContact CD2-CZ3 3.92Å; F20-W25 HydrophobicContact CD2-CZ3 3.92Å; F20-W25 HydrophobicContact CG-CE3 4.14Å; F20-L28 HydrophobicContact CD1-CD1 4.32Å; F20-L28 HydrophobicContact CD2-CD1 3.9Å; F20-L28 HydrophobicContact CE1-CD1 4.23Å; F20-L28 HydrophobicContact CE2-CD1 3.78Å; F20-L28 HydrophobicContact CG-CD1 4.16Å; F20-L28 HydrophobicContact CZ-CD1 3.96Å; F20-Y36 AromaticContact CD2-CD2 3.72Å; F20-Y36 HydrophobicContact CD2-CD2 3.72Å; F20-Y36 AromaticContact CD2-CE2 3.57Å; F20-Y36 HydrophobicContact CD2-CE2 3.57Å; F20-Y36 HydrophobicContact CD2-CG 4.34Å; F20-Y36 AromaticContact CE2-CD2 3.39Å; F20-Y36 HydrophobicContact CE2-CD2 3.39Å; F20-Y36 AromaticContact CE2-CE2 3.68Å; F20-Y36 HydrophobicContact CE2-CE2 3.68Å; F20-Y36 HydrophobicContact CE2-CG 4.12Å
21	T	55.3	Low	54.1	Low	67 Å²	67	85.2 Å²	85.2	41%	0.411	43%	0.432	S	S	.	.			trans	-68.5	163.4	164.8	61.4	0	0	0	0	110.7	E23 E24 W25	T21-E23 VanDerWaalsContact C-N 3.29Å; T21-E23 PolarHBondContact O-N 3.48Å; T21-E24 WeakPolarHBondContact CB-OE2 3.31Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.15Å; T21-E24 PolarHBondContact N-OE2 3.04Å; T21-E24 PolarHBondContact O-N 3.43Å; T21-E24 WeakPolarHBondContact OG1-CB 3.39Å; T21-E24 WeakPolarHBondContact OG1-CG 3.47Å; T21-E24 PolarHBondContact OG1-N 3.38Å; T21-E24 PolarHBondContact OG1-OE2 3.2Å; T21-W25 WeakPolarHBondContact O-CB 3.35Å; T21-W25 PolarHBondContact O-N 3.2Å
22	R	52.1	Low	53.9	Low	132 Å²	132	84.5 Å²	84.5	50%	0.498	43%	0.426	S	S	.	.	H	α-helix	trans	-56.3	-44.6	177.5	167.6	170.6	-161.2	158.3	19.6	112	G26 I71	R22-G26 PolarHBondContact O-N 3.36Å; R22-I71 HydrophobicContact CB-CG2 3.97Å; R22-I71 HydrophobicContact CG-CG2 3.28Å; R22-I71 VanDerWaalsContact CZ-O 3.31Å; R22-I71 PolarHBondContact NH1-O 3.45Å; R22-I71 PolarHBondContact NH2-O 3.49Å
23	E	50.4	Low	53.9	Low	128 Å²	128	84.7 Å²	84.7	60%	0.598	42%	0.422	S	S	*	.	H	α-helix	trans	-65.7	-46.1	179.9	-63	77.7	-163.9	0	0	110.6	T21 W25 G26 H27	T21-E23 VanDerWaalsContact C-N 3.29Å; T21-E23 PolarHBondContact O-N 3.48Å; E23-W25 PolarHBondContact O-N 2.78Å; E23-G26 PolarHBondContact O-N 3.05Å; E23-H27 PolarHBondContact O-CD2 2.98Å; E23-H27 PolarHBondContact O-N 2.77Å
24	E	48.5	Very low	53.7	Low	97 Å²	97	87.3 Å²	87.3	45%	0.453	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-41.2	178.3	-69.9	165.2	151.2	0	0	112.2	F20 T21 G26 H27 L28	F20-E24 HydrophobicContact CB-CB 4.44Å; F20-E24 HydrophobicContact CD1-CB 3.95Å; T21-E24 WeakPolarHBondContact CB-OE2 3.31Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.15Å; T21-E24 PolarHBondContact N-OE2 3.04Å; T21-E24 PolarHBondContact O-N 3.43Å; T21-E24 WeakPolarHBondContact OG1-CB 3.39Å; T21-E24 WeakPolarHBondContact OG1-CG 3.47Å; T21-E24 PolarHBondContact OG1-N 3.38Å; T21-E24 PolarHBondContact OG1-OE2 3.2Å; E24-G26 VanDerWaalsContact C-N 3.31Å; E24-G26 PolarHBondContact O-N 3.36Å; E24-H27 PolarHBondContact O-N 3.22Å; E24-H27 VanDerWaalsContact O-N 3.14Å; E24-L28 WeakPolarHBondContact O-CG 3.21Å; E24-L28 PolarHBondContact O-N 3.46Å
25	W	62.2	Low	53.2	Low	26 Å²	26	85.6 Å²	85.6	10%	0.098	43%	0.431	C	S	.	.	H	α-helix	trans	-64.6	-35.2	176.5	-171.2	-99.6	0	0	0	112.5	F20 T21 E23 H27 L28 K33 Y36 W70	F20-W25 HydrophobicContact CB-CB 4.28Å; F20-W25 HydrophobicContact CB-CE3 3.97Å; F20-W25 AromaticContact CD2-CE3 3.78Å; F20-W25 HydrophobicContact CD2-CE3 3.78Å; F20-W25 AromaticContact CD2-CZ3 3.92Å; F20-W25 HydrophobicContact CD2-CZ3 3.92Å; F20-W25 HydrophobicContact CG-CE3 4.14Å; T21-W25 WeakPolarHBondContact O-CB 3.35Å; T21-W25 PolarHBondContact O-N 3.2Å; E23-W25 PolarHBondContact O-N 2.78Å; W25-H27 PolarHBondContact O-N 2.76Å; W25-L28 HydrophobicContact CD2-CD1 4.34Å; W25-L28 HydrophobicContact CE3-CD1 3.65Å; W25-L28 HydrophobicContact CZ3-CD1 3.99Å; W25-L28 PolarHBondContact O-N 2.95Å; W25-K33 HydrophobicContact CD2-CG 4.41Å; W25-K33 HydrophobicContact CH2-CB 4.03Å; W25-K33 HydrophobicContact CH2-CG 3.99Å; W25-K33 HydrophobicContact CZ2-CB 3.93Å; W25-K33 HydrophobicContact CZ2-CD 3.98Å; W25-K33 HydrophobicContact CZ2-CG 3.7Å; W25-K33 HydrophobicContact CZ3-CG 4.47Å; W25-K33 WeakPolarHBondContact O-CE 3.15Å; W25-K33 PolarHBondContact O-NZ 3.41Å; W25-Y36 AromaticContact CH2-CD1 3.4Å; W25-Y36 HydrophobicContact CH2-CD1 3.4Å; W25-Y36 VanDerWaalsContact CH2-CD1 3.4Å; W25-Y36 AromaticContact CH2-CE1 3.86Å; W25-Y36 HydrophobicContact CH2-CE1 3.86Å; W25-Y36 HydrophobicContact CH2-CG 4.1Å; W25-Y36 AromaticContact CZ3-CD1 3.3Å; W25-Y36 HydrophobicContact CZ3-CD1 3.3Å; W25-Y36 HydrophobicContact CZ3-CD2 4.39Å; W25-Y36 AromaticContact CZ3-CE1 3.58Å; W25-Y36 HydrophobicContact CZ3-CE1 3.58Å; W25-Y36 AromaticContact CZ3-CG 3.7Å; W25-Y36 HydrophobicContact CZ3-CG 3.7Å; W25-W70 HydrophobicContact CD2-CH2 4.22Å; W25-W70 AromaticContact CD2-CZ2 3.95Å; W25-W70 HydrophobicContact CD2-CZ2 3.95Å; W25-W70 AromaticContact CE2-CZ2 3.82Å; W25-W70 HydrophobicContact CE3-CZ2 4.4Å; W25-W70 HydrophobicContact CG-CH2 4.29Å; W25-W70 HydrophobicContact CG-CZ2 4.27Å; W25-W70 HydrophobicContact CZ2-CZ2 4.19Å
26	G	51.9	Low	53.4	Low	53 Å²	53	81.5 Å²	81.5	55%	0.546	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-27.2	174.3	0	0	0	0	0	113.4	R22 E23 E24	R22-G26 PolarHBondContact O-N 3.36Å; E23-G26 PolarHBondContact O-N 3.05Å; E24-G26 VanDerWaalsContact C-N 3.31Å; E24-G26 PolarHBondContact O-N 3.36Å
27	H	50.6	Low	53.7	Low	160 Å²	160	80.9 Å²	80.9	74%	0.741	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.9	177.2	-68.7	-58.5	0	0	0	114.2	E23 E24 W25	E23-H27 PolarHBondContact O-CD2 2.98Å; E23-H27 PolarHBondContact O-N 2.77Å; E24-H27 PolarHBondContact O-N 3.22Å; E24-H27 VanDerWaalsContact O-N 3.14Å; W25-H27 PolarHBondContact O-N 2.76Å
28	L	48.3	Very low	53.5	Low	30 Å²	30	84.3 Å²	84.3	16%	0.157	42%	0.416	C	S	.	.			trans	-77.7	130.3	176.4	-61.7	-179	0	0	0	110.9	F20 E24 W25 Q32 K33	F20-L28 HydrophobicContact CD1-CD1 4.32Å; F20-L28 HydrophobicContact CD2-CD1 3.9Å; F20-L28 HydrophobicContact CE1-CD1 4.23Å; F20-L28 HydrophobicContact CE2-CD1 3.78Å; F20-L28 HydrophobicContact CG-CD1 4.16Å; F20-L28 HydrophobicContact CZ-CD1 3.96Å; E24-L28 WeakPolarHBondContact O-CG 3.21Å; E24-L28 PolarHBondContact O-N 3.46Å; W25-L28 HydrophobicContact CD2-CD1 4.34Å; W25-L28 HydrophobicContact CE3-CD1 3.65Å; W25-L28 HydrophobicContact CZ3-CD1 3.99Å; W25-L28 PolarHBondContact O-N 2.95Å; L28-Q32 HydrophobicContact CB-CB 4.06Å; L28-Q32 HydrophobicContact CD2-CB 4.11Å; L28-K33 HydrophobicContact CB-CG 3.81Å; L28-K33 HydrophobicContact CD1-CG 4.46Å; L28-K33 WeakPolarHBondContact O-CE 3.48Å
29	D	50.8	Low	53.6	Low	94 Å²	94	81.2 Å²	81.2	50%	0.503	40%	0.404	S	S	.	.			trans	-70.3	164.4	168.9	76.4	47.3	0	0	0	111.3	G31 Q32 K33	D29-G31 PolarHBondContact O-N 2.86Å; D29-G31 WeakPolarHBondContact OD1-CA 3.32Å; D29-G31 PolarHBondContact OD1-N 3.49Å; D29-Q32 WeakPolarHBondContact O-CB 3.35Å; D29-Q32 PolarHBondContact O-N 3.2Å; D29-Q32 PolarHBondContact OD1-N 3.48Å; D29-K33 PolarHBondContact O-N 3.24Å
30	W	47.8	Very low	53.6	Low	172 Å²	172	75.6 Å²	75.6	65%	0.652	38%	0.382	S	S	*	.	H	α-helix	trans	-55.5	-35.6	-177.9	-89.4	95.9	0	0	0	113.9	D34 E68	W30-D34 WeakPolarHBondContact O-CB 3.5Å; W30-D34 PolarHBondContact O-N 2.95Å; W30-E68 WeakPolarHBondContact CH2-OE1 3.35Å
31	G	46.8	Very low	54.1	Low	47 Å²	47	73.4 Å²	73.4	49%	0.485	37%	0.373	S	S	.	.	H	α-helix	trans	-73.4	-30.6	178.3	0	0	0	0	0	112.8	D29 L35	D29-G31 PolarHBondContact O-N 2.86Å; D29-G31 WeakPolarHBondContact OD1-CA 3.32Å; D29-G31 PolarHBondContact OD1-N 3.49Å; G31-L35 WeakPolarHBondContact O-CB 3.12Å; G31-L35 PolarHBondContact O-N 3.01Å
32	Q	47.2	Very low	54.2	Low	90 Å²	90	75.7 Å²	75.7	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-72.5	-36.6	174.6	-65.8	173.6	-51	0	0	112	L28 D29 Y36	L28-Q32 HydrophobicContact CB-CB 4.06Å; L28-Q32 HydrophobicContact CD2-CB 4.11Å; D29-Q32 WeakPolarHBondContact O-CB 3.35Å; D29-Q32 PolarHBondContact O-N 3.2Å; D29-Q32 PolarHBondContact OD1-N 3.48Å; Q32-Y36 WeakPolarHBondContact O-CB 2.79Å; Q32-Y36 PolarHBondContact O-N 3.07Å
33	K	59	Low	54.2	Low	48 Å²	48	71.7 Å²	71.7	21%	0.209	37%	0.368	C	S	.	.	H	α-helix	trans	-67.5	-40.8	174.5	-67.8	178	175.8	171.5	0	112.3	W25 L28 D29 Y36 R37	W25-K33 HydrophobicContact CD2-CG 4.41Å; W25-K33 HydrophobicContact CH2-CB 4.03Å; W25-K33 HydrophobicContact CH2-CG 3.99Å; W25-K33 HydrophobicContact CZ2-CB 3.93Å; W25-K33 HydrophobicContact CZ2-CD 3.98Å; W25-K33 HydrophobicContact CZ2-CG 3.7Å; W25-K33 HydrophobicContact CZ3-CG 4.47Å; W25-K33 WeakPolarHBondContact O-CE 3.15Å; W25-K33 PolarHBondContact O-NZ 3.41Å; L28-K33 HydrophobicContact CB-CG 3.81Å; L28-K33 HydrophobicContact CD1-CG 4.46Å; L28-K33 WeakPolarHBondContact O-CE 3.48Å; D29-K33 PolarHBondContact O-N 3.24Å; K33-Y36 PolarHBondContact O-N 3.19Å; K33-R37 PolarHBondContact O-N 3.2Å; K33-R37 VanDerWaalsContact O-N 3.08Å
34	D	52.9	Low	54.8	Low	67 Å²	67	67.1 Å²	67.1	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-43.8	175.4	-164.7	53.6	0	0	0	111.4	W30 Y36 R37 D38 W66	W30-D34 WeakPolarHBondContact O-CB 3.5Å; W30-D34 PolarHBondContact O-N 2.95Å; D34-Y36 PolarHBondContact O-N 3.24Å; D34-R37 WeakPolarHBondContact O-CB 3.45Å; D34-R37 PolarHBondContact O-N 3.03Å; D34-D38 PolarHBondContact O-N 3.28Å; D34-W66 WeakPolarHBondContact OD1-CH2 3.37Å; D34-W66 WeakPolarHBondContact OD1-CZ2 3.46Å
35	L	51.7	Low	55.5	Low	112 Å²	112	68.8 Å²	68.8	59%	0.586	35%	0.347	S	S	*	.	H	α-helix	trans	-62.2	-41.8	175	-178.7	62.8	0	0	0	112.4	G31 R37 D38 V39	G31-L35 WeakPolarHBondContact O-CB 3.12Å; G31-L35 PolarHBondContact O-N 3.01Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.13Å; L35-D38 PolarHBondContact O-N 3.07Å; L35-V39 HydrophobicContact CD1-CG2 4.18Å; L35-V39 HydrophobicContact CG-CG2 4.45Å; L35-V39 WeakPolarHBondContact O-CB 3.46Å; L35-V39 VanDerWaalsContact O-CG2 3.26Å; L35-V39 WeakPolarHBondContact O-CG2 3.5Å; L35-V39 PolarHBondContact O-N 2.89Å
36	Y	60.2	Low	55	Low	20 Å²	20	70.9 Å²	70.9	8%	0.078	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-43.9	175.4	172.2	-96.3	0	0	0	111.7	M18 F20 W25 Q32 K33 D34 V39 M40 L63	M18-Y36 HydrophobicContact CB-CE2 4.44Å; M18-Y36 WeakPolarHBondContact O-CE2 3.33Å; M18-Y36 PolarHBondContact O-OH 3.48Å; F20-Y36 AromaticContact CD2-CD2 3.72Å; F20-Y36 HydrophobicContact CD2-CD2 3.72Å; F20-Y36 AromaticContact CD2-CE2 3.57Å; F20-Y36 HydrophobicContact CD2-CE2 3.57Å; F20-Y36 HydrophobicContact CD2-CG 4.34Å; F20-Y36 AromaticContact CE2-CD2 3.39Å; F20-Y36 HydrophobicContact CE2-CD2 3.39Å; F20-Y36 AromaticContact CE2-CE2 3.68Å; F20-Y36 HydrophobicContact CE2-CE2 3.68Å; F20-Y36 HydrophobicContact CE2-CG 4.12Å; W25-Y36 AromaticContact CH2-CD1 3.4Å; W25-Y36 HydrophobicContact CH2-CD1 3.4Å; W25-Y36 VanDerWaalsContact CH2-CD1 3.4Å; W25-Y36 AromaticContact CH2-CE1 3.86Å; W25-Y36 HydrophobicContact CH2-CE1 3.86Å; W25-Y36 HydrophobicContact CH2-CG 4.1Å; W25-Y36 AromaticContact CZ3-CD1 3.3Å; W25-Y36 HydrophobicContact CZ3-CD1 3.3Å; W25-Y36 HydrophobicContact CZ3-CD2 4.39Å; W25-Y36 AromaticContact CZ3-CE1 3.58Å; W25-Y36 HydrophobicContact CZ3-CE1 3.58Å; W25-Y36 AromaticContact CZ3-CG 3.7Å; W25-Y36 HydrophobicContact CZ3-CG 3.7Å; Q32-Y36 WeakPolarHBondContact O-CB 2.79Å; Q32-Y36 PolarHBondContact O-N 3.07Å; K33-Y36 PolarHBondContact O-N 3.19Å; D34-Y36 PolarHBondContact O-N 3.24Å; Y36-V39 PolarHBondContact O-N 3.3Å; Y36-M40 HydrophobicContact CD1-CG 4.23Å; Y36-M40 HydrophobicContact CD2-CG 3.96Å; Y36-M40 HydrophobicContact CE1-CG 4.02Å; Y36-M40 HydrophobicContact CE2-CG 3.74Å; Y36-M40 HydrophobicContact CE2-SD 4.17Å; Y36-M40 HydrophobicContact CG-CG 4.26Å; Y36-M40 WeakPolarHBondContact O-CB 3.45Å; Y36-M40 WeakPolarHBondContact O-CG 3.44Å; Y36-M40 PolarHBondContact O-N 2.88Å; Y36-L63 HydrophobicContact CD1-CD2 4.43Å; Y36-L63 HydrophobicContact CE1-CD1 4.32Å; Y36-L63 HydrophobicContact CE1-CD2 4.36Å
37	R	61.6	Low	54.9	Low	40 Å²	40	68.9 Å²	68.9	15%	0.151	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-50	177.2	178	-180	-170.8	-124.8	4.3	111.7	K33 D34 L35 V39 M40 L41 L63 E64	K33-R37 PolarHBondContact O-N 3.2Å; K33-R37 VanDerWaalsContact O-N 3.08Å; D34-R37 WeakPolarHBondContact O-CB 3.45Å; D34-R37 PolarHBondContact O-N 3.03Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.13Å; R37-V39 PolarHBondContact O-N 3.44Å; R37-M40 PolarHBondContact O-N 3.32Å; R37-L41 HydrophobicContact CG-CD1 4.01Å; R37-L41 WeakPolarHBondContact O-CB 3.37Å; R37-L41 VanDerWaalsContact O-CG 3.29Å; R37-L41 WeakPolarHBondContact O-CG 3.39Å; R37-L41 PolarHBondContact O-N 3.02Å; R37-L63 HydrophobicContact CB-CD2 4.07Å; R37-L63 HydrophobicContact CG-CB 4.3Å; R37-L63 HydrophobicContact CG-CD2 4.06Å; R37-L63 VanDerWaalsContact CZ-O 3.28Å; R37-L63 PolarHBondContact NE-O 2.94Å; R37-L63 PolarHBondContact NH2-O 3.17Å; R37-E64 PolarHBondContact NH2-O 3.41Å
38	D	54.5	Low	55.2	Low	86 Å²	86	64.7 Å²	64.7	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-47	-179.5	-79.6	-12.3	0	0	0	111.7	D34 L35 M40 L41 E42	D34-D38 PolarHBondContact O-N 3.28Å; L35-D38 PolarHBondContact O-N 3.07Å; D38-M40 PolarHBondContact O-N 3.34Å; D38-L41 PolarHBondContact O-N 3.19Å; D38-E42 VanDerWaalsContact O-CB 3.26Å; D38-E42 WeakPolarHBondContact O-CB 3.35Å; D38-E42 PolarHBondContact O-N 2.89Å
39	V	57.3	Low	55.4	Low	58 Å²	58	70 Å²	70	35%	0.352	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-43.1	-179.8	171.8	0	0	0	0	111.5	L35 Y36 R37 E42 N43	L35-V39 HydrophobicContact CD1-CG2 4.18Å; L35-V39 HydrophobicContact CG-CG2 4.45Å; L35-V39 WeakPolarHBondContact O-CB 3.46Å; L35-V39 VanDerWaalsContact O-CG2 3.26Å; L35-V39 WeakPolarHBondContact O-CG2 3.5Å; L35-V39 PolarHBondContact O-N 2.89Å; Y36-V39 PolarHBondContact O-N 3.3Å; R37-V39 PolarHBondContact O-N 3.44Å; V39-E42 PolarHBondContact O-N 2.85Å; V39-N43 WeakPolarHBondContact O-CB 3.44Å; V39-N43 PolarHBondContact O-N 3.26Å; V39-N43 PolarHBondContact O-OD1 2.8Å
40	M	61.9	Low	55.1	Low	2 Å²	2	71.8 Å²	71.8	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-69.6	-39.1	-178.3	-69.2	-63.1	-76.9	0	0	112.4	F13 A17 M18 Y36 R37 D38 Y44 V59 I60 L63	F13-M40 HydrophobicContact CE1-CE 3.98Å; F13-M40 HydrophobicContact CZ-CE 3.89Å; A17-M40 HydrophobicContact CB-CE 3.55Å; A17-M40 HydrophobicContact CB-SD 4.4Å; M18-M40 WeakPolarHBondContact O-CE 3.36Å; Y36-M40 HydrophobicContact CD1-CG 4.23Å; Y36-M40 HydrophobicContact CD2-CG 3.96Å; Y36-M40 HydrophobicContact CE1-CG 4.02Å; Y36-M40 HydrophobicContact CE2-CG 3.74Å; Y36-M40 HydrophobicContact CE2-SD 4.17Å; Y36-M40 HydrophobicContact CG-CG 4.26Å; Y36-M40 WeakPolarHBondContact O-CB 3.45Å; Y36-M40 WeakPolarHBondContact O-CG 3.44Å; Y36-M40 PolarHBondContact O-N 2.88Å; R37-M40 PolarHBondContact O-N 3.32Å; D38-M40 PolarHBondContact O-N 3.34Å; M40-Y44 PolarHBondContact O-N 3Å; M40-Y44 VanDerWaalsContact O-N 3.14Å; M40-V59 HydrophobicContact CE-CG1 4.49Å; M40-I60 HydrophobicContact CB-CD1 4.41Å; M40-I60 VanDerWaalsContact O-CD1 3.31Å; M40-I60 WeakPolarHBondContact O-CD1 3.48Å; M40-L63 HydrophobicContact CB-CD1 3.64Å; M40-L63 HydrophobicContact CG-CD1 4.35Å
41	L	65	Low	54.9	Low	13 Å²	13	66.4 Å²	66.4	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-69.1	-36.2	174.6	-67	178.8	0	0	0	112.1	R37 D38 R45 I60 L63 E64	R37-L41 HydrophobicContact CG-CD1 4.01Å; R37-L41 WeakPolarHBondContact O-CB 3.37Å; R37-L41 VanDerWaalsContact O-CG 3.29Å; R37-L41 WeakPolarHBondContact O-CG 3.39Å; R37-L41 PolarHBondContact O-N 3.02Å; D38-L41 PolarHBondContact O-N 3.19Å; L41-R45 WeakPolarHBondContact O-CD 3.45Å; L41-R45 VanDerWaalsContact O-CG 3.22Å; L41-R45 WeakPolarHBondContact O-CG 3.25Å; L41-R45 PolarHBondContact O-N 3.4Å; L41-R45 VanDerWaalsContact O-N 3.09Å; L41-I60 HydrophobicContact CD2-CD1 4.17Å; L41-I60 HydrophobicContact CD2-CG2 3.84Å; L41-L63 HydrophobicContact CD2-CB 4.05Å; L41-L63 HydrophobicContact CG-CB 4.36Å; L41-E64 HydrophobicContact CD1-CG 4.42Å; L41-E64 HydrophobicContact CD2-CG 3.67Å
42	E	57.4	Low	55	Low	115 Å²	115	66.9 Å²	66.9	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-44.3	175.7	-174.5	167.8	-163.5	0	0	111.7	D38 V39 Y44 R45 N46	D38-E42 VanDerWaalsContact O-CB 3.26Å; D38-E42 WeakPolarHBondContact O-CB 3.35Å; D38-E42 PolarHBondContact O-N 2.89Å; V39-E42 PolarHBondContact O-N 2.85Å; E42-Y44 VanDerWaalsContact C-N 3.34Å; E42-Y44 PolarHBondContact O-N 3.23Å; E42-R45 PolarHBondContact O-N 3.22Å; E42-N46 WeakPolarHBondContact O-CB 3.3Å; E42-N46 VanDerWaalsContact O-CG 3.26Å; E42-N46 PolarHBondContact O-N 3.4Å; E42-N46 PolarHBondContact O-ND2 2.81Å
43	N	52.2	Low	55.1	Low	48 Å²	48	72 Å²	72	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-44	175.9	-73.8	-3.6	0	0	0	111.7	V16 V39 N46 M47	V16-N43 PolarHBondContact O-ND2 2.96Å; V39-N43 WeakPolarHBondContact O-CB 3.44Å; V39-N43 PolarHBondContact O-N 3.26Å; V39-N43 PolarHBondContact O-OD1 2.8Å; N43-N46 PolarHBondContact O-N 3.39Å; N43-M47 VanDerWaalsContact O-CG 3.29Å; N43-M47 WeakPolarHBondContact O-CG 3.41Å; N43-M47 PolarHBondContact O-N 3.27Å
44	Y	62.5	Low	55	Low	32 Å²	32	72.7 Å²	72.7	13%	0.125	37%	0.373	C	S	.	.	H	α-helix	trans	-61.9	-46.2	176.2	176.4	-108.2	0	0	0	111.9	F13 M40 E42 N46 M47 V48 F54 K56 P57 I60	F13-Y44 HydrophobicContact CD2-CD2 4.16Å; F13-Y44 HydrophobicContact CE2-CD2 4.3Å; F13-Y44 HydrophobicContact CE2-CG 4.48Å; M40-Y44 PolarHBondContact O-N 3Å; M40-Y44 VanDerWaalsContact O-N 3.14Å; E42-Y44 VanDerWaalsContact C-N 3.34Å; E42-Y44 PolarHBondContact O-N 3.23Å; Y44-N46 VanDerWaalsContact C-N 3.33Å; Y44-N46 PolarHBondContact O-N 2.97Å; Y44-M47 PolarHBondContact O-N 2.97Å; Y44-V48 HydrophobicContact CD1-CG2 4.43Å; Y44-V48 HydrophobicContact CD2-CG2 4.43Å; Y44-V48 HydrophobicContact CE1-CG2 3.99Å; Y44-V48 HydrophobicContact CE2-CG2 3.95Å; Y44-V48 WeakPolarHBondContact O-CG2 3.37Å; Y44-V48 PolarHBondContact O-N 3.05Å; Y44-F54 AromaticContact CD2-CE2 3.67Å; Y44-F54 HydrophobicContact CD2-CE2 3.67Å; Y44-F54 AromaticContact CD2-CZ 3.74Å; Y44-F54 HydrophobicContact CD2-CZ 3.74Å; Y44-F54 HydrophobicContact CE2-CD2 4.29Å; Y44-F54 AromaticContact CE2-CE2 3.4Å; Y44-F54 HydrophobicContact CE2-CE2 3.4Å; Y44-F54 AromaticContact CE2-CZ 3.65Å; Y44-F54 HydrophobicContact CE2-CZ 3.65Å; Y44-K56 HydrophobicContact CE1-CD 4.32Å; Y44-K56 HydrophobicContact CE1-CG 4.12Å; Y44-K56 HydrophobicContact CE2-CG 4.35Å; Y44-K56 WeakPolarHBondContact OH-CB 3.5Å; Y44-K56 WeakPolarHBondContact OH-CG 3.42Å; Y44-P57 HydrophobicContact CD2-CG 4.3Å; Y44-P57 HydrophobicContact CE2-CG 4.34Å; Y44-I60 HydrophobicContact CD1-CG1 4.43Å; Y44-I60 HydrophobicContact CD1-CG2 3.54Å; Y44-I60 HydrophobicContact CD2-CG1 4.09Å; Y44-I60 HydrophobicContact CE1-CG2 3.94Å; Y44-I60 HydrophobicContact CG-CB 4.41Å; Y44-I60 HydrophobicContact CG-CD1 4.27Å; Y44-I60 HydrophobicContact CG-CG1 3.86Å; Y44-I60 HydrophobicContact CG-CG2 3.86Å
45	R	63.8	Low	55.2	Low	131 Å²	131	75.2 Å²	75.2	49%	0.494	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-41.5	178.1	-73.6	168.5	-176	174.4	5.1	111.9	L41 E42 M47 V48 L49	L41-R45 WeakPolarHBondContact O-CD 3.45Å; L41-R45 VanDerWaalsContact O-CG 3.22Å; L41-R45 WeakPolarHBondContact O-CG 3.25Å; L41-R45 PolarHBondContact O-N 3.4Å; L41-R45 VanDerWaalsContact O-N 3.09Å; E42-R45 PolarHBondContact O-N 3.22Å; R45-M47 VanDerWaalsContact C-N 3.33Å; R45-M47 PolarHBondContact O-N 3.4Å; R45-V48 PolarHBondContact O-N 2.84Å; R45-L49 WeakPolarHBondContact O-CB 3.31Å; R45-L49 VanDerWaalsContact O-CG 3.26Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 2.87Å
46	N	52	Low	56.1	Low	70 Å²	70	73.5 Å²	73.5	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-39.6	177.6	-72.1	-24.2	0	0	0	111.7	E42 N43 Y44 L49 L50	E42-N46 WeakPolarHBondContact O-CB 3.3Å; E42-N46 VanDerWaalsContact O-CG 3.26Å; E42-N46 PolarHBondContact O-N 3.4Å; E42-N46 PolarHBondContact O-ND2 2.81Å; N43-N46 PolarHBondContact O-N 3.39Å; Y44-N46 VanDerWaalsContact C-N 3.33Å; Y44-N46 PolarHBondContact O-N 2.97Å; N46-L49 PolarHBondContact O-N 3.49Å; N46-L50 WeakPolarHBondContact O-CB 3.49Å; N46-L50 VanDerWaalsContact O-CG 3.24Å; N46-L50 WeakPolarHBondContact O-CG 3.34Å; N46-L50 PolarHBondContact O-N 3.38Å
47	M	50	Low	56.6	Low	12 Å²	12	73.8 Å²	73.8	6%	0.059	39%	0.385	C	S	.	.	H	α-helix	trans	-67.1	-39.7	175.2	-67.1	-128.1	-65.1	0	0	112.9	F13 V16 N43 Y44 R45 L49 L50 F52 F54	F13-M47 HydrophobicContact CB-CE 3.51Å; F13-M47 HydrophobicContact CD2-CE 3.63Å; F13-M47 HydrophobicContact CG-CE 4.05Å; V16-M47 HydrophobicContact CG2-CE 3.75Å; V16-M47 HydrophobicContact CG2-CG 4.22Å; V16-M47 HydrophobicContact CG2-SD 3.72Å; N43-M47 VanDerWaalsContact O-CG 3.29Å; N43-M47 WeakPolarHBondContact O-CG 3.41Å; N43-M47 PolarHBondContact O-N 3.27Å; Y44-M47 PolarHBondContact O-N 2.97Å; R45-M47 VanDerWaalsContact C-N 3.33Å; R45-M47 PolarHBondContact O-N 3.4Å; M47-L49 VanDerWaalsContact C-N 3.32Å; M47-L49 PolarHBondContact O-N 3.4Å; M47-L50 PolarHBondContact O-N 3.45Å; M47-F52 WeakPolarHBondContact O-CB 3.45Å; M47-F52 WeakPolarHBondContact O-CD2 3.31Å; M47-F52 PolarHBondContact O-N 3.24Å; M47-F54 HydrophobicContact CB-CE1 4.1Å; M47-F54 HydrophobicContact CB-CZ 4.07Å; M47-F54 HydrophobicContact CE-CE1 3.98Å; M47-F54 HydrophobicContact CE-CE2 4.43Å; M47-F54 HydrophobicContact CE-CZ 3.65Å
48	V	56.4	Low	56.7	Low	71 Å²	71	78.3 Å²	78.3	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-40	173.3	174.8	0	0	0	0	111.1	Y44 R45 L50 G51	Y44-V48 HydrophobicContact CD1-CG2 4.43Å; Y44-V48 HydrophobicContact CD2-CG2 4.43Å; Y44-V48 HydrophobicContact CE1-CG2 3.99Å; Y44-V48 HydrophobicContact CE2-CG2 3.95Å; Y44-V48 WeakPolarHBondContact O-CG2 3.37Å; Y44-V48 PolarHBondContact O-N 3.05Å; R45-V48 PolarHBondContact O-N 2.84Å; V48-L50 VanDerWaalsContact C-N 3.31Å; V48-L50 PolarHBondContact O-N 3.32Å; V48-G51 PolarHBondContact O-N 3.12Å; V48-G51 VanDerWaalsContact O-N 3.1Å
49	L	51.3	Low	57.1	Low	142 Å²	142	75.7 Å²	75.7	74%	0.743	40%	0.395	S	S	*	.	H	α-helix	trans	-66.7	-30.2	176.8	-74	171.5	0	0	0	113.4	R45 N46 M47 G51	R45-L49 WeakPolarHBondContact O-CB 3.31Å; R45-L49 VanDerWaalsContact O-CG 3.26Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 2.87Å; N46-L49 PolarHBondContact O-N 3.49Å; M47-L49 VanDerWaalsContact C-N 3.32Å; M47-L49 PolarHBondContact O-N 3.4Å; L49-G51 PolarHBondContact O-N 3.27Å
50	L	46.3	Very low	57.8	Low	132 Å²	132	72.9 Å²	72.9	69%	0.691	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	3.6	173.9	-69.3	170.7	0	0	0	113	N46 M47 V48 F52	N46-L50 WeakPolarHBondContact O-CB 3.49Å; N46-L50 VanDerWaalsContact O-CG 3.24Å; N46-L50 WeakPolarHBondContact O-CG 3.34Å; N46-L50 PolarHBondContact O-N 3.38Å; M47-L50 PolarHBondContact O-N 3.45Å; V48-L50 VanDerWaalsContact C-N 3.31Å; V48-L50 PolarHBondContact O-N 3.32Å; L50-F52 HydrophobicContact CB-CD2 3.73Å; L50-F52 HydrophobicContact CB-CE2 3.7Å; L50-F52 HydrophobicContact CD1-CE2 4.37Å
51	G	42.9	Very low	58.2	Low	59 Å²	59	75 Å²	75	61%	0.608	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	12.7	172.9	0	0	0	0	0	114.5	V48 L49 Q53	V48-G51 PolarHBondContact O-N 3.12Å; V48-G51 VanDerWaalsContact O-N 3.1Å; L49-G51 PolarHBondContact O-N 3.27Å; G51-Q53 PolarHBondContact O-N 2.84Å
52	F	48.3	Very low	58	Low	57 Å²	57	77.3 Å²	77.3	25%	0.25	40%	0.403	C	S	.	.			trans	-76.1	120.1	175.3	-66	-85.5	0	0	0	110	L11 M47 L50 F54	L11-F52 HydrophobicContact CB-CE1 4.31Å; L11-F52 HydrophobicContact CB-CZ 4.2Å; L11-F52 HydrophobicContact CD1-CZ 4.42Å; M47-F52 WeakPolarHBondContact O-CB 3.45Å; M47-F52 WeakPolarHBondContact O-CD2 3.31Å; M47-F52 PolarHBondContact O-N 3.24Å; L50-F52 HydrophobicContact CB-CD2 3.73Å; L50-F52 HydrophobicContact CB-CE2 3.7Å; L50-F52 HydrophobicContact CD1-CE2 4.37Å; F52-F54 HydrophobicContact CB-CD1 3.87Å; F52-F54 HydrophobicContact CB-CE1 3.72Å
53	Q	50.8	Low	58.4	Low	198 Å²	198	72.8 Å²	72.8	93%	0.925	38%	0.382	S	S	*	.			trans	-99.7	111.2	175	-67.1	-171.5	8	0	0	109.7	G51	G51-Q53 PolarHBondContact O-N 2.84Å
54	F	55	Low	59.1	Low	62 Å²	62	74 Å²	74	27%	0.272	39%	0.386	S	S	.	.			trans	-145	155.1	174.3	53	-82.8	0	0	0	110.1	F13 Y44 M47 F52 K56 P57	F13-F54 HydrophobicContact CB-CE2 3.91Å; F13-F54 HydrophobicContact CB-CZ 4.31Å; F13-F54 HydrophobicContact CD2-CE2 4.43Å; F13-F54 HydrophobicContact CD2-CZ 4.48Å; F13-F54 HydrophobicContact CG-CE2 4.37Å; Y44-F54 AromaticContact CD2-CE2 3.67Å; Y44-F54 HydrophobicContact CD2-CE2 3.67Å; Y44-F54 AromaticContact CD2-CZ 3.74Å; Y44-F54 HydrophobicContact CD2-CZ 3.74Å; Y44-F54 HydrophobicContact CE2-CD2 4.29Å; Y44-F54 AromaticContact CE2-CE2 3.4Å; Y44-F54 HydrophobicContact CE2-CE2 3.4Å; Y44-F54 AromaticContact CE2-CZ 3.65Å; Y44-F54 HydrophobicContact CE2-CZ 3.65Å; M47-F54 HydrophobicContact CB-CE1 4.1Å; M47-F54 HydrophobicContact CB-CZ 4.07Å; M47-F54 HydrophobicContact CE-CE1 3.98Å; M47-F54 HydrophobicContact CE-CE2 4.43Å; M47-F54 HydrophobicContact CE-CZ 3.65Å; F52-F54 HydrophobicContact CB-CD1 3.87Å; F52-F54 HydrophobicContact CB-CE1 3.72Å; F54-K56 PolarHBondContact O-N 2.92Å; F54-P57 HydrophobicContact CD2-CG 4.19Å; F54-P57 HydrophobicContact CE2-CG 3.81Å
55	P	58.9	Low	59	Low	119 Å²	119	78.6 Å²	78.6	77%	0.773	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-55.6	134.6	173	-17.8	29.4	0	0	0	109.1	P57	P55-P57 WeakPolarHBondContact O-CD 3.32Å; P55-P57 VanDerWaalsContact O-N 3.14Å
56	K	69.2	Low	58.7	Low	77 Å²	77	78.6 Å²	78.6	34%	0.335	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-56.1	120.9	179.9	-174.2	169.2	-175.8	172.3	0	109.7	Y44 F54 I60 C61 E64	Y44-K56 HydrophobicContact CE1-CD 4.32Å; Y44-K56 HydrophobicContact CE1-CG 4.12Å; Y44-K56 HydrophobicContact CE2-CG 4.35Å; Y44-K56 WeakPolarHBondContact OH-CB 3.5Å; Y44-K56 WeakPolarHBondContact OH-CG 3.42Å; F54-K56 PolarHBondContact O-N 2.92Å; K56-I60 HydrophobicContact CD-CG2 4.4Å; K56-I60 HydrophobicContact CG-CB 4.31Å; K56-I60 HydrophobicContact CG-CG2 4.16Å; K56-C61 VanDerWaalsContact CD-SG 3.53Å; K56-C61 VanDerWaalsContact CG-SG 3.57Å; K56-E64 WeakPolarHBondContact CE-OE1 3.49Å; K56-E64 IonicContact NZ-OE1 2.8Å; K56-E64 PolarHBondContact NZ-OE1 3.46Å; K56-E64 IonicContact NZ-OE2 2.54Å; K56-E64 PolarHBondContact NZ-OE2 3.13Å
57	P	70.4	Confident	58.7	Low	26 Å²	26	79.5 Å²	79.5	17%	0.169	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-60.8	140.5	-178.5	-23.2	32.8	0	0	0	110.8	F13 Y44 F54 P55 V59 I60 C61	F13-P57 HydrophobicContact CB-CG 4.09Å; F13-P57 HydrophobicContact CD1-CB 3.97Å; F13-P57 HydrophobicContact CD1-CG 3.63Å; F13-P57 HydrophobicContact CD2-CG 4.39Å; F13-P57 HydrophobicContact CE1-CB 4.27Å; F13-P57 HydrophobicContact CE1-CG 4.2Å; F13-P57 HydrophobicContact CG-CG 3.76Å; Y44-P57 HydrophobicContact CD2-CG 4.3Å; Y44-P57 HydrophobicContact CE2-CG 4.34Å; F54-P57 HydrophobicContact CD2-CG 4.19Å; F54-P57 HydrophobicContact CE2-CG 3.81Å; P55-P57 WeakPolarHBondContact O-CD 3.32Å; P55-P57 VanDerWaalsContact O-N 3.14Å; P57-V59 PolarHBondContact O-N 3.27Å; P57-I60 HydrophobicContact CB-CG1 4.18Å; P57-I60 HydrophobicContact CG-CG1 4.28Å; P57-I60 WeakPolarHBondContact O-CA 3.2Å; P57-I60 WeakPolarHBondContact O-CB 3.48Å; P57-I60 PolarHBondContact O-N 3.11Å; P57-C61 PolarHBondContact O-N 3.2Å
58	E	64.1	Low	58.7	Low	135 Å²	135	84.7 Å²	84.7	63%	0.631	44%	0.442	S	S	*	.	H	α-helix	trans	-57.9	-38.4	-175.9	-168.3	174.7	177.5	0	0	112.3	I60 C61 Q62	E58-I60 VanDerWaalsContact C-N 3.25Å; E58-I60 PolarHBondContact O-N 2.9Å; E58-C61 WeakPolarHBondContact O-CB 3.33Å; E58-C61 PolarHBondContact O-N 2.92Å; E58-C61 VanDerWaalsContact O-N 3.14Å; E58-Q62 VanDerWaalsContact O-CG 3.32Å; E58-Q62 WeakPolarHBondContact O-CG 3.49Å; E58-Q62 PolarHBondContact O-N 2.77Å; E58-Q62 PolarHBondContact OE1-NE2 3.24Å
59	V	64.2	Low	58	Low	30 Å²	30	89.1 Å²	89.1	18%	0.182	46%	0.458	C	S	.	.	H	α-helix	trans	-56.9	-36.8	173.6	175.2	0	0	0	0	112.2	Y19 M40 P57 L63	Y19-V59 HydrophobicContact CE1-CG2 4.14Å; M40-V59 HydrophobicContact CE-CG1 4.49Å; P57-V59 PolarHBondContact O-N 3.27Å; V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 2.91Å
60	I	72.1	Confident	57.8	Low	0 Å²	0	86.4 Å²	86.4	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-72.9	-41.8	177.7	-61.6	-58.7	0	0	0	111	F13 M40 L41 Y44 K56 P57 E58 Q62 L63 E64	F13-I60 HydrophobicContact CE1-CD1 4.23Å; F13-I60 HydrophobicContact CE1-CG1 4.18Å; F13-I60 HydrophobicContact CE2-CD1 4.15Å; F13-I60 HydrophobicContact CE2-CG1 4.34Å; F13-I60 HydrophobicContact CZ-CD1 3.57Å; F13-I60 HydrophobicContact CZ-CG1 3.88Å; M40-I60 HydrophobicContact CB-CD1 4.41Å; M40-I60 VanDerWaalsContact O-CD1 3.31Å; M40-I60 WeakPolarHBondContact O-CD1 3.48Å; L41-I60 HydrophobicContact CD2-CD1 4.17Å; L41-I60 HydrophobicContact CD2-CG2 3.84Å; Y44-I60 HydrophobicContact CD1-CG1 4.43Å; Y44-I60 HydrophobicContact CD1-CG2 3.54Å; Y44-I60 HydrophobicContact CD2-CG1 4.09Å; Y44-I60 HydrophobicContact CE1-CG2 3.94Å; Y44-I60 HydrophobicContact CG-CB 4.41Å; Y44-I60 HydrophobicContact CG-CD1 4.27Å; Y44-I60 HydrophobicContact CG-CG1 3.86Å; Y44-I60 HydrophobicContact CG-CG2 3.86Å; K56-I60 HydrophobicContact CD-CG2 4.4Å; K56-I60 HydrophobicContact CG-CB 4.31Å; K56-I60 HydrophobicContact CG-CG2 4.16Å; P57-I60 HydrophobicContact CB-CG1 4.18Å; P57-I60 HydrophobicContact CG-CG1 4.28Å; P57-I60 WeakPolarHBondContact O-CA 3.2Å; P57-I60 WeakPolarHBondContact O-CB 3.48Å; P57-I60 PolarHBondContact O-N 3.11Å; E58-I60 VanDerWaalsContact C-N 3.25Å; E58-I60 PolarHBondContact O-N 2.9Å; I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 2.88Å; I60-L63 PolarHBondContact O-N 3.2Å; I60-E64 WeakPolarHBondContact O-CG 3.33Å; I60-E64 PolarHBondContact O-N 3.13Å; I60-E64 VanDerWaalsContact O-N 3.07Å
61	C	69.4	Low	57.8	Low	47 Å²	47	82.5 Å²	82.5	32%	0.318	42%	0.417	S	S	.	.	H	α-helix	trans	-58.7	-41.5	174.8	-67.2	0	0	0	0	111.8	K56 P57 E58 N65	K56-C61 VanDerWaalsContact CD-SG 3.53Å; K56-C61 VanDerWaalsContact CG-SG 3.57Å; P57-C61 PolarHBondContact O-N 3.2Å; E58-C61 WeakPolarHBondContact O-CB 3.33Å; E58-C61 PolarHBondContact O-N 2.92Å; E58-C61 VanDerWaalsContact O-N 3.14Å; C61-N65 PolarHBondContact O-N 3.14Å; C61-N65 PolarHBondContact O-ND2 3.13Å
62	Q	60.8	Low	57.6	Low	61 Å²	61	85.6 Å²	85.6	29%	0.285	42%	0.419	S	S	.	.	H	α-helix	trans	-74.2	-41	-178.5	-67.9	170	-6.1	0	0	112.4	E58 I60 E64 N65 W66	E58-Q62 VanDerWaalsContact O-CG 3.32Å; E58-Q62 WeakPolarHBondContact O-CG 3.49Å; E58-Q62 PolarHBondContact O-N 2.77Å; E58-Q62 PolarHBondContact OE1-NE2 3.24Å; I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 2.88Å; Q62-E64 VanDerWaalsContact C-N 3.3Å; Q62-E64 PolarHBondContact O-N 3.05Å; Q62-N65 PolarHBondContact O-N 3.01Å; Q62-W66 PolarHBondContact O-N 3.31Å
63	L	65.1	Low	57.5	Low	19 Å²	19	90 Å²	90	10%	0.099	45%	0.445	C	S	.	.	H	α-helix	trans	-62.6	-35.6	174.5	-75.2	174.4	0	0	0	112.1	Y36 R37 M40 L41 V59 I60 W66	Y36-L63 HydrophobicContact CD1-CD2 4.43Å; Y36-L63 HydrophobicContact CE1-CD1 4.32Å; Y36-L63 HydrophobicContact CE1-CD2 4.36Å; R37-L63 HydrophobicContact CB-CD2 4.07Å; R37-L63 HydrophobicContact CG-CB 4.3Å; R37-L63 HydrophobicContact CG-CD2 4.06Å; R37-L63 VanDerWaalsContact CZ-O 3.28Å; R37-L63 PolarHBondContact NE-O 2.94Å; R37-L63 PolarHBondContact NH2-O 3.17Å; M40-L63 HydrophobicContact CB-CD1 3.64Å; M40-L63 HydrophobicContact CG-CD1 4.35Å; L41-L63 HydrophobicContact CD2-CB 4.05Å; L41-L63 HydrophobicContact CG-CB 4.36Å; V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 2.91Å; I60-L63 PolarHBondContact O-N 3.2Å; L63-W66 PolarHBondContact O-N 3.49Å
64	E	67.5	Low	56.9	Low	74 Å²	74	87.6 Å²	87.6	35%	0.346	44%	0.438	S	S	.	.	H	α-helix	trans	-66.1	-39.5	175.4	-76.2	179.6	179.6	0	0	112.7	R37 L41 K56 I60 Q62 W66	R37-E64 PolarHBondContact NH2-O 3.41Å; L41-E64 HydrophobicContact CD1-CG 4.42Å; L41-E64 HydrophobicContact CD2-CG 3.67Å; K56-E64 WeakPolarHBondContact CE-OE1 3.49Å; K56-E64 IonicContact NZ-OE1 2.8Å; K56-E64 PolarHBondContact NZ-OE1 3.46Å; K56-E64 IonicContact NZ-OE2 2.54Å; K56-E64 PolarHBondContact NZ-OE2 3.13Å; I60-E64 WeakPolarHBondContact O-CG 3.33Å; I60-E64 PolarHBondContact O-N 3.13Å; I60-E64 VanDerWaalsContact O-N 3.07Å; Q62-E64 VanDerWaalsContact C-N 3.3Å; Q62-E64 PolarHBondContact O-N 3.05Å; E64-W66 VanDerWaalsContact C-N 3.3Å
65	N	61.6	Low	56	Low	128 Å²	128	90.4 Å²	90.4	68%	0.684	46%	0.463	S	S	*	.	H	α-helix	trans	-81.5	-10	-179.6	-66.1	-17.5	0	0	0	113.5	C61 Q62 D67	C61-N65 PolarHBondContact O-N 3.14Å; C61-N65 PolarHBondContact O-ND2 3.13Å; Q62-N65 PolarHBondContact O-N 3.01Å; N65-D67 PolarHBondContact O-N 3.18Å
66	W	55.9	Low	54.6	Low	132 Å²	132	96.5 Å²	96.5	50%	0.5	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.5	-179.6	-142.5	-25.6	0	0	0	113.5	D34 Q62 L63 E64	D34-W66 WeakPolarHBondContact OD1-CH2 3.37Å; D34-W66 WeakPolarHBondContact OD1-CZ2 3.46Å; Q62-W66 PolarHBondContact O-N 3.31Å; L63-W66 PolarHBondContact O-N 3.49Å; E64-W66 VanDerWaalsContact C-N 3.3Å
67	D	52.9	Low	52.8	Low	89 Å²	89	97.9 Å²	97.9	48%	0.476	50%	0.496	S	S	.	.			trans	-86.8	114.2	178.3	-156	-17.1	0	0	0	109.6	N65 Q69	N65-D67 PolarHBondContact O-N 3.18Å; D67-Q69 PolarHBondContact O-N 2.67Å; D67-Q69 WeakPolarHBondContact OD1-CG 3.49Å
68	E	49.4	Very low	51	Low	121 Å²	121	99.9 Å²	99.9	57%	0.565	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-76.6	0.3	-177.2	-65.1	-169.7	150.9	0	0	113.4	W30 W70	W30-E68 WeakPolarHBondContact CH2-OE1 3.35Å; E68-W70 VanDerWaalsContact C-N 3.27Å; E68-W70 PolarHBondContact O-N 3.41Å; E68-W70 VanDerWaalsContact O-N 3.14Å
69	Q	41.5	Very low	49.3	Very low	164 Å²	164	99.3 Å²	99.3	77%	0.766	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-72.1	-2.4	-170	-78.2	-175.4	-11	0	0	116.5	D67 I71	D67-Q69 PolarHBondContact O-N 2.67Å; D67-Q69 WeakPolarHBondContact OD1-CG 3.49Å; Q69-I71 PolarHBondContact O-N 2.97Å
70	W	48.3	Very low	48	Very low	84 Å²	84	109.8 Å²	109.8	32%	0.318	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-81	0.8	-172.1	66.9	-88.3	0	0	0	116.4	W25 E68 L72	W25-W70 HydrophobicContact CD2-CH2 4.22Å; W25-W70 AromaticContact CD2-CZ2 3.95Å; W25-W70 HydrophobicContact CD2-CZ2 3.95Å; W25-W70 AromaticContact CE2-CZ2 3.82Å; W25-W70 HydrophobicContact CE3-CZ2 4.4Å; W25-W70 HydrophobicContact CG-CH2 4.29Å; W25-W70 HydrophobicContact CG-CZ2 4.27Å; W25-W70 HydrophobicContact CZ2-CZ2 4.19Å; E68-W70 VanDerWaalsContact C-N 3.27Å; E68-W70 PolarHBondContact O-N 3.41Å; E68-W70 VanDerWaalsContact O-N 3.14Å; W70-L72 PolarHBondContact O-N 3.44Å
71	I	45	Very low	45.9	Very low	50 Å²	50	119.3 Å²	119.3	26%	0.256	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	56.5	173.8	-43.1	-170.1	0	0	0	111.5	R22 Q69	R22-I71 HydrophobicContact CB-CG2 3.97Å; R22-I71 HydrophobicContact CG-CG2 3.28Å; R22-I71 VanDerWaalsContact CZ-O 3.31Å; R22-I71 PolarHBondContact NH1-O 3.45Å; R22-I71 PolarHBondContact NH2-O 3.49Å; Q69-I71 PolarHBondContact O-N 2.97Å
72	L	39.6	Very low	44.2	Very low	124 Å²	124	122.2 Å²	122.2	65%	0.649	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	-26.4	161.7	-79.3	178.8	0	0	0	116.8	W70	W70-L72 PolarHBondContact O-N 3.44Å
73	D	46.4	Very low	42.7	Very low	150 Å²	150	124.9 Å²	124.9	80%	0.802	66%	0.663	S	S	*	*			trans	-151.8	102.7	-178.3	-72.4	-57.4	0	0	0	114.9
74	L	37.9	Very low	41.2	Very low	148 Å²	148	128 Å²	128	78%	0.775	70%	0.699	S	S	*	*			trans	-145.7	142.1	150.5	-86.6	178.1	0	0	0	111.6
75	P	35	Very low	39.4	Very low	121 Å²	121	130.5 Å²	130.5	79%	0.786	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-87.7	152.1	-164.4	-1.7	22	0	0	0	114	A77	P75-A77 PolarHBondContact O-N 3.08Å
76	R	30.7	Very low	37.9	Very low	247 Å²	247	128.5 Å²	128.5	93%	0.932	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-56.6	125.7	178.4	-150.3	178.5	-164.8	-168.2	4.3	112.3	G78	R76-G78 PolarHBondContact O-N 3.38Å
77	A	30.1	Very low	36.4	Very low	106 Å²	106	128 Å²	128	88%	0.876	74%	0.742	S	S	*	*	S	Bend	trans	-68.1	119.1	171.1	0	0	0	0	0	110.6	P75	P75-A77 PolarHBondContact O-N 3.08Å
78	G	33.1	Very low	35.3	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	76%	0.761	S	S	*	*			trans	154.4	51.6	164.1	0	0	0	0	0	117.7	R76	R76-G78 PolarHBondContact O-N 3.38Å
79	S	29	Very low	34.2	Very low	122 Å²	122	128 Å²	128	85%	0.853	77%	0.769	S	S	*	*			trans	-170.2	128.9	141.8	-2.5	0	0	0	0	111	K81	S79-K81 PolarHBondContact O-N 3.05Å
80	R	36.6	Very low	33.9	Very low	250 Å²	250	125.6 Å²	125.6	94%	0.943	77%	0.771	S	S	*	*			trans	-60.1	123.4	171.2	-72.1	177.1	-174.2	170.4	1.6	110.2
81	K	27.3	Very low	32.9	Very low	201 Å²	201	131.2 Å²	131.2	87%	0.874	80%	0.801	S	S	*	*			trans	-156.9	130.3	142.5	-102.4	177.6	-170.4	-178.7	0	109.3	S79	S79-K81 PolarHBondContact O-N 3.05Å
82	A	33.8	Very low	32.1	Very low	107 Å²	107	133 Å²	133	88%	0.884	82%	0.823	S	S	*	*			trans	-72	125.3	170.2	0	0	0	0	0	109.9
83	S	30.5	Very low	31.3	Very low	118 Å²	118	138.9 Å²	138.9	83%	0.825	84%	0.837	S	S	*	*			trans	-167.5	112.2	152.8	52.6	0	0	0	0	107.5
84	G	32.3	Very low	30.6	Very low	84 Å²	84	140.9 Å²	140.9	87%	0.866	84%	0.841	S	S	*	*			trans	-81.1	148.7	179.2	0	0	0	0	0	112.8
85	S	30.4	Very low	29.8	Very low	126 Å²	126	143.9 Å²	143.9	88%	0.881	85%	0.847	S	S	*	*			trans	-122.5	107.7	148.8	52.1	0	0	0	0	107.4
86	A	29.3	Very low	29.6	Very low	86 Å²	86	146.5 Å²	146.5	71%	0.711	85%	0.851	S	S	*	*			trans	-70.4	147.2	175.1	0	0	0	0	0	110.4
87	C	25.1	Very low	29.3	Very low	123 Å²	123	145.1 Å²	145.1	83%	0.831	85%	0.852	S	S	*	*	S	Bend	trans	-61.1	138	145.3	-75.5	0	0	0	0	107.6	G89	C87-G89 PolarHBondContact O-N 3.11Å
88	P	29.1	Very low	29.1	Very low	136 Å²	136	148.4 Å²	148.4	88%	0.883	85%	0.847	S	S	*	*	S	Bend	trans	-63.1	100.3	-161.1	22.5	-33.1	0	0	0	113.8
89	G	27.4	Very low	28.7	Very low	72 Å²	72	152.2 Å²	152.2	74%	0.742	85%	0.85	S	S	*	*				78.6	81.5	99.9	0	0	0	0	0	118.4	C87	C87-G89 PolarHBondContact O-N 3.11Å
90	S	35	Very low	28.5	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	85%	0.845	S	S	*	*			trans	-97.9	123.4	143.8	57.7	0	0	0	0	108.8
91	E	27.1	Very low	28.5	Very low	201 Å²	201	145.2 Å²	145.2	94%	0.939	83%	0.832	S	S	*	*			trans	-175.2	140.4	160.8	-103.1	175.1	-163.9	0	0	107.4
92	A	27.6	Very low	28.3	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	83%	0.829	S	S	*	*			cis	-166.9	166.7	-6.9	0	0	0	0	0	109.2
93	R	23.6	Very low	28.2	Very low	249 Å²	249	146.9 Å²	146.9	94%	0.94	82%	0.822	S	S	*	*			trans	86.3	126.4	156.7	-80.7	-178.1	-173.8	-146.8	-0.3	121.8
94	H	30.9	Very low	28.4	Very low	192 Å²	192	150 Å²	150	89%	0.889	82%	0.82	S	S	*	*			trans	-60.8	136.5	172.6	-74.3	43.9	0	0	0	114.1
95	K	22.5	Very low	28.1	Very low	210 Å²	210	156.3 Å²	156.3	91%	0.913	82%	0.824	S	S	*	*				-167.2	145.2	119.1	-106.3	178	-175.8	-178.8	0	111.3
96	M	30.6	Very low	28.1	Very low	177 Å²	177	154.5 Å²	154.5	87%	0.872	81%	0.812	S	S	*	*			trans	-52.9	138.3	-163.4	-63.3	160.2	83.6	0	0	116
97	K	24.8	Very low	28.2	Very low	217 Å²	217	158.6 Å²	158.6	94%	0.943	82%	0.816	S	S	*	*			trans	-147.3	136.9	131.9	-107.5	175.1	-174.8	179.1	0	110.2
98	K	25.9	Very low	28.3	Very low	176 Å²	176	159.2 Å²	159.2	77%	0.765	81%	0.811	S	S	*	*			trans	-96.2	150.9	-166.4	-134.8	179.3	-172.2	-178.1	0	109.6
99	L	23.9	Very low	28.4	Very low	148 Å²	148	158 Å²	158	78%	0.775	80%	0.797	S	S	*	*			trans	84.6	138.4	156.6	-51.1	151.2	0	0	0	116.7
100	T	25.2	Very low	28.6	Very low	120 Å²	120	161 Å²	161	74%	0.736	79%	0.791	S	S	*	*			cis	-171.5	-154.2	-11.4	38	0	0	0	0	105.5
101	P	35.4	Very low	28.4	Very low	105 Å²	105	159.3 Å²	159.3	68%	0.682	78%	0.78	S	S	*	*				-126.7	133.4	-104.3	36.1	-14.8	0	0	0	112.6
102	K	24.5	Very low	28.4	Very low	184 Å²	184	157.7 Å²	157.7	80%	0.8	77%	0.766	S	S	*	*			trans	-162.8	95.2	155.3	-109.4	156.1	-173.3	-168	0	108.7
103	Q	31	Very low	28.5	Very low	158 Å²	158	159.6 Å²	159.6	74%	0.738	76%	0.758	S	S	*	*				93.2	96.4	98.6	-86.2	178.2	-26.5	0	0	108.8
104	K	34.3	Very low	28.8	Very low	184 Å²	184	153 Å²	153	80%	0.8	74%	0.741	S	S	*	*				64.3	87.3	90.7	-81.4	-172	171.5	-172.6	0	110.1
105	F	26	Very low	28.6	Very low	216 Å²	216	146.3 Å²	146.3	95%	0.947	72%	0.716	S	S	*	*	S	Bend	trans	-174.6	72.5	153.8	-106.1	-74	0	0	0	108.2
106	S	31.3	Very low	28.9	Very low	88 Å²	88	139 Å²	139	62%	0.615	69%	0.689	S	S	*	*	S	Bend	trans	-167.9	-32.1	160.9	-163.9	0	0	0	0	113.9	D108 L109	S106-D108 VanDerWaalsContact C-N 3.31Å; S106-D108 PolarHBondContact O-N 3.1Å; S106-L109 PolarHBondContact O-N 2.97Å
107	E	30.1	Very low	28.8	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	67%	0.671	S	S	*	*	H	α-helix	trans	-74.9	-18.1	-173.3	-71.3	178.3	156.7	0	0	114.1	L109 S111	E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 3.46Å; E107-S111 PolarHBondContact O-N 3.21Å
108	D	29	Very low	28.9	Very low	136 Å²	136	130 Å²	130	73%	0.727	66%	0.655	S	S	*	*	H	α-helix	trans	-75.3	-20.1	177.2	-70.2	-33.5	0	0	0	112.7	S106 Y112	S106-D108 VanDerWaalsContact C-N 3.31Å; S106-D108 PolarHBondContact O-N 3.1Å; D108-Y112 WeakPolarHBondContact O-CB 3.21Å; D108-Y112 PolarHBondContact O-N 3.01Å; D108-Y112 VanDerWaalsContact O-N 3.13Å
109	L	29.4	Very low	29	Very low	111 Å²	111	128.2 Å²	128.2	58%	0.581	65%	0.649	S	S	*	*	H	α-helix	trans	-83.2	-29.8	-177	-152.4	76.2	0	0	0	113.1	S106 E107 K113	S106-L109 PolarHBondContact O-N 2.97Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 3.46Å; L109-K113 VanDerWaalsContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 WeakPolarHBondContact O-CD 3.37Å; L109-K113 WeakPolarHBondContact O-CG 3.26Å; L109-K113 PolarHBondContact O-N 3.47Å; L109-K113 VanDerWaalsContact O-N 3.15Å
110	E	33.3	Very low	29.3	Very low	134 Å²	134	126.1 Å²	126.1	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-85.7	-34.4	177.1	-88.2	161.3	153.2	0	0	112.4	I114	E110-I114 WeakPolarHBondContact O-CB 3.33Å; E110-I114 WeakPolarHBondContact O-CD1 3.35Å; E110-I114 WeakPolarHBondContact O-CG1 3.39Å; E110-I114 PolarHBondContact O-N 2.91Å
111	S	29.6	Very low	29.7	Very low	81 Å²	81	123 Å²	123	57%	0.566	62%	0.619	S	S	*	*	H	α-helix	trans	-68.7	-39.2	171	-174.8	0	0	0	0	112.3	E107 I114 S115	E107-S111 PolarHBondContact O-N 3.21Å; S111-I114 PolarHBondContact O-N 2.91Å; S111-S115 WeakPolarHBondContact O-CB 3.47Å; S111-S115 PolarHBondContact O-N 3.32Å; S111-S115 PolarHBondContact O-OG 3.32Å
112	Y	27.3	Very low	29.5	Very low	167 Å²	167	119.9 Å²	119.9	66%	0.655	60%	0.601	S	S	*	*	H	α-helix	trans	-71	-33.9	175.4	-159.7	-99.4	0	0	0	112.2	D108 S115 V116	D108-Y112 WeakPolarHBondContact O-CB 3.21Å; D108-Y112 PolarHBondContact O-N 3.01Å; D108-Y112 VanDerWaalsContact O-N 3.13Å; Y112-S115 WeakPolarHBondContact CA-OG 3.48Å; Y112-S115 PolarHBondContact O-OG 3.06Å; Y112-V116 HydrophobicContact CD1-CG2 3.96Å; Y112-V116 HydrophobicContact CE1-CG2 3.84Å; Y112-V116 HydrophobicContact CG-CG2 4.42Å; Y112-V116 VanDerWaalsContact O-CB 3.27Å; Y112-V116 WeakPolarHBondContact O-CB 3.16Å; Y112-V116 WeakPolarHBondContact O-CG2 3.46Å; Y112-V116 PolarHBondContact O-N 3.2Å
113	K	29	Very low	30	Very low	126 Å²	126	118.2 Å²	118.2	55%	0.548	60%	0.596	S	S	.	*	H	α-helix	trans	-69.5	-40.3	172.5	-80	172.4	-177.1	176.2	0	112.7	L109 V117	L109-K113 VanDerWaalsContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 WeakPolarHBondContact O-CD 3.37Å; L109-K113 WeakPolarHBondContact O-CG 3.26Å; L109-K113 PolarHBondContact O-N 3.47Å; L109-K113 VanDerWaalsContact O-N 3.15Å; K113-V117 WeakPolarHBondContact O-CB 3.39Å; K113-V117 WeakPolarHBondContact O-CG2 3.29Å; K113-V117 PolarHBondContact O-N 2.86Å
114	I	30.1	Very low	30.2	Very low	111 Å²	111	115.7 Å²	115.7	57%	0.569	58%	0.583	S	S	*	*	H	α-helix	trans	-69.7	-39.1	178.6	-68.4	165.9	0	0	0	111	E110 S111 M118	E110-I114 WeakPolarHBondContact O-CB 3.33Å; E110-I114 WeakPolarHBondContact O-CD1 3.35Å; E110-I114 WeakPolarHBondContact O-CG1 3.39Å; E110-I114 PolarHBondContact O-N 2.91Å; S111-I114 PolarHBondContact O-N 2.91Å; I114-M118 HydrophobicContact CG2-CG 4.49Å; I114-M118 VanDerWaalsContact O-CB 3.31Å; I114-M118 WeakPolarHBondContact O-CB 3.44Å; I114-M118 WeakPolarHBondContact O-CG 3.45Å; I114-M118 PolarHBondContact O-N 2.67Å
115	S	27.1	Very low	30.3	Very low	52 Å²	52	111.7 Å²	111.7	36%	0.364	57%	0.57	S	S	.	*	H	α-helix	trans	-71.7	-44.5	177.8	50.1	0	0	0	0	113.2	S111 Y112 M118 Q119	S111-S115 WeakPolarHBondContact O-CB 3.47Å; S111-S115 PolarHBondContact O-N 3.32Å; S111-S115 PolarHBondContact O-OG 3.32Å; Y112-S115 WeakPolarHBondContact CA-OG 3.48Å; Y112-S115 PolarHBondContact O-OG 3.06Å; S115-M118 PolarHBondContact O-N 2.82Å; S115-Q119 WeakPolarHBondContact O-CB 3.33Å; S115-Q119 PolarHBondContact O-N 3.07Å
116	V	28.3	Very low	30.9	Very low	57 Å²	57	104.2 Å²	104.2	35%	0.345	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-37.7	177.4	174.2	0	0	0	0	111.8	Y112 Q119 E120	Y112-V116 HydrophobicContact CD1-CG2 3.96Å; Y112-V116 HydrophobicContact CE1-CG2 3.84Å; Y112-V116 HydrophobicContact CG-CG2 4.42Å; Y112-V116 VanDerWaalsContact O-CB 3.27Å; Y112-V116 WeakPolarHBondContact O-CB 3.16Å; Y112-V116 WeakPolarHBondContact O-CG2 3.46Å; Y112-V116 PolarHBondContact O-N 3.2Å; V116-Q119 PolarHBondContact O-N 3.39Å; V116-E120 WeakPolarHBondContact O-CB 3.48Å; V116-E120 PolarHBondContact O-N 3.33Å
117	V	28.8	Very low	31.3	Very low	82 Å²	82	105.4 Å²	105.4	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-66.5	-37.3	173.6	171.4	0	0	0	0	111.2	K113 S121	K113-V117 WeakPolarHBondContact O-CB 3.39Å; K113-V117 WeakPolarHBondContact O-CG2 3.29Å; K113-V117 PolarHBondContact O-N 2.86Å; V117-S121 WeakPolarHBondContact O-CB 3.44Å; V117-S121 PolarHBondContact O-N 3.4Å; V117-S121 PolarHBondContact O-OG 3.2Å
118	M	26.7	Very low	31.8	Very low	123 Å²	123	102.9 Å²	102.9	61%	0.606	53%	0.526	S	S	*	.	H	α-helix	trans	-72.5	-33.5	177.4	-71.6	-73.1	151.1	0	0	113.1	I114 S115 S121 A122	I114-M118 HydrophobicContact CG2-CG 4.49Å; I114-M118 VanDerWaalsContact O-CB 3.31Å; I114-M118 WeakPolarHBondContact O-CB 3.44Å; I114-M118 WeakPolarHBondContact O-CG 3.45Å; I114-M118 PolarHBondContact O-N 2.67Å; S115-M118 PolarHBondContact O-N 2.82Å; M118-S121 WeakPolarHBondContact O-CB 3.42Å; M118-S121 PolarHBondContact O-N 3.07Å; M118-A122 PolarHBondContact O-N 2.76Å
119	Q	29.7	Very low	32.3	Very low	138 Å²	138	98.4 Å²	98.4	65%	0.645	50%	0.502	S	S	*	.	H	α-helix	trans	-75.3	-42.6	177.9	-133.5	163.7	-18.6	0	0	112.1	S115 V116 S121 A122 E123	S115-Q119 WeakPolarHBondContact O-CB 3.33Å; S115-Q119 PolarHBondContact O-N 3.07Å; V116-Q119 PolarHBondContact O-N 3.39Å; Q119-S121 PolarHBondContact O-N 3.39Å; Q119-A122 PolarHBondContact O-N 3.47Å; Q119-E123 PolarHBondContact O-N 3.45Å
120	E	28.8	Very low	32.9	Very low	103 Å²	103	98.9 Å²	98.9	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-33.2	168.8	-84.1	-161.7	-176.2	0	0	112.2	V116 K124	V116-E120 WeakPolarHBondContact O-CB 3.48Å; V116-E120 PolarHBondContact O-N 3.33Å; E120-K124 VanDerWaalsContact O-CB 3.29Å; E120-K124 WeakPolarHBondContact O-CB 3.23Å; E120-K124 WeakPolarHBondContact O-CD 3.42Å; E120-K124 VanDerWaalsContact O-CG 3.26Å; E120-K124 WeakPolarHBondContact O-CG 3.46Å; E120-K124 PolarHBondContact O-N 3.46Å; E120-K124 IonicContact OE2-NZ 2.95Å; E120-K124 PolarHBondContact OE2-NZ 3.13Å
121	S	33.9	Very low	33.3	Very low	56 Å²	56	98 Å²	98	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-38.3	175.8	-63.3	0	0	0	0	111.6	V117 M118 Q119 L125	V117-S121 WeakPolarHBondContact O-CB 3.44Å; V117-S121 PolarHBondContact O-N 3.4Å; V117-S121 PolarHBondContact O-OG 3.2Å; M118-S121 WeakPolarHBondContact O-CB 3.42Å; M118-S121 PolarHBondContact O-N 3.07Å; Q119-S121 PolarHBondContact O-N 3.39Å; S121-L125 WeakPolarHBondContact O-CA 3.46Å; S121-L125 WeakPolarHBondContact O-CB 3.38Å; S121-L125 PolarHBondContact O-N 2.92Å
122	A	31.8	Very low	33.8	Very low	38 Å²	38	95.1 Å²	95.1	31%	0.314	48%	0.475	S	S	.	.	H	α-helix	trans	-71.1	-38.5	-177.9	0	0	0	0	0	113.5	M118 Q119 L125 S126	M118-A122 PolarHBondContact O-N 2.76Å; Q119-A122 PolarHBondContact O-N 3.47Å; A122-L125 PolarHBondContact O-N 3.15Å; A122-S126 WeakPolarHBondContact O-CB 3.36Å; A122-S126 PolarHBondContact O-N 3.19Å
123	E	33.9	Very low	34.5	Very low	149 Å²	149	92.5 Å²	92.5	70%	0.696	47%	0.467	S	S	*	.	H	α-helix	trans	-70.8	-42.8	174.2	-71	-178.6	171.5	0	0	111.5	Q119 L125 S126 E127	Q119-E123 PolarHBondContact O-N 3.45Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 3.33Å; E123-S126 WeakPolarHBondContact O-CB 3.49Å; E123-S126 PolarHBondContact O-N 3.05Å; E123-E127 PolarHBondContact O-N 3.38Å
124	K	36.4	Very low	35.1	Very low	105 Å²	105	92.2 Å²	92.2	46%	0.457	47%	0.468	S	S	.	.	H	α-helix	trans	-63.6	-32.7	171.2	-73.5	169.1	-175	157.3	0	111.8	E120 K128	E120-K124 VanDerWaalsContact O-CB 3.29Å; E120-K124 WeakPolarHBondContact O-CB 3.23Å; E120-K124 WeakPolarHBondContact O-CD 3.42Å; E120-K124 VanDerWaalsContact O-CG 3.26Å; E120-K124 WeakPolarHBondContact O-CG 3.46Å; E120-K124 PolarHBondContact O-N 3.46Å; E120-K124 IonicContact OE2-NZ 2.95Å; E120-K124 PolarHBondContact OE2-NZ 3.13Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 VanDerWaalsContact O-CD 3.32Å; K124-K128 WeakPolarHBondContact O-CD 3.47Å; K124-K128 WeakPolarHBondContact O-CG 3.29Å; K124-K128 PolarHBondContact O-N 3.14Å
125	L	35.9	Very low	35.5	Very low	100 Å²	100	91.8 Å²	91.8	52%	0.524	46%	0.462	S	S	.	.	H	α-helix	trans	-69.5	-41.1	174.9	-159.6	81	0	0	0	110.6	S121 A122 E123 K128 L129	S121-L125 WeakPolarHBondContact O-CA 3.46Å; S121-L125 WeakPolarHBondContact O-CB 3.38Å; S121-L125 PolarHBondContact O-N 2.92Å; A122-L125 PolarHBondContact O-N 3.15Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 3.33Å; L125-K128 CarbonylContact O-C 3.6Å; L125-K128 PolarHBondContact O-N 3.37Å; L125-L129 WeakPolarHBondContact O-CB 3.45Å; L125-L129 PolarHBondContact O-N 2.81Å
126	S	37.5	Very low	36.2	Very low	59 Å²	59	89.6 Å²	89.6	41%	0.413	45%	0.446	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176.6	-168.6	0	0	0	0	112.4	A122 E123 L129 H130	A122-S126 WeakPolarHBondContact O-CB 3.36Å; A122-S126 PolarHBondContact O-N 3.19Å; E123-S126 WeakPolarHBondContact O-CB 3.49Å; E123-S126 PolarHBondContact O-N 3.05Å; S126-L129 PolarHBondContact O-N 2.91Å; S126-H130 PolarHBondContact O-N 2.99Å
127	E	40.8	Very low	36.9	Very low	113 Å²	113	90.6 Å²	90.6	53%	0.528	45%	0.45	S	S	.	.	H	α-helix	trans	-68.6	-37.4	175.9	-157.3	-163.7	154.3	0	0	111.9	E123 H130 K131	E123-E127 PolarHBondContact O-N 3.38Å; E127-H130 PolarHBondContact O-N 2.87Å; E127-K131 WeakPolarHBondContact O-CG 3.17Å; E127-K131 PolarHBondContact O-N 3.5Å; E127-K131 IonicContact OE1-NZ 3.67Å; E127-K131 PolarHBondContact OE1-NZ 2.91Å
128	K	40.5	Very low	37.6	Very low	119 Å²	119	90 Å²	90	52%	0.517	45%	0.449	S	S	.	.	H	α-helix	trans	-66.8	-34.1	172	-75.1	170.6	-176.2	-177.2	0	112.1	K124 L125 C132	K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 VanDerWaalsContact O-CD 3.32Å; K124-K128 WeakPolarHBondContact O-CD 3.47Å; K124-K128 WeakPolarHBondContact O-CG 3.29Å; K124-K128 PolarHBondContact O-N 3.14Å; L125-K128 CarbonylContact O-C 3.6Å; L125-K128 PolarHBondContact O-N 3.37Å; K128-C132 VanDerWaalsContact O-CB 3.26Å; K128-C132 WeakPolarHBondContact O-CB 3.34Å; K128-C132 PolarHBondContact O-N 3.17Å
129	L	39.5	Very low	38.1	Very low	42 Å²	42	85.2 Å²	85.2	22%	0.22	43%	0.427	C	S	.	.	H	α-helix	trans	-69.6	-38.7	176.6	-136.4	73.5	0	0	0	111.8	L125 S126 C132 K133 I161 Q167	L125-L129 WeakPolarHBondContact O-CB 3.45Å; L125-L129 PolarHBondContact O-N 2.81Å; S126-L129 PolarHBondContact O-N 2.91Å; L129-C132 WeakPolarHBondContact O-CB 3.38Å; L129-C132 PolarHBondContact O-N 2.95Å; L129-K133 PolarHBondContact O-N 2.87Å; L129-I161 HydrophobicContact CD1-CG2 3.87Å; L129-I161 HydrophobicContact CG-CG2 4.38Å; L129-Q167 HydrophobicContact CD2-CG 3.7Å
130	H	42.8	Very low	38.8	Very low	121 Å²	121	84.2 Å²	84.2	56%	0.56	42%	0.418	S	S	*	.	H	α-helix	trans	-63.9	-45.3	175.3	-168.9	57.5	0	0	0	111.6	S126 E127 C132 K133 E134	S126-H130 PolarHBondContact O-N 2.99Å; E127-H130 PolarHBondContact O-N 2.87Å; H130-C132 VanDerWaalsContact C-N 3.3Å; H130-C132 PolarHBondContact O-N 3.24Å; H130-K133 WeakPolarHBondContact O-CB 2.98Å; H130-K133 PolarHBondContact O-N 2.54Å; H130-K133 VanDerWaalsContact O-N 3.13Å; H130-E134 PolarHBondContact O-N 3.19Å; H130-E134 VanDerWaalsContact O-N 3.17Å
131	K	42	Very low	39.4	Very low	115 Å²	115	86.9 Å²	86.9	50%	0.5	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-31.9	173.4	-68.5	172.3	-172.4	164.5	0	112.6	E127 F135	E127-K131 WeakPolarHBondContact O-CG 3.17Å; E127-K131 PolarHBondContact O-N 3.5Å; E127-K131 IonicContact OE1-NZ 3.67Å; E127-K131 PolarHBondContact OE1-NZ 2.91Å; K131-F135 WeakPolarHBondContact O-CB 3.44Å; K131-F135 PolarHBondContact O-N 2.73Å; K131-F135 VanDerWaalsContact O-N 3.15Å
132	C	38.8	Very low	39.7	Very low	22 Å²	22	88.7 Å²	88.7	15%	0.149	44%	0.443	C	S	.	.	H	α-helix	trans	-68.1	-37.4	172.6	-152.5	0	0	0	0	111.1	K128 L129 H130 F135 V136	K128-C132 VanDerWaalsContact O-CB 3.26Å; K128-C132 WeakPolarHBondContact O-CB 3.34Å; K128-C132 PolarHBondContact O-N 3.17Å; L129-C132 WeakPolarHBondContact O-CB 3.38Å; L129-C132 PolarHBondContact O-N 2.95Å; H130-C132 VanDerWaalsContact C-N 3.3Å; H130-C132 PolarHBondContact O-N 3.24Å; C132-F135 PolarHBondContact O-N 3.03Å; C132-V136 WeakPolarHBondContact O-CB 3.49Å; C132-V136 WeakPolarHBondContact O-CG2 3.43Å; C132-V136 PolarHBondContact O-N 2.84Å
133	K	41.5	Very low	39.9	Very low	111 Å²	111	94.1 Å²	94.1	48%	0.483	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.9	-160.7	173.7	-178.7	174.9	0	111.6	L129 H130 F135 V136 D137	L129-K133 PolarHBondContact O-N 2.87Å; H130-K133 WeakPolarHBondContact O-CB 2.98Å; H130-K133 PolarHBondContact O-N 2.54Å; H130-K133 VanDerWaalsContact O-N 3.13Å; K133-F135 PolarHBondContact O-N 3.38Å; K133-V136 PolarHBondContact O-N 2.87Å; K133-D137 VanDerWaalsContact O-CG 3.29Å; K133-D137 PolarHBondContact O-N 2.86Å
134	E	42.9	Very low	40	Very low	121 Å²	121	92 Å²	92	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-61.6	-40.8	174.6	-65.9	-176.1	146.6	0	0	112.8	H130 S138	H130-E134 PolarHBondContact O-N 3.19Å; H130-E134 VanDerWaalsContact O-N 3.17Å; E134-S138 PolarHBondContact O-N 2.74Å
135	F	38.8	Very low	40.5	Very low	101 Å²	101	93.4 Å²	93.4	44%	0.443	48%	0.477	S	S	.	.	H	α-helix	trans	-66.9	-37.5	176.1	177.7	-101.5	0	0	0	112.5	K131 C132 K133 S138 C139	K131-F135 WeakPolarHBondContact O-CB 3.44Å; K131-F135 PolarHBondContact O-N 2.73Å; K131-F135 VanDerWaalsContact O-N 3.15Å; C132-F135 PolarHBondContact O-N 3.03Å; K133-F135 PolarHBondContact O-N 3.38Å; F135-S138 WeakPolarHBondContact O-CB 3.28Å; F135-S138 PolarHBondContact O-N 2.98Å; F135-C139 PolarHBondContact O-N 3.45Å; F135-C139 PolarHBondContact O-SG 3.07Å
136	V	40.7	Very low	40.6	Very low	6 Å²	6	93.3 Å²	93.3	4%	0.036	49%	0.485	C	S	.	.	H	α-helix	trans	-69.9	-40.5	177.9	169.1	0	0	0	0	111.3	C132 K133 S138 C139 R140 L158	C132-V136 WeakPolarHBondContact O-CB 3.49Å; C132-V136 WeakPolarHBondContact O-CG2 3.43Å; C132-V136 PolarHBondContact O-N 2.84Å; K133-V136 PolarHBondContact O-N 2.87Å; V136-S138 VanDerWaalsContact C-N 3.29Å; V136-S138 PolarHBondContact O-N 3.36Å; V136-C139 PolarHBondContact O-N 3.22Å; V136-C139 VanDerWaalsContact O-N 3.14Å; V136-R140 WeakPolarHBondContact O-CG 3.08Å; V136-R140 PolarHBondContact O-N 2.97Å; V136-L158 HydrophobicContact CG1-CD1 4.12Å; V136-L158 HydrophobicContact CG2-CD1 4.16Å; V136-L158 HydrophobicContact CG2-CD2 3.42Å; V136-L158 VanDerWaalsContact CG2-CD2 3.42Å; V136-L158 HydrophobicContact CG2-CG 4.31Å
137	D	44.3	Very low	40.8	Very low	79 Å²	79	93.4 Å²	93.4	42%	0.422	50%	0.495	S	S	.	.	H	α-helix	trans	-64.5	-36.3	174.3	-67.3	-24.3	0	0	0	111	K133 L141	K133-D137 VanDerWaalsContact O-CG 3.29Å; K133-D137 PolarHBondContact O-N 2.86Å; D137-L141 WeakPolarHBondContact O-CG 3.47Å
138	S	42.7	Very low	40.8	Very low	69 Å²	69	92.1 Å²	92.1	48%	0.483	49%	0.492	S	S	.	.	H	α-helix	trans	-66.6	-35.8	170.3	-177.3	0	0	0	0	113.6	E134 F135 V136 T142	E134-S138 PolarHBondContact O-N 2.74Å; F135-S138 WeakPolarHBondContact O-CB 3.28Å; F135-S138 PolarHBondContact O-N 2.98Å; V136-S138 VanDerWaalsContact C-N 3.29Å; V136-S138 PolarHBondContact O-N 3.36Å; S138-T142 PolarHBondContact O-OG1 3.33Å
139	C	36.9	Very low	40.6	Very low	22 Å²	22	94.6 Å²	94.6	15%	0.149	51%	0.505	C	S	.	.	H	α-helix	trans	-73.4	-34.8	177.8	-69.4	0	0	0	0	112.4	F135 V136 L141 T142 F143	F135-C139 PolarHBondContact O-N 3.45Å; F135-C139 PolarHBondContact O-SG 3.07Å; V136-C139 PolarHBondContact O-N 3.22Å; V136-C139 VanDerWaalsContact O-N 3.14Å; C139-L141 PolarHBondContact O-N 3.5Å; C139-T142 WeakPolarHBondContact CA-OG1 3.46Å; C139-T142 PolarHBondContact O-N 3.2Å; C139-T142 VanDerWaalsContact O-N 3.13Å; C139-T142 PolarHBondContact O-OG1 3.18Å; C139-F143 WeakPolarHBondContact O-CD2 3.45Å; C139-F143 PolarHBondContact O-N 3.26Å
140	R	44.2	Very low	40.5	Very low	118 Å²	118	101.8 Å²	101.8	45%	0.445	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-27.3	175.7	-78.5	-177.2	-179.6	-146.9	2.3	113	V136 N159	V136-R140 WeakPolarHBondContact O-CG 3.08Å; V136-R140 PolarHBondContact O-N 2.97Å; R140-N159 PolarHBondContact NH2-OD1 3.14Å
141	L	42.4	Very low	40.4	Very low	158 Å²	158	98.2 Å²	98.2	83%	0.827	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.9	175.6	-67.4	167.8	0	0	0	113.4	D137 C139	D137-L141 WeakPolarHBondContact O-CG 3.47Å; C139-L141 PolarHBondContact O-N 3.5Å
142	T	38.6	Very low	40.7	Very low	94 Å²	94	100.6 Å²	100.6	58%	0.577	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-22.2	-174.4	18.7	0	0	0	0	114.1	S138 C139	S138-T142 PolarHBondContact O-OG1 3.33Å; C139-T142 WeakPolarHBondContact CA-OG1 3.46Å; C139-T142 PolarHBondContact O-N 3.2Å; C139-T142 VanDerWaalsContact O-N 3.13Å; C139-T142 PolarHBondContact O-OG1 3.18Å
143	F	36.3	Very low	41	Very low	152 Å²	152	100.9 Å²	100.9	67%	0.667	53%	0.532	S	S	*	.			trans	-119.6	95.7	-179.8	-63.6	-82	0	0	0	110.4	C139	C139-F143 WeakPolarHBondContact O-CD2 3.45Å; C139-F143 PolarHBondContact O-N 3.26Å
144	P	37	Very low	41.2	Very low	106 Å²	106	98.5 Å²	98.5	69%	0.688	52%	0.522	S	S	*	.			trans	-64.8	143.4	166.7	-3.3	17.5	0	0	0	108.5	S146	P144-S146 PolarHBondContact O-N 3.01Å
145	T	46.2	Very low	41.4	Very low	134 Å²	134	95.6 Å²	95.6	82%	0.822	51%	0.51	S	S	*	.			trans	-54.2	66.4	-176.3	51.6	0	0	0	0	114.9	G147	T145-G147 PolarHBondContact O-N 3.07Å
146	S	39.1	Very low	42.1	Very low	98 Å²	98	96.9 Å²	96.9	69%	0.685	52%	0.517	S	S	*	.			trans	-98.5	76.2	176.4	68.2	0	0	0	0	111.2	P144 D148	P144-S146 PolarHBondContact O-N 3.01Å; S146-D148 VanDerWaalsContact C-N 3.34Å; S146-D148 PolarHBondContact O-N 3.31Å
147	G	41.6	Very low	42.7	Very low	61 Å²	61	97.7 Å²	97.7	63%	0.629	52%	0.521	S	S	*	.			trans	69.7	-20.8	132.9	0	0	0	0	0	122.1	T145 R152	T145-G147 PolarHBondContact O-N 3.07Å; G147-R152 PolarHBondContact O-NH2 3.45Å
148	D	39.8	Very low	43	Very low	86 Å²	86	94.4 Å²	94.4	46%	0.46	50%	0.504	S	S	.	.			trans	-81.2	148.5	-177.1	75.9	10.4	0	0	0	113.2	S146 Y150 S151 R152	S146-D148 VanDerWaalsContact C-N 3.34Å; S146-D148 PolarHBondContact O-N 3.31Å; D148-Y150 PolarHBondContact O-N 3.41Å; D148-S151 PolarHBondContact O-N 2.81Å; D148-S151 WeakPolarHBondContact OD1-CA 3.34Å; D148-S151 WeakPolarHBondContact OD1-CB 3.24Å; D148-S151 PolarHBondContact OD1-N 2.73Å; D148-S151 PolarHBondContact OD1-OG 3.02Å; D148-R152 PolarHBondContact O-N 2.72Å
149	E	37.3	Very low	43.5	Very low	170 Å²	170	95 Å²	95	79%	0.794	50%	0.502	S	S	*	.	H	α-helix	trans	-65.7	-28.2	-173.2	-157.5	169.5	-166.5	0	0	111.8	G153	E149-G153 PolarHBondContact O-N 2.98Å; E149-G153 VanDerWaalsContact O-N 3.14Å
150	Y	37.2	Very low	44.4	Very low	193 Å²	193	96.4 Å²	96.4	76%	0.757	51%	0.507	S	S	*	.	H	α-helix	trans	-69.4	-46.2	175.9	-171.9	-97.3	0	0	0	112.3	D148 R152 G153 F154	D148-Y150 PolarHBondContact O-N 3.41Å; Y150-R152 VanDerWaalsContact C-N 3.27Å; Y150-R152 PolarHBondContact O-N 3.23Å; Y150-G153 PolarHBondContact O-N 3.14Å; Y150-F154 WeakPolarHBondContact O-CB 3.46Å; Y150-F154 PolarHBondContact O-N 3.46Å
151	S	40.8	Very low	44.7	Very low	47 Å²	47	92.1 Å²	92.1	33%	0.329	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-31	176.6	-57.6	0	0	0	0	111.9	D148 F154 L155	D148-S151 PolarHBondContact O-N 2.81Å; D148-S151 WeakPolarHBondContact OD1-CA 3.34Å; D148-S151 WeakPolarHBondContact OD1-CB 3.24Å; D148-S151 PolarHBondContact OD1-N 2.73Å; D148-S151 PolarHBondContact OD1-OG 3.02Å; S151-F154 PolarHBondContact O-N 2.91Å; S151-L155 WeakPolarHBondContact O-CB 3.49Å; S151-L155 VanDerWaalsContact O-CG 3.28Å; S151-L155 WeakPolarHBondContact O-CG 3.42Å; S151-L155 PolarHBondContact O-N 2.89Å
152	R	47.1	Very low	45	Very low	164 Å²	164	87.3 Å²	87.3	62%	0.619	47%	0.466	S	S	*	.	H	α-helix	trans	-65.7	-47	174.5	-117.1	-177.8	-71.2	173.7	-2.4	112.3	G147 D148 Y150 F154 L155 Q156	G147-R152 PolarHBondContact O-NH2 3.45Å; D148-R152 PolarHBondContact O-N 2.72Å; Y150-R152 VanDerWaalsContact C-N 3.27Å; Y150-R152 PolarHBondContact O-N 3.23Å; R152-F154 VanDerWaalsContact C-N 3.32Å; R152-F154 PolarHBondContact O-N 3.1Å; R152-L155 PolarHBondContact O-N 3.43Å; R152-Q156 WeakPolarHBondContact O-CB 3.26Å; R152-Q156 PolarHBondContact O-N 3.47Å
153	G	46.7	Very low	45.8	Very low	28 Å²	28	86 Å²	86	29%	0.289	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-37.1	175.4	0	0	0	0	0	112.7	E149 Y150 Q156 N157	E149-G153 PolarHBondContact O-N 2.98Å; E149-G153 VanDerWaalsContact O-N 3.14Å; Y150-G153 PolarHBondContact O-N 3.14Å; G153-Q156 PolarHBondContact O-N 3.05Å; G153-N157 VanDerWaalsContact O-CG 3.29Å; G153-N157 PolarHBondContact O-N 3.41Å; G153-N157 PolarHBondContact O-ND2 2.93Å
154	F	43.8	Very low	46.6	Very low	62 Å²	62	85.6 Å²	85.6	27%	0.272	46%	0.456	S	S	.	.	H	α-helix	trans	-63.4	-47.9	174.7	-177.8	-107	0	0	0	112.2	Y150 S151 R152 Q156 N157 L158	Y150-F154 WeakPolarHBondContact O-CB 3.46Å; Y150-F154 PolarHBondContact O-N 3.46Å; S151-F154 PolarHBondContact O-N 2.91Å; R152-F154 VanDerWaalsContact C-N 3.32Å; R152-F154 PolarHBondContact O-N 3.1Å; F154-Q156 VanDerWaalsContact C-N 3.33Å; F154-Q156 PolarHBondContact O-N 2.98Å; F154-N157 PolarHBondContact O-N 2.81Å; F154-L158 HydrophobicContact CD1-CD1 3.79Å; F154-L158 HydrophobicContact CE1-CD1 3.39Å; F154-L158 HydrophobicContact CE1-CG 4.3Å; F154-L158 HydrophobicContact CE2-CD1 4.49Å; F154-L158 HydrophobicContact CZ-CD1 3.78Å; F154-L158 HydrophobicContact CZ-CG 4.35Å; F154-L158 VanDerWaalsContact O-CG 3.3Å; F154-L158 WeakPolarHBondContact O-CG 3.07Å; F154-L158 PolarHBondContact O-N 3.37Å
155	L	48.2	Very low	47.6	Very low	59 Å²	59	86.1 Å²	86.1	31%	0.309	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-35.4	176.8	-71.8	169.3	0	0	0	112.7	S151 R152 L158 N159	S151-L155 WeakPolarHBondContact O-CB 3.49Å; S151-L155 VanDerWaalsContact O-CG 3.28Å; S151-L155 WeakPolarHBondContact O-CG 3.42Å; S151-L155 PolarHBondContact O-N 2.89Å; R152-L155 PolarHBondContact O-N 3.43Å; L155-L158 PolarHBondContact O-N 3.43Å; L155-N159 VanDerWaalsContact O-CG 3.25Å; L155-N159 PolarHBondContact O-N 3.07Å; L155-N159 PolarHBondContact O-ND2 3.46Å
156	Q	53.9	Low	47.9	Very low	129 Å²	129	80.5 Å²	80.5	60%	0.603	42%	0.418	S	S	*	.	H	α-helix	trans	-64.9	-43.7	176.2	-171.2	167.5	9	0	0	111.9	R152 G153 F154 L158 N159 L160	R152-Q156 WeakPolarHBondContact O-CB 3.26Å; R152-Q156 PolarHBondContact O-N 3.47Å; G153-Q156 PolarHBondContact O-N 3.05Å; F154-Q156 VanDerWaalsContact C-N 3.33Å; F154-Q156 PolarHBondContact O-N 2.98Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; Q156-L158 PolarHBondContact O-N 3.42Å; Q156-N159 PolarHBondContact O-N 3.32Å; Q156-L160 PolarHBondContact O-N 2.95Å
157	N	52.1	Low	48.3	Very low	22 Å²	22	77.8 Å²	77.8	12%	0.118	40%	0.395	C	S	.	.	H	α-helix	trans	-65.6	-36.5	174.9	-69.6	-14.2	0	0	0	112.1	G153 F154 L160 I161 P181 L182 F187	G153-N157 VanDerWaalsContact O-CG 3.29Å; G153-N157 PolarHBondContact O-N 3.41Å; G153-N157 PolarHBondContact O-ND2 2.93Å; F154-N157 PolarHBondContact O-N 2.81Å; N157-L160 PolarHBondContact O-N 3.06Å; N157-I161 WeakPolarHBondContact O-CD1 3.43Å; N157-I161 VanDerWaalsContact O-CG1 3.29Å; N157-I161 WeakPolarHBondContact O-CG1 3.35Å; N157-I161 PolarHBondContact O-N 3.4Å; N157-P181 VanDerWaalsContact OD1-CB 3.26Å; N157-P181 WeakPolarHBondContact OD1-CB 3.16Å; N157-L182 HydrophobicContact CB-CD2 4.41Å; N157-F187 HydrophobicContact CB-CZ 4.34Å
158	L	51.4	Low	48.7	Very low	11 Å²	11	78 Å²	78	6%	0.058	38%	0.384	C	S	.	.	H	α-helix	trans	-66.3	-38.5	175.4	-73.8	179.2	0	0	0	113	V136 F154 L155 Q156 I161 Q162	V136-L158 HydrophobicContact CG1-CD1 4.12Å; V136-L158 HydrophobicContact CG2-CD1 4.16Å; V136-L158 HydrophobicContact CG2-CD2 3.42Å; V136-L158 VanDerWaalsContact CG2-CD2 3.42Å; V136-L158 HydrophobicContact CG2-CG 4.31Å; F154-L158 HydrophobicContact CD1-CD1 3.79Å; F154-L158 HydrophobicContact CE1-CD1 3.39Å; F154-L158 HydrophobicContact CE1-CG 4.3Å; F154-L158 HydrophobicContact CE2-CD1 4.49Å; F154-L158 HydrophobicContact CZ-CD1 3.78Å; F154-L158 HydrophobicContact CZ-CG 4.35Å; F154-L158 VanDerWaalsContact O-CG 3.3Å; F154-L158 WeakPolarHBondContact O-CG 3.07Å; F154-L158 PolarHBondContact O-N 3.37Å; L155-L158 PolarHBondContact O-N 3.43Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; Q156-L158 PolarHBondContact O-N 3.42Å; L158-I161 PolarHBondContact O-N 2.94Å; L158-Q162 WeakPolarHBondContact O-CG 3.29Å; L158-Q162 PolarHBondContact O-N 3.28Å
159	N	53.9	Low	49.5	Very low	82 Å²	82	78.4 Å²	78.4	44%	0.439	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-38.8	176.6	-70.5	-28.6	0	0	0	111.9	R140 L155 Q156 I161 Q162 D163	R140-N159 PolarHBondContact NH2-OD1 3.14Å; L155-N159 VanDerWaalsContact O-CG 3.25Å; L155-N159 PolarHBondContact O-N 3.07Å; L155-N159 PolarHBondContact O-ND2 3.46Å; Q156-N159 PolarHBondContact O-N 3.32Å; N159-I161 VanDerWaalsContact C-N 3.34Å; N159-I161 PolarHBondContact O-N 3.11Å; N159-Q162 PolarHBondContact O-N 3.44Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; N159-D163 PolarHBondContact O-N 3.21Å
160	L	55.8	Low	50.2	Low	50 Å²	50	72.6 Å²	72.6	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-37.8	175.3	-74.8	165.1	0	0	0	112.5	Q156 N157 Q162 D163 L182	Q156-L160 PolarHBondContact O-N 2.95Å; N157-L160 PolarHBondContact O-N 3.06Å; L160-Q162 VanDerWaalsContact C-N 3.25Å; L160-Q162 PolarHBondContact O-N 2.93Å; L160-D163 PolarHBondContact O-N 3.47Å; L160-L182 HydrophobicContact CB-CD1 4.35Å
161	I	50.1	Low	50.5	Low	29 Å²	29	69.8 Å²	69.8	15%	0.149	34%	0.342	C	S	.	.	H	α-helix	trans	-66	-29.6	175.2	-67.8	164.9	0	0	0	111.5	L129 N157 L158 N159 Q167 L182	L129-I161 HydrophobicContact CD1-CG2 3.87Å; L129-I161 HydrophobicContact CG-CG2 4.38Å; N157-I161 WeakPolarHBondContact O-CD1 3.43Å; N157-I161 VanDerWaalsContact O-CG1 3.29Å; N157-I161 WeakPolarHBondContact O-CG1 3.35Å; N157-I161 PolarHBondContact O-N 3.4Å; L158-I161 PolarHBondContact O-N 2.94Å; N159-I161 VanDerWaalsContact C-N 3.34Å; N159-I161 PolarHBondContact O-N 3.11Å; I161-Q167 PolarHBondContact O-NE2 3.23Å; I161-L182 HydrophobicContact CD1-CD2 3.79Å; I161-L182 HydrophobicContact CG1-CD1 4.14Å; I161-L182 HydrophobicContact CG1-CD2 3.92Å
162	Q	49.1	Very low	50.5	Low	57 Å²	57	73.4 Å²	73.4	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-87.1	-8.8	-179.1	-71.3	-176.5	-20.1	0	0	114	L158 N159 L160 E164	L158-Q162 WeakPolarHBondContact O-CG 3.29Å; L158-Q162 PolarHBondContact O-N 3.28Å; N159-Q162 PolarHBondContact O-N 3.44Å; N159-Q162 VanDerWaalsContact O-N 3.16Å; L160-Q162 VanDerWaalsContact C-N 3.25Å; L160-Q162 PolarHBondContact O-N 2.93Å; Q162-E164 PolarHBondContact O-N 2.69Å
163	D	54.9	Low	50.2	Low	67 Å²	67	68 Å²	68	36%	0.358	35%	0.348	S	S	.	.			trans	-76	116.6	-179.2	-171.2	-49.8	0	0	0	111.4	N159 L160 N165 V166 Q167	N159-D163 PolarHBondContact O-N 3.21Å; L160-D163 PolarHBondContact O-N 3.47Å; D163-N165 VanDerWaalsContact C-N 3.28Å; D163-N165 PolarHBondContact O-N 3.42Å; D163-N165 WeakPolarHBondContact OD1-CA 3.37Å; D163-N165 VanDerWaalsContact OD1-CB 3.27Å; D163-N165 WeakPolarHBondContact OD1-CB 3.31Å; D163-N165 PolarHBondContact OD1-N 3.18Å; D163-V166 HydrophobicContact CB-CB 3.98Å; D163-V166 HydrophobicContact CB-CG2 3.77Å; D163-V166 PolarHBondContact O-N 3.42Å; D163-V166 PolarHBondContact OD1-N 2.93Å; D163-Q167 WeakPolarHBondContact O-CG 3.23Å; D163-Q167 PolarHBondContact O-N 3.21Å
164	E	52.5	Low	50.1	Low	143 Å²	143	74 Å²	74	67%	0.668	36%	0.362	S	S	*	.	H	α-helix	trans	-65.2	-29.4	-177.4	-69.6	-170.9	163.9	0	0	113.1	Q162 T168	Q162-E164 PolarHBondContact O-N 2.69Å; E164-T168 WeakPolarHBondContact O-CB 3.48Å; E164-T168 VanDerWaalsContact O-CG2 3.3Å; E164-T168 WeakPolarHBondContact O-CG2 3.48Å; E164-T168 PolarHBondContact O-N 3.19Å; E164-T168 PolarHBondContact O-OG1 2.98Å
165	N	57.9	Low	50.2	Low	116 Å²	116	77.8 Å²	77.8	62%	0.62	38%	0.376	S	S	*	.	H	α-helix	trans	-71.3	-38.2	175.7	-65.2	-51.6	0	0	0	110.5	D163 T168 R169	D163-N165 VanDerWaalsContact C-N 3.28Å; D163-N165 PolarHBondContact O-N 3.42Å; D163-N165 WeakPolarHBondContact OD1-CA 3.37Å; D163-N165 VanDerWaalsContact OD1-CB 3.27Å; D163-N165 WeakPolarHBondContact OD1-CB 3.31Å; D163-N165 PolarHBondContact OD1-N 3.18Å; N165-T168 WeakPolarHBondContact CA-OG1 3.48Å; N165-T168 PolarHBondContact O-OG1 3.35Å; N165-R169 WeakPolarHBondContact O-CB 3.46Å; N165-R169 VanDerWaalsContact O-CD 3.24Å; N165-R169 WeakPolarHBondContact O-CD 3.03Å; N165-R169 WeakPolarHBondContact O-CG 3.29Å; N165-R169 PolarHBondContact O-N 3.2Å
166	V	53.1	Low	50.2	Low	17 Å²	17	79.1 Å²	79.1	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-45	175.4	176.5	0	0	0	0	110.5	D163 T168 R169 W170	D163-V166 HydrophobicContact CB-CB 3.98Å; D163-V166 HydrophobicContact CB-CG2 3.77Å; D163-V166 PolarHBondContact O-N 3.42Å; D163-V166 PolarHBondContact OD1-N 2.93Å; V166-T168 PolarHBondContact O-N 3.04Å; V166-R169 PolarHBondContact O-N 3.2Å; V166-W170 HydrophobicContact CG1-CD2 3.84Å; V166-W170 HydrophobicContact CG1-CE3 4.21Å; V166-W170 HydrophobicContact CG1-CH2 3.56Å; V166-W170 HydrophobicContact CG1-CZ2 3.13Å; V166-W170 HydrophobicContact CG1-CZ3 4.08Å; V166-W170 VanDerWaalsContact O-CG 3.25Å; V166-W170 PolarHBondContact O-N 3.49Å
167	Q	48.2	Very low	49.8	Very low	41 Å²	41	79.9 Å²	79.9	19%	0.192	39%	0.387	C	S	.	.	H	α-helix	trans	-62.3	-41.3	176.8	-68.7	173.2	22.6	0	0	113.4	L129 I161 D163 W170 K171	L129-Q167 HydrophobicContact CD2-CG 3.7Å; I161-Q167 PolarHBondContact O-NE2 3.23Å; D163-Q167 WeakPolarHBondContact O-CG 3.23Å; D163-Q167 PolarHBondContact O-N 3.21Å; Q167-W170 PolarHBondContact O-N 3.12Å; Q167-K171 WeakPolarHBondContact O-CG 3.27Å; Q167-K171 PolarHBondContact O-N 2.93Å
168	T	50.1	Low	49.5	Very low	66 Å²	66	85.3 Å²	85.3	41%	0.405	42%	0.416	S	S	.	.	H	α-helix	trans	-69.1	-36	177.8	46.2	0	0	0	0	111.9	E164 N165 V166 K171 Q172	E164-T168 WeakPolarHBondContact O-CB 3.48Å; E164-T168 VanDerWaalsContact O-CG2 3.3Å; E164-T168 WeakPolarHBondContact O-CG2 3.48Å; E164-T168 PolarHBondContact O-N 3.19Å; E164-T168 PolarHBondContact O-OG1 2.98Å; N165-T168 WeakPolarHBondContact CA-OG1 3.48Å; N165-T168 PolarHBondContact O-OG1 3.35Å; V166-T168 PolarHBondContact O-N 3.04Å; T168-K171 PolarHBondContact O-N 3.04Å; T168-Q172 WeakPolarHBondContact O-CG 3.49Å; T168-Q172 PolarHBondContact O-N 2.84Å
169	R	54.8	Low	49.4	Very low	94 Å²	94	85.2 Å²	85.2	36%	0.355	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-40.7	173.2	-72.3	167.3	58.2	160.2	7.4	112.7	N165 V166 Q172 G173 R174 D176	N165-R169 WeakPolarHBondContact O-CB 3.46Å; N165-R169 VanDerWaalsContact O-CD 3.24Å; N165-R169 WeakPolarHBondContact O-CD 3.03Å; N165-R169 WeakPolarHBondContact O-CG 3.29Å; N165-R169 PolarHBondContact O-N 3.2Å; V166-R169 PolarHBondContact O-N 3.2Å; R169-Q172 CarbonylContact O-C 3.54Å; R169-Q172 WeakPolarHBondContact O-CA 3.34Å; R169-Q172 WeakPolarHBondContact O-CB 3.39Å; R169-Q172 PolarHBondContact O-N 3.3Å; R169-Q172 VanDerWaalsContact O-N 3.09Å; R169-G173 PolarHBondContact O-N 3.43Å; R169-G173 VanDerWaalsContact O-N 3.16Å; R169-R174 PolarHBondContact O-N 2.9Å; R169-D176 IonicContact CZ-OD2 2.81Å; R169-D176 IonicContact NH1-OD2 2.85Å; R169-D176 IonicContact NH2-OD1 3.79Å; R169-D176 IonicContact NH2-OD2 2.74Å; R169-D176 PolarHBondContact NH2-OD2 3.4Å
170	W	51.9	Low	49.1	Very low	47 Å²	47	87 Å²	87	18%	0.178	42%	0.419	C	S	.	.	H	α-helix	trans	-64.5	-40	173.7	-65.6	-18.1	0	0	0	112.5	V166 Q167 Q172 G173 Y175 D179 L182	V166-W170 HydrophobicContact CG1-CD2 3.84Å; V166-W170 HydrophobicContact CG1-CE3 4.21Å; V166-W170 HydrophobicContact CG1-CH2 3.56Å; V166-W170 HydrophobicContact CG1-CZ2 3.13Å; V166-W170 HydrophobicContact CG1-CZ3 4.08Å; V166-W170 VanDerWaalsContact O-CG 3.25Å; V166-W170 PolarHBondContact O-N 3.49Å; Q167-W170 PolarHBondContact O-N 3.12Å; W170-Q172 PolarHBondContact O-N 3.13Å; W170-G173 PolarHBondContact O-N 3.27Å; W170-Y175 HydrophobicContact CB-CE1 4.35Å; W170-Y175 AromaticContact CD1-CD1 3.58Å; W170-Y175 AromaticContact CD1-CE1 3.48Å; W170-Y175 VanDerWaalsContact CD1-CE1 3.48Å; W170-Y175 HydrophobicContact CG-CD1 4.49Å; W170-Y175 AromaticContact CG-CE1 3.98Å; W170-Y175 HydrophobicContact CG-CE1 3.98Å; W170-Y175 AromaticContact NE1-CD1 3.89Å; W170-D179 PolarHBondContact NE1-OD1 3.37Å; W170-L182 HydrophobicContact CH2-CD1 3.56Å; W170-L182 HydrophobicContact CZ2-CD1 3.71Å
171	K	43.4	Very low	48.5	Very low	135 Å²	135	87.1 Å²	87.1	59%	0.587	42%	0.423	S	S	*	.	H	α-helix	trans	-60.2	-23.6	172.2	-74.9	175.8	-179.8	-180	0	112.8	Q167 T168	Q167-K171 WeakPolarHBondContact O-CG 3.27Å; Q167-K171 PolarHBondContact O-N 2.93Å; T168-K171 PolarHBondContact O-N 3.04Å
172	Q	42.2	Very low	48.2	Very low	123 Å²	123	86.5 Å²	86.5	58%	0.575	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	2.7	175.5	-65.9	175	6	0	0	113.5	T168 R169 W170 R174	T168-Q172 WeakPolarHBondContact O-CG 3.49Å; T168-Q172 PolarHBondContact O-N 2.84Å; R169-Q172 CarbonylContact O-C 3.54Å; R169-Q172 WeakPolarHBondContact O-CA 3.34Å; R169-Q172 WeakPolarHBondContact O-CB 3.39Å; R169-Q172 PolarHBondContact O-N 3.3Å; R169-Q172 VanDerWaalsContact O-N 3.09Å; W170-Q172 PolarHBondContact O-N 3.13Å; Q172-R174 PolarHBondContact O-N 2.87Å
173	G	40.2	Very low	47.8	Very low	49 Å²	49	88.2 Å²	88.2	51%	0.505	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	20.3	175.9	0	0	0	0	0	115.7	R169 W170	R169-G173 PolarHBondContact O-N 3.43Å; R169-G173 VanDerWaalsContact O-N 3.16Å; W170-G173 PolarHBondContact O-N 3.27Å
174	R	44.9	Very low	47.2	Very low	155 Å²	155	90.9 Å²	90.9	59%	0.585	44%	0.441	S	S	*	.			trans	-104.4	112.5	178.3	-70.3	-168.2	-77.4	-161.8	-3.9	110.8	R169 Q172	R169-R174 PolarHBondContact O-N 2.9Å; Q172-R174 PolarHBondContact O-N 2.87Å
175	Y	44.7	Very low	46.5	Very low	141 Å²	141	92.5 Å²	92.5	55%	0.553	44%	0.441	S	S	*	.			trans	-115.5	132.5	-179.1	-56.7	-84.8	0	0	0	110.6	W170 D179	W170-Y175 HydrophobicContact CB-CE1 4.35Å; W170-Y175 AromaticContact CD1-CD1 3.58Å; W170-Y175 AromaticContact CD1-CE1 3.48Å; W170-Y175 VanDerWaalsContact CD1-CE1 3.48Å; W170-Y175 HydrophobicContact CG-CD1 4.49Å; W170-Y175 AromaticContact CG-CE1 3.98Å; W170-Y175 HydrophobicContact CG-CE1 3.98Å; W170-Y175 AromaticContact NE1-CD1 3.89Å; Y175-D179 WeakPolarHBondContact CA-OD2 3.36Å
176	D	49.4	Very low	45.5	Very low	88 Å²	88	91 Å²	91	47%	0.471	44%	0.44	S	S	.	.			trans	-110.2	169.6	-179.3	-76.9	-4.7	0	0	0	112	R169 D178 D179	R169-D176 IonicContact CZ-OD2 2.81Å; R169-D176 IonicContact NH1-OD2 2.85Å; R169-D176 IonicContact NH2-OD1 3.79Å; R169-D176 IonicContact NH2-OD2 2.74Å; R169-D176 PolarHBondContact NH2-OD2 3.4Å; D176-D178 PolarHBondContact O-N 3.35Å; D176-D178 VanDerWaalsContact O-N 3.09Å; D176-D179 PolarHBondContact N-OD2 3.29Å; D176-D179 WeakPolarHBondContact O-CB 3.42Å; D176-D179 PolarHBondContact O-N 3.38Å
177	E	44.6	Very low	44.8	Very low	144 Å²	144	92.6 Å²	92.6	67%	0.673	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-53.9	-26.7	176.9	-90.6	-95.8	142	0	0	113.5	D179 K180	E177-D179 VanDerWaalsContact C-N 3.3Å; E177-D179 PolarHBondContact O-N 3.29Å; E177-K180 WeakPolarHBondContact O-CB 3.46Å; E177-K180 PolarHBondContact O-N 3.22Å; E177-K180 IonicContact OE1-NZ 3.32Å; E177-K180 PolarHBondContact OE1-NZ 2.99Å; E177-K180 IonicContact OE2-NZ 3.83Å; E177-K180 PolarHBondContact OE2-NZ 3.04Å
178	D	47.3	Very low	44.3	Very low	136 Å²	136	95.2 Å²	95.2	73%	0.727	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-74.7	-13.9	179	-65.8	-40.9	0	0	0	113.8	D176 K180 P181	D176-D178 PolarHBondContact O-N 3.35Å; D176-D178 VanDerWaalsContact O-N 3.09Å; D178-K180 VanDerWaalsContact C-N 3.29Å; D178-K180 PolarHBondContact O-N 3.01Å; D178-P181 WeakPolarHBondContact O-CD 3.43Å
179	D	48.3	Very low	43.8	Very low	10 Å²	10	95.8 Å²	95.8	5%	0.053	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-81.2	-4.6	176.7	-66.1	-48.5	0	0	0	113.3	W170 Y175 D176 E177 P181 L182 N183	W170-D179 PolarHBondContact NE1-OD1 3.37Å; Y175-D179 WeakPolarHBondContact CA-OD2 3.36Å; D176-D179 PolarHBondContact N-OD2 3.29Å; D176-D179 WeakPolarHBondContact O-CB 3.42Å; D176-D179 PolarHBondContact O-N 3.38Å; E177-D179 VanDerWaalsContact C-N 3.3Å; E177-D179 PolarHBondContact O-N 3.29Å; D179-P181 VanDerWaalsContact C-N 3.34Å; D179-P181 WeakPolarHBondContact O-CD 3.26Å; D179-P181 VanDerWaalsContact O-N 3.14Å; D179-L182 PolarHBondContact O-N 3.28Å; D179-N183 VanDerWaalsContact O-CG 3.29Å; D179-N183 PolarHBondContact O-ND2 2.95Å; D179-N183 PolarHBondContact O-OD1 2.74Å
180	K	47.9	Very low	43	Very low	120 Å²	120	92.7 Å²	92.7	52%	0.522	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-39.4	-178.6	-107	170.9	-174.6	158.2	0	116.3	E177 D178 L182 N183	E177-K180 WeakPolarHBondContact O-CB 3.46Å; E177-K180 PolarHBondContact O-N 3.22Å; E177-K180 IonicContact OE1-NZ 3.32Å; E177-K180 PolarHBondContact OE1-NZ 2.99Å; E177-K180 IonicContact OE2-NZ 3.83Å; E177-K180 PolarHBondContact OE2-NZ 3.04Å; D178-K180 VanDerWaalsContact C-N 3.29Å; D178-K180 PolarHBondContact O-N 3.01Å; K180-L182 VanDerWaalsContact C-N 3.32Å; K180-L182 PolarHBondContact O-N 2.95Å; K180-N183 PolarHBondContact O-N 3.39Å
181	P	43.6	Very low	42.6	Very low	52 Å²	52	92.3 Å²	92.3	34%	0.338	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.9	-176.8	-23	34.2	0	0	0	114.3	N157 D178 D179	N157-P181 VanDerWaalsContact OD1-CB 3.26Å; N157-P181 WeakPolarHBondContact OD1-CB 3.16Å; D178-P181 WeakPolarHBondContact O-CD 3.43Å; D179-P181 VanDerWaalsContact C-N 3.34Å; D179-P181 WeakPolarHBondContact O-CD 3.26Å; D179-P181 VanDerWaalsContact O-N 3.14Å
182	L	43	Very low	42.2	Very low	15 Å²	15	91.7 Å²	91.7	8%	0.079	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.8	-179.4	-74.4	163.6	0	0	0	112.7	N157 L160 I161 W170 D179 K180 Q184 F187 L188	N157-L182 HydrophobicContact CB-CD2 4.41Å; L160-L182 HydrophobicContact CB-CD1 4.35Å; I161-L182 HydrophobicContact CD1-CD2 3.79Å; I161-L182 HydrophobicContact CG1-CD1 4.14Å; I161-L182 HydrophobicContact CG1-CD2 3.92Å; W170-L182 HydrophobicContact CH2-CD1 3.56Å; W170-L182 HydrophobicContact CZ2-CD1 3.71Å; D179-L182 PolarHBondContact O-N 3.28Å; K180-L182 VanDerWaalsContact C-N 3.32Å; K180-L182 PolarHBondContact O-N 2.95Å; L182-Q184 VanDerWaalsContact C-N 3.26Å; L182-Q184 PolarHBondContact O-N 3.24Å; L182-F187 HydrophobicContact CD2-CD1 4.21Å; L182-F187 HydrophobicContact CD2-CE1 3.73Å; L182-L188 WeakPolarHBondContact O-CD1 3.35Å; L182-L188 WeakPolarHBondContact O-CG 3.25Å
183	N	40.7	Very low	41.9	Very low	93 Å²	93	90.3 Å²	90.3	50%	0.497	45%	0.45	S	S	.	.			trans	-83.9	-1.9	-173.7	-58.2	-6.2	0	0	0	112.7	D179 K180 R185	D179-N183 VanDerWaalsContact O-CG 3.29Å; D179-N183 PolarHBondContact O-ND2 2.95Å; D179-N183 PolarHBondContact O-OD1 2.74Å; K180-N183 PolarHBondContact O-N 3.39Å; N183-R185 PolarHBondContact O-N 3.41Å
184	Q	42	Very low	41.8	Very low	123 Å²	123	91.6 Å²	91.6	58%	0.575	45%	0.445	S	S	*	.			trans	-65.5	109.4	170.9	-76.4	-171.6	1.1	0	0	109.2	L182 S186 F187 L188	L182-Q184 VanDerWaalsContact C-N 3.26Å; L182-Q184 PolarHBondContact O-N 3.24Å; Q184-S186 PolarHBondContact O-N 3.35Å; Q184-F187 HydrophobicContact CB-CB 4.33Å; Q184-F187 WeakPolarHBondContact O-CA 3.12Å; Q184-F187 VanDerWaalsContact O-CB 3.3Å; Q184-F187 WeakPolarHBondContact O-CB 3.3Å; Q184-F187 PolarHBondContact O-N 3.01Å; Q184-L188 PolarHBondContact O-N 3.49Å
185	R	37.2	Very low	41.4	Very low	178 Å²	178	89.1 Å²	89.1	67%	0.672	44%	0.443	S	S	*	.	H	α-helix	trans	-50.5	-28.1	178.2	-166.8	-179.8	178	167.9	0.4	112.9	N183 L189	N183-R185 PolarHBondContact O-N 3.41Å; R185-L189 HydrophobicContact CG-CD1 3.68Å; R185-L189 HydrophobicContact CG-CG 4.1Å; R185-L189 WeakPolarHBondContact O-CB 3.2Å; R185-L189 WeakPolarHBondContact O-CD1 2.99Å; R185-L189 WeakPolarHBondContact O-CG 3.49Å; R185-L189 PolarHBondContact O-N 3.46Å
186	S	37	Very low	40.9	Very low	84 Å²	84	86.3 Å²	86.3	59%	0.587	44%	0.44	S	S	*	.	H	α-helix	trans	-67	-36.2	172.6	50.7	0	0	0	0	113.6	Q184 G190	Q184-S186 PolarHBondContact O-N 3.35Å; S186-G190 WeakPolarHBondContact O-CA 3.32Å; S186-G190 PolarHBondContact O-N 3.36Å
187	F	39.1	Very low	40.7	Very low	51 Å²	51	94.4 Å²	94.4	22%	0.224	46%	0.464	C	S	.	.	H	α-helix	trans	-71.9	-47.2	175.8	-169.9	-98.4	0	0	0	110.5	N157 L182 Q184 G190 H191	N157-F187 HydrophobicContact CB-CZ 4.34Å; L182-F187 HydrophobicContact CD2-CD1 4.21Å; L182-F187 HydrophobicContact CD2-CE1 3.73Å; Q184-F187 HydrophobicContact CB-CB 4.33Å; Q184-F187 WeakPolarHBondContact O-CA 3.12Å; Q184-F187 VanDerWaalsContact O-CB 3.3Å; Q184-F187 WeakPolarHBondContact O-CB 3.3Å; Q184-F187 PolarHBondContact O-N 3.01Å; F187-G190 PolarHBondContact O-N 3.04Å; F187-H191 WeakPolarHBondContact O-CB 3.48Å; F187-H191 PolarHBondContact O-N 3.45Å
188	L	38.7	Very low	40.6	Very low	95 Å²	95	89.6 Å²	89.6	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-67	-44.4	177.7	-66.5	171.3	0	0	0	112.5	L182 Q184 H191 E192	L182-L188 WeakPolarHBondContact O-CD1 3.35Å; L182-L188 WeakPolarHBondContact O-CG 3.25Å; Q184-L188 PolarHBondContact O-N 3.49Å; L188-H191 PolarHBondContact O-N 3.17Å; L188-E192 WeakPolarHBondContact O-CB 3.44Å; L188-E192 PolarHBondContact O-N 3.43Å
189	L	37.9	Very low	40.7	Very low	78 Å²	78	91.5 Å²	91.5	41%	0.408	45%	0.451	S	S	.	.	H	α-helix	trans	-69	-33.5	175.3	-71.7	170.9	0	0	0	112.5	R185 Q193	R185-L189 HydrophobicContact CG-CD1 3.68Å; R185-L189 HydrophobicContact CG-CG 4.1Å; R185-L189 WeakPolarHBondContact O-CB 3.2Å; R185-L189 WeakPolarHBondContact O-CD1 2.99Å; R185-L189 WeakPolarHBondContact O-CG 3.49Å; R185-L189 PolarHBondContact O-N 3.46Å; L189-Q193 WeakPolarHBondContact O-CG 3.29Å; L189-Q193 PolarHBondContact O-N 2.97Å
190	G	39.7	Very low	40.9	Very low	29 Å²	29	94.4 Å²	94.4	30%	0.299	47%	0.472	S	S	.	.	H	α-helix	trans	-65.2	-38.8	174.5	0	0	0	0	0	112.1	S186 F187 I194	S186-G190 WeakPolarHBondContact O-CA 3.32Å; S186-G190 PolarHBondContact O-N 3.36Å; F187-G190 PolarHBondContact O-N 3.04Å; G190-I194 WeakPolarHBondContact O-CD1 3.45Å; G190-I194 WeakPolarHBondContact O-CG1 3.48Å
191	H	42.3	Very low	41.5	Very low	39 Å²	39	92.2 Å²	92.2	18%	0.181	46%	0.461	C	S	.	.	H	α-helix	trans	-89	-28.4	-180	-110.8	-87.4	0	0	0	114.6	F187 L188 Q193 I194 L195	F187-H191 WeakPolarHBondContact O-CB 3.48Å; F187-H191 PolarHBondContact O-N 3.45Å; L188-H191 PolarHBondContact O-N 3.17Å; H191-Q193 PolarHBondContact O-N 3.4Å; H191-I194 CarbonylContact O-C 3.56Å; H191-I194 WeakPolarHBondContact O-CA 3.38Å; H191-I194 WeakPolarHBondContact O-CB 3.39Å; H191-I194 PolarHBondContact O-N 3.49Å; H191-L195 WeakPolarHBondContact O-CG 3.34Å; H191-L195 PolarHBondContact O-N 3.48Å
192	E	34.9	Very low	41.9	Very low	122 Å²	122	96 Å²	96	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-63.1	-31.3	172.1	-169.2	173.5	-155.6	0	0	111	L188 I194 L195 T196	L188-E192 WeakPolarHBondContact O-CB 3.44Å; L188-E192 PolarHBondContact O-N 3.43Å; E192-I194 VanDerWaalsContact C-N 3.35Å; E192-L195 PolarHBondContact O-N 3.14Å; E192-T196 PolarHBondContact O-N 3.28Å; E192-T196 PolarHBondContact O-OG1 2.88Å
193	Q	36.3	Very low	42.7	Very low	94 Å²	94	95.4 Å²	95.4	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-73.1	-20.3	168.4	-73.2	-179.6	1.9	0	0	114.2	L189 H191	L189-Q193 WeakPolarHBondContact O-CG 3.29Å; L189-Q193 PolarHBondContact O-N 2.97Å; H191-Q193 PolarHBondContact O-N 3.4Å
194	I	37.7	Very low	43.6	Very low	77 Å²	77	96.4 Å²	96.4	40%	0.395	49%	0.486	S	S	.	.	H	α-helix	trans	-83.4	-32.2	174.3	-65.1	168.5	0	0	0	110.3	G190 H191 E192	G190-I194 WeakPolarHBondContact O-CD1 3.45Å; G190-I194 WeakPolarHBondContact O-CG1 3.48Å; H191-I194 CarbonylContact O-C 3.56Å; H191-I194 WeakPolarHBondContact O-CA 3.38Å; H191-I194 WeakPolarHBondContact O-CB 3.39Å; H191-I194 PolarHBondContact O-N 3.49Å; E192-I194 VanDerWaalsContact C-N 3.35Å
195	L	36.2	Very low	44.1	Very low	102 Å²	102	97 Å²	97	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-91.1	-22.2	-175.6	-67.7	168.5	0	0	0	114	H191 E192	H191-L195 WeakPolarHBondContact O-CG 3.34Å; H191-L195 PolarHBondContact O-N 3.48Å; E192-L195 PolarHBondContact O-N 3.14Å
196	T	35.8	Very low	45	Very low	82 Å²	82	91.4 Å²	91.4	50%	0.503	48%	0.476	S	S	.	.	S	Bend	trans	-81.2	138.1	166.8	43.8	0	0	0	0	108.6	E192 A198	E192-T196 PolarHBondContact O-N 3.28Å; E192-T196 PolarHBondContact O-OG1 2.88Å; T196-A198 PolarHBondContact O-N 3.37Å
197	R	44.2	Very low	45.6	Very low	259 Å²	259	89.4 Å²	89.4	98%	0.977	47%	0.469	S	S	*	.			trans	-61.4	65.6	171.8	-85.7	174.1	156.3	154.5	-7.5	110.7	K199	R197-K199 PolarHBondContact O-N 3.13Å
198	A	43.5	Very low	46.1	Very low	43 Å²	43	93.3 Å²	93.3	36%	0.355	49%	0.486	S	S	.	.			trans	-66.5	124	175.2	0	0	0	0	0	107.5	T196 S200	T196-A198 PolarHBondContact O-N 3.37Å; A198-S200 PolarHBondContact O-N 3.12Å
199	K	48.6	Very low	46.4	Very low	176 Å²	176	92.4 Å²	92.4	77%	0.765	48%	0.484	S	S	*	.			trans	-45.3	110.6	173.4	-86.4	179	175	176.6	0	109	R197 Y201	R197-K199 PolarHBondContact O-N 3.13Å; K199-Y201 WeakPolarHBondContact O-CE2 3.36Å
200	S	52.8	Low	47.7	Very low	71 Å²	71	89.9 Å²	89.9	50%	0.497	47%	0.471	S	S	.	.			trans	-86.2	134.8	173.8	54.5	0	0	0	0	109.2	A198 V209	A198-S200 PolarHBondContact O-N 3.12Å; S200-V209 VanDerWaalsContact CB-CG1 3.47Å
201	Y	59.3	Low	48.1	Very low	73 Å²	73	96.5 Å²	96.5	29%	0.286	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.3	177.5	-57.1	-91.7	0	0	0	108.1	K199 I210 K213 F216	K199-Y201 WeakPolarHBondContact O-CE2 3.36Å; Y201-I210 PolarHBondContact N-O 3.24Å; Y201-I210 PolarHBondContact O-N 3.27Å; Y201-K213 HydrophobicContact CD2-CB 4.37Å; Y201-K213 HydrophobicContact CE1-CB 4.34Å; Y201-K213 HydrophobicContact CE1-CD 4.24Å; Y201-K213 HydrophobicContact CE1-CG 4.12Å; Y201-K213 HydrophobicContact CE2-CB 3.69Å; Y201-K213 HydrophobicContact CE2-CG 4.35Å; Y201-F216 HydrophobicContact CD1-CD1 4.16Å; Y201-F216 HydrophobicContact CD1-CE1 4.45Å; Y201-F216 HydrophobicContact CD2-CB 4.37Å; Y201-F216 HydrophobicContact CG-CB 4.1Å; Y201-F216 HydrophobicContact CG-CD1 4.05Å; Y201-F216 HydrophobicContact CG-CD2 4.47Å; Y201-F216 AromaticContact CG-CG 3.96Å; Y201-F216 HydrophobicContact CG-CG 3.96Å; Y201-F216 WeakPolarHBondContact O-CD2 3.41Å
202	E	53.4	Low	48.6	Very low	132 Å²	132	100.1 Å²	100.1	62%	0.617	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.7	178.8	-175.6	174.3	177.5	0	0	110.2	S204 V209 F216	E202-S204 PolarHBondContact O-N 2.96Å; E202-V209 HydrophobicContact CB-CG2 4.27Å; E202-V209 HydrophobicContact CG-CG2 4.03Å; E202-F216 WeakPolarHBondContact O-CE2 3.27Å
203	C	59.2	Low	49.4	Very low	2 Å²	2	100.1 Å²	100.1	1%	0.014	50%	0.497	C	S	.	.			trans	-80.8	116.9	178.2	-177.1	0	0	0	0	109.9	E205 C206 G207 K208 F216 H219 H223	C203-E205 PolarHBondContact O-N 3.4Å; C203-E205 VanDerWaalsContact O-N 3.15Å; C203-C206 PolarHBondContact O-N 3.16Å; C203-G207 VanDerWaalsContact O-CA 3.29Å; C203-G207 WeakPolarHBondContact O-CA 3.3Å; C203-G207 PolarHBondContact O-N 2.8Å; C203-K208 PolarHBondContact N-O 3.19Å; C203-F216 HydrophobicContact CB-CE2 4.04Å; C203-H219 WeakPolarHBondContact CB-NE2 3.34Å; C203-H219 PolarHBondContact SG-NE2 3.35Å; C203-H223 PolarHBondContact SG-CD2 3.39Å; C203-H223 PolarHBondContact SG-NE2 3.24Å
204	S	59.6	Low	50.3	Low	115 Å²	115	98.8 Å²	98.8	80%	0.804	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.2	179.9	49.7	0	0	0	0	114.6	E202	E202-S204 PolarHBondContact O-N 2.96Å
205	E	53.7	Low	51	Low	134 Å²	134	102.2 Å²	102.2	63%	0.626	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-24.4	-177.1	-65.4	-154.2	-167.7	0	0	114.7	C203 H223	C203-E205 PolarHBondContact O-N 3.4Å; C203-E205 VanDerWaalsContact O-N 3.15Å; E205-H223 IonicContact OE2-CG 3.95Å
206	C	54.5	Low	52.2	Low	62 Å²	62	98.4 Å²	98.4	42%	0.419	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	8.2	-178.9	71.3	0	0	0	0	114.9	C203 K208 H219 H223	C203-C206 PolarHBondContact O-N 3.16Å; C206-K208 PolarHBondContact O-N 3.48Å; C206-H219 PolarHBondContact SG-CE1 3.17Å; C206-H219 PolarHBondContact SG-NE2 3.23Å; C206-H223 VanDerWaalsContact SG-CE1 3.59Å; C206-H223 PolarHBondContact SG-NE2 3.45Å
207	G	50.3	Low	53.4	Low	42 Å²	42	97.6 Å²	97.6	43%	0.433	48%	0.482	S	S	.	.			trans	65	9.2	177	0	0	0	0	0	114.6	C203 V209	C203-G207 VanDerWaalsContact O-CA 3.29Å; C203-G207 WeakPolarHBondContact O-CA 3.3Å; C203-G207 PolarHBondContact O-N 2.8Å; G207-V209 PolarHBondContact O-N 3.2Å
208	K	49.1	Very low	54.2	Low	133 Å²	133	88.6 Å²	88.6	58%	0.578	45%	0.45	S	S	*	.			trans	-72.4	119.9	179.8	-100.1	-176.8	175.1	177.7	0	110.5	C203 C206	C203-K208 PolarHBondContact N-O 3.19Å; C206-K208 PolarHBondContact O-N 3.48Å
209	V	46.4	Very low	55.1	Low	76 Å²	76	87.4 Å²	87.4	46%	0.461	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.3	175.9	-176.3	0	0	0	0	109.4	S200 E202 G207	S200-V209 VanDerWaalsContact CB-CG1 3.47Å; E202-V209 HydrophobicContact CB-CG2 4.27Å; E202-V209 HydrophobicContact CG-CG2 4.03Å; G207-V209 PolarHBondContact O-N 3.2Å
210	I	64.3	Low	55.6	Low	25 Å²	25	81.9 Å²	81.9	13%	0.128	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.1	-176	-60.5	172.6	0	0	0	109.6	Y201 W215 F216 H219	Y201-I210 PolarHBondContact N-O 3.24Å; Y201-I210 PolarHBondContact O-N 3.27Å; I210-W215 HydrophobicContact CG2-CB 3.67Å; I210-F216 HydrophobicContact CB-CB 4.12Å; I210-F216 HydrophobicContact CB-CD2 4.29Å; I210-F216 HydrophobicContact CD1-CD2 4.39Å; I210-F216 HydrophobicContact CG2-CB 4.1Å; I210-H219 HydrophobicContact CD1-CB 3.15Å; I210-H219 VanDerWaalsContact CD1-CD2 3.42Å; I210-H219 WeakPolarHBondContact CD1-CD2 3.38Å
211	R	47.5	Very low	56	Low	167 Å²	167	82.6 Å²	82.6	63%	0.63	41%	0.406	S	S	*	.	S	Bend	trans	-86.9	-10.9	-169	-62.3	-174.8	172.8	108.4	-0.4	114.4
212	R	53.2	Low	55.9	Low	116 Å²	116	83.6 Å²	83.6	44%	0.438	42%	0.416	S	S	.	.	S	Bend	trans	-119.1	127.7	178.4	-69.5	-175.8	177.2	177.3	-1	110.3	A214 W215 F216	R212-A214 PolarHBondContact O-N 2.75Å; R212-W215 HydrophobicContact CB-CB 4.16Å; R212-W215 HydrophobicContact CB-CD2 4.39Å; R212-W215 HydrophobicContact CB-CG 4.03Å; R212-W215 PolarHBondContact O-N 3.19Å; R212-F216 PolarHBondContact O-N 2.83Å
213	K	52.6	Low	56	Low	122 Å²	122	80 Å²	80	53%	0.53	40%	0.399	S	S	.	.	H	α-helix	trans	-55.8	-46.9	-179.9	-169.2	171.9	177.3	172.3	0	112.4	Y201 W215 F216 D217	Y201-K213 HydrophobicContact CD2-CB 4.37Å; Y201-K213 HydrophobicContact CE1-CB 4.34Å; Y201-K213 HydrophobicContact CE1-CD 4.24Å; Y201-K213 HydrophobicContact CE1-CG 4.12Å; Y201-K213 HydrophobicContact CE2-CB 3.69Å; Y201-K213 HydrophobicContact CE2-CG 4.35Å; K213-W215 PolarHBondContact O-N 2.99Å; K213-W215 VanDerWaalsContact O-N 3.17Å; K213-F216 CarbonylContact O-C 3.48Å; K213-F216 WeakPolarHBondContact O-CA 3.39Å; K213-F216 WeakPolarHBondContact O-CB 3.35Å; K213-F216 PolarHBondContact O-N 2.96Å; K213-D217 PolarHBondContact O-N 2.99Å
214	A	55.6	Low	55.6	Low	66 Å²	66	86 Å²	86	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-58.6	-32.6	177.6	0	0	0	0	0	113.9	R212 Q218	R212-A214 PolarHBondContact O-N 2.75Å; A214-Q218 WeakPolarHBondContact O-CB 3.27Å; A214-Q218 PolarHBondContact O-N 2.79Å; A214-Q218 VanDerWaalsContact O-N 3.08Å
215	W	52.4	Low	55.3	Low	149 Å²	149	88.1 Å²	88.1	56%	0.564	43%	0.426	S	S	*	.	H	α-helix	trans	-82.9	-31.7	177.9	-66.9	13.5	0	0	0	111.4	I210 R212 K213 Q218 H219	I210-W215 HydrophobicContact CG2-CB 3.67Å; R212-W215 HydrophobicContact CB-CB 4.16Å; R212-W215 HydrophobicContact CB-CD2 4.39Å; R212-W215 HydrophobicContact CB-CG 4.03Å; R212-W215 PolarHBondContact O-N 3.19Å; K213-W215 PolarHBondContact O-N 2.99Å; K213-W215 VanDerWaalsContact O-N 3.17Å; W215-Q218 PolarHBondContact O-N 3.06Å; W215-H219 WeakPolarHBondContact O-CB 3.42Å; W215-H219 PolarHBondContact O-N 3.07Å
216	F	61.1	Low	55.3	Low	22 Å²	22	89 Å²	89	10%	0.096	43%	0.431	C	S	.	.	H	α-helix	trans	-65.3	-47.4	170.4	178.7	-104.6	0	0	0	110.9	Y201 E202 C203 I210 R212 K213 Q218 H219 Q220	Y201-F216 HydrophobicContact CD1-CD1 4.16Å; Y201-F216 HydrophobicContact CD1-CE1 4.45Å; Y201-F216 HydrophobicContact CD2-CB 4.37Å; Y201-F216 HydrophobicContact CG-CB 4.1Å; Y201-F216 HydrophobicContact CG-CD1 4.05Å; Y201-F216 HydrophobicContact CG-CD2 4.47Å; Y201-F216 AromaticContact CG-CG 3.96Å; Y201-F216 HydrophobicContact CG-CG 3.96Å; Y201-F216 WeakPolarHBondContact O-CD2 3.41Å; E202-F216 WeakPolarHBondContact O-CE2 3.27Å; C203-F216 HydrophobicContact CB-CE2 4.04Å; I210-F216 HydrophobicContact CB-CB 4.12Å; I210-F216 HydrophobicContact CB-CD2 4.29Å; I210-F216 HydrophobicContact CD1-CD2 4.39Å; I210-F216 HydrophobicContact CG2-CB 4.1Å; R212-F216 PolarHBondContact O-N 2.83Å; K213-F216 CarbonylContact O-C 3.48Å; K213-F216 WeakPolarHBondContact O-CA 3.39Å; K213-F216 WeakPolarHBondContact O-CB 3.35Å; K213-F216 PolarHBondContact O-N 2.96Å; F216-Q218 VanDerWaalsContact C-N 3.27Å; F216-Q218 PolarHBondContact O-N 3.47Å; F216-H219 CarbonylContact O-C 3.41Å; F216-H219 WeakPolarHBondContact O-CA 3.24Å; F216-H219 WeakPolarHBondContact O-CB 3.07Å; F216-H219 PolarHBondContact O-N 3.44Å; F216-Q220 HydrophobicContact CD1-CG 4.26Å; F216-Q220 HydrophobicContact CE1-CG 3.92Å; F216-Q220 HydrophobicContact CE2-CG 4.23Å; F216-Q220 HydrophobicContact CZ-CG 3.91Å; F216-Q220 WeakPolarHBondContact O-CG 3.32Å; F216-Q220 PolarHBondContact O-N 2.92Å
217	D	61.2	Low	55.7	Low	65 Å²	65	89 Å²	89	35%	0.348	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-37.3	173.9	-58.6	-23.8	0	0	0	110.8	K213 R221	K213-D217 PolarHBondContact O-N 2.99Å; D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 3.09Å; D217-R221 PolarHBondContact O-NE 3.44Å
218	Q	60.2	Low	56.5	Low	69 Å²	69	90.6 Å²	90.6	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-66.6	-37	171.6	-172.5	175.7	10.1	0	0	113.5	A214 W215 F216 R221	A214-Q218 WeakPolarHBondContact O-CB 3.27Å; A214-Q218 PolarHBondContact O-N 2.79Å; A214-Q218 VanDerWaalsContact O-N 3.08Å; W215-Q218 PolarHBondContact O-N 3.06Å; F216-Q218 VanDerWaalsContact C-N 3.27Å; F216-Q218 PolarHBondContact O-N 3.47Å; Q218-R221 WeakPolarHBondContact O-CB 3.46Å; Q218-R221 PolarHBondContact O-N 3.35Å
219	H	63	Low	57.3	Low	18 Å²	18	86.7 Å²	86.7	8%	0.083	41%	0.412	C	S	.	.	H	α-helix	trans	-74.6	-36.6	178.7	170.5	75.4	0	0	0	112.3	C203 C206 I210 W215 F216 R221 I222 H223	C203-H219 WeakPolarHBondContact CB-NE2 3.34Å; C203-H219 PolarHBondContact SG-NE2 3.35Å; C206-H219 PolarHBondContact SG-CE1 3.17Å; C206-H219 PolarHBondContact SG-NE2 3.23Å; I210-H219 HydrophobicContact CD1-CB 3.15Å; I210-H219 VanDerWaalsContact CD1-CD2 3.42Å; I210-H219 WeakPolarHBondContact CD1-CD2 3.38Å; W215-H219 WeakPolarHBondContact O-CB 3.42Å; W215-H219 PolarHBondContact O-N 3.07Å; F216-H219 CarbonylContact O-C 3.41Å; F216-H219 WeakPolarHBondContact O-CA 3.24Å; F216-H219 WeakPolarHBondContact O-CB 3.07Å; F216-H219 PolarHBondContact O-N 3.44Å; H219-R221 PolarHBondContact O-N 3.28Å; H219-I222 WeakPolarHBondContact O-CB 3.16Å; H219-I222 WeakPolarHBondContact O-CG1 3.15Å; H219-I222 PolarHBondContact O-N 3.15Å; H219-H223 AromaticContact CE1-NE2 3.83Å; H219-H223 AromaticContact NE2-NE2 3.46Å; H219-H223 PolarHBondContact NE2-NE2 3.14Å
220	Q	57.6	Low	58.4	Low	61 Å²	61	88.7 Å²	88.7	29%	0.285	42%	0.416	S	S	.	.	H	α-helix	trans	-60.4	-32.9	172.9	-72.9	-172.8	-60.8	0	0	111.3	F216 I222 H223 F224	F216-Q220 HydrophobicContact CD1-CG 4.26Å; F216-Q220 HydrophobicContact CE1-CG 3.92Å; F216-Q220 HydrophobicContact CE2-CG 4.23Å; F216-Q220 HydrophobicContact CZ-CG 3.91Å; F216-Q220 WeakPolarHBondContact O-CG 3.32Å; F216-Q220 PolarHBondContact O-N 2.92Å; Q220-I222 PolarHBondContact O-N 3.43Å; Q220-H223 PolarHBondContact O-N 3.49Å; Q220-F224 VanDerWaalsContact O-CD2 3.32Å; Q220-F224 WeakPolarHBondContact O-CD2 3.41Å; Q220-F224 PolarHBondContact O-N 3.31Å
221	R	61.9	Low	58.9	Low	86 Å²	86	87.6 Å²	87.6	33%	0.325	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-5.3	170.7	-69.1	-178	-73.5	-154.5	-4.7	114.9	D217 Q218 H219	D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 3.09Å; D217-R221 PolarHBondContact O-NE 3.44Å; Q218-R221 WeakPolarHBondContact O-CB 3.46Å; Q218-R221 PolarHBondContact O-N 3.35Å; H219-R221 PolarHBondContact O-N 3.28Å
222	I	56.4	Low	60	Low	94 Å²	94	89.7 Å²	89.7	48%	0.482	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-30.4	170.1	-57.7	176.1	0	0	0	110.4	H219 Q220	H219-I222 WeakPolarHBondContact O-CB 3.16Å; H219-I222 WeakPolarHBondContact O-CG1 3.15Å; H219-I222 PolarHBondContact O-N 3.15Å; Q220-I222 PolarHBondContact O-N 3.43Å
223	H	55.5	Low	60.6	Low	56 Å²	56	89.3 Å²	89.3	26%	0.259	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-30.4	-178.7	-58.1	-54.6	0	0	0	112.4	C203 E205 C206 H219 Q220	C203-H223 PolarHBondContact SG-CD2 3.39Å; C203-H223 PolarHBondContact SG-NE2 3.24Å; E205-H223 IonicContact OE2-CG 3.95Å; C206-H223 VanDerWaalsContact SG-CE1 3.59Å; C206-H223 PolarHBondContact SG-NE2 3.45Å; H219-H223 AromaticContact CE1-NE2 3.83Å; H219-H223 AromaticContact NE2-NE2 3.46Å; H219-H223 PolarHBondContact NE2-NE2 3.14Å; Q220-H223 PolarHBondContact O-N 3.49Å
224	F	52.5	Low	61.3	Low	128 Å²	128	85.9 Å²	85.9	56%	0.561	43%	0.426	S	S	*	.	S	Bend	trans	-83.2	126.3	170.1	-65.9	-80.7	0	0	0	111.1	Q220 E226	Q220-F224 VanDerWaalsContact O-CD2 3.32Å; Q220-F224 WeakPolarHBondContact O-CD2 3.41Å; Q220-F224 PolarHBondContact O-N 3.31Å; F224-E226 PolarHBondContact O-N 3.38Å; F224-E226 VanDerWaalsContact O-N 3.11Å
225	L	52.9	Low	61.8	Low	159 Å²	159	84.8 Å²	84.8	83%	0.832	42%	0.421	S	S	*	.			trans	-68	-2.4	177.1	-77.6	163.8	0	0	0	114	N227	L225-N227 PolarHBondContact O-N 3.46Å
226	E	53.6	Low	62.5	Low	154 Å²	154	79.9 Å²	79.9	72%	0.72	40%	0.404	S	S	*	.			trans	-76	112.9	179.1	-67.6	-167.3	165.4	0	0	110.7	F224 P228	F224-E226 PolarHBondContact O-N 3.38Å; F224-E226 VanDerWaalsContact O-N 3.11Å; E226-P228 WeakPolarHBondContact O-CD 3.38Å
227	N	63	Low	62.9	Low	62 Å²	62	80.6 Å²	80.6	33%	0.332	41%	0.414	S	S	.	.			trans	-88	98.2	171.8	-71.9	-49	0	0	0	108.5	L225 F229 A237 F238 R239	L225-N227 PolarHBondContact O-N 3.46Å; N227-F229 PolarHBondContact O-N 2.9Å; N227-A237 HydrophobicContact CB-CB 3.32Å; N227-F238 CarbonylContact C-O 3.03Å; N227-R239 WeakPolarHBondContact OD1-CG 3.42Å
228	P	66.3	Low	63.3	Low	75 Å²	75	78.2 Å²	78.2	49%	0.487	40%	0.401	S	S	.	.			trans	-75.1	-15.6	-166.4	-13.8	31.2	0	0	0	113.1	E226	E226-P228 WeakPolarHBondContact O-CD 3.38Å
229	F	67.3	Low	63.4	Low	51 Å²	51	81.3 Å²	81.3	22%	0.224	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	88.5	-173.5	-57.8	-73.9	0	0	0	110.1	N227 F238 R241 L244	N227-F229 PolarHBondContact O-N 2.9Å; F229-F238 HydrophobicContact CB-CB 4.27Å; F229-F238 WeakPolarHBondContact CB-O 3.43Å; F229-F238 PolarHBondContact N-O 2.93Å; F229-F238 WeakPolarHBondContact O-CD2 3.36Å; F229-F238 PolarHBondContact O-N 3.22Å; F229-R241 HydrophobicContact CD1-CB 4.02Å; F229-R241 HydrophobicContact CD1-CG 4.36Å; F229-R241 HydrophobicContact CE1-CB 3.84Å; F229-R241 HydrophobicContact CE1-CG 4.31Å; F229-R241 HydrophobicContact CE2-CB 4.46Å; F229-R241 HydrophobicContact CG-CB 4.41Å; F229-R241 HydrophobicContact CZ-CB 4.07Å; F229-L244 HydrophobicContact CB-CB 4.17Å; F229-L244 HydrophobicContact CB-CD2 3.9Å
230	E	67.6	Low	63.3	Low	117 Å²	117	84.7 Å²	84.7	55%	0.547	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.5	179.1	-163.8	-177	162.8	0	0	112.8	K232 G235 A237	E230-K232 PolarHBondContact O-N 3.22Å; E230-G235 WeakPolarHBondContact OE1-CA 3.44Å; E230-A237 HydrophobicContact CG-CB 4.48Å
231	C	74.9	Confident	63.8	Low	2 Å²	2	90.5 Å²	90.5	1%	0.014	45%	0.445	C	S	.	.			trans	-79.9	110.5	169	-173.6	0	0	0	0	111	V233 C234 G235 Q236 F238 L244 H247 H251	C231-V233 PolarHBondContact O-N 2.87Å; C231-C234 PolarHBondContact O-N 3.49Å; C231-G235 WeakPolarHBondContact O-CA 3.49Å; C231-G235 PolarHBondContact O-N 3.06Å; C231-Q236 WeakPolarHBondContact CB-O 3.19Å; C231-Q236 PolarHBondContact N-O 2.7Å; C231-F238 HydrophobicContact CB-CE2 4.29Å; C231-L244 HydrophobicContact CB-CD1 3.69Å; C231-H247 WeakPolarHBondContact CB-NE2 3.35Å; C231-H247 PolarHBondContact SG-NE2 3.11Å; C231-H247 VanDerWaalsContact SG-NE2 3.37Å; C231-H251 VanDerWaalsContact SG-CD2 3.58Å; C231-H251 PolarHBondContact SG-NE2 2.9Å
232	K	71.1	Confident	64.1	Low	212 Å²	212	89.7 Å²	89.7	92%	0.922	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.5	176	-61.1	-169.5	177	-172	0	115.3	E230	E230-K232 PolarHBondContact O-N 3.22Å
233	V	66.4	Low	64.7	Low	108 Å²	108	87.1 Å²	87.1	66%	0.655	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-33.8	-178	-178.4	0	0	0	0	112.2	C231	C231-V233 PolarHBondContact O-N 2.87Å
234	C	67.4	Low	65.6	Low	50 Å²	50	85.2 Å²	85.2	34%	0.338	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	7.6	-175	73.8	0	0	0	0	114.8	C231 Q236 H247	C231-C234 PolarHBondContact O-N 3.49Å; C234-Q236 PolarHBondContact O-N 3.13Å; C234-Q236 VanDerWaalsContact O-N 3.1Å; C234-Q236 VanDerWaalsContact SG-CB 3.57Å; C234-H247 PolarHBondContact SG-CE1 3.32Å; C234-H247 PolarHBondContact SG-NE2 2.91Å
235	G	65.6	Low	66.5	Low	43 Å²	43	82.7 Å²	82.7	44%	0.443	43%	0.432	S	S	.	.			trans	67.1	7.4	179	0	0	0	0	0	114.9	E230 C231 A237	E230-G235 WeakPolarHBondContact OE1-CA 3.44Å; C231-G235 WeakPolarHBondContact O-CA 3.49Å; C231-G235 PolarHBondContact O-N 3.06Å; G235-A237 PolarHBondContact O-N 3.4Å
236	Q	67.8	Low	67.3	Low	45 Å²	45	78.4 Å²	78.4	21%	0.21	41%	0.412	C	S	.	.			trans	-78	124.9	-177.1	-168.5	171.7	4.3	0	0	109.9	C231 C234 F238 H247 H260	C231-Q236 WeakPolarHBondContact CB-O 3.19Å; C231-Q236 PolarHBondContact N-O 2.7Å; C234-Q236 PolarHBondContact O-N 3.13Å; C234-Q236 VanDerWaalsContact O-N 3.1Å; C234-Q236 VanDerWaalsContact SG-CB 3.57Å; Q236-F238 HydrophobicContact CB-CE2 3.96Å; Q236-F238 HydrophobicContact CB-CZ 4.1Å; Q236-F238 HydrophobicContact CG-CE1 4.44Å; Q236-F238 HydrophobicContact CG-CE2 3.91Å; Q236-F238 HydrophobicContact CG-CZ 3.68Å; Q236-F238 WeakPolarHBondContact O-CD2 3.12Å; Q236-F238 WeakPolarHBondContact O-CE2 3.49Å; Q236-H247 PolarHBondContact OE1-CE1 2.61Å; Q236-H247 VanDerWaalsContact OE1-CE1 3.28Å; Q236-H260 PolarHBondContact NE2-CE1 3.05Å; Q236-H260 PolarHBondContact NE2-NE2 2.89Å
237	A	68.5	Low	68.2	Low	38 Å²	38	71.1 Å²	71.1	31%	0.314	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.6	-177.2	0	0	0	0	0	112	N227 E230 G235	N227-A237 HydrophobicContact CB-CB 3.32Å; E230-A237 HydrophobicContact CG-CB 4.48Å; G235-A237 PolarHBondContact O-N 3.4Å
238	F	69.4	Low	68.7	Low	15 Å²	15	73.5 Å²	73.5	7%	0.066	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.4	-175.9	-60.8	-90.3	0	0	0	111.3	N227 F229 C231 Q236 Q240 A243 L244 H247	N227-F238 CarbonylContact C-O 3.03Å; F229-F238 HydrophobicContact CB-CB 4.27Å; F229-F238 WeakPolarHBondContact CB-O 3.43Å; F229-F238 PolarHBondContact N-O 2.93Å; F229-F238 WeakPolarHBondContact O-CD2 3.36Å; F229-F238 PolarHBondContact O-N 3.22Å; C231-F238 HydrophobicContact CB-CE2 4.29Å; Q236-F238 HydrophobicContact CB-CE2 3.96Å; Q236-F238 HydrophobicContact CB-CZ 4.1Å; Q236-F238 HydrophobicContact CG-CE1 4.44Å; Q236-F238 HydrophobicContact CG-CE2 3.91Å; Q236-F238 HydrophobicContact CG-CZ 3.68Å; Q236-F238 WeakPolarHBondContact O-CD2 3.12Å; Q236-F238 WeakPolarHBondContact O-CE2 3.49Å; F238-Q240 VanDerWaalsContact C-N 3.34Å; F238-A243 HydrophobicContact CB-CB 4.26Å; F238-A243 HydrophobicContact CD1-CB 3.89Å; F238-A243 HydrophobicContact CG-CB 4.39Å; F238-L244 HydrophobicContact CB-CB 4.23Å; F238-L244 HydrophobicContact CD2-CB 3.89Å; F238-L244 HydrophobicContact CD2-CD1 3.65Å; F238-L244 HydrophobicContact CD2-CG 4.36Å; F238-L244 HydrophobicContact CE2-CD1 3.83Å; F238-L244 HydrophobicContact CG-CB 4.16Å; F238-H247 HydrophobicContact CE1-CB 3.8Å; F238-H247 HydrophobicContact CE2-CB 3.86Å; F238-H247 AromaticContact CE2-CD2 3.46Å; F238-H247 VanDerWaalsContact CE2-CD2 3.46Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.35Å; F238-H247 AromaticContact CE2-CG 3.56Å; F238-H247 AromaticContact CE2-NE2 3.98Å; F238-H247 HydrophobicContact CZ-CB 3.34Å; F238-H247 AromaticContact CZ-CD2 3.56Å; F238-H247 AromaticContact CZ-CE1 3.93Å; F238-H247 AromaticContact CZ-CG 3.14Å; F238-H247 AromaticContact CZ-ND1 3.43Å; F238-H247 WeakPolarHBondContact CZ-ND1 3.49Å
239	R	62.2	Low	68.9	Low	133 Å²	133	75.3 Å²	75.3	50%	0.502	39%	0.387	S	S	.	.	S	Bend	trans	-73.9	-23.9	175.5	-63.3	-177.2	-177.6	175.4	-3.3	113.5	N227	N227-R239 WeakPolarHBondContact OD1-CG 3.42Å
240	Q	62.2	Low	69	Low	89 Å²	89	73.5 Å²	73.5	42%	0.416	38%	0.381	S	S	.	.	S	Bend	trans	-133	142.4	-175.8	-60.6	-176.6	5	0	0	111.2	F238 S242 A243 L244	F238-Q240 VanDerWaalsContact C-N 3.34Å; Q240-S242 VanDerWaalsContact C-N 3.28Å; Q240-S242 PolarHBondContact O-N 3Å; Q240-S242 PolarHBondContact OE1-OG 2.78Å; Q240-A243 HydrophobicContact CB-CB 4.37Å; Q240-A243 WeakPolarHBondContact O-CB 3.34Å; Q240-A243 PolarHBondContact O-N 3Å; Q240-L244 PolarHBondContact O-N 3.37Å
241	R	67.9	Low	69	Low	184 Å²	184	69.3 Å²	69.3	69%	0.694	36%	0.361	S	S	*	.	H	α-helix	trans	-60.4	-37.6	175.9	-169.5	173.7	-179.6	157.6	-1.4	112.1	F229 A243 L244 T245	F229-R241 HydrophobicContact CD1-CB 4.02Å; F229-R241 HydrophobicContact CD1-CG 4.36Å; F229-R241 HydrophobicContact CE1-CB 3.84Å; F229-R241 HydrophobicContact CE1-CG 4.31Å; F229-R241 HydrophobicContact CE2-CB 4.46Å; F229-R241 HydrophobicContact CG-CB 4.41Å; F229-R241 HydrophobicContact CZ-CB 4.07Å; R241-A243 VanDerWaalsContact C-N 3.34Å; R241-A243 PolarHBondContact O-N 3.48Å; R241-L244 PolarHBondContact O-N 3.34Å; R241-T245 PolarHBondContact O-N 2.93Å; R241-T245 PolarHBondContact O-OG1 3.4Å; R241-T245 VanDerWaalsContact O-OG1 3.1Å
242	S	68.4	Low	68.6	Low	69 Å²	69	76.4 Å²	76.4	48%	0.483	40%	0.398	S	S	.	.	H	α-helix	trans	-57.4	-44.4	174.6	52	0	0	0	0	112.3	Q240 T245 V246	Q240-S242 VanDerWaalsContact C-N 3.28Å; Q240-S242 PolarHBondContact O-N 3Å; Q240-S242 PolarHBondContact OE1-OG 2.78Å; S242-T245 PolarHBondContact O-N 3.02Å; S242-V246 WeakPolarHBondContact O-CG2 3.49Å; S242-V246 PolarHBondContact O-N 3.44Å
243	A	67.3	Low	68.3	Low	40 Å²	40	72.3 Å²	72.3	33%	0.331	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-38.7	177.6	0	0	0	0	0	112.1	F238 Q240 R241 H247	F238-A243 HydrophobicContact CB-CB 4.26Å; F238-A243 HydrophobicContact CD1-CB 3.89Å; F238-A243 HydrophobicContact CG-CB 4.39Å; Q240-A243 HydrophobicContact CB-CB 4.37Å; Q240-A243 WeakPolarHBondContact O-CB 3.34Å; Q240-A243 PolarHBondContact O-N 3Å; R241-A243 VanDerWaalsContact C-N 3.34Å; R241-A243 PolarHBondContact O-N 3.48Å; A243-H247 WeakPolarHBondContact O-CB 3.06Å; A243-H247 PolarHBondContact O-N 3.42Å
244	L	74.4	Confident	68.4	Low	15 Å²	15	73 Å²	73	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-64.1	-41.4	172.4	175.4	62.8	0	0	0	111.7	F229 C231 F238 Q240 R241 H247 K248	F229-L244 HydrophobicContact CB-CB 4.17Å; F229-L244 HydrophobicContact CB-CD2 3.9Å; C231-L244 HydrophobicContact CB-CD1 3.69Å; F238-L244 HydrophobicContact CB-CB 4.23Å; F238-L244 HydrophobicContact CD2-CB 3.89Å; F238-L244 HydrophobicContact CD2-CD1 3.65Å; F238-L244 HydrophobicContact CD2-CG 4.36Å; F238-L244 HydrophobicContact CE2-CD1 3.83Å; F238-L244 HydrophobicContact CG-CB 4.16Å; Q240-L244 PolarHBondContact O-N 3.37Å; R241-L244 PolarHBondContact O-N 3.34Å; L244-H247 PolarHBondContact O-N 3.26Å; L244-K248 HydrophobicContact CD1-CG 4.38Å; L244-K248 WeakPolarHBondContact O-CG 3.32Å; L244-K248 PolarHBondContact O-N 2.87Å
245	T	72.4	Confident	68.8	Low	76 Å²	76	74.6 Å²	74.6	47%	0.466	38%	0.384	S	S	.	.	H	α-helix	trans	-62	-45.8	177.9	-60	0	0	0	0	111.8	R241 S242 H247 K248 Q249	R241-T245 PolarHBondContact O-N 2.93Å; R241-T245 PolarHBondContact O-OG1 3.4Å; R241-T245 VanDerWaalsContact O-OG1 3.1Å; S242-T245 PolarHBondContact O-N 3.02Å; T245-H247 VanDerWaalsContact C-N 3.32Å; T245-H247 PolarHBondContact O-N 3.44Å; T245-K248 WeakPolarHBondContact O-CB 3.21Å; T245-K248 PolarHBondContact O-N 3.42Å; T245-Q249 PolarHBondContact O-N 3.24Å
246	V	69.4	Low	69.1	Low	68 Å²	68	74 Å²	74	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-40	174.8	174.9	0	0	0	0	111	S242 K248 Q249	S242-V246 WeakPolarHBondContact O-CG2 3.49Å; S242-V246 PolarHBondContact O-N 3.44Å; V246-K248 VanDerWaalsContact C-N 3.34Å; V246-K248 PolarHBondContact O-N 2.95Å; V246-Q249 WeakPolarHBondContact O-CB 3.47Å; V246-Q249 PolarHBondContact O-N 3.29Å
247	H	73.4	Confident	69.4	Low	1 Å²	1	75.7 Å²	75.7	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-37.4	175.1	168.1	82.4	0	0	0	112.7	C231 C234 Q236 F238 A243 L244 T245 Q249 C250 H251	C231-H247 WeakPolarHBondContact CB-NE2 3.35Å; C231-H247 PolarHBondContact SG-NE2 3.11Å; C231-H247 VanDerWaalsContact SG-NE2 3.37Å; C234-H247 PolarHBondContact SG-CE1 3.32Å; C234-H247 PolarHBondContact SG-NE2 2.91Å; Q236-H247 PolarHBondContact OE1-CE1 2.61Å; Q236-H247 VanDerWaalsContact OE1-CE1 3.28Å; F238-H247 HydrophobicContact CE1-CB 3.8Å; F238-H247 HydrophobicContact CE2-CB 3.86Å; F238-H247 AromaticContact CE2-CD2 3.46Å; F238-H247 VanDerWaalsContact CE2-CD2 3.46Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.35Å; F238-H247 AromaticContact CE2-CG 3.56Å; F238-H247 AromaticContact CE2-NE2 3.98Å; F238-H247 HydrophobicContact CZ-CB 3.34Å; F238-H247 AromaticContact CZ-CD2 3.56Å; F238-H247 AromaticContact CZ-CE1 3.93Å; F238-H247 AromaticContact CZ-CG 3.14Å; F238-H247 AromaticContact CZ-ND1 3.43Å; F238-H247 WeakPolarHBondContact CZ-ND1 3.49Å; A243-H247 WeakPolarHBondContact O-CB 3.06Å; A243-H247 PolarHBondContact O-N 3.42Å; L244-H247 PolarHBondContact O-N 3.26Å; T245-H247 VanDerWaalsContact C-N 3.32Å; T245-H247 PolarHBondContact O-N 3.44Å; H247-Q249 PolarHBondContact O-N 3.02Å; H247-C250 VanDerWaalsContact O-CB 3.25Å; H247-C250 WeakPolarHBondContact O-CB 3.49Å; H247-C250 PolarHBondContact O-N 3.46Å; H247-H251 AromaticContact CD2-NE2 3.62Å; H247-H251 AromaticContact CE1-NE2 3.58Å; H247-H251 AromaticContact NE2-CD2 3.83Å; H247-H251 AromaticContact NE2-CE1 3.76Å; H247-H251 AromaticContact NE2-NE2 2.92Å; H247-H251 PolarHBondContact NE2-NE2 3.24Å
248	K	72	Confident	69.7	Low	112 Å²	112	76.9 Å²	76.9	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-59.9	-30.2	175.3	-76.2	178.4	177.7	-175.2	0	112.9	L244 T245 V246 C250 H251 L252	L244-K248 HydrophobicContact CD1-CG 4.38Å; L244-K248 WeakPolarHBondContact O-CG 3.32Å; L244-K248 PolarHBondContact O-N 2.87Å; T245-K248 WeakPolarHBondContact O-CB 3.21Å; T245-K248 PolarHBondContact O-N 3.42Å; V246-K248 VanDerWaalsContact C-N 3.34Å; V246-K248 PolarHBondContact O-N 2.95Å; K248-C250 PolarHBondContact O-N 3.3Å; K248-H251 WeakPolarHBondContact O-CB 3.48Å; K248-H251 PolarHBondContact O-N 3.28Å; K248-H251 VanDerWaalsContact O-N 3.07Å; K248-L252 PolarHBondContact O-N 2.95Å
249	Q	71.9	Confident	70.2	Confident	113 Å²	113	76.2 Å²	76.2	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-25.5	173.5	-64.4	179.2	-22.1	0	0	112.7	T245 V246 H247 H251 L252 Q253	T245-Q249 PolarHBondContact O-N 3.24Å; V246-Q249 WeakPolarHBondContact O-CB 3.47Å; V246-Q249 PolarHBondContact O-N 3.29Å; H247-Q249 PolarHBondContact O-N 3.02Å; Q249-H251 VanDerWaalsContact C-N 3.32Å; Q249-L252 PolarHBondContact O-N 3.37Å; Q249-Q253 PolarHBondContact O-N 3.05Å
250	C	68.4	Low	70.9	Confident	13 Å²	13	75.2 Å²	75.2	9%	0.088	37%	0.371	C	S	.	.	H	α-helix	trans	-71.6	-27.6	174.5	-66.2	0	0	0	0	112.6	H247 K248 Q253 K255 C265	H247-C250 VanDerWaalsContact O-CB 3.25Å; H247-C250 WeakPolarHBondContact O-CB 3.49Å; H247-C250 PolarHBondContact O-N 3.46Å; K248-C250 PolarHBondContact O-N 3.3Å; C250-Q253 PolarHBondContact O-N 3.38Å; C250-K255 VanDerWaalsContact CB-O 3.3Å; C250-K255 WeakPolarHBondContact CB-O 3.26Å; C250-K255 CarbonylContact O-C 3.25Å; C250-K255 VanDerWaalsContact O-C 3.25Å; C250-K255 WeakPolarHBondContact O-CA 3.37Å; C250-K255 PolarHBondContact O-N 3.48Å; C250-C265 HydrophobicContact CB-CB 3.62Å; C250-C265 WeakPolarHBondContact CB-SG 3.46Å; C250-C265 WeakPolarHBondContact SG-CB 3.41Å; C250-C265 CovalentContact SG-SG 2.03Å; C250-C265 PolarHBondContact SG-SG 3.16Å
251	H	67.1	Low	71.5	Confident	30 Å²	30	76.1 Å²	76.1	14%	0.139	38%	0.379	C	S	.	.	H	α-helix	trans	-72	-38.8	171.8	-64.1	-51.5	0	0	0	112.4	C231 H247 K248 Q249 Q253 N254 P256	C231-H251 VanDerWaalsContact SG-CD2 3.58Å; C231-H251 PolarHBondContact SG-NE2 2.9Å; H247-H251 AromaticContact CD2-NE2 3.62Å; H247-H251 AromaticContact CE1-NE2 3.58Å; H247-H251 AromaticContact NE2-CD2 3.83Å; H247-H251 AromaticContact NE2-CE1 3.76Å; H247-H251 AromaticContact NE2-NE2 2.92Å; H247-H251 PolarHBondContact NE2-NE2 3.24Å; K248-H251 WeakPolarHBondContact O-CB 3.48Å; K248-H251 PolarHBondContact O-N 3.28Å; K248-H251 VanDerWaalsContact O-N 3.07Å; Q249-H251 VanDerWaalsContact C-N 3.32Å; H251-Q253 PolarHBondContact O-N 3.06Å; H251-N254 PolarHBondContact O-N 2.77Å; H251-P256 VanDerWaalsContact CE1-CB 3.44Å; H251-P256 WeakPolarHBondContact CE1-CB 3.37Å; H251-P256 WeakPolarHBondContact ND1-CB 3.4Å
252	L	67.7	Low	71.9	Confident	150 Å²	150	69.8 Å²	69.8	79%	0.785	36%	0.362	S	S	*	.	H	α-helix	trans	-59.4	-28.7	174.6	-66.6	174	0	0	0	112.5	K248 Q249 N254	K248-L252 PolarHBondContact O-N 2.95Å; Q249-L252 PolarHBondContact O-N 3.37Å; L252-N254 VanDerWaalsContact C-N 3.34Å
253	Q	64.6	Low	72.2	Confident	126 Å²	126	67.7 Å²	67.7	59%	0.589	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	10.9	175	-62.9	-172.9	6.1	0	0	114	Q249 C250 H251 K255	Q249-Q253 PolarHBondContact O-N 3.05Å; C250-Q253 PolarHBondContact O-N 3.38Å; H251-Q253 PolarHBondContact O-N 3.06Å; Q253-K255 HydrophobicContact CB-CD 4.4Å; Q253-K255 WeakPolarHBondContact O-CG 3.48Å; Q253-K255 PolarHBondContact O-N 3.3Å
254	N	68.7	Low	72.6	Confident	122 Å²	122	71.9 Å²	71.9	65%	0.652	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.6	-172.8	-74.9	-41.3	0	0	0	113.6	H251 L252 P256 R267	H251-N254 PolarHBondContact O-N 2.77Å; L252-N254 VanDerWaalsContact C-N 3.34Å; N254-P256 WeakPolarHBondContact O-CD 3.32Å; N254-R267 WeakPolarHBondContact O-CG 3.49Å
255	K	75.4	Confident	72.9	Confident	84 Å²	84	72.2 Å²	72.2	37%	0.365	37%	0.366	S	S	.	.			trans	-125.5	68.3	-177.3	-73.2	173	-178.8	179.1	0	111.2	C250 Q253 Y257 C265 F266 R267	C250-K255 VanDerWaalsContact CB-O 3.3Å; C250-K255 WeakPolarHBondContact CB-O 3.26Å; C250-K255 CarbonylContact O-C 3.25Å; C250-K255 VanDerWaalsContact O-C 3.25Å; C250-K255 WeakPolarHBondContact O-CA 3.37Å; C250-K255 PolarHBondContact O-N 3.48Å; Q253-K255 HydrophobicContact CB-CD 4.4Å; Q253-K255 WeakPolarHBondContact O-CG 3.48Å; Q253-K255 PolarHBondContact O-N 3.3Å; K255-Y257 PolarHBondContact O-N 2.79Å; K255-C265 HydrophobicContact CB-CB 3.9Å; K255-C265 WeakPolarHBondContact CD-O 3.43Å; K255-F266 CarbonylContact C-O 3.5Å; K255-F266 WeakPolarHBondContact CA-O 3.38Å; K255-R267 HydrophobicContact CG-CB 4.35Å
256	P	71.8	Confident	73.1	Confident	30 Å²	30	70.4 Å²	70.4	20%	0.195	35%	0.351	C	S	.	.			trans	-64.3	-17.4	-169.1	22.9	-31.8	0	0	0	114.6	H251 N254	H251-P256 VanDerWaalsContact CE1-CB 3.44Å; H251-P256 WeakPolarHBondContact CE1-CB 3.37Å; H251-P256 WeakPolarHBondContact ND1-CB 3.4Å; N254-P256 WeakPolarHBondContact O-CD 3.32Å
257	Y	74	Confident	73.5	Confident	82 Å²	82	75.9 Å²	75.9	32%	0.322	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.3	-171.1	-57.2	-76.7	0	0	0	111.9	K255 C265 F266 R267 Q268 L269	K255-Y257 PolarHBondContact O-N 2.79Å; Y257-C265 CarbonylContact O-C 3.2Å; Y257-C265 VanDerWaalsContact O-CA 3.32Å; Y257-C265 WeakPolarHBondContact O-CA 3.43Å; Y257-F266 WeakPolarHBondContact CD2-O 3.47Å; Y257-F266 PolarHBondContact N-O 2.8Å; Y257-F266 PolarHBondContact O-N 3.34Å; Y257-R267 WeakPolarHBondContact CE2-O 3.34Å; Y257-Q268 VanDerWaalsContact CD2-CA 3.42Å; Y257-Q268 VanDerWaalsContact CE2-C 3.48Å; Y257-Q268 VanDerWaalsContact CE2-CA 3.45Å; Y257-L269 HydrophobicContact CD1-CB 3.83Å; Y257-L269 HydrophobicContact CD1-CD1 3.7Å; Y257-L269 HydrophobicContact CD1-CG 4.33Å; Y257-L269 HydrophobicContact CE1-CB 3.56Å; Y257-L269 HydrophobicContact CE1-CD1 4.01Å; Y257-L269 HydrophobicContact CE1-CG 4.23Å; Y257-L269 HydrophobicContact CE2-CB 4.29Å; Y257-L269 HydrophobicContact CG-CB 4.28Å; Y257-L269 HydrophobicContact CG-CD1 4.49Å
258	R	75.6	Confident	73.6	Confident	63 Å²	63	80.1 Å²	80.1	24%	0.238	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.7	-179.5	-173.7	172.7	-174	-86.9	4.2	112.4	K264 C265 L272	R258-K264 CarbonylContact C-O 3.44Å; R258-C265 VanDerWaalsContact CB-SG 3.58Å; R258-C265 VanDerWaalsContact CG-SG 3.6Å; R258-L272 WeakPolarHBondContact O-CD2 3.13Å
259	C	79.5	Confident	73.8	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	39%	0.385	C	S	.	.			trans	-78.5	127.7	166.5	179.7	0	0	0	0	110.2	G263 K264 F266 L272 H279	C259-G263 WeakPolarHBondContact O-CA 3.44Å; C259-G263 PolarHBondContact O-N 3.43Å; C259-K264 WeakPolarHBondContact CB-O 3.01Å; C259-K264 PolarHBondContact N-O 3.01Å; C259-F266 HydrophobicContact CB-CE2 4.21Å; C259-L272 HydrophobicContact CB-CD1 3.55Å; C259-H279 PolarHBondContact SG-NE2 3.19Å
260	H	75.7	Confident	74.1	Confident	112 Å²	112	77 Å²	77	52%	0.519	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-34.3	177.8	-72.4	-71.7	0	0	0	112.6	Q236	Q236-H260 PolarHBondContact NE2-CE1 3.05Å; Q236-H260 PolarHBondContact NE2-NE2 2.89Å
261	D	75.5	Confident	74.7	Confident	108 Å²	108	81.9 Å²	81.9	58%	0.578	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-33.1	-174.2	-47.7	-46.4	0	0	0	112.9	H279	D261-H279 IonicContact OD2-CD2 2.7Å; D261-H279 PolarHBondContact OD2-CD2 2.83Å; D261-H279 IonicContact OD2-CG 3.68Å
262	C	77.4	Confident	75.4	Confident	52 Å²	52	81.1 Å²	81.1	35%	0.351	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	0.1	-176.2	74.8	0	0	0	0	114.8	K264 H275	C262-K264 PolarHBondContact O-N 2.93Å; C262-K264 VanDerWaalsContact O-N 3.13Å; C262-H275 PolarHBondContact SG-NE2 2.9Å
263	G	74.3	Confident	76.1	Confident	25 Å²	25	77.5 Å²	77.5	26%	0.258	38%	0.384	S	S	.	.			trans	72.4	-2.3	178.9	0	0	0	0	0	116.2	C259	C259-G263 WeakPolarHBondContact O-CA 3.44Å; C259-G263 PolarHBondContact O-N 3.43Å
264	K	75	Confident	76.9	Confident	127 Å²	127	74.1 Å²	74.1	55%	0.552	37%	0.368	S	S	*	.			trans	-66.6	139.5	-179.6	-71.1	-177.6	179.6	-178.5	0	111.9	R258 C259 C262 F266	R258-K264 CarbonylContact C-O 3.44Å; C259-K264 WeakPolarHBondContact CB-O 3.01Å; C259-K264 PolarHBondContact N-O 3.01Å; C262-K264 PolarHBondContact O-N 2.93Å; C262-K264 VanDerWaalsContact O-N 3.13Å; K264-F266 HydrophobicContact CB-CE2 3.85Å; K264-F266 HydrophobicContact CB-CZ 3.96Å; K264-F266 WeakPolarHBondContact O-CE2 3.19Å
265	C	80.7	Confident	77.6	Confident	22 Å²	22	69.3 Å²	69.3	15%	0.149	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.5	179.7	-71.3	0	0	0	0	112.1	C250 K255 Y257 R258	C250-C265 HydrophobicContact CB-CB 3.62Å; C250-C265 WeakPolarHBondContact CB-SG 3.46Å; C250-C265 WeakPolarHBondContact SG-CB 3.41Å; C250-C265 CovalentContact SG-SG 2.03Å; C250-C265 PolarHBondContact SG-SG 3.16Å; K255-C265 HydrophobicContact CB-CB 3.9Å; K255-C265 WeakPolarHBondContact CD-O 3.43Å; Y257-C265 CarbonylContact O-C 3.2Å; Y257-C265 VanDerWaalsContact O-CA 3.32Å; Y257-C265 WeakPolarHBondContact O-CA 3.43Å; R258-C265 VanDerWaalsContact CB-SG 3.58Å; R258-C265 VanDerWaalsContact CG-SG 3.6Å
266	F	77.8	Confident	77.9	Confident	39 Å²	39	69.5 Å²	69.5	17%	0.171	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.8	-173.2	-60.4	-88.8	0	0	0	111	K255 Y257 C259 K264 Q268 L272 H275	K255-F266 CarbonylContact C-O 3.5Å; K255-F266 WeakPolarHBondContact CA-O 3.38Å; Y257-F266 WeakPolarHBondContact CD2-O 3.47Å; Y257-F266 PolarHBondContact N-O 2.8Å; Y257-F266 PolarHBondContact O-N 3.34Å; C259-F266 HydrophobicContact CB-CE2 4.21Å; K264-F266 HydrophobicContact CB-CE2 3.85Å; K264-F266 HydrophobicContact CB-CZ 3.96Å; K264-F266 WeakPolarHBondContact O-CE2 3.19Å; F266-Q268 VanDerWaalsContact C-N 3.34Å; F266-L272 HydrophobicContact CB-CB 4.35Å; F266-L272 HydrophobicContact CD2-CB 3.95Å; F266-L272 HydrophobicContact CD2-CD1 3.82Å; F266-L272 HydrophobicContact CD2-CG 4.48Å; F266-L272 HydrophobicContact CE2-CD1 3.97Å; F266-L272 HydrophobicContact CG-CB 4.3Å; F266-H275 HydrophobicContact CE1-CB 3.85Å; F266-H275 HydrophobicContact CE2-CB 3.9Å; F266-H275 AromaticContact CE2-CD2 3.64Å; F266-H275 AromaticContact CE2-CG 3.71Å; F266-H275 HydrophobicContact CZ-CB 3.41Å; F266-H275 VanDerWaalsContact CZ-CB 3.41Å; F266-H275 AromaticContact CZ-CD2 3.54Å; F266-H275 AromaticContact CZ-CG 3.18Å; F266-H275 AromaticContact CZ-ND1 3.59Å
267	R	76.2	Confident	78.5	Confident	182 Å²	182	70.7 Å²	70.7	69%	0.687	34%	0.343	S	S	*	.	S	Bend	trans	-72.4	-25.9	179.3	-176.1	170.2	179.9	-172.6	0.8	113.4	N254 K255 Y257	N254-R267 WeakPolarHBondContact O-CG 3.49Å; K255-R267 HydrophobicContact CG-CB 4.35Å; Y257-R267 WeakPolarHBondContact CE2-O 3.34Å
268	Q	76.4	Confident	78.8	Confident	91 Å²	91	72 Å²	72	43%	0.425	35%	0.354	S	S	.	.	S	Bend	trans	-135.3	146.8	-177.2	-62.7	177.2	-8.8	0	0	110.7	Y257 F266 A270 Y271 L272	Y257-Q268 VanDerWaalsContact CD2-CA 3.42Å; Y257-Q268 VanDerWaalsContact CE2-C 3.48Å; Y257-Q268 VanDerWaalsContact CE2-CA 3.45Å; F266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-A270 VanDerWaalsContact C-N 3.26Å; Q268-A270 PolarHBondContact O-N 3.34Å; Q268-Y271 HydrophobicContact CB-CD2 3.68Å; Q268-Y271 HydrophobicContact CB-CE2 3.98Å; Q268-Y271 HydrophobicContact CB-CG 4.39Å; Q268-Y271 HydrophobicContact CG-CD2 4.15Å; Q268-Y271 HydrophobicContact CG-CE2 3.98Å; Q268-Y271 PolarHBondContact O-N 2.78Å; Q268-L272 PolarHBondContact O-N 3.27Å
269	L	76.2	Confident	79	Confident	93 Å²	93	72.5 Å²	72.5	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-60.3	-38.9	178.2	-175.5	58.5	0	0	0	111.3	Y257 Y271 L272 V273	Y257-L269 HydrophobicContact CD1-CB 3.83Å; Y257-L269 HydrophobicContact CD1-CD1 3.7Å; Y257-L269 HydrophobicContact CD1-CG 4.33Å; Y257-L269 HydrophobicContact CE1-CB 3.56Å; Y257-L269 HydrophobicContact CE1-CD1 4.01Å; Y257-L269 HydrophobicContact CE1-CG 4.23Å; Y257-L269 HydrophobicContact CE2-CB 4.29Å; Y257-L269 HydrophobicContact CG-CB 4.28Å; Y257-L269 HydrophobicContact CG-CD1 4.49Å; L269-Y271 VanDerWaalsContact C-N 3.28Å; L269-Y271 PolarHBondContact O-N 2.76Å; L269-L272 HydrophobicContact CD1-CD2 4.3Å; L269-L272 WeakPolarHBondContact O-CB 3.32Å; L269-L272 PolarHBondContact O-N 3.2Å; L269-V273 HydrophobicContact CD1-CG2 4.43Å; L269-V273 HydrophobicContact CG-CG2 4.34Å; L269-V273 WeakPolarHBondContact O-CG2 3.5Å; L269-V273 PolarHBondContact O-N 2.03Å
270	A	77.9	Confident	79.1	Confident	65 Å²	65	76.2 Å²	76.2	54%	0.537	38%	0.382	S	S	.	.	H	α-helix	trans	-55	-42.5	177.4	0	0	0	0	0	112.2	Q268 V273 E274	Q268-A270 VanDerWaalsContact C-N 3.26Å; Q268-A270 PolarHBondContact O-N 3.34Å; A270-V273 PolarHBondContact O-N 2.64Å; A270-E274 WeakPolarHBondContact O-CB 3.06Å; A270-E274 PolarHBondContact O-N 2.91Å
271	Y	81.1	Confident	79.2	Confident	117 Å²	117	79 Å²	79	46%	0.459	39%	0.393	S	S	.	.	H	α-helix	trans	-70.2	-33	177.2	-60.8	-41.2	0	0	0	113	Q268 L269 H275	Q268-Y271 HydrophobicContact CB-CD2 3.68Å; Q268-Y271 HydrophobicContact CB-CE2 3.98Å; Q268-Y271 HydrophobicContact CB-CG 4.39Å; Q268-Y271 HydrophobicContact CG-CD2 4.15Å; Q268-Y271 HydrophobicContact CG-CE2 3.98Å; Q268-Y271 PolarHBondContact O-N 2.78Å; L269-Y271 VanDerWaalsContact C-N 3.28Å; L269-Y271 PolarHBondContact O-N 2.76Å; Y271-H275 WeakPolarHBondContact O-CB 3.39Å; Y271-H275 PolarHBondContact O-N 3.5Å
272	L	82.1	Confident	79.4	Confident	13 Å²	13	79.2 Å²	79.2	7%	0.068	39%	0.39	C	S	.	.	H	α-helix	trans	-66.6	-45.1	172.7	172	61	0	0	0	111	R258 C259 F266 Q268 L269 E274 H275 K276	R258-L272 WeakPolarHBondContact O-CD2 3.13Å; C259-L272 HydrophobicContact CB-CD1 3.55Å; F266-L272 HydrophobicContact CB-CB 4.35Å; F266-L272 HydrophobicContact CD2-CB 3.95Å; F266-L272 HydrophobicContact CD2-CD1 3.82Å; F266-L272 HydrophobicContact CD2-CG 4.48Å; F266-L272 HydrophobicContact CE2-CD1 3.97Å; F266-L272 HydrophobicContact CG-CB 4.3Å; Q268-L272 PolarHBondContact O-N 3.27Å; L269-L272 HydrophobicContact CD1-CD2 4.3Å; L269-L272 WeakPolarHBondContact O-CB 3.32Å; L269-L272 PolarHBondContact O-N 3.2Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.02Å; L272-H275 WeakPolarHBondContact O-CB 3.44Å; L272-H275 PolarHBondContact O-N 2.92Å; L272-K276 HydrophobicContact CD1-CG 4.43Å; L272-K276 WeakPolarHBondContact O-CG 3.29Å; L272-K276 PolarHBondContact O-N 3.35Å
273	V	81.4	Confident	79.7	Confident	75 Å²	75	82.4 Å²	82.4	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-44	177.5	172.9	0	0	0	0	110.6	L269 A270 K276	L269-V273 HydrophobicContact CD1-CG2 4.43Å; L269-V273 HydrophobicContact CG-CG2 4.34Å; L269-V273 WeakPolarHBondContact O-CG2 3.5Å; L269-V273 PolarHBondContact O-N 2.03Å; A270-V273 PolarHBondContact O-N 2.64Å; V273-K276 PolarHBondContact O-N 2.7Å
274	E	81.6	Confident	80.2	Confident	55 Å²	55	84.8 Å²	84.8	26%	0.257	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-42.4	174.4	-175.5	177.5	-154.5	0	0	112	A270 L272 K276 R277 Q296	A270-E274 WeakPolarHBondContact O-CB 3.06Å; A270-E274 PolarHBondContact O-N 2.91Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.02Å; E274-K276 VanDerWaalsContact C-N 3.33Å; E274-K276 PolarHBondContact O-N 3.43Å; E274-R277 VanDerWaalsContact O-CB 3.31Å; E274-R277 WeakPolarHBondContact O-CB 3.15Å; E274-R277 PolarHBondContact O-N 3.18Å; E274-Q296 HydrophobicContact CG-CG 4.16Å; E274-Q296 WeakPolarHBondContact OE1-CG 3.49Å; E274-Q296 PolarHBondContact OE1-NE2 3.09Å
275	H	83.9	Confident	80.6	Confident	20 Å²	20	82.2 Å²	82.2	9%	0.093	40%	0.396	C	S	.	.	H	α-helix	trans	-62.3	-38.8	177.2	174.9	70.6	0	0	0	112.7	C262 F266 Y271 L272 R277 I278 H279	C262-H275 PolarHBondContact SG-NE2 2.9Å; F266-H275 HydrophobicContact CE1-CB 3.85Å; F266-H275 HydrophobicContact CE2-CB 3.9Å; F266-H275 AromaticContact CE2-CD2 3.64Å; F266-H275 AromaticContact CE2-CG 3.71Å; F266-H275 HydrophobicContact CZ-CB 3.41Å; F266-H275 VanDerWaalsContact CZ-CB 3.41Å; F266-H275 AromaticContact CZ-CD2 3.54Å; F266-H275 AromaticContact CZ-CG 3.18Å; F266-H275 AromaticContact CZ-ND1 3.59Å; Y271-H275 WeakPolarHBondContact O-CB 3.39Å; Y271-H275 PolarHBondContact O-N 3.5Å; L272-H275 WeakPolarHBondContact O-CB 3.44Å; L272-H275 PolarHBondContact O-N 2.92Å; H275-R277 PolarHBondContact O-N 3.35Å; H275-R277 VanDerWaalsContact O-N 3.11Å; H275-I278 WeakPolarHBondContact ND1-CD1 3.42Å; H275-I278 VanDerWaalsContact O-CB 3.29Å; H275-I278 WeakPolarHBondContact O-CB 3.4Å; H275-I278 WeakPolarHBondContact O-CG1 3.26Å; H275-I278 PolarHBondContact O-N 3.41Å; H275-H279 AromaticContact CD2-NE2 3.9Å; H275-H279 AromaticContact CE1-NE2 3.99Å; H275-H279 AromaticContact NE2-NE2 3.21Å; H275-H279 PolarHBondContact NE2-NE2 2.78Å
276	K	81.9	Confident	80.9	Confident	89 Å²	89	87.5 Å²	87.5	39%	0.387	42%	0.417	S	S	.	.	H	α-helix	trans	-56.9	-26.8	177.8	-78.3	-176.7	174.2	-171.5	0	113	L272 V273 E274 I278 H279 T280	L272-K276 HydrophobicContact CD1-CG 4.43Å; L272-K276 WeakPolarHBondContact O-CG 3.29Å; L272-K276 PolarHBondContact O-N 3.35Å; V273-K276 PolarHBondContact O-N 2.7Å; E274-K276 VanDerWaalsContact C-N 3.33Å; E274-K276 PolarHBondContact O-N 3.43Å; K276-I278 PolarHBondContact O-N 2.77Å; K276-I278 VanDerWaalsContact O-N 3.14Å; K276-H279 PolarHBondContact O-N 2.94Å; K276-T280 PolarHBondContact O-N 3.29Å; K276-T280 VanDerWaalsContact O-N 3.1Å; K276-T280 PolarHBondContact O-OG1 3.21Å
277	R	83.8	Confident	81.3	Confident	54 Å²	54	85.8 Å²	85.8	20%	0.204	41%	0.409	C	S	.	.	H	α-helix	trans	-62.2	-20	175.2	-58.9	178.6	-179.3	173.5	-0.5	113.6	E274 H275 H279 T280 K281 E282 Y285 S295	E274-R277 VanDerWaalsContact O-CB 3.31Å; E274-R277 WeakPolarHBondContact O-CB 3.15Å; E274-R277 PolarHBondContact O-N 3.18Å; H275-R277 PolarHBondContact O-N 3.35Å; H275-R277 VanDerWaalsContact O-N 3.11Å; R277-H279 VanDerWaalsContact C-N 3.35Å; R277-T280 WeakPolarHBondContact CA-OG1 3.12Å; R277-K281 WeakPolarHBondContact O-CA 3.36Å; R277-K281 PolarHBondContact O-N 3.01Å; R277-E282 PolarHBondContact O-N 3.23Å; R277-Y285 VanDerWaalsContact NH1-CE2 3.3Å; R277-Y285 PolarHBondContact NH1-OH 3.39Å; R277-S295 WeakPolarHBondContact CD-O 3.43Å; R277-S295 PolarHBondContact NH1-O 2.95Å
278	I	80.9	Confident	81.6	Confident	111 Å²	111	82.2 Å²	82.2	57%	0.569	41%	0.412	S	S	*	.	H	α-helix	trans	-69.6	-36.7	173.6	-62.2	164.9	0	0	0	110.6	H275 K276	H275-I278 WeakPolarHBondContact ND1-CD1 3.42Å; H275-I278 VanDerWaalsContact O-CB 3.29Å; H275-I278 WeakPolarHBondContact O-CB 3.4Å; H275-I278 WeakPolarHBondContact O-CG1 3.26Å; H275-I278 PolarHBondContact O-N 3.41Å; K276-I278 PolarHBondContact O-N 2.77Å; K276-I278 VanDerWaalsContact O-N 3.14Å
279	H	79.9	Confident	81.8	Confident	72 Å²	72	83.5 Å²	83.5	33%	0.333	42%	0.418	S	S	.	.	H	α-helix	trans	-80.9	-43	-179.1	-57.9	-51.1	0	0	0	111.6	C259 D261 H275 K276 R277 K281	C259-H279 PolarHBondContact SG-NE2 3.19Å; D261-H279 IonicContact OD2-CD2 2.7Å; D261-H279 PolarHBondContact OD2-CD2 2.83Å; D261-H279 IonicContact OD2-CG 3.68Å; H275-H279 AromaticContact CD2-NE2 3.9Å; H275-H279 AromaticContact CE1-NE2 3.99Å; H275-H279 AromaticContact NE2-NE2 3.21Å; H275-H279 PolarHBondContact NE2-NE2 2.78Å; K276-H279 PolarHBondContact O-N 2.94Å; R277-H279 VanDerWaalsContact C-N 3.35Å; H279-K281 PolarHBondContact O-N 3.37Å
280	T	80.9	Confident	82	Confident	78 Å²	78	80.7 Å²	80.7	48%	0.479	41%	0.406	S	S	.	.	H	α-helix	trans	-76.3	-12.6	178.2	62.8	0	0	0	0	113.1	K276 R277 E282	K276-T280 PolarHBondContact O-N 3.29Å; K276-T280 VanDerWaalsContact O-N 3.1Å; K276-T280 PolarHBondContact O-OG1 3.21Å; R277-T280 WeakPolarHBondContact CA-OG1 3.12Å; T280-E282 PolarHBondContact O-N 3.37Å; T280-E282 VanDerWaalsContact O-N 3.11Å; T280-E282 WeakPolarHBondContact OG1-CG 3.49Å; T280-E282 PolarHBondContact OG1-N 2.76Å
281	K	79.3	Confident	82.2	Confident	172 Å²	172	85.9 Å²	85.9	75%	0.748	42%	0.419	S	S	*	.			trans	57.1	16.7	-172.8	-58.1	176.8	-178.6	171.7	0	113.9	R277 H279 K283	R277-K281 WeakPolarHBondContact O-CA 3.36Å; R277-K281 PolarHBondContact O-N 3.01Å; H279-K281 PolarHBondContact O-N 3.37Å; K281-K283 PolarHBondContact O-N 3.45Å
282	E	79.6	Confident	82.1	Confident	112 Å²	112	86.5 Å²	86.5	52%	0.523	42%	0.424	S	S	.	.			trans	-64.4	131.6	176.1	-74.5	174.1	-174.3	0	0	110.9	R277 T280	R277-E282 PolarHBondContact O-N 3.23Å; T280-E282 PolarHBondContact O-N 3.37Å; T280-E282 VanDerWaalsContact O-N 3.11Å; T280-E282 WeakPolarHBondContact OG1-CG 3.49Å; T280-E282 PolarHBondContact OG1-N 2.76Å
283	K	82.5	Confident	82.2	Confident	118 Å²	118	88.4 Å²	88.4	51%	0.513	44%	0.437	S	S	.	.			trans	-129.3	76.7	179.2	-69.3	175.9	173.1	-173.1	0	110.2	K281 Y285 T293 F294	K281-K283 PolarHBondContact O-N 3.45Å; K283-Y285 PolarHBondContact O-N 3.36Å; K283-T293 WeakPolarHBondContact CB-OG1 3.16Å; K283-T293 WeakPolarHBondContact CD-O 3.45Å; K283-T293 WeakPolarHBondContact CD-OG1 3.44Å; K283-F294 CarbonylContact C-O 3.55Å; K283-F294 VanDerWaalsContact CA-O 3.29Å; K283-F294 WeakPolarHBondContact CA-O 3.45Å
284	P	84.6	Confident	82.4	Confident	75 Å²	75	86.5 Å²	86.5	49%	0.487	42%	0.422	S	S	.	.			trans	-66.4	-22.4	-170.3	-20	33	0	0	0	113.7
285	Y	84.7	Confident	82.4	Confident	73 Å²	73	85.8 Å²	85.8	29%	0.286	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	103.2	-172.2	-54.2	-75.6	0	0	0	110.3	R277 K283 T293 F294 S295 N297	R277-Y285 VanDerWaalsContact NH1-CE2 3.3Å; R277-Y285 PolarHBondContact NH1-OH 3.39Å; K283-Y285 PolarHBondContact O-N 3.36Å; Y285-T293 CarbonylContact O-C 3.35Å; Y285-T293 WeakPolarHBondContact O-CA 3.3Å; Y285-F294 WeakPolarHBondContact CD2-O 3.17Å; Y285-F294 PolarHBondContact N-O 3.2Å; Y285-F294 VanDerWaalsContact N-O 3.08Å; Y285-F294 PolarHBondContact O-N 3.21Å; Y285-S295 WeakPolarHBondContact CE2-O 3.5Å; Y285-N297 HydrophobicContact CD1-CB 3.91Å; Y285-N297 HydrophobicContact CD2-CB 4.43Å; Y285-N297 VanDerWaalsContact CD2-N 3.29Å; Y285-N297 HydrophobicContact CE1-CB 3.66Å; Y285-N297 HydrophobicContact CE2-CB 4.17Å; Y285-N297 HydrophobicContact CG-CB 4.29Å
286	K	85.4	Confident	82.3	Confident	134 Å²	134	87.8 Å²	87.8	58%	0.583	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.7	176	-170	177.6	177.8	-177.3	0	110.3	T293	K286-T293 HydrophobicContact CB-CG2 4.08Å; K286-T293 HydrophobicContact CG-CG2 4Å
287	C	86.3	Confident	82.3	Confident	3 Å²	3	87.1 Å²	87.1	2%	0.02	43%	0.433	C	S	.	.			trans	-73.4	136.7	168.8	-176.4	0	0	0	0	110	E289 C290 K292 F294 L300	C287-E289 VanDerWaalsContact C-N 3.34Å; C287-E289 PolarHBondContact SG-N 3.16Å; C287-C290 CarbonylContact C-O 3.56Å; C287-C290 VanDerWaalsContact CB-O 3.32Å; C287-C290 WeakPolarHBondContact CB-O 3.43Å; C287-K292 PolarHBondContact N-O 2.95Å; C287-F294 HydrophobicContact CB-CE2 4.35Å; C287-L300 HydrophobicContact CB-CD1 3.65Å
288	S	83.6	Confident	82.2	Confident	106 Å²	106	88 Å²	88	74%	0.741	45%	0.448	S	S	*	.	S	Bend	trans	-73.8	-28.9	176.1	46.9	0	0	0	0	112.2
289	E	79.7	Confident	82.3	Confident	119 Å²	119	84 Å²	84	56%	0.556	43%	0.429	S	S	*	.	S	Bend	trans	-96	-13.2	-175.3	-62.4	-172.5	-126.7	0	0	113.8	C287 H307	C287-E289 VanDerWaalsContact C-N 3.34Å; C287-E289 PolarHBondContact SG-N 3.16Å; E289-H307 WeakPolarHBondContact CB-ND1 3.46Å; E289-H307 WeakPolarHBondContact OE2-CB 3.38Å; E289-H307 IonicContact OE2-CG 3.86Å; E289-H307 IonicContact OE2-ND1 3.14Å; E289-H307 PolarHBondContact OE2-ND1 3.43Å
290	C	81.6	Confident	82.6	Confident	33 Å²	33	81.3 Å²	81.3	22%	0.223	42%	0.416	C	S	.	.	S	Bend	trans	-147.6	157.8	168.5	70.2	0	0	0	0	111.2	C287 K292 H303 H307	C287-C290 CarbonylContact C-O 3.56Å; C287-C290 VanDerWaalsContact CB-O 3.32Å; C287-C290 WeakPolarHBondContact CB-O 3.43Å; C290-K292 PolarHBondContact O-N 3.17Å; C290-H303 PolarHBondContact SG-NE2 3.09Å; C290-H307 PolarHBondContact SG-NE2 3.06Å; C290-H307 VanDerWaalsContact SG-NE2 3.45Å
291	E	80.5	Confident	82.6	Confident	175 Å²	175	81.9 Å²	81.9	82%	0.818	42%	0.416	S	S	*	.	S	Bend	trans	-70.9	10.3	-178.1	-59.9	-175	156.3	0	0	114.5
292	K	79.5	Confident	82.7	Confident	129 Å²	129	79 Å²	79	56%	0.561	40%	0.4	S	S	*	.			trans	-75.1	134.8	-179.9	-66.7	-178.9	-179.5	173.6	0	111.3	C287 C290 F294	C287-K292 PolarHBondContact N-O 2.95Å; C290-K292 PolarHBondContact O-N 3.17Å; K292-F294 HydrophobicContact CB-CE2 4Å; K292-F294 HydrophobicContact CB-CZ 3.96Å
293	T	85	Confident	82.9	Confident	54 Å²	54	74.6 Å²	74.6	33%	0.331	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.6	176.6	58.3	0	0	0	0	111.4	K283 Y285 K286	K283-T293 WeakPolarHBondContact CB-OG1 3.16Å; K283-T293 WeakPolarHBondContact CD-O 3.45Å; K283-T293 WeakPolarHBondContact CD-OG1 3.44Å; Y285-T293 CarbonylContact O-C 3.35Å; Y285-T293 WeakPolarHBondContact O-CA 3.3Å; K286-T293 HydrophobicContact CB-CG2 4.08Å; K286-T293 HydrophobicContact CG-CG2 4Å
294	F	84.4	Confident	82.8	Confident	34 Å²	34	72.1 Å²	72.1	15%	0.149	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.7	-176.2	-57	-83.2	0	0	0	110.9	K283 Y285 C287 K292 Q296 T299 L300 H303	K283-F294 CarbonylContact C-O 3.55Å; K283-F294 VanDerWaalsContact CA-O 3.29Å; K283-F294 WeakPolarHBondContact CA-O 3.45Å; Y285-F294 WeakPolarHBondContact CD2-O 3.17Å; Y285-F294 PolarHBondContact N-O 3.2Å; Y285-F294 VanDerWaalsContact N-O 3.08Å; Y285-F294 PolarHBondContact O-N 3.21Å; C287-F294 HydrophobicContact CB-CE2 4.35Å; K292-F294 HydrophobicContact CB-CE2 4Å; K292-F294 HydrophobicContact CB-CZ 3.96Å; F294-Q296 VanDerWaalsContact C-N 3.33Å; F294-T299 HydrophobicContact CD1-CG2 3.5Å; F294-T299 VanDerWaalsContact CD1-CG2 3.5Å; F294-T299 HydrophobicContact CE1-CG2 4.05Å; F294-T299 HydrophobicContact CG-CG2 4.22Å; F294-L300 HydrophobicContact CB-CB 4.42Å; F294-L300 HydrophobicContact CD2-CB 3.91Å; F294-L300 HydrophobicContact CD2-CD1 3.8Å; F294-L300 HydrophobicContact CD2-CG 4.46Å; F294-L300 HydrophobicContact CE2-CD1 3.92Å; F294-L300 HydrophobicContact CG-CB 4.37Å; F294-H303 HydrophobicContact CE1-CB 4.15Å; F294-H303 HydrophobicContact CE2-CB 3.95Å; F294-H303 AromaticContact CE2-CD2 3.39Å; F294-H303 WeakPolarHBondContact CE2-CD2 3.35Å; F294-H303 AromaticContact CE2-CG 3.71Å; F294-H303 HydrophobicContact CZ-CB 3.58Å; F294-H303 AromaticContact CZ-CD2 3.35Å; F294-H303 WeakPolarHBondContact CZ-CD2 3.45Å; F294-H303 AromaticContact CZ-CG 3.25Å; F294-H303 AromaticContact CZ-ND1 3.76Å; F294-H303 AromaticContact CZ-NE2 3.85Å
295	S	82.3	Confident	82.6	Confident	40 Å²	40	70.3 Å²	70.3	28%	0.28	36%	0.357	S	S	.	.	S	Bend	trans	-78.6	-18.2	176.5	51.8	0	0	0	0	113.3	R277 Y285	R277-S295 WeakPolarHBondContact CD-O 3.43Å; R277-S295 PolarHBondContact NH1-O 2.95Å; Y285-S295 WeakPolarHBondContact CE2-O 3.5Å
296	Q	82.3	Confident	82.2	Confident	62 Å²	62	72.3 Å²	72.3	29%	0.29	37%	0.372	S	S	.	.	S	Bend	trans	-131.1	137.7	-176.6	-50.4	-177.3	-41	0	0	111.4	E274 F294 S298 T299 L300	E274-Q296 HydrophobicContact CG-CG 4.16Å; E274-Q296 WeakPolarHBondContact OE1-CG 3.49Å; E274-Q296 PolarHBondContact OE1-NE2 3.09Å; F294-Q296 VanDerWaalsContact C-N 3.33Å; Q296-S298 PolarHBondContact O-N 2.98Å; Q296-T299 PolarHBondContact O-N 3.49Å; Q296-T299 PolarHBondContact OE1-OG1 2.74Å; Q296-L300 PolarHBondContact O-N 3.21Å
297	N	82.2	Confident	81.8	Confident	75 Å²	75	68.9 Å²	68.9	40%	0.401	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-40.7	178	-170.2	33.5	0	0	0	111.9	Y285 T299 L300 I301	Y285-N297 HydrophobicContact CD1-CB 3.91Å; Y285-N297 HydrophobicContact CD2-CB 4.43Å; Y285-N297 VanDerWaalsContact CD2-N 3.29Å; Y285-N297 HydrophobicContact CE1-CB 3.66Å; Y285-N297 HydrophobicContact CE2-CB 4.17Å; Y285-N297 HydrophobicContact CG-CB 4.29Å; N297-T299 PolarHBondContact O-N 2.81Å; N297-L300 WeakPolarHBondContact O-CA 3.37Å; N297-L300 WeakPolarHBondContact O-CB 3.49Å; N297-L300 PolarHBondContact O-N 2.79Å; N297-I301 WeakPolarHBondContact O-CG1 3.44Å; N297-I301 PolarHBondContact O-N 3.42Å
298	S	81.3	Confident	81.3	Confident	73 Å²	73	71.8 Å²	71.8	51%	0.51	38%	0.378	S	S	.	.	H	α-helix	trans	-57	-34.9	176.5	59	0	0	0	0	112.6	Q296 R302	Q296-S298 PolarHBondContact O-N 2.98Å; S298-R302 VanDerWaalsContact O-CB 3.23Å; S298-R302 WeakPolarHBondContact O-CB 3.37Å; S298-R302 PolarHBondContact O-N 2.81Å
299	T	83.3	Confident	80.6	Confident	28 Å²	28	69 Å²	69	17%	0.172	37%	0.366	C	S	.	.	H	α-helix	trans	-75.1	-35.7	176.4	-65.6	0	0	0	0	111.8	F294 Q296 N297 R302 H303	F294-T299 HydrophobicContact CD1-CG2 3.5Å; F294-T299 VanDerWaalsContact CD1-CG2 3.5Å; F294-T299 HydrophobicContact CE1-CG2 4.05Å; F294-T299 HydrophobicContact CG-CG2 4.22Å; Q296-T299 PolarHBondContact O-N 3.49Å; Q296-T299 PolarHBondContact OE1-OG1 2.74Å; N297-T299 PolarHBondContact O-N 2.81Å; T299-R302 PolarHBondContact OG1-NH2 3.13Å; T299-H303 VanDerWaalsContact O-CB 3.26Å; T299-H303 WeakPolarHBondContact O-CB 3.46Å; T299-H303 PolarHBondContact O-N 3.4Å
300	L	84.8	Confident	80.3	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-50.5	171.3	171.2	62.2	0	0	0	111.4	C287 F294 Q296 N297 R302 H303 Q304	C287-L300 HydrophobicContact CB-CD1 3.65Å; F294-L300 HydrophobicContact CB-CB 4.42Å; F294-L300 HydrophobicContact CD2-CB 3.91Å; F294-L300 HydrophobicContact CD2-CD1 3.8Å; F294-L300 HydrophobicContact CD2-CG 4.46Å; F294-L300 HydrophobicContact CE2-CD1 3.92Å; F294-L300 HydrophobicContact CG-CB 4.37Å; Q296-L300 PolarHBondContact O-N 3.21Å; N297-L300 WeakPolarHBondContact O-CA 3.37Å; N297-L300 WeakPolarHBondContact O-CB 3.49Å; N297-L300 PolarHBondContact O-N 2.79Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 3.1Å; L300-H303 CarbonylContact O-C 3.37Å; L300-H303 WeakPolarHBondContact O-CA 3.43Å; L300-H303 VanDerWaalsContact O-CB 3.29Å; L300-H303 WeakPolarHBondContact O-CB 3.43Å; L300-H303 PolarHBondContact O-N 2.78Å; L300-Q304 HydrophobicContact CD1-CG 4.24Å; L300-Q304 WeakPolarHBondContact O-CG 3.43Å; L300-Q304 PolarHBondContact O-N 3.18Å
301	I	82.6	Confident	79.9	Confident	91 Å²	91	72 Å²	72	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-56.4	-45.9	177.9	-66.5	169.5	0	0	0	110.2	N297 H303 Q304 V305	N297-I301 WeakPolarHBondContact O-CG1 3.44Å; N297-I301 PolarHBondContact O-N 3.42Å; I301-H303 PolarHBondContact O-N 3.17Å; I301-Q304 PolarHBondContact O-N 3.38Å; I301-V305 PolarHBondContact O-N 3.37Å
302	R	80.4	Confident	79.8	Confident	112 Å²	112	72.5 Å²	72.5	42%	0.423	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-29.2	175.5	-178.4	175.8	64.1	-177.5	-8.8	113.2	S298 T299 L300 R324	S298-R302 VanDerWaalsContact O-CB 3.23Å; S298-R302 WeakPolarHBondContact O-CB 3.37Å; S298-R302 PolarHBondContact O-N 2.81Å; T299-R302 PolarHBondContact OG1-NH2 3.13Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 3.1Å; R302-R324 VanDerWaalsContact CD-CZ 3.48Å
303	H	84.1	Confident	79.8	Confident	19 Å²	19	69.3 Å²	69.3	9%	0.088	36%	0.356	C	S	.	.	H	α-helix	trans	-74.9	-37.6	176.1	173.6	65.4	0	0	0	111.7	C290 F294 T299 L300 I301 V305 I306 H307	C290-H303 PolarHBondContact SG-NE2 3.09Å; F294-H303 HydrophobicContact CE1-CB 4.15Å; F294-H303 HydrophobicContact CE2-CB 3.95Å; F294-H303 AromaticContact CE2-CD2 3.39Å; F294-H303 WeakPolarHBondContact CE2-CD2 3.35Å; F294-H303 AromaticContact CE2-CG 3.71Å; F294-H303 HydrophobicContact CZ-CB 3.58Å; F294-H303 AromaticContact CZ-CD2 3.35Å; F294-H303 WeakPolarHBondContact CZ-CD2 3.45Å; F294-H303 AromaticContact CZ-CG 3.25Å; F294-H303 AromaticContact CZ-ND1 3.76Å; F294-H303 AromaticContact CZ-NE2 3.85Å; T299-H303 VanDerWaalsContact O-CB 3.26Å; T299-H303 WeakPolarHBondContact O-CB 3.46Å; T299-H303 PolarHBondContact O-N 3.4Å; L300-H303 CarbonylContact O-C 3.37Å; L300-H303 WeakPolarHBondContact O-CA 3.43Å; L300-H303 VanDerWaalsContact O-CB 3.29Å; L300-H303 WeakPolarHBondContact O-CB 3.43Å; L300-H303 PolarHBondContact O-N 2.78Å; I301-H303 PolarHBondContact O-N 3.17Å; H303-V305 PolarHBondContact O-N 3.08Å; H303-I306 WeakPolarHBondContact O-CB 3.45Å; H303-I306 WeakPolarHBondContact O-CG1 3.44Å; H303-I306 PolarHBondContact O-N 3.48Å; H303-H307 AromaticContact CE1-NE2 3.86Å; H303-H307 AromaticContact NE2-CD2 3.85Å; H303-H307 AromaticContact NE2-NE2 3.32Å; H303-H307 PolarHBondContact NE2-NE2 3.37Å
304	Q	80.7	Confident	79.7	Confident	66 Å²	66	73.7 Å²	73.7	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-27.9	176.4	-72.6	170.8	-37.6	0	0	112.9	L300 I301 I306 H307 S308	L300-Q304 HydrophobicContact CD1-CG 4.24Å; L300-Q304 WeakPolarHBondContact O-CG 3.43Å; L300-Q304 PolarHBondContact O-N 3.18Å; I301-Q304 PolarHBondContact O-N 3.38Å; Q304-I306 PolarHBondContact O-N 3.2Å; Q304-I306 VanDerWaalsContact O-N 3.13Å; Q304-H307 WeakPolarHBondContact O-CA 3.18Å; Q304-H307 WeakPolarHBondContact O-CB 3.47Å; Q304-H307 PolarHBondContact O-N 3.04Å; Q304-S308 PolarHBondContact O-N 2.92Å
305	V	79.3	Confident	79.7	Confident	36 Å²	36	72.1 Å²	72.1	22%	0.218	36%	0.364	C	S	.	.	H	α-helix	trans	-58.6	-25.6	172.1	-177.6	0	0	0	0	112.8	I301 H303 H307 S308 G309 E310	I301-V305 PolarHBondContact O-N 3.37Å; H303-V305 PolarHBondContact O-N 3.08Å; V305-H307 VanDerWaalsContact C-N 3.32Å; V305-S308 PolarHBondContact O-OG 3.04Å; V305-G309 PolarHBondContact O-N 3.28Å; V305-G309 VanDerWaalsContact O-N 3.14Å; V305-E310 VanDerWaalsContact CG1-O 3.23Å; V305-E310 WeakPolarHBondContact CG1-O 3.46Å
306	I	78.1	Confident	79.8	Confident	115 Å²	115	78.1 Å²	78.1	59%	0.59	39%	0.392	S	S	*	.	H	α-helix	trans	-70.3	-35.4	175.6	-56.7	177.4	0	0	0	110.6	H303 Q304	H303-I306 WeakPolarHBondContact O-CB 3.45Å; H303-I306 WeakPolarHBondContact O-CG1 3.44Å; H303-I306 PolarHBondContact O-N 3.48Å; Q304-I306 PolarHBondContact O-N 3.2Å; Q304-I306 VanDerWaalsContact O-N 3.13Å
307	H	76.8	Confident	79.8	Confident	62 Å²	62	81 Å²	81	29%	0.287	41%	0.405	S	S	.	.	H	α-helix	trans	-75.6	-46.7	-179.8	-74.8	-79.1	0	0	0	112	E289 C290 H303 Q304 V305 G309	E289-H307 WeakPolarHBondContact CB-ND1 3.46Å; E289-H307 WeakPolarHBondContact OE2-CB 3.38Å; E289-H307 IonicContact OE2-CG 3.86Å; E289-H307 IonicContact OE2-ND1 3.14Å; E289-H307 PolarHBondContact OE2-ND1 3.43Å; C290-H307 PolarHBondContact SG-NE2 3.06Å; C290-H307 VanDerWaalsContact SG-NE2 3.45Å; H303-H307 AromaticContact CE1-NE2 3.86Å; H303-H307 AromaticContact NE2-CD2 3.85Å; H303-H307 AromaticContact NE2-NE2 3.32Å; H303-H307 PolarHBondContact NE2-NE2 3.37Å; Q304-H307 WeakPolarHBondContact O-CA 3.18Å; Q304-H307 WeakPolarHBondContact O-CB 3.47Å; Q304-H307 PolarHBondContact O-N 3.04Å; V305-H307 VanDerWaalsContact C-N 3.32Å; H307-G309 PolarHBondContact O-N 3.05Å
308	S	74.2	Confident	79.8	Confident	64 Å²	64	80 Å²	80	45%	0.448	40%	0.403	S	S	.	.	H	α-helix	trans	-68.7	-19.6	176.6	68.3	0	0	0	0	113.3	Q304 V305 E310	Q304-S308 PolarHBondContact O-N 2.92Å; V305-S308 PolarHBondContact O-OG 3.04Å; S308-E310 PolarHBondContact O-N 3.45Å; S308-E310 VanDerWaalsContact O-N 3.13Å; S308-E310 PolarHBondContact OG-N 3.23Å
309	G	69.9	Low	79.8	Confident	48 Å²	48	79.1 Å²	79.1	50%	0.495	41%	0.406	S	S	.	.			trans	67.8	6.6	-176	0	0	0	0	0	113.8	V305 H307 K311	V305-G309 PolarHBondContact O-N 3.28Å; V305-G309 VanDerWaalsContact O-N 3.14Å; H307-G309 PolarHBondContact O-N 3.05Å; G309-K311 PolarHBondContact O-N 2.97Å
310	E	72.9	Confident	79.7	Confident	86 Å²	86	83.8 Å²	83.8	40%	0.402	42%	0.424	S	S	.	.			trans	-66.3	104.7	-175.8	-75.2	-174.2	-177.2	0	0	111.5	V305 S308 R312	V305-E310 VanDerWaalsContact CG1-O 3.23Å; V305-E310 WeakPolarHBondContact CG1-O 3.46Å; S308-E310 PolarHBondContact O-N 3.45Å; S308-E310 VanDerWaalsContact O-N 3.13Å; S308-E310 PolarHBondContact OG-N 3.23Å; E310-R312 HydrophobicContact CB-CG 4.34Å; E310-R312 PolarHBondContact O-N 3.25Å; E310-R312 IonicContact OE2-CZ 3.4Å; E310-R312 IonicContact OE2-NE 3.16Å; E310-R312 PolarHBondContact OE2-NE 3.47Å; E310-R312 IonicContact OE2-NH2 3.49Å; E310-R312 PolarHBondContact OE2-NH2 3.26Å
311	K	73.8	Confident	79.6	Confident	130 Å²	130	84.5 Å²	84.5	57%	0.565	43%	0.432	S	S	*	.			trans	-97.1	79.5	173.5	-69.7	167.3	169.7	-175	0	109.7	G309 H313 A321 F322	G309-K311 PolarHBondContact O-N 2.97Å; K311-H313 VanDerWaalsContact C-N 3.26Å; K311-H313 PolarHBondContact O-N 3.24Å; K311-A321 HydrophobicContact CB-CB 3.45Å; K311-A321 VanDerWaalsContact CB-CB 3.45Å; K311-A321 HydrophobicContact CD-CB 4.08Å; K311-A321 WeakPolarHBondContact CD-O 3.3Å; K311-A321 HydrophobicContact CG-CB 4.36Å; K311-F322 CarbonylContact C-O 3.57Å; K311-F322 WeakPolarHBondContact CA-O 3.41Å
312	R	76.9	Confident	79.4	Confident	184 Å²	184	81.8 Å²	81.8	69%	0.694	42%	0.417	S	S	*	.			trans	-67.7	-22.1	-174.8	-59.7	-176.5	-176.3	-176.3	-1	114	E310 F322	E310-R312 HydrophobicContact CB-CG 4.34Å; E310-R312 PolarHBondContact O-N 3.25Å; E310-R312 IonicContact OE2-CZ 3.4Å; E310-R312 IonicContact OE2-NE 3.16Å; E310-R312 PolarHBondContact OE2-NE 3.47Å; E310-R312 IonicContact OE2-NH2 3.49Å; E310-R312 PolarHBondContact OE2-NH2 3.26Å; R312-F322 PolarHBondContact N-O 2.93Å
313	H	79.9	Confident	79.3	Confident	62 Å²	62	78.1 Å²	78.1	29%	0.287	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	99.9	-172.9	-56.2	-72.6	0	0	0	111.1	K311 A321 F322 R324 H325 L328	K311-H313 VanDerWaalsContact C-N 3.26Å; K311-H313 PolarHBondContact O-N 3.24Å; H313-A321 CarbonylContact O-C 3.59Å; H313-A321 WeakPolarHBondContact O-CA 3.39Å; H313-F322 WeakPolarHBondContact CB-O 3.35Å; H313-F322 PolarHBondContact N-O 2.86Å; H313-F322 VanDerWaalsContact N-O 3.07Å; H313-F322 PolarHBondContact O-N 2.85Å; H313-R324 VanDerWaalsContact CD2-C 3.42Å; H313-H325 PolarHBondContact CD2-N 3.01Å; H313-H325 AromaticContact ND1-CD2 3.92Å; H313-H325 PolarHBondContact NE2-N 3.23Å; H313-L328 HydrophobicContact CB-CB 4.12Å; H313-L328 HydrophobicContact CB-CD2 3.8Å
314	K	83.7	Confident	79	Confident	146 Å²	146	82.2 Å²	82.2	64%	0.635	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.8	179.5	-62.5	-177	-177.1	177.8	0	111.3	A321	K314-A321 HydrophobicContact CG-CB 3.89Å
315	C	84.9	Confident	79	Confident	1 Å²	1	83.8 Å²	83.8	1%	0.007	44%	0.435	C	S	.	.			trans	-75.7	122.9	167.2	178	0	0	0	0	109	E317 G319 K320 F322 L328 H335	C315-E317 VanDerWaalsContact C-N 3.3Å; C315-E317 PolarHBondContact O-N 3.46Å; C315-G319 WeakPolarHBondContact O-CA 3.48Å; C315-G319 PolarHBondContact O-N 3.47Å; C315-K320 WeakPolarHBondContact CB-O 3.25Å; C315-K320 PolarHBondContact N-O 3.28Å; C315-F322 HydrophobicContact CB-CE2 4.26Å; C315-L328 HydrophobicContact CB-CD1 3.54Å; C315-H335 PolarHBondContact SG-NE2 2.91Å; C315-H335 VanDerWaalsContact SG-NE2 3.45Å
316	L	83.9	Confident	79	Confident	167 Å²	167	85.8 Å²	85.8	87%	0.874	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.6	180	-61.7	177.6	0	0	0	112.4
317	E	82.4	Confident	79.1	Confident	122 Å²	122	83.4 Å²	83.4	57%	0.57	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-32.7	-176.9	-65	170	146.7	0	0	113.4	C315 H335	C315-E317 VanDerWaalsContact C-N 3.3Å; C315-E317 PolarHBondContact O-N 3.46Å; E317-H335 WeakPolarHBondContact OE2-CB 3.34Å; E317-H335 IonicContact OE2-CD2 3.54Å; E317-H335 PolarHBondContact OE2-CD2 3.19Å; E317-H335 IonicContact OE2-CG 2.61Å
318	C	82.6	Confident	79.4	Confident	53 Å²	53	81 Å²	81	36%	0.358	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	6.2	-176.9	74.9	0	0	0	0	114.9	K320 H331 H335	C318-K320 PolarHBondContact O-N 2.84Å; C318-H331 PolarHBondContact SG-NE2 3.14Å; C318-H335 PolarHBondContact SG-NE2 3.4Å; C318-H335 VanDerWaalsContact SG-NE2 3.38Å
319	G	81.1	Confident	79.7	Confident	55 Å²	55	81.9 Å²	81.9	57%	0.567	43%	0.43	S	S	*	.			trans	69	-5	179.1	0	0	0	0	0	115.7	C315 A321	C315-G319 WeakPolarHBondContact O-CA 3.48Å; C315-G319 PolarHBondContact O-N 3.47Å; G319-A321 PolarHBondContact O-N 3.25Å
320	K	81.1	Confident	79.9	Confident	127 Å²	127	81.8 Å²	81.8	55%	0.552	42%	0.422	S	S	*	.			trans	-65.3	129.2	-178.4	-74	-179.3	-178.5	172.4	0	111.2	C315 C318 F322	C315-K320 WeakPolarHBondContact CB-O 3.25Å; C315-K320 PolarHBondContact N-O 3.28Å; C318-K320 PolarHBondContact O-N 2.84Å; K320-F322 HydrophobicContact CB-CE2 3.82Å; K320-F322 HydrophobicContact CB-CZ 3.91Å; K320-F322 WeakPolarHBondContact O-CD2 3.49Å; K320-F322 VanDerWaalsContact O-CE2 3.29Å; K320-F322 WeakPolarHBondContact O-CE2 3.39Å
321	A	81.7	Confident	80.3	Confident	28 Å²	28	78.7 Å²	78.7	23%	0.231	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.6	-179.9	0	0	0	0	0	111.7	K311 H313 K314 G319	K311-A321 HydrophobicContact CB-CB 3.45Å; K311-A321 VanDerWaalsContact CB-CB 3.45Å; K311-A321 HydrophobicContact CD-CB 4.08Å; K311-A321 WeakPolarHBondContact CD-O 3.3Å; K311-A321 HydrophobicContact CG-CB 4.36Å; H313-A321 CarbonylContact O-C 3.59Å; H313-A321 WeakPolarHBondContact O-CA 3.39Å; K314-A321 HydrophobicContact CG-CB 3.89Å; G319-A321 PolarHBondContact O-N 3.25Å
322	F	79.7	Confident	80.5	Confident	35 Å²	35	75.2 Å²	75.2	15%	0.154	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.9	-177.8	-58.5	-87.7	0	0	0	110.3	K311 R312 H313 C315 K320 R324 T327 L328 H331	K311-F322 CarbonylContact C-O 3.57Å; K311-F322 WeakPolarHBondContact CA-O 3.41Å; R312-F322 PolarHBondContact N-O 2.93Å; H313-F322 WeakPolarHBondContact CB-O 3.35Å; H313-F322 PolarHBondContact N-O 2.86Å; H313-F322 VanDerWaalsContact N-O 3.07Å; H313-F322 PolarHBondContact O-N 2.85Å; C315-F322 HydrophobicContact CB-CE2 4.26Å; K320-F322 HydrophobicContact CB-CE2 3.82Å; K320-F322 HydrophobicContact CB-CZ 3.91Å; K320-F322 WeakPolarHBondContact O-CD2 3.49Å; K320-F322 VanDerWaalsContact O-CE2 3.29Å; K320-F322 WeakPolarHBondContact O-CE2 3.39Å; F322-R324 PolarHBondContact O-N 2.99Å; F322-T327 HydrophobicContact CD1-CG2 3.62Å; F322-T327 HydrophobicContact CE1-CG2 4.18Å; F322-T327 HydrophobicContact CG-CG2 4.4Å; F322-L328 HydrophobicContact CB-CB 4.33Å; F322-L328 HydrophobicContact CD2-CB 3.92Å; F322-L328 HydrophobicContact CD2-CD1 3.75Å; F322-L328 HydrophobicContact CD2-CG 4.44Å; F322-L328 HydrophobicContact CE2-CD1 3.93Å; F322-L328 HydrophobicContact CG-CB 4.31Å; F322-H331 HydrophobicContact CE1-CB 4.04Å; F322-H331 HydrophobicContact CE2-CB 3.94Å; F322-H331 AromaticContact CE2-CD2 3.36Å; F322-H331 WeakPolarHBondContact CE2-CD2 3.45Å; F322-H331 AromaticContact CE2-CG 3.63Å; F322-H331 HydrophobicContact CZ-CB 3.53Å; F322-H331 AromaticContact CZ-CD2 3.38Å; F322-H331 WeakPolarHBondContact CZ-CD2 3.13Å; F322-H331 AromaticContact CZ-CG 3.19Å; F322-H331 AromaticContact CZ-ND1 3.65Å; F322-H331 AromaticContact CZ-NE2 3.88Å
323	G	77.1	Confident	80.3	Confident	35 Å²	35	71.5 Å²	71.5	36%	0.361	38%	0.384	S	S	.	.	S	Bend	trans	-76.8	-5.7	175.1	0	0	0	0	0	113.9
324	R	79	Confident	79.9	Confident	105 Å²	105	73.1 Å²	73.1	40%	0.396	39%	0.394	S	S	.	.	S	Bend	trans	-140	135.2	179.9	-62.2	-178.2	-173.2	178.9	2	111	R302 H313 F322 S326 T327 L328	R302-R324 VanDerWaalsContact CD-CZ 3.48Å; H313-R324 VanDerWaalsContact CD2-C 3.42Å; F322-R324 PolarHBondContact O-N 2.99Å; R324-S326 VanDerWaalsContact C-N 3.35Å; R324-S326 PolarHBondContact O-N 3.05Å; R324-T327 PolarHBondContact O-N 3.42Å; R324-L328 PolarHBondContact O-N 3.01Å
325	H	79.1	Confident	79.5	Confident	98 Å²	98	69.7 Å²	69.7	45%	0.454	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-43.5	176.5	-174.5	-110.2	0	0	0	112.7	H313 T327 L328 L329	H313-H325 PolarHBondContact CD2-N 3.01Å; H313-H325 AromaticContact ND1-CD2 3.92Å; H313-H325 PolarHBondContact NE2-N 3.23Å; H325-T327 PolarHBondContact O-N 2.56Å; H325-L328 WeakPolarHBondContact O-CA 3.13Å; H325-L328 WeakPolarHBondContact O-CB 3.48Å; H325-L328 PolarHBondContact O-N 3.46Å; H325-L329 PolarHBondContact O-N 2.94Å
326	S	79.2	Confident	78.7	Confident	79 Å²	79	73.3 Å²	73.3	55%	0.552	41%	0.405	S	S	*	.	H	α-helix	trans	-59.9	-33	178.7	62.7	0	0	0	0	113	R324 C330	R324-S326 VanDerWaalsContact C-N 3.35Å; R324-S326 PolarHBondContact O-N 3.05Å; S326-C330 WeakPolarHBondContact O-CB 3.46Å; S326-C330 PolarHBondContact O-N 3.25Å; S326-C330 VanDerWaalsContact O-N 3.12Å
327	T	80.1	Confident	78	Confident	65 Å²	65	71.1 Å²	71.1	40%	0.399	39%	0.388	S	S	.	.	H	α-helix	trans	-74.4	-35.6	176.7	-52.3	0	0	0	0	111.2	F322 R324 H325 H331	F322-T327 HydrophobicContact CD1-CG2 3.62Å; F322-T327 HydrophobicContact CE1-CG2 4.18Å; F322-T327 HydrophobicContact CG-CG2 4.4Å; R324-T327 PolarHBondContact O-N 3.42Å; H325-T327 PolarHBondContact O-N 2.56Å; T327-H331 VanDerWaalsContact O-CB 3.27Å; T327-H331 WeakPolarHBondContact O-CB 3.21Å; T327-H331 PolarHBondContact O-N 3.05Å
328	L	83.2	Confident	76.8	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.063	40%	0.395	C	S	.	.	H	α-helix	trans	-62.9	-49.3	171.4	171	62.9	0	0	0	111.3	H313 C315 F322 R324 H325 C330 H331 Q332	H313-L328 HydrophobicContact CB-CB 4.12Å; H313-L328 HydrophobicContact CB-CD2 3.8Å; C315-L328 HydrophobicContact CB-CD1 3.54Å; F322-L328 HydrophobicContact CB-CB 4.33Å; F322-L328 HydrophobicContact CD2-CB 3.92Å; F322-L328 HydrophobicContact CD2-CD1 3.75Å; F322-L328 HydrophobicContact CD2-CG 4.44Å; F322-L328 HydrophobicContact CE2-CD1 3.93Å; F322-L328 HydrophobicContact CG-CB 4.31Å; R324-L328 PolarHBondContact O-N 3.01Å; H325-L328 WeakPolarHBondContact O-CA 3.13Å; H325-L328 WeakPolarHBondContact O-CB 3.48Å; H325-L328 PolarHBondContact O-N 3.46Å; L328-C330 VanDerWaalsContact C-N 3.3Å; L328-C330 PolarHBondContact O-N 3.2Å; L328-H331 CarbonylContact O-C 3.51Å; L328-H331 WeakPolarHBondContact O-CA 3.49Å; L328-H331 WeakPolarHBondContact O-CB 3.04Å; L328-H331 PolarHBondContact O-N 3.42Å; L328-Q332 HydrophobicContact CD1-CG 4.08Å; L328-Q332 HydrophobicContact CG-CG 4.47Å; L328-Q332 WeakPolarHBondContact O-CG 3.31Å; L328-Q332 PolarHBondContact O-N 2.79Å
329	L	81.3	Confident	75.7	Confident	81 Å²	81	69.8 Å²	69.8	42%	0.424	39%	0.388	S	S	.	.	H	α-helix	trans	-56.7	-45.9	178	-70.9	178.2	0	0	0	111.6	H325 H331 Q332 Q333	H325-L329 PolarHBondContact O-N 2.94Å; L329-H331 VanDerWaalsContact C-N 3.27Å; L329-H331 PolarHBondContact O-N 3.25Å; L329-Q332 PolarHBondContact O-N 3.1Å; L329-Q333 WeakPolarHBondContact O-CG 3.39Å; L329-Q333 PolarHBondContact O-N 3.33Å
330	C	73.9	Confident	75	Confident	47 Å²	47	72.2 Å²	72.2	32%	0.318	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-34.9	175.4	-177.9	0	0	0	0	112.6	S326 L328 R352	S326-C330 WeakPolarHBondContact O-CB 3.46Å; S326-C330 PolarHBondContact O-N 3.25Å; S326-C330 VanDerWaalsContact O-N 3.12Å; L328-C330 VanDerWaalsContact C-N 3.3Å; L328-C330 PolarHBondContact O-N 3.2Å; C330-R352 WeakPolarHBondContact SG-CD 3.27Å
331	H	81.3	Confident	74.6	Confident	20 Å²	20	69 Å²	69	9%	0.093	38%	0.378	C	S	.	.	H	α-helix	trans	-72.2	-37.4	176.9	169.1	70.4	0	0	0	112.1	C318 F322 T327 L328 L329 Q333 I334 H335	C318-H331 PolarHBondContact SG-NE2 3.14Å; F322-H331 HydrophobicContact CE1-CB 4.04Å; F322-H331 HydrophobicContact CE2-CB 3.94Å; F322-H331 AromaticContact CE2-CD2 3.36Å; F322-H331 WeakPolarHBondContact CE2-CD2 3.45Å; F322-H331 AromaticContact CE2-CG 3.63Å; F322-H331 HydrophobicContact CZ-CB 3.53Å; F322-H331 AromaticContact CZ-CD2 3.38Å; F322-H331 WeakPolarHBondContact CZ-CD2 3.13Å; F322-H331 AromaticContact CZ-CG 3.19Å; F322-H331 AromaticContact CZ-ND1 3.65Å; F322-H331 AromaticContact CZ-NE2 3.88Å; T327-H331 VanDerWaalsContact O-CB 3.27Å; T327-H331 WeakPolarHBondContact O-CB 3.21Å; T327-H331 PolarHBondContact O-N 3.05Å; L328-H331 CarbonylContact O-C 3.51Å; L328-H331 WeakPolarHBondContact O-CA 3.49Å; L328-H331 WeakPolarHBondContact O-CB 3.04Å; L328-H331 PolarHBondContact O-N 3.42Å; L329-H331 VanDerWaalsContact C-N 3.27Å; L329-H331 PolarHBondContact O-N 3.25Å; H331-Q333 PolarHBondContact O-N 3.07Å; H331-I334 WeakPolarHBondContact O-CB 3.35Å; H331-I334 WeakPolarHBondContact O-CG1 3.49Å; H331-I334 PolarHBondContact O-N 2.99Å; H331-H335 AromaticContact CD2-NE2 3.79Å; H331-H335 AromaticContact CE1-NE2 3.54Å; H331-H335 AromaticContact NE2-CD2 3.94Å; H331-H335 AromaticContact NE2-CE1 3.89Å; H331-H335 AromaticContact NE2-NE2 3.03Å; H331-H335 PolarHBondContact NE2-NE2 3.03Å
332	Q	78.4	Confident	74.4	Confident	57 Å²	57	74.2 Å²	74.2	27%	0.266	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-30.5	176.5	-74.1	172.2	-50.1	0	0	112.3	L328 L329 I334 H335 S336	L328-Q332 HydrophobicContact CD1-CG 4.08Å; L328-Q332 HydrophobicContact CG-CG 4.47Å; L328-Q332 WeakPolarHBondContact O-CG 3.31Å; L328-Q332 PolarHBondContact O-N 2.79Å; L329-Q332 PolarHBondContact O-N 3.1Å; Q332-I334 PolarHBondContact O-N 2.92Å; Q332-H335 PolarHBondContact O-N 3.39Å; Q332-S336 PolarHBondContact O-N 3.23Å; Q332-S336 PolarHBondContact O-OG 2.85Å
333	Q	73.2	Confident	74.5	Confident	106 Å²	106	72.6 Å²	72.6	50%	0.495	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-17.8	172.1	-58	-55.9	-57.8	0	0	113.8	L329 H331	L329-Q333 WeakPolarHBondContact O-CG 3.39Å; L329-Q333 PolarHBondContact O-N 3.33Å; H331-Q333 PolarHBondContact O-N 3.07Å
334	I	71.3	Confident	74.6	Confident	97 Å²	97	75.9 Å²	75.9	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-75.9	-33.8	176	-56.9	173.6	0	0	0	111	H331 Q332	H331-I334 WeakPolarHBondContact O-CB 3.35Å; H331-I334 WeakPolarHBondContact O-CG1 3.49Å; H331-I334 PolarHBondContact O-N 2.99Å; Q332-I334 PolarHBondContact O-N 2.92Å
335	H	75	Confident	74.5	Confident	73 Å²	73	76.3 Å²	76.3	34%	0.338	41%	0.413	S	S	.	.	H	α-helix	trans	-79.1	-36.3	179.6	-59.6	-54.1	0	0	0	111.4	C315 E317 C318 H331 Q332 K337	C315-H335 PolarHBondContact SG-NE2 2.91Å; C315-H335 VanDerWaalsContact SG-NE2 3.45Å; E317-H335 WeakPolarHBondContact OE2-CB 3.34Å; E317-H335 IonicContact OE2-CD2 3.54Å; E317-H335 PolarHBondContact OE2-CD2 3.19Å; E317-H335 IonicContact OE2-CG 2.61Å; C318-H335 PolarHBondContact SG-NE2 3.4Å; C318-H335 VanDerWaalsContact SG-NE2 3.38Å; H331-H335 AromaticContact CD2-NE2 3.79Å; H331-H335 AromaticContact CE1-NE2 3.54Å; H331-H335 AromaticContact NE2-CD2 3.94Å; H331-H335 AromaticContact NE2-CE1 3.89Å; H331-H335 AromaticContact NE2-NE2 3.03Å; H331-H335 PolarHBondContact NE2-NE2 3.03Å; Q332-H335 PolarHBondContact O-N 3.39Å; H335-K337 VanDerWaalsContact C-N 3.31Å; H335-K337 PolarHBondContact O-N 3.43Å
336	S	68.7	Low	74.6	Confident	78 Å²	78	74.7 Å²	74.7	55%	0.545	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	17.1	-176.5	-42.2	0	0	0	0	115.5	Q332	Q332-S336 PolarHBondContact O-N 3.23Å; Q332-S336 PolarHBondContact O-OG 2.85Å
337	K	68.5	Low	74.4	Confident	120 Å²	120	72.5 Å²	72.5	52%	0.522	40%	0.402	S	S	.	.			trans	-47.8	144	-166	-97.5	-171.2	-168.5	-174.4	0	114.6	H335 N339	H335-K337 VanDerWaalsContact C-N 3.31Å; H335-K337 PolarHBondContact O-N 3.43Å; K337-N339 WeakPolarHBondContact CE-OD1 3.38Å
338	P	56.9	Low	74.3	Confident	108 Å²	108	74.3 Å²	74.3	70%	0.701	41%	0.406	S	S	*	.				-118.1	142.7	52.2	31.9	-19.7	0	0	0	114.5	T340	P338-T340 WeakPolarHBondContact O-CG2 3.16Å; P338-T340 PolarHBondContact O-N 3.23Å
339	N	60	Low	74	Confident	40 Å²	40	75.9 Å²	75.9	21%	0.214	42%	0.418	C	S	.	.			trans	-21.5	95.9	157.6	-72.6	-10.9	0	0	0	112.8	K337 H341 S349 F350 G351	K337-N339 WeakPolarHBondContact CE-OD1 3.38Å; N339-H341 PolarHBondContact O-N 2.74Å; N339-S349 VanDerWaalsContact CB-C 3.47Å; N339-S349 PolarHBondContact ND2-O 3.47Å; N339-S349 WeakPolarHBondContact O-CB 3.45Å; N339-F350 CarbonylContact C-O 3.6Å; N339-F350 VanDerWaalsContact CA-O 3.27Å; N339-F350 WeakPolarHBondContact CA-O 3.41Å; N339-F350 VanDerWaalsContact CB-C 3.47Å; N339-F350 WeakPolarHBondContact CB-O 3.44Å; N339-G351 WeakPolarHBondContact OD1-CA 3.13Å; N339-G351 PolarHBondContact OD1-N 3.42Å
340	T	65.8	Low	73.7	Confident	105 Å²	105	73.6 Å²	73.6	64%	0.644	40%	0.404	S	S	*	.	S	Bend	trans	-72.7	-19.8	-173	51.8	0	0	0	0	112.4	P338 K342 F350	P338-T340 WeakPolarHBondContact O-CG2 3.16Å; P338-T340 PolarHBondContact O-N 3.23Å; T340-K342 PolarHBondContact O-N 3.02Å; T340-F350 PolarHBondContact N-O 2.9Å
341	H	73.6	Confident	73.6	Confident	59 Å²	59	72.9 Å²	72.9	27%	0.273	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	86.8	-174.9	-60	-65.7	0	0	0	109.9	N339 F350 N353 L356	N339-H341 PolarHBondContact O-N 2.74Å; H341-F350 HydrophobicContact CB-CB 4.41Å; H341-F350 PolarHBondContact N-O 3.38Å; H341-F350 PolarHBondContact O-N 3.29Å; H341-N353 PolarHBondContact CD2-N 3.45Å; H341-N353 PolarHBondContact NE2-N 2.91Å; H341-L356 HydrophobicContact CB-CB 3.83Å; H341-L356 HydrophobicContact CB-CD2 3.7Å; H341-L356 HydrophobicContact CB-CG 4.35Å
342	K	78	Confident	73.2	Confident	138 Å²	138	77.7 Å²	77.7	60%	0.6	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.4	178.3	-169.9	176.5	178.3	-176.5	0	111.3	T340 S344 G347	T340-K342 PolarHBondContact O-N 3.02Å; K342-S344 PolarHBondContact O-N 3.4Å; K342-G347 VanDerWaalsContact CE-O 3.32Å; K342-G347 WeakPolarHBondContact CE-O 3.17Å
343	C	80.8	Confident	73	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.007	43%	0.429	C	S	.	.			trans	-69.4	125.6	168.5	-178.7	0	0	0	0	109.7	E345 G347 Q348 F350 L356 H359 H363	C343-E345 VanDerWaalsContact C-N 3.26Å; C343-E345 PolarHBondContact O-N 3.49Å; C343-E345 PolarHBondContact SG-N 2.93Å; C343-E345 VanDerWaalsContact SG-N 3.44Å; C343-G347 WeakPolarHBondContact O-CA 3.04Å; C343-G347 PolarHBondContact O-N 2.96Å; C343-Q348 WeakPolarHBondContact CB-O 3.27Å; C343-Q348 PolarHBondContact N-O 3.01Å; C343-F350 HydrophobicContact CB-CE2 4.43Å; C343-L356 VanDerWaalsContact CA-CD1 3.48Å; C343-L356 HydrophobicContact CB-CD1 3.71Å; C343-H359 PolarHBondContact SG-NE2 3.05Å; C343-H363 VanDerWaalsContact SG-CD2 3.51Å; C343-H363 PolarHBondContact SG-NE2 3.45Å; C343-H363 VanDerWaalsContact SG-NE2 3.43Å
344	S	79.9	Confident	73.1	Confident	104 Å²	104	78.6 Å²	78.6	73%	0.727	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.3	177	44.8	0	0	0	0	113	K342	K342-S344 PolarHBondContact O-N 3.4Å
345	E	77.5	Confident	73.4	Confident	114 Å²	114	75.7 Å²	75.7	53%	0.533	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-42.1	-171.1	-61.1	-172	-129.1	0	0	113.3	C343 H363	C343-E345 VanDerWaalsContact C-N 3.26Å; C343-E345 PolarHBondContact O-N 3.49Å; C343-E345 PolarHBondContact SG-N 2.93Å; C343-E345 VanDerWaalsContact SG-N 3.44Å; E345-H363 HydrophobicContact CB-CB 4.29Å; E345-H363 VanDerWaalsContact CD-CB 3.4Å; E345-H363 HydrophobicContact CG-CB 4.42Å; E345-H363 WeakPolarHBondContact OE2-CB 3.5Å; E345-H363 IonicContact OE2-CG 2.73Å
346	C	79.7	Confident	73.6	Confident	65 Å²	65	72.9 Å²	72.9	44%	0.439	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	4.4	179.7	78.2	0	0	0	0	114.1	Q348 H359 H363	C346-Q348 PolarHBondContact O-N 3.46Å; C346-Q348 VanDerWaalsContact SG-CB 3.51Å; C346-H359 PolarHBondContact SG-CE1 3.2Å; C346-H359 PolarHBondContact SG-NE2 3.08Å; C346-H363 PolarHBondContact SG-NE2 3.05Å; C346-H363 VanDerWaalsContact SG-NE2 3.43Å
347	G	76.5	Confident	74.1	Confident	33 Å²	33	73.1 Å²	73.1	34%	0.34	40%	0.403	S	S	.	.			trans	69.7	2.5	177.6	0	0	0	0	0	115.6	K342 C343	K342-G347 VanDerWaalsContact CE-O 3.32Å; K342-G347 WeakPolarHBondContact CE-O 3.17Å; C343-G347 WeakPolarHBondContact O-CA 3.04Å; C343-G347 PolarHBondContact O-N 2.96Å
348	Q	78	Confident	74.3	Confident	102 Å²	102	70.5 Å²	70.5	48%	0.477	39%	0.392	S	S	.	.			trans	-72.8	131	-177.7	-163.2	175	21.4	0	0	110.5	C343 C346 F350 H359	C343-Q348 WeakPolarHBondContact CB-O 3.27Å; C343-Q348 PolarHBondContact N-O 3.01Å; C346-Q348 PolarHBondContact O-N 3.46Å; C346-Q348 VanDerWaalsContact SG-CB 3.51Å; Q348-F350 HydrophobicContact CB-CE2 4.05Å; Q348-F350 HydrophobicContact CB-CZ 4.22Å; Q348-F350 HydrophobicContact CG-CE2 4.12Å; Q348-F350 HydrophobicContact CG-CZ 3.9Å; Q348-F350 WeakPolarHBondContact O-CE2 3.42Å; Q348-H359 PolarHBondContact OE1-CE1 2.98Å; Q348-H359 PolarHBondContact OE1-ND1 2.84Å
349	S	75.7	Confident	75.4	Confident	45 Å²	45	66.2 Å²	66.2	32%	0.315	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.8	-177.4	-51.3	0	0	0	0	111.7	N339	N339-S349 VanDerWaalsContact CB-C 3.47Å; N339-S349 PolarHBondContact ND2-O 3.47Å; N339-S349 WeakPolarHBondContact O-CB 3.45Å
350	F	75.8	Confident	76.2	Confident	34 Å²	34	67 Å²	67	15%	0.149	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.6	178.5	-60	-89.6	0	0	0	111.9	N339 T340 H341 C343 Q348 R352 D355 L356 H359	N339-F350 CarbonylContact C-O 3.6Å; N339-F350 VanDerWaalsContact CA-O 3.27Å; N339-F350 WeakPolarHBondContact CA-O 3.41Å; N339-F350 VanDerWaalsContact CB-C 3.47Å; N339-F350 WeakPolarHBondContact CB-O 3.44Å; T340-F350 PolarHBondContact N-O 2.9Å; H341-F350 HydrophobicContact CB-CB 4.41Å; H341-F350 PolarHBondContact N-O 3.38Å; H341-F350 PolarHBondContact O-N 3.29Å; C343-F350 HydrophobicContact CB-CE2 4.43Å; Q348-F350 HydrophobicContact CB-CE2 4.05Å; Q348-F350 HydrophobicContact CB-CZ 4.22Å; Q348-F350 HydrophobicContact CG-CE2 4.12Å; Q348-F350 HydrophobicContact CG-CZ 3.9Å; Q348-F350 WeakPolarHBondContact O-CE2 3.42Å; F350-R352 VanDerWaalsContact C-N 3.29Å; F350-D355 HydrophobicContact CB-CB 4.11Å; F350-D355 HydrophobicContact CD1-CB 3.85Å; F350-D355 HydrophobicContact CG-CB 4.24Å; F350-L356 HydrophobicContact CB-CB 4.21Å; F350-L356 HydrophobicContact CD2-CB 3.93Å; F350-L356 HydrophobicContact CD2-CD1 3.82Å; F350-L356 HydrophobicContact CE2-CD1 4.13Å; F350-L356 HydrophobicContact CG-CB 4.27Å; F350-H359 HydrophobicContact CD2-CB 4.5Å; F350-H359 HydrophobicContact CE1-CB 3.87Å; F350-H359 HydrophobicContact CE2-CB 3.69Å; F350-H359 AromaticContact CE2-CD2 3.43Å; F350-H359 VanDerWaalsContact CE2-CD2 3.43Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.26Å; F350-H359 AromaticContact CE2-CG 3.45Å; F350-H359 VanDerWaalsContact CE2-CG 3.45Å; F350-H359 AromaticContact CE2-NE2 3.99Å; F350-H359 HydrophobicContact CZ-CB 3.34Å; F350-H359 AromaticContact CZ-CD2 3.62Å; F350-H359 AromaticContact CZ-CE1 3.95Å; F350-H359 AromaticContact CZ-CG 3.15Å; F350-H359 AromaticContact CZ-ND1 3.42Å; F350-H359 WeakPolarHBondContact CZ-ND1 3.35Å
351	G	71.6	Confident	76.6	Confident	31 Å²	31	67.4 Å²	67.4	32%	0.32	36%	0.355	S	S	.	.	S	Bend	trans	-78.3	-12	177.9	0	0	0	0	0	114	N339	N339-G351 WeakPolarHBondContact OD1-CA 3.13Å; N339-G351 PolarHBondContact OD1-N 3.42Å
352	R	71.9	Confident	76.4	Confident	122 Å²	122	69.2 Å²	69.2	46%	0.46	37%	0.366	S	S	.	.	S	Bend	trans	-139.1	141.2	178.8	-51.1	-178.3	-58.9	178.9	-1.8	110.3	C330 F350 V354 D355 L356	C330-R352 WeakPolarHBondContact SG-CD 3.27Å; F350-R352 VanDerWaalsContact C-N 3.29Å; R352-V354 VanDerWaalsContact C-N 3.26Å; R352-V354 PolarHBondContact O-N 3.31Å; R352-D355 WeakPolarHBondContact CB-OD2 3.22Å; R352-D355 IonicContact CZ-OD1 2.82Å; R352-D355 IonicContact CZ-OD2 2.67Å; R352-D355 IonicContact NE-OD1 2.74Å; R352-D355 IonicContact NE-OD2 3.19Å; R352-D355 PolarHBondContact NE-OD2 3.24Å; R352-D355 IonicContact NH2-OD1 3.53Å; R352-D355 PolarHBondContact NH2-OD1 3.15Å; R352-D355 IonicContact NH2-OD2 3.39Å; R352-D355 PolarHBondContact NH2-OD2 3.13Å; R352-D355 PolarHBondContact O-N 3.48Å; R352-D355 VanDerWaalsContact O-N 3.07Å; R352-L356 PolarHBondContact O-N 3.42Å
353	N	75.1	Confident	76.1	Confident	79 Å²	79	65.4 Å²	65.4	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-36.1	178.8	-166.2	18.8	0	0	0	112.8	H341 D355 L356 I357	H341-N353 PolarHBondContact CD2-N 3.45Å; H341-N353 PolarHBondContact NE2-N 2.91Å; N353-D355 PolarHBondContact O-N 2.96Å; N353-L356 WeakPolarHBondContact O-CB 3.46Å; N353-L356 PolarHBondContact O-N 3.47Å; N353-L356 VanDerWaalsContact O-N 3.13Å; N353-I357 WeakPolarHBondContact O-CG1 3.45Å; N353-I357 PolarHBondContact O-N 3.32Å
354	V	75.4	Confident	75.4	Confident	102 Å²	102	67.8 Å²	67.8	62%	0.618	37%	0.365	S	S	*	.	H	α-helix	trans	-60.2	-37.4	177.4	-179.9	0	0	0	0	111.5	R352 Q358	R352-V354 VanDerWaalsContact C-N 3.26Å; R352-V354 PolarHBondContact O-N 3.31Å; V354-Q358 WeakPolarHBondContact O-CB 3.02Å; V354-Q358 PolarHBondContact O-N 3.29Å
355	D	77	Confident	74.4	Confident	37 Å²	37	73 Å²	73	20%	0.198	37%	0.374	C	S	.	.	H	α-helix	trans	-73.1	-34	178.6	-57.8	-33.8	0	0	0	110.9	F350 R352 N353 H359	F350-D355 HydrophobicContact CB-CB 4.11Å; F350-D355 HydrophobicContact CD1-CB 3.85Å; F350-D355 HydrophobicContact CG-CB 4.24Å; R352-D355 WeakPolarHBondContact CB-OD2 3.22Å; R352-D355 IonicContact CZ-OD1 2.82Å; R352-D355 IonicContact CZ-OD2 2.67Å; R352-D355 IonicContact NE-OD1 2.74Å; R352-D355 IonicContact NE-OD2 3.19Å; R352-D355 PolarHBondContact NE-OD2 3.24Å; R352-D355 IonicContact NH2-OD1 3.53Å; R352-D355 PolarHBondContact NH2-OD1 3.15Å; R352-D355 IonicContact NH2-OD2 3.39Å; R352-D355 PolarHBondContact NH2-OD2 3.13Å; R352-D355 PolarHBondContact O-N 3.48Å; R352-D355 VanDerWaalsContact O-N 3.07Å; N353-D355 PolarHBondContact O-N 2.96Å; D355-H359 VanDerWaalsContact O-CB 3.26Å; D355-H359 WeakPolarHBondContact O-CB 3.19Å; D355-H359 PolarHBondContact O-N 3.44Å
356	L	80.6	Confident	73.5	Confident	14 Å²	14	73.4 Å²	73.4	7%	0.073	38%	0.376	C	S	.	.	H	α-helix	trans	-65.3	-52.8	172.2	171.3	63.2	0	0	0	111.8	H341 C343 F350 R352 N353 Q358 H359 Q360	H341-L356 HydrophobicContact CB-CB 3.83Å; H341-L356 HydrophobicContact CB-CD2 3.7Å; H341-L356 HydrophobicContact CB-CG 4.35Å; C343-L356 VanDerWaalsContact CA-CD1 3.48Å; C343-L356 HydrophobicContact CB-CD1 3.71Å; F350-L356 HydrophobicContact CB-CB 4.21Å; F350-L356 HydrophobicContact CD2-CB 3.93Å; F350-L356 HydrophobicContact CD2-CD1 3.82Å; F350-L356 HydrophobicContact CE2-CD1 4.13Å; F350-L356 HydrophobicContact CG-CB 4.27Å; R352-L356 PolarHBondContact O-N 3.42Å; N353-L356 WeakPolarHBondContact O-CB 3.46Å; N353-L356 PolarHBondContact O-N 3.47Å; N353-L356 VanDerWaalsContact O-N 3.13Å; L356-Q358 PolarHBondContact O-N 3.1Å; L356-H359 CarbonylContact O-C 3.52Å; L356-H359 WeakPolarHBondContact O-CA 3.43Å; L356-H359 WeakPolarHBondContact O-CB 3.26Å; L356-H359 PolarHBondContact O-N 3.28Å; L356-Q360 HydrophobicContact CD1-CG 4.08Å; L356-Q360 HydrophobicContact CG-CG 4.43Å; L356-Q360 WeakPolarHBondContact O-CG 3.5Å; L356-Q360 PolarHBondContact O-N 3.42Å
357	I	77.3	Confident	72.5	Confident	83 Å²	83	79.3 Å²	79.3	43%	0.426	40%	0.397	S	S	.	.	H	α-helix	trans	-56.9	-39.7	178	-67.2	167.5	0	0	0	110.1	N353 Q360	N353-I357 WeakPolarHBondContact O-CG1 3.45Å; N353-I357 PolarHBondContact O-N 3.32Å; I357-Q360 PolarHBondContact O-N 2.99Å
358	Q	73.1	Confident	72.2	Confident	65 Å²	65	81.2 Å²	81.2	30%	0.304	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-41	176.2	173.3	171	78.1	0	0	112.6	V354 L356 R361 F380	V354-Q358 WeakPolarHBondContact O-CB 3.02Å; V354-Q358 PolarHBondContact O-N 3.29Å; L356-Q358 PolarHBondContact O-N 3.1Å; Q358-R361 WeakPolarHBondContact O-CB 3.41Å; Q358-F380 HydrophobicContact CG-CE1 3.41Å; Q358-F380 VanDerWaalsContact CG-CE1 3.41Å; Q358-F380 HydrophobicContact CG-CE2 4.49Å; Q358-F380 HydrophobicContact CG-CZ 3.23Å
359	H	79.8	Confident	72.1	Confident	17 Å²	17	80.2 Å²	80.2	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-68.7	-36	175.6	165.8	84	0	0	0	112.4	C343 C346 Q348 F350 D355 L356 R361 I362 H363	C343-H359 PolarHBondContact SG-NE2 3.05Å; C346-H359 PolarHBondContact SG-CE1 3.2Å; C346-H359 PolarHBondContact SG-NE2 3.08Å; Q348-H359 PolarHBondContact OE1-CE1 2.98Å; Q348-H359 PolarHBondContact OE1-ND1 2.84Å; F350-H359 HydrophobicContact CD2-CB 4.5Å; F350-H359 HydrophobicContact CE1-CB 3.87Å; F350-H359 HydrophobicContact CE2-CB 3.69Å; F350-H359 AromaticContact CE2-CD2 3.43Å; F350-H359 VanDerWaalsContact CE2-CD2 3.43Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.26Å; F350-H359 AromaticContact CE2-CG 3.45Å; F350-H359 VanDerWaalsContact CE2-CG 3.45Å; F350-H359 AromaticContact CE2-NE2 3.99Å; F350-H359 HydrophobicContact CZ-CB 3.34Å; F350-H359 AromaticContact CZ-CD2 3.62Å; F350-H359 AromaticContact CZ-CE1 3.95Å; F350-H359 AromaticContact CZ-CG 3.15Å; F350-H359 AromaticContact CZ-ND1 3.42Å; F350-H359 WeakPolarHBondContact CZ-ND1 3.35Å; D355-H359 VanDerWaalsContact O-CB 3.26Å; D355-H359 WeakPolarHBondContact O-CB 3.19Å; D355-H359 PolarHBondContact O-N 3.44Å; L356-H359 CarbonylContact O-C 3.52Å; L356-H359 WeakPolarHBondContact O-CA 3.43Å; L356-H359 WeakPolarHBondContact O-CB 3.26Å; L356-H359 PolarHBondContact O-N 3.28Å; H359-R361 PolarHBondContact O-N 3.29Å; H359-R361 VanDerWaalsContact O-N 3.14Å; H359-I362 VanDerWaalsContact O-CB 3.24Å; H359-I362 WeakPolarHBondContact O-CB 3.45Å; H359-I362 WeakPolarHBondContact O-CG1 3.24Å; H359-I362 PolarHBondContact O-N 3.07Å; H359-H363 AromaticContact CD2-NE2 3.79Å; H359-H363 AromaticContact CE1-NE2 3.54Å; H359-H363 AromaticContact NE2-CD2 3.79Å; H359-H363 AromaticContact NE2-CE1 3.99Å; H359-H363 AromaticContact NE2-NE2 2.98Å; H359-H363 PolarHBondContact NE2-NE2 3.4Å
360	Q	76.6	Confident	72	Confident	58 Å²	58	84 Å²	84	27%	0.271	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-26.3	178	-77.8	173.9	-36.3	0	0	113	L356 I357 I362 H363 T364	L356-Q360 HydrophobicContact CD1-CG 4.08Å; L356-Q360 HydrophobicContact CG-CG 4.43Å; L356-Q360 WeakPolarHBondContact O-CG 3.5Å; L356-Q360 PolarHBondContact O-N 3.42Å; I357-Q360 PolarHBondContact O-N 2.99Å; Q360-I362 PolarHBondContact O-N 2.95Å; Q360-I362 VanDerWaalsContact O-N 3.1Å; Q360-H363 PolarHBondContact O-N 2.74Å; Q360-T364 PolarHBondContact O-N 3.04Å; Q360-T364 PolarHBondContact O-OG1 3.4Å
361	R	74.3	Confident	72.2	Confident	112 Å²	112	82.4 Å²	82.4	42%	0.423	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.6	171.9	-60.4	179.5	-178.5	-163.7	-5.6	114.5	Q358 H359 H363 T364 F368	Q358-R361 WeakPolarHBondContact O-CB 3.41Å; H359-R361 PolarHBondContact O-N 3.29Å; H359-R361 VanDerWaalsContact O-N 3.14Å; R361-H363 VanDerWaalsContact C-N 3.33Å; R361-T364 VanDerWaalsContact O-O 3.1Å; R361-F368 WeakPolarHBondContact O-CZ 3.36Å
362	I	71.1	Confident	72.5	Confident	97 Å²	97	84.8 Å²	84.8	50%	0.497	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-29.5	173.9	-59.3	171.5	0	0	0	110	H359 Q360	H359-I362 VanDerWaalsContact O-CB 3.24Å; H359-I362 WeakPolarHBondContact O-CB 3.45Å; H359-I362 WeakPolarHBondContact O-CG1 3.24Å; H359-I362 PolarHBondContact O-N 3.07Å; Q360-I362 PolarHBondContact O-N 2.95Å; Q360-I362 VanDerWaalsContact O-N 3.1Å
363	H	71.4	Confident	72.7	Confident	58 Å²	58	85 Å²	85	27%	0.269	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-38.5	-176.4	-50.9	-61.7	0	0	0	112.8	C343 E345 C346 H359 Q360 R361 K365	C343-H363 VanDerWaalsContact SG-CD2 3.51Å; C343-H363 PolarHBondContact SG-NE2 3.45Å; C343-H363 VanDerWaalsContact SG-NE2 3.43Å; E345-H363 HydrophobicContact CB-CB 4.29Å; E345-H363 VanDerWaalsContact CD-CB 3.4Å; E345-H363 HydrophobicContact CG-CB 4.42Å; E345-H363 WeakPolarHBondContact OE2-CB 3.5Å; E345-H363 IonicContact OE2-CG 2.73Å; C346-H363 PolarHBondContact SG-NE2 3.05Å; C346-H363 VanDerWaalsContact SG-NE2 3.43Å; H359-H363 AromaticContact CD2-NE2 3.79Å; H359-H363 AromaticContact CE1-NE2 3.54Å; H359-H363 AromaticContact NE2-CD2 3.79Å; H359-H363 AromaticContact NE2-CE1 3.99Å; H359-H363 AromaticContact NE2-NE2 2.98Å; H359-H363 PolarHBondContact NE2-NE2 3.4Å; Q360-H363 PolarHBondContact O-N 2.74Å; R361-H363 VanDerWaalsContact C-N 3.33Å; H363-K365 PolarHBondContact O-N 3.48Å
364	T	65.2	Low	72.9	Confident	52 Å²	52	83.8 Å²	83.8	32%	0.319	42%	0.424	S	S	.	.	S	Bend	trans	-71.9	127.3	167.3	55	0	0	0	0	108.4	Q360 R361 E366	Q360-T364 PolarHBondContact O-N 3.04Å; Q360-T364 PolarHBondContact O-OG1 3.4Å; R361-T364 VanDerWaalsContact O-O 3.1Å; T364-E366 PolarHBondContact O-N 3.21Å
365	K	58.1	Low	72.9	Confident	213 Å²	213	80.6 Å²	80.6	93%	0.926	41%	0.412	S	S	*	.			trans	-66.3	31.8	174	-65.8	-180	178.5	176.8	0	112.8	H363	H363-K365 PolarHBondContact O-N 3.48Å
366	E	60	Low	72.8	Confident	122 Å²	122	84.9 Å²	84.9	57%	0.57	43%	0.429	S	S	*	.			trans	-72.6	149.5	175	-73.3	-172.7	160.7	0	0	110.6	T364 F368	T364-E366 PolarHBondContact O-N 3.21Å; E366-F368 PolarHBondContact O-N 3.47Å
367	E	58	Low	72.3	Confident	190 Å²	190	88.1 Å²	88.1	89%	0.888	45%	0.449	S	S	*	.			trans	-51.5	104.9	-165.6	-66.5	-173.3	145.4	0	0	113.6
368	F	71.4	Confident	72.2	Confident	72 Å²	72	86.1 Å²	86.1	32%	0.316	44%	0.437	S	S	.	.			trans	-70.1	146.4	161	-61.5	-86.2	0	0	0	109.5	R361 E366 Q370 T377	R361-F368 WeakPolarHBondContact O-CZ 3.36Å; E366-F368 PolarHBondContact O-N 3.47Å; F368-Q370 PolarHBondContact O-N 3.45Å; F368-Q370 VanDerWaalsContact O-N 3.11Å; F368-T377 HydrophobicContact CB-CG2 4.1Å
369	F	74	Confident	71.9	Confident	81 Å²	81	84.6 Å²	84.6	36%	0.355	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	105.3	173	-62.3	-80.3	0	0	0	109	F378 K381 L384	F369-F378 PolarHBondContact N-O 2.97Å; F369-F378 PolarHBondContact O-N 2.91Å; F369-K381 HydrophobicContact CD1-CB 4.24Å; F369-K381 HydrophobicContact CD2-CB 4.26Å; F369-K381 VanDerWaalsContact CD2-N 3.25Å; F369-K381 HydrophobicContact CE1-CB 4.13Å; F369-K381 HydrophobicContact CE2-CB 4.15Å; F369-K381 HydrophobicContact CG-CB 4.3Å; F369-K381 HydrophobicContact CZ-CB 4.08Å; F369-L384 HydrophobicContact CB-CB 3.95Å; F369-L384 HydrophobicContact CB-CD2 3.64Å; F369-L384 HydrophobicContact CB-CG 4.36Å
370	Q	74.4	Confident	71.4	Confident	125 Å²	125	85.6 Å²	85.6	58%	0.584	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	138	179.4	-166.7	178	8.6	0	0	111.5	F368 G375 K376 T377	F368-Q370 PolarHBondContact O-N 3.45Å; F368-Q370 VanDerWaalsContact O-N 3.11Å; Q370-G375 WeakPolarHBondContact CG-O 3.45Å; Q370-G375 PolarHBondContact NE2-O 3.43Å; Q370-K376 CarbonylContact C-O 3.56Å; Q370-K376 WeakPolarHBondContact CA-O 3.37Å; Q370-T377 HydrophobicContact CB-CG2 4.18Å; Q370-T377 HydrophobicContact CG-CG2 4.1Å
371	C	80.1	Confident	71.4	Confident	0 Å²	0	90 Å²	90	0%	0	46%	0.456	C	S	.	.			trans	-77.8	119	169.1	-172.8	0	0	0	0	110	E373 G375 K376 F378 L384 H387	C371-E373 PolarHBondContact O-N 3.05Å; C371-G375 VanDerWaalsContact O-CA 3.25Å; C371-G375 WeakPolarHBondContact O-CA 3.29Å; C371-G375 PolarHBondContact O-N 2.54Å; C371-K376 WeakPolarHBondContact CB-O 3.35Å; C371-K376 PolarHBondContact N-O 3.14Å; C371-F378 HydrophobicContact CB-CE2 4.39Å; C371-L384 VanDerWaalsContact CA-CD1 3.49Å; C371-L384 HydrophobicContact CB-CD1 3.57Å; C371-H387 VanDerWaalsContact SG-CD2 3.56Å
372	G	77.7	Confident	71.4	Confident	81 Å²	81	93.1 Å²	93.1	84%	0.835	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.9	179.2	0	0	0	0	0	114.4
373	E	76.3	Confident	71.8	Confident	128 Å²	128	89.9 Å²	89.9	60%	0.598	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-28.7	-175.3	-66.6	173.1	177.3	0	0	113.9	C371 H391	C371-E373 PolarHBondContact O-N 3.05Å; E373-H391 WeakPolarHBondContact OE2-CB 2.94Å; E373-H391 IonicContact OE2-CD2 3.01Å; E373-H391 PolarHBondContact OE2-CD2 3.49Å; E373-H391 IonicContact OE2-CG 3.13Å
374	C	80.1	Confident	72.2	Confident	52 Å²	52	88 Å²	88	35%	0.351	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	3.4	-176.5	73.4	0	0	0	0	114.3	K376 H387 H391	C374-K376 PolarHBondContact O-N 2.8Å; C374-H387 PolarHBondContact SG-NE2 3.42Å; C374-H391 WeakPolarHBondContact CB-NE2 3.49Å; C374-H391 PolarHBondContact SG-NE2 3.4Å
375	G	74	Confident	72.8	Confident	35 Å²	35	90.5 Å²	90.5	36%	0.361	45%	0.45	S	S	.	.			trans	69.7	-1.3	178.3	0	0	0	0	0	116	Q370 C371	Q370-G375 WeakPolarHBondContact CG-O 3.45Å; Q370-G375 PolarHBondContact NE2-O 3.43Å; C371-G375 VanDerWaalsContact O-CA 3.25Å; C371-G375 WeakPolarHBondContact O-CA 3.29Å; C371-G375 PolarHBondContact O-N 2.54Å
376	K	74.8	Confident	73.8	Confident	128 Å²	128	86.9 Å²	86.9	56%	0.557	43%	0.43	S	S	*	.			trans	-66.1	134.9	179.6	-71.4	-177	-178.7	179.9	0	111.6	Q370 C371 C374 F378	Q370-K376 CarbonylContact C-O 3.56Å; Q370-K376 WeakPolarHBondContact CA-O 3.37Å; C371-K376 WeakPolarHBondContact CB-O 3.35Å; C371-K376 PolarHBondContact N-O 3.14Å; C374-K376 PolarHBondContact O-N 2.8Å; K376-F378 HydrophobicContact CB-CE2 3.75Å; K376-F378 HydrophobicContact CB-CZ 3.95Å; K376-F378 WeakPolarHBondContact O-CE2 3.48Å
377	T	71.6	Confident	74.8	Confident	82 Å²	82	82 Å²	82	50%	0.503	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	141	-178.7	50.6	0	0	0	0	111.5	F368 Q370	F368-T377 HydrophobicContact CB-CG2 4.1Å; Q370-T377 HydrophobicContact CB-CG2 4.18Å; Q370-T377 HydrophobicContact CG-CG2 4.1Å
378	F	73.6	Confident	75.8	Confident	41 Å²	41	76.3 Å²	76.3	18%	0.18	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	-178.9	-61.6	-87.8	0	0	0	111.2	F369 C371 K376 F380 N383 L384 H387	F369-F378 PolarHBondContact N-O 2.97Å; F369-F378 PolarHBondContact O-N 2.91Å; C371-F378 HydrophobicContact CB-CE2 4.39Å; K376-F378 HydrophobicContact CB-CE2 3.75Å; K376-F378 HydrophobicContact CB-CZ 3.95Å; K376-F378 WeakPolarHBondContact O-CE2 3.48Å; F378-F380 PolarHBondContact O-N 3.43Å; F378-N383 HydrophobicContact CB-CB 4.13Å; F378-N383 HydrophobicContact CD1-CB 3.9Å; F378-N383 HydrophobicContact CG-CB 4.29Å; F378-L384 HydrophobicContact CB-CB 4.19Å; F378-L384 HydrophobicContact CD2-CB 3.97Å; F378-L384 HydrophobicContact CD2-CD1 3.77Å; F378-L384 HydrophobicContact CD2-CG 4.5Å; F378-L384 HydrophobicContact CE2-CD1 4.06Å; F378-L384 HydrophobicContact CG-CB 4.27Å; F378-H387 HydrophobicContact CE1-CB 3.89Å; F378-H387 HydrophobicContact CE2-CB 3.72Å; F378-H387 AromaticContact CE2-CD2 3.36Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.4Å; F378-H387 AromaticContact CE2-CG 3.5Å; F378-H387 VanDerWaalsContact CE2-CG 3.5Å; F378-H387 HydrophobicContact CZ-CB 3.35Å; F378-H387 AromaticContact CZ-CD2 3.48Å; F378-H387 VanDerWaalsContact CZ-CD2 3.48Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.29Å; F378-H387 AromaticContact CZ-CG 3.14Å; F378-H387 AromaticContact CZ-ND1 3.6Å
379	S	67.9	Low	76.2	Confident	32 Å²	32	73 Å²	73	22%	0.224	37%	0.367	C	S	.	.	S	Bend	trans	-69.1	-15.5	175.5	51.9	0	0	0	0	114
380	F	69.4	Low	76.5	Confident	39 Å²	39	73.4 Å²	73.4	17%	0.171	37%	0.372	C	S	.	.	S	Bend	trans	-131.3	138.2	177.5	-52.7	-54.7	0	0	0	113.1	Q358 F378 R382 N383 L384	Q358-F380 HydrophobicContact CG-CE1 3.41Å; Q358-F380 VanDerWaalsContact CG-CE1 3.41Å; Q358-F380 HydrophobicContact CG-CE2 4.49Å; Q358-F380 HydrophobicContact CG-CZ 3.23Å; F378-F380 PolarHBondContact O-N 3.43Å; F380-R382 HydrophobicContact CB-CG 3.87Å; F380-R382 PolarHBondContact O-N 2.98Å; F380-N383 HydrophobicContact CB-CB 4.2Å; F380-N383 WeakPolarHBondContact CD2-ND2 3.26Å; F380-N383 WeakPolarHBondContact O-CA 3.16Å; F380-N383 WeakPolarHBondContact O-CB 3.35Å; F380-N383 PolarHBondContact O-N 3.41Å; F380-L384 PolarHBondContact O-N 3.47Å
381	K	75.3	Confident	76.7	Confident	149 Å²	149	71.3 Å²	71.3	65%	0.648	36%	0.362	S	S	*	.	H	α-helix	trans	-55.5	-36.6	169.6	-168.9	171.7	-176.1	172.3	0	112.8	F369 N383 L384 F385	F369-K381 HydrophobicContact CD1-CB 4.24Å; F369-K381 HydrophobicContact CD2-CB 4.26Å; F369-K381 VanDerWaalsContact CD2-N 3.25Å; F369-K381 HydrophobicContact CE1-CB 4.13Å; F369-K381 HydrophobicContact CE2-CB 4.15Å; F369-K381 HydrophobicContact CG-CB 4.3Å; F369-K381 HydrophobicContact CZ-CB 4.08Å; K381-N383 VanDerWaalsContact C-N 3.29Å; K381-N383 PolarHBondContact O-N 3.09Å; K381-L384 PolarHBondContact O-N 3.04Å; K381-F385 WeakPolarHBondContact O-CB 3.49Å; K381-F385 PolarHBondContact O-N 3.37Å
382	R	75.4	Confident	76.5	Confident	178 Å²	178	75.2 Å²	75.2	67%	0.672	39%	0.386	S	S	*	.	H	α-helix	trans	-63.4	-34.3	174.5	77.1	-179.4	176.1	175.8	-5.2	112.7	F380 R386	F380-R382 HydrophobicContact CB-CG 3.87Å; F380-R382 PolarHBondContact O-N 2.98Å; R382-R386 VanDerWaalsContact O-CB 3.31Å; R382-R386 WeakPolarHBondContact O-CB 3.38Å; R382-R386 PolarHBondContact O-N 3.44Å
383	N	79	Confident	76.2	Confident	30 Å²	30	73.6 Å²	73.6	16%	0.16	37%	0.369	C	S	.	.	H	α-helix	trans	-77.2	-39.9	179.9	-74.5	4	0	0	0	110.1	F378 F380 K381 R386 H387	F378-N383 HydrophobicContact CB-CB 4.13Å; F378-N383 HydrophobicContact CD1-CB 3.9Å; F378-N383 HydrophobicContact CG-CB 4.29Å; F380-N383 HydrophobicContact CB-CB 4.2Å; F380-N383 WeakPolarHBondContact CD2-ND2 3.26Å; F380-N383 WeakPolarHBondContact O-CA 3.16Å; F380-N383 WeakPolarHBondContact O-CB 3.35Å; F380-N383 PolarHBondContact O-N 3.41Å; K381-N383 VanDerWaalsContact C-N 3.29Å; K381-N383 PolarHBondContact O-N 3.09Å; N383-R386 PolarHBondContact O-N 3.27Å; N383-H387 VanDerWaalsContact O-CB 3.3Å; N383-H387 WeakPolarHBondContact O-CB 3.38Å; N383-H387 PolarHBondContact O-N 3.04Å
384	L	80.3	Confident	76	Confident	18 Å²	18	69.6 Å²	69.6	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-49.9	169.8	173.4	61.9	0	0	0	110.8	F369 C371 F378 F380 K381 R386 H387 Q388	F369-L384 HydrophobicContact CB-CB 3.95Å; F369-L384 HydrophobicContact CB-CD2 3.64Å; F369-L384 HydrophobicContact CB-CG 4.36Å; C371-L384 VanDerWaalsContact CA-CD1 3.49Å; C371-L384 HydrophobicContact CB-CD1 3.57Å; F378-L384 HydrophobicContact CB-CB 4.19Å; F378-L384 HydrophobicContact CD2-CB 3.97Å; F378-L384 HydrophobicContact CD2-CD1 3.77Å; F378-L384 HydrophobicContact CD2-CG 4.5Å; F378-L384 HydrophobicContact CE2-CD1 4.06Å; F378-L384 HydrophobicContact CG-CB 4.27Å; F380-L384 PolarHBondContact O-N 3.47Å; K381-L384 PolarHBondContact O-N 3.04Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.06Å; L384-H387 CarbonylContact O-C 3.57Å; L384-H387 WeakPolarHBondContact O-CA 3.46Å; L384-H387 WeakPolarHBondContact O-CB 3.31Å; L384-H387 PolarHBondContact O-N 3.22Å; L384-Q388 HydrophobicContact CD1-CG 4Å; L384-Q388 HydrophobicContact CG-CG 4.29Å; L384-Q388 WeakPolarHBondContact O-CG 3.42Å; L384-Q388 PolarHBondContact O-N 3Å
385	F	78.3	Confident	75.8	Confident	104 Å²	104	72.2 Å²	72.2	46%	0.456	36%	0.362	S	S	.	.	H	α-helix	trans	-57.9	-46.8	177.6	-179.1	-98	0	0	0	111.7	K381 H387 Q388 V389	K381-F385 WeakPolarHBondContact O-CB 3.49Å; K381-F385 PolarHBondContact O-N 3.37Å; F385-H387 PolarHBondContact O-N 2.99Å; F385-Q388 PolarHBondContact O-N 3.23Å; F385-V389 HydrophobicContact CD1-CG2 4.42Å; F385-V389 HydrophobicContact CE1-CG2 4.1Å; F385-V389 HydrophobicContact CZ-CG2 4.34Å; F385-V389 WeakPolarHBondContact O-CG2 3.34Å; F385-V389 PolarHBondContact O-N 3.41Å
386	R	78.6	Confident	75.8	Confident	137 Å²	137	73.8 Å²	73.8	52%	0.517	37%	0.366	S	S	.	.	H	α-helix	trans	-58	-36.3	174.6	-170.9	177.5	59.6	-174	-1.9	112.2	R382 N383 L384 W408	R382-R386 VanDerWaalsContact O-CB 3.31Å; R382-R386 WeakPolarHBondContact O-CB 3.38Å; R382-R386 PolarHBondContact O-N 3.44Å; N383-R386 PolarHBondContact O-N 3.27Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.06Å; R386-W408 HydrophobicContact CB-CZ3 4.29Å; R386-W408 HydrophobicContact CG-CE3 3.89Å; R386-W408 HydrophobicContact CG-CH2 3.66Å; R386-W408 HydrophobicContact CG-CZ3 3.21Å; R386-W408 WeakPolarHBondContact O-CH2 3.49Å; R386-W408 WeakPolarHBondContact O-CZ3 3.43Å
387	H	81.2	Confident	75.8	Confident	19 Å²	19	71.1 Å²	71.1	9%	0.088	35%	0.353	C	S	.	.	H	α-helix	trans	-73.8	-40.1	177.3	173.8	70.5	0	0	0	112.5	C371 C374 F378 N383 L384 F385 V389 I390 H391	C371-H387 VanDerWaalsContact SG-CD2 3.56Å; C374-H387 PolarHBondContact SG-NE2 3.42Å; F378-H387 HydrophobicContact CE1-CB 3.89Å; F378-H387 HydrophobicContact CE2-CB 3.72Å; F378-H387 AromaticContact CE2-CD2 3.36Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.4Å; F378-H387 AromaticContact CE2-CG 3.5Å; F378-H387 VanDerWaalsContact CE2-CG 3.5Å; F378-H387 HydrophobicContact CZ-CB 3.35Å; F378-H387 AromaticContact CZ-CD2 3.48Å; F378-H387 VanDerWaalsContact CZ-CD2 3.48Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.29Å; F378-H387 AromaticContact CZ-CG 3.14Å; F378-H387 AromaticContact CZ-ND1 3.6Å; N383-H387 VanDerWaalsContact O-CB 3.3Å; N383-H387 WeakPolarHBondContact O-CB 3.38Å; N383-H387 PolarHBondContact O-N 3.04Å; L384-H387 CarbonylContact O-C 3.57Å; L384-H387 WeakPolarHBondContact O-CA 3.46Å; L384-H387 WeakPolarHBondContact O-CB 3.31Å; L384-H387 PolarHBondContact O-N 3.22Å; F385-H387 PolarHBondContact O-N 2.99Å; H387-V389 PolarHBondContact O-N 3.07Å; H387-I390 WeakPolarHBondContact O-CA 3.06Å; H387-I390 WeakPolarHBondContact O-CB 3.49Å; H387-I390 WeakPolarHBondContact O-CG1 3.21Å; H387-I390 PolarHBondContact O-N 2.98Å; H387-H391 AromaticContact CE1-NE2 3.76Å; H387-H391 AromaticContact NE2-CD2 3.9Å; H387-H391 AromaticContact NE2-CE1 3.97Å; H387-H391 AromaticContact NE2-NE2 3.22Å; H387-H391 PolarHBondContact NE2-NE2 2.98Å
388	Q	79.1	Confident	76.3	Confident	71 Å²	71	73 Å²	73	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-31.6	175.4	-72.6	172	-37.2	0	0	112.7	L384 F385 I390 H391 T392	L384-Q388 HydrophobicContact CD1-CG 4Å; L384-Q388 HydrophobicContact CG-CG 4.29Å; L384-Q388 WeakPolarHBondContact O-CG 3.42Å; L384-Q388 PolarHBondContact O-N 3Å; F385-Q388 PolarHBondContact O-N 3.23Å; Q388-I390 PolarHBondContact O-N 3.24Å; Q388-H391 PolarHBondContact O-N 3.35Å; Q388-T392 PolarHBondContact O-N 3.14Å; Q388-T392 VanDerWaalsContact O-N 3.07Å; Q388-T392 PolarHBondContact O-OG1 2.9Å
389	V	80.3	Confident	76.7	Confident	4 Å²	4	71 Å²	71	2%	0.024	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-21.6	170.9	170.7	0	0	0	0	111.9	F385 H387 G393 S394 K407 W408	F385-V389 HydrophobicContact CD1-CG2 4.42Å; F385-V389 HydrophobicContact CE1-CG2 4.1Å; F385-V389 HydrophobicContact CZ-CG2 4.34Å; F385-V389 WeakPolarHBondContact O-CG2 3.34Å; F385-V389 PolarHBondContact O-N 3.41Å; H387-V389 PolarHBondContact O-N 3.07Å; V389-G393 PolarHBondContact O-N 3.26Å; V389-S394 WeakPolarHBondContact CG1-O 3.33Å; V389-K407 HydrophobicContact CG1-CD 4.25Å; V389-K407 HydrophobicContact CG1-CG 3.41Å; V389-K407 VanDerWaalsContact CG1-CG 3.41Å; V389-K407 WeakPolarHBondContact O-CE 3.48Å; V389-W408 HydrophobicContact CB-CZ3 4.21Å; V389-W408 HydrophobicContact CG1-CH2 4.36Å; V389-W408 HydrophobicContact CG1-CZ3 3.91Å
390	I	79.8	Confident	77.2	Confident	88 Å²	88	75.9 Å²	75.9	45%	0.451	38%	0.375	S	S	.	.	H	α-helix	trans	-70.5	-45.8	175	-57	175.2	0	0	0	110.9	H387 Q388 W408	H387-I390 WeakPolarHBondContact O-CA 3.06Å; H387-I390 WeakPolarHBondContact O-CB 3.49Å; H387-I390 WeakPolarHBondContact O-CG1 3.21Å; H387-I390 PolarHBondContact O-N 2.98Å; Q388-I390 PolarHBondContact O-N 3.24Å; I390-W408 HydrophobicContact CG1-CH2 4.17Å
391	H	78.4	Confident	77.7	Confident	82 Å²	82	78.5 Å²	78.5	38%	0.38	39%	0.39	S	S	.	.	H	α-helix	trans	-74.2	-45	-177	-61.7	-49.1	0	0	0	112.9	E373 C374 H387 Q388 G393	E373-H391 WeakPolarHBondContact OE2-CB 2.94Å; E373-H391 IonicContact OE2-CD2 3.01Å; E373-H391 PolarHBondContact OE2-CD2 3.49Å; E373-H391 IonicContact OE2-CG 3.13Å; C374-H391 WeakPolarHBondContact CB-NE2 3.49Å; C374-H391 PolarHBondContact SG-NE2 3.4Å; H387-H391 AromaticContact CE1-NE2 3.76Å; H387-H391 AromaticContact NE2-CD2 3.9Å; H387-H391 AromaticContact NE2-CE1 3.97Å; H387-H391 AromaticContact NE2-NE2 3.22Å; H387-H391 PolarHBondContact NE2-NE2 2.98Å; Q388-H391 PolarHBondContact O-N 3.35Å; H391-G393 PolarHBondContact O-N 3.31Å
392	T	75.3	Confident	78.1	Confident	82 Å²	82	74 Å²	74	50%	0.503	38%	0.377	S	S	.	.	S	Bend	trans	-72	-12.6	-179.4	53.9	0	0	0	0	113.4	Q388 S394	Q388-T392 PolarHBondContact O-N 3.14Å; Q388-T392 VanDerWaalsContact O-N 3.07Å; Q388-T392 PolarHBondContact O-OG1 2.9Å; T392-S394 PolarHBondContact O-N 3.21Å; T392-S394 WeakPolarHBondContact OG1-CB 3.17Å; T392-S394 PolarHBondContact OG1-N 3.27Å; T392-S394 PolarHBondContact OG1-OG 2.92Å
393	G	71.6	Confident	78.3	Confident	46 Å²	46	67.4 Å²	67.4	47%	0.474	36%	0.364	S	S	.	.			trans	60.4	8.1	-171.2	0	0	0	0	0	113.9	V389 H391 Q395	V389-G393 PolarHBondContact O-N 3.26Å; H391-G393 PolarHBondContact O-N 3.31Å; G393-Q395 PolarHBondContact O-N 2.94Å
394	S	72.6	Confident	78.4	Confident	45 Å²	45	72 Å²	72	32%	0.315	38%	0.382	S	S	.	.			trans	-62.3	137.8	-170.8	55.6	0	0	0	0	111.1	V389 T392 P396	V389-S394 WeakPolarHBondContact CG1-O 3.33Å; T392-S394 PolarHBondContact O-N 3.21Å; T392-S394 WeakPolarHBondContact OG1-CB 3.17Å; T392-S394 PolarHBondContact OG1-N 3.27Å; T392-S394 PolarHBondContact OG1-OG 2.92Å; S394-P396 WeakPolarHBondContact O-CD 3.45Å
395	Q	75.3	Confident	78.5	Confident	107 Å²	107	72.9 Å²	72.9	50%	0.5	39%	0.391	S	S	.	.			trans	-114.8	74.2	172.7	-67.2	-173.5	-23.8	0	0	108.4	G393 Y397 S405 F406 K407	G393-Q395 PolarHBondContact O-N 2.94Å; Q395-Y397 PolarHBondContact O-N 3.37Å; Q395-S405 VanDerWaalsContact OE1-CB 3.24Å; Q395-S405 PolarHBondContact OE1-O 3.14Å; Q395-S405 VanDerWaalsContact OE1-O 3.07Å; Q395-F406 CarbonylContact C-O 3.47Å; Q395-F406 WeakPolarHBondContact CA-O 3.19Å; Q395-K407 HydrophobicContact CG-CB 4.48Å
396	P	74.5	Confident	78.5	Confident	67 Å²	67	69.9 Å²	69.9	44%	0.435	38%	0.377	S	S	.	.			trans	-69.3	-9.1	-167.5	27.7	-35	0	0	0	113.5	S394	S394-P396 WeakPolarHBondContact O-CD 3.45Å
397	Y	75.3	Confident	78.3	Confident	72 Å²	72	66.5 Å²	66.5	28%	0.282	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	94.1	-178.3	-54.4	-75.2	0	0	0	110	Q395 S405 F406 H409 F412	Q395-Y397 PolarHBondContact O-N 3.37Å; Y397-S405 CarbonylContact O-C 3.55Å; Y397-S405 WeakPolarHBondContact O-CA 3.49Å; Y397-F406 PolarHBondContact N-O 3.3Å; Y397-F406 PolarHBondContact O-N 3.13Å; Y397-H409 HydrophobicContact CD1-CB 4.38Å; Y397-H409 AromaticContact CD1-CD2 3.91Å; Y397-H409 HydrophobicContact CD2-CB 4.39Å; Y397-H409 HydrophobicContact CE1-CB 3.96Å; Y397-H409 AromaticContact CE1-CD2 3.67Å; Y397-H409 HydrophobicContact CE2-CB 3.99Å; Y397-F412 HydrophobicContact CG-CB 4.39Å
398	Q	81.4	Confident	78.1	Confident	121 Å²	121	69.8 Å²	69.8	57%	0.565	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.3	177.3	-170.8	174.1	15.5	0	0	111.6	V400 G403 S405 F412	Q398-V400 PolarHBondContact O-N 2.78Å; Q398-G403 PolarHBondContact NE2-O 3.32Å; Q398-S405 WeakPolarHBondContact CG-OG 3.46Å; Q398-F412 WeakPolarHBondContact O-CE2 3.48Å
399	C	82	Confident	77.9	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.007	38%	0.383	C	S	.	.			trans	-73.7	117.7	170.8	-173.9	0	0	0	0	109.8	I401 G403 K404 F412 H415 H419	C399-I401 PolarHBondContact O-N 3.25Å; C399-I401 PolarHBondContact SG-N 3.35Å; C399-G403 WeakPolarHBondContact O-CA 3.38Å; C399-G403 PolarHBondContact O-N 3.39Å; C399-K404 WeakPolarHBondContact CB-O 3.45Å; C399-K404 PolarHBondContact N-O 3.32Å; C399-F412 HydrophobicContact CB-CE2 4.31Å; C399-H415 WeakPolarHBondContact CB-NE2 3.47Å; C399-H415 PolarHBondContact SG-NE2 3.17Å; C399-H415 VanDerWaalsContact SG-NE2 3.43Å; C399-H419 VanDerWaalsContact SG-CD2 3.56Å; C399-H419 PolarHBondContact SG-NE2 3.18Å; C399-H419 VanDerWaalsContact SG-NE2 3.38Å
400	V	78.6	Confident	77.8	Confident	133 Å²	133	75.3 Å²	75.3	81%	0.806	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22	175.8	-62.5	0	0	0	0	113.1	Q398	Q398-V400 PolarHBondContact O-N 2.78Å
401	I	78.8	Confident	77.9	Confident	95 Å²	95	73.4 Å²	73.4	49%	0.487	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-44.4	-177	-58.9	175.7	0	0	0	111.2	C399 H419 I423	C399-I401 PolarHBondContact O-N 3.25Å; C399-I401 PolarHBondContact SG-N 3.35Å; I401-H419 HydrophobicContact CD1-CB 3.53Å; I401-H419 HydrophobicContact CG2-CB 4.36Å; I401-I423 HydrophobicContact CD1-CD1 4.36Å
402	C	83.8	Confident	78.1	Confident	54 Å²	54	70.7 Å²	70.7	37%	0.365	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	12.3	-175.3	78.9	0	0	0	0	114.3	K404 H415 H419	C402-K404 PolarHBondContact O-N 3.28Å; C402-H415 PolarHBondContact SG-CE1 3.23Å; C402-H415 PolarHBondContact SG-NE2 3.28Å; C402-H419 PolarHBondContact SG-NE2 3.23Å; C402-H419 VanDerWaalsContact SG-NE2 3.45Å
403	G	79.6	Confident	78.3	Confident	39 Å²	39	70.7 Å²	70.7	40%	0.402	39%	0.388	S	S	.	.			trans	69.7	-5.2	176.4	0	0	0	0	0	116.3	Q398 C399 S405	Q398-G403 PolarHBondContact NE2-O 3.32Å; C399-G403 WeakPolarHBondContact O-CA 3.38Å; C399-G403 PolarHBondContact O-N 3.39Å; G403-S405 PolarHBondContact O-N 3.36Å
404	K	82.3	Confident	78.8	Confident	126 Å²	126	76.6 Å²	76.6	55%	0.548	40%	0.401	S	S	.	.			trans	-67.7	128.6	-176.1	-73	-178.2	-176.2	179.4	0	111.3	C399 C402 F406	C399-K404 WeakPolarHBondContact CB-O 3.45Å; C399-K404 PolarHBondContact N-O 3.32Å; C402-K404 PolarHBondContact O-N 3.28Å; K404-F406 HydrophobicContact CB-CE2 3.69Å; K404-F406 HydrophobicContact CB-CZ 3.91Å; K404-F406 WeakPolarHBondContact O-CD2 3.32Å; K404-F406 VanDerWaalsContact O-CE2 3.28Å; K404-F406 WeakPolarHBondContact O-CE2 3.04Å
405	S	82	Confident	79.2	Confident	38 Å²	38	75.6 Å²	75.6	27%	0.266	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142	178.3	-62.4	0	0	0	0	111.4	Q395 Y397 Q398 G403	Q395-S405 VanDerWaalsContact OE1-CB 3.24Å; Q395-S405 PolarHBondContact OE1-O 3.14Å; Q395-S405 VanDerWaalsContact OE1-O 3.07Å; Y397-S405 CarbonylContact O-C 3.55Å; Y397-S405 WeakPolarHBondContact O-CA 3.49Å; Q398-S405 WeakPolarHBondContact CG-OG 3.46Å; G403-S405 PolarHBondContact O-N 3.36Å
406	F	78.2	Confident	79.3	Confident	40 Å²	40	73.5 Å²	73.5	18%	0.175	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.9	-175.8	-62.5	-92.4	0	0	0	110.7	Q395 Y397 K404 W408 F412 H415	Q395-F406 CarbonylContact C-O 3.47Å; Q395-F406 WeakPolarHBondContact CA-O 3.19Å; Y397-F406 PolarHBondContact N-O 3.3Å; Y397-F406 PolarHBondContact O-N 3.13Å; K404-F406 HydrophobicContact CB-CE2 3.69Å; K404-F406 HydrophobicContact CB-CZ 3.91Å; K404-F406 WeakPolarHBondContact O-CD2 3.32Å; K404-F406 VanDerWaalsContact O-CE2 3.28Å; K404-F406 WeakPolarHBondContact O-CE2 3.04Å; F406-W408 VanDerWaalsContact C-N 3.35Å; F406-F412 HydrophobicContact CB-CB 4.04Å; F406-F412 HydrophobicContact CD2-CB 4.19Å; F406-F412 AromaticContact CD2-CD2 3.89Å; F406-F412 HydrophobicContact CD2-CD2 3.89Å; F406-F412 HydrophobicContact CE2-CD2 4.46Å; F406-F412 HydrophobicContact CG-CB 4.19Å; F406-H415 HydrophobicContact CE1-CB 3.83Å; F406-H415 HydrophobicContact CE2-CB 3.87Å; F406-H415 AromaticContact CE2-CD2 3.15Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.47Å; F406-H415 AromaticContact CE2-CG 3.5Å; F406-H415 AromaticContact CE2-NE2 3.8Å; F406-H415 HydrophobicContact CZ-CB 3.38Å; F406-H415 AromaticContact CZ-CD2 3.31Å; F406-H415 WeakPolarHBondContact CZ-CD2 3.46Å; F406-H415 AromaticContact CZ-CG 3.12Å; F406-H415 AromaticContact CZ-ND1 3.66Å; F406-H415 AromaticContact CZ-NE2 3.89Å
407	K	74.9	Confident	79.4	Confident	66 Å²	66	72.2 Å²	72.2	29%	0.287	38%	0.38	S	S	.	.	S	Bend	trans	-68.5	-34.2	174.4	-162.5	171	-170.1	161.6	0	112.3	V389 Q395	V389-K407 HydrophobicContact CG1-CD 4.25Å; V389-K407 HydrophobicContact CG1-CG 3.41Å; V389-K407 VanDerWaalsContact CG1-CG 3.41Å; V389-K407 WeakPolarHBondContact O-CE 3.48Å; Q395-K407 HydrophobicContact CG-CB 4.48Å
408	W	76.9	Confident	79.6	Confident	88 Å²	88	73.2 Å²	73.2	33%	0.333	39%	0.394	S	S	.	.	S	Bend	trans	-121.8	137	-174	-49.6	128.1	0	0	0	112.6	R386 V389 I390 F406 T410 S411 F412	R386-W408 HydrophobicContact CB-CZ3 4.29Å; R386-W408 HydrophobicContact CG-CE3 3.89Å; R386-W408 HydrophobicContact CG-CH2 3.66Å; R386-W408 HydrophobicContact CG-CZ3 3.21Å; R386-W408 WeakPolarHBondContact O-CH2 3.49Å; R386-W408 WeakPolarHBondContact O-CZ3 3.43Å; V389-W408 HydrophobicContact CB-CZ3 4.21Å; V389-W408 HydrophobicContact CG1-CH2 4.36Å; V389-W408 HydrophobicContact CG1-CZ3 3.91Å; I390-W408 HydrophobicContact CG1-CH2 4.17Å; F406-W408 VanDerWaalsContact C-N 3.35Å; W408-T410 VanDerWaalsContact C-N 3.26Å; W408-T410 PolarHBondContact O-N 3.29Å; W408-S411 PolarHBondContact O-N 3.14Å; W408-F412 PolarHBondContact O-N 3.44Å
409	H	74.4	Confident	79.2	Confident	94 Å²	94	68.1 Å²	68.1	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-58.6	-35.7	176.4	-175.8	-95.1	0	0	0	112.7	Y397 F412 I413	Y397-H409 HydrophobicContact CD1-CB 4.38Å; Y397-H409 AromaticContact CD1-CD2 3.91Å; Y397-H409 HydrophobicContact CD2-CB 4.39Å; Y397-H409 HydrophobicContact CE1-CB 3.96Å; Y397-H409 AromaticContact CE1-CD2 3.67Å; Y397-H409 HydrophobicContact CE2-CB 3.99Å; H409-F412 WeakPolarHBondContact O-CB 3.49Å; H409-F412 PolarHBondContact O-N 3.25Å; H409-I413 WeakPolarHBondContact CE1-CG1 3.38Å; H409-I413 VanDerWaalsContact O-CG1 3.31Å; H409-I413 WeakPolarHBondContact O-CG1 3.36Å; H409-I413 PolarHBondContact O-N 3.47Å
410	T	78.9	Confident	78.2	Confident	97 Å²	97	76.6 Å²	76.6	60%	0.595	41%	0.407	S	S	*	.	H	α-helix	trans	-64.3	-41.5	177.7	46.4	0	0	0	0	112.4	W408 K414	W408-T410 VanDerWaalsContact C-N 3.26Å; W408-T410 PolarHBondContact O-N 3.29Å; T410-K414 WeakPolarHBondContact O-CG 3.44Å; T410-K414 PolarHBondContact O-N 2.87Å; T410-K414 VanDerWaalsContact O-N 3.13Å
411	S	81.9	Confident	77.1	Confident	49 Å²	49	73.6 Å²	73.6	34%	0.343	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-40.4	174.7	-55.1	0	0	0	0	111.2	W408 K414 H415	W408-S411 PolarHBondContact O-N 3.14Å; S411-K414 PolarHBondContact O-N 2.7Å; S411-H415 WeakPolarHBondContact O-CB 3.42Å; S411-H415 PolarHBondContact O-N 3.3Å
412	F	82.2	Confident	75.8	Confident	24 Å²	24	76.3 Å²	76.3	11%	0.105	41%	0.413	C	S	.	.	H	α-helix	trans	-60.4	-47.4	174.4	172.8	-108.4	0	0	0	112.7	Y397 Q398 C399 F406 W408 H409 K414 H415 Q416	Y397-F412 HydrophobicContact CG-CB 4.39Å; Q398-F412 WeakPolarHBondContact O-CE2 3.48Å; C399-F412 HydrophobicContact CB-CE2 4.31Å; F406-F412 HydrophobicContact CB-CB 4.04Å; F406-F412 HydrophobicContact CD2-CB 4.19Å; F406-F412 AromaticContact CD2-CD2 3.89Å; F406-F412 HydrophobicContact CD2-CD2 3.89Å; F406-F412 HydrophobicContact CE2-CD2 4.46Å; F406-F412 HydrophobicContact CG-CB 4.19Å; W408-F412 PolarHBondContact O-N 3.44Å; H409-F412 WeakPolarHBondContact O-CB 3.49Å; H409-F412 PolarHBondContact O-N 3.25Å; F412-K414 PolarHBondContact O-N 3.06Å; F412-H415 CarbonylContact O-C 3.54Å; F412-H415 WeakPolarHBondContact O-CB 3.13Å; F412-H415 PolarHBondContact O-N 3.23Å; F412-Q416 HydrophobicContact CD1-CG 4.42Å; F412-Q416 HydrophobicContact CD2-CG 4.28Å; F412-Q416 HydrophobicContact CE1-CG 4.02Å; F412-Q416 HydrophobicContact CE2-CG 3.86Å; F412-Q416 HydrophobicContact CZ-CG 3.75Å; F412-Q416 WeakPolarHBondContact O-CG 3.32Å; F412-Q416 PolarHBondContact O-N 3.01Å
413	I	79.2	Confident	74.2	Confident	82 Å²	82	79.9 Å²	79.9	42%	0.421	43%	0.427	S	S	.	.	H	α-helix	trans	-64.4	-41	178.8	-67.2	-62	0	0	0	111.5	H409 H415 Q416 G417	H409-I413 WeakPolarHBondContact CE1-CG1 3.38Å; H409-I413 VanDerWaalsContact O-CG1 3.31Å; H409-I413 WeakPolarHBondContact O-CG1 3.36Å; H409-I413 PolarHBondContact O-N 3.47Å; I413-H415 VanDerWaalsContact C-N 3.3Å; I413-H415 PolarHBondContact O-N 2.72Å; I413-Q416 PolarHBondContact O-N 3.49Å; I413-G417 PolarHBondContact O-N 3.29Å
414	K	81.5	Confident	72.2	Confident	170 Å²	170	83 Å²	83	74%	0.739	44%	0.443	S	S	*	.	H	α-helix	trans	-60.2	-43.2	173.8	-76	-176.9	178.6	-172.3	0	111.4	T410 S411 F412 G417	T410-K414 WeakPolarHBondContact O-CG 3.44Å; T410-K414 PolarHBondContact O-N 2.87Å; T410-K414 VanDerWaalsContact O-N 3.13Å; S411-K414 PolarHBondContact O-N 2.7Å; F412-K414 PolarHBondContact O-N 3.06Å; K414-G417 PolarHBondContact O-N 2.96Å
415	H	81.8	Confident	69.9	Low	24 Å²	24	87 Å²	87	11%	0.111	48%	0.479	C	S	.	.	H	α-helix	trans	-67	-41.6	176.4	171.3	68.3	0	0	0	112.8	C399 C402 F406 S411 F412 I413 G417 T418 H419	C399-H415 WeakPolarHBondContact CB-NE2 3.47Å; C399-H415 PolarHBondContact SG-NE2 3.17Å; C399-H415 VanDerWaalsContact SG-NE2 3.43Å; C402-H415 PolarHBondContact SG-CE1 3.23Å; C402-H415 PolarHBondContact SG-NE2 3.28Å; F406-H415 HydrophobicContact CE1-CB 3.83Å; F406-H415 HydrophobicContact CE2-CB 3.87Å; F406-H415 AromaticContact CE2-CD2 3.15Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.47Å; F406-H415 AromaticContact CE2-CG 3.5Å; F406-H415 AromaticContact CE2-NE2 3.8Å; F406-H415 HydrophobicContact CZ-CB 3.38Å; F406-H415 AromaticContact CZ-CD2 3.31Å; F406-H415 WeakPolarHBondContact CZ-CD2 3.46Å; F406-H415 AromaticContact CZ-CG 3.12Å; F406-H415 AromaticContact CZ-ND1 3.66Å; F406-H415 AromaticContact CZ-NE2 3.89Å; S411-H415 WeakPolarHBondContact O-CB 3.42Å; S411-H415 PolarHBondContact O-N 3.3Å; F412-H415 CarbonylContact O-C 3.54Å; F412-H415 WeakPolarHBondContact O-CB 3.13Å; F412-H415 PolarHBondContact O-N 3.23Å; I413-H415 VanDerWaalsContact C-N 3.3Å; I413-H415 PolarHBondContact O-N 2.72Å; H415-G417 PolarHBondContact O-N 2.98Å; H415-T418 PolarHBondContact O-N 3.33Å; H415-T418 PolarHBondContact O-OG1 2.86Å; H415-H419 AromaticContact CD2-NE2 3.91Å; H415-H419 AromaticContact CE1-CE1 3.91Å; H415-H419 AromaticContact CE1-NE2 3.2Å; H415-H419 PolarHBondContact CE1-NE2 3.49Å; H415-H419 AromaticContact NE2-CD2 3.82Å; H415-H419 AromaticContact NE2-NE2 3.04Å; H415-H419 PolarHBondContact NE2-NE2 3.31Å
416	Q	76.6	Confident	69.3	Low	63 Å²	63	89.5 Å²	89.5	29%	0.294	49%	0.489	S	S	.	.	H	α-helix	trans	-59.9	-31.4	172.9	-77	-168.9	-48.7	0	0	112.1	F412 I413 T418 H419	F412-Q416 HydrophobicContact CD1-CG 4.42Å; F412-Q416 HydrophobicContact CD2-CG 4.28Å; F412-Q416 HydrophobicContact CE1-CG 4.02Å; F412-Q416 HydrophobicContact CE2-CG 3.86Å; F412-Q416 HydrophobicContact CZ-CG 3.75Å; F412-Q416 WeakPolarHBondContact O-CG 3.32Å; F412-Q416 PolarHBondContact O-N 3.01Å; I413-Q416 PolarHBondContact O-N 3.49Å; Q416-T418 PolarHBondContact O-N 3.35Å; Q416-H419 PolarHBondContact O-N 3.38Å
417	G	77.1	Confident	68.8	Low	41 Å²	41	92.1 Å²	92.1	42%	0.423	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-27.1	172.7	0	0	0	0	0	114.2	I413 K414 H415 H419	I413-G417 PolarHBondContact O-N 3.29Å; K414-G417 PolarHBondContact O-N 2.96Å; H415-G417 PolarHBondContact O-N 2.98Å; G417-H419 VanDerWaalsContact C-N 3.32Å
418	T	79.9	Confident	68.5	Low	92 Å²	92	93.6 Å²	93.6	56%	0.564	52%	0.518	S	S	*	.	H	α-helix	trans	-75.4	-22.3	178.6	68	0	0	0	0	112.7	H415 Q416	H415-T418 PolarHBondContact O-N 3.33Å; H415-T418 PolarHBondContact O-OG1 2.86Å; Q416-T418 PolarHBondContact O-N 3.35Å
419	H	72.9	Confident	68	Low	15 Å²	15	93.9 Å²	93.9	7%	0.069	53%	0.529	C	S	.	.	H	α-helix	trans	-85.5	-16.8	178	-62	-57.5	0	0	0	113.3	C399 I401 C402 H415 Q416 G417 G421 Q422	C399-H419 VanDerWaalsContact SG-CD2 3.56Å; C399-H419 PolarHBondContact SG-NE2 3.18Å; C399-H419 VanDerWaalsContact SG-NE2 3.38Å; I401-H419 HydrophobicContact CD1-CB 3.53Å; I401-H419 HydrophobicContact CG2-CB 4.36Å; C402-H419 PolarHBondContact SG-NE2 3.23Å; C402-H419 VanDerWaalsContact SG-NE2 3.45Å; H415-H419 AromaticContact CD2-NE2 3.91Å; H415-H419 AromaticContact CE1-CE1 3.91Å; H415-H419 AromaticContact CE1-NE2 3.2Å; H415-H419 PolarHBondContact CE1-NE2 3.49Å; H415-H419 AromaticContact NE2-CD2 3.82Å; H415-H419 AromaticContact NE2-NE2 3.04Å; H415-H419 PolarHBondContact NE2-NE2 3.31Å; Q416-H419 PolarHBondContact O-N 3.38Å; G417-H419 VanDerWaalsContact C-N 3.32Å; H419-G421 PolarHBondContact O-N 2.89Å; H419-G421 VanDerWaalsContact O-N 3.12Å; H419-Q422 PolarHBondContact O-N 3.31Å
420	K	61.5	Low	67.6	Low	179 Å²	179	93.9 Å²	93.9	78%	0.778	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.1	177.8	-73.8	-169	173.6	-168.5	0	114.2
421	G	55.1	Low	66.9	Low	69 Å²	69	93.7 Å²	93.7	71%	0.711	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2	170.9	0	0	0	0	0	114.8	H419	H419-G421 PolarHBondContact O-N 2.89Å; H419-G421 VanDerWaalsContact O-N 3.12Å
422	Q	52	Low	65.8	Low	153 Å²	153	96.9 Å²	96.9	72%	0.715	54%	0.544	S	S	*	.	S	Bend	trans	-115.6	3.5	-176.4	-71.6	-173.6	-30.8	0	0	113.8	H419	H419-Q422 PolarHBondContact O-N 3.31Å
423	I	49.3	Very low	64.5	Low	128 Å²	128	102.5 Å²	102.5	66%	0.656	58%	0.578	S	S	*	*			trans	-106.2	68.4	171.7	-48.5	175.5	0	0	0	107.9	I401	I401-I423 HydrophobicContact CD1-CD1 4.36Å
424	S	37.8	Very low	63.3	Low	105 Å²	105	104.2 Å²	104.2	73%	0.734	59%	0.591	S	S	*	*			trans	-134.4	84.5	159.9	-58.9	0	0	0	0	105.9
425	T	34.2	Very low	61.6	Low	211 Å²	211	98.2 Å²	98.2	100%	1.294	58%	0.577	S	S	*	*			trans	-164.9	0	156.8	13.5	0	0	0	0	108.5

Retrieved 425 of 425 residues in 504.2 ms (Link to these results)

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