A0A096NSM5_PAPAN Loading...

Serine/threonine-protein kinase receptor

On ligand binding, forms a receptor complex consisting of two type II and two type I transmembrane serine/threonine kinases. Type II receptors phosphorylate and activate type I receptors which autophosphorylate, then bind and activate SMAD transcriptional regulators. Receptor for activin A, activin B and inhibin A. Mediates induction of adipogenesis by GDF6.

AlphaFold DB (A0A7N9IF81), UniProt , Accession A0A096NSM5, Species PAPAN (Papio anubis, Olive baboon), Gene ACVR2A, Length 521 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.6	Very low	49.8	Very low	200 Å²	200	98 Å²	98	99%	0.985	60%	0.602	S	S	*	*				0	113.4	0	-73.7	166.8	67.4	0	0	108.6
2	G	55.5	Low	49.3	Very low	51 Å²	51	101.4 Å²	101.4	53%	0.526	60%	0.603	S	S	.	*			trans	-69.7	160.8	-171.2	0	0	0	0	0	113.6	A4 A5 K6	G2-A4 PolarHBondContact O-N 3.07Å; G2-A4 VanDerWaalsContact O-N 3.09Å; G2-A5 WeakPolarHBondContact O-CB 3.47Å; G2-A5 PolarHBondContact O-N 3.09Å; G2-K6 PolarHBondContact O-N 3.49Å
3	A	49	Very low	48.8	Very low	85 Å²	85	101.5 Å²	101.5	70%	0.702	60%	0.598	S	S	*	*	H	α-helix	trans	-54.3	-29.3	-179.1	0	0	0	0	0	113.4	K6 L7	A3-K6 PolarHBondContact O-N 3.31Å; A3-L7 PolarHBondContact O-N 3.37Å
4	A	47.8	Very low	48.4	Very low	81 Å²	81	102.8 Å²	102.8	67%	0.669	60%	0.599	S	S	*	*	H	α-helix	trans	-66	-33.7	173.4	0	0	0	0	0	113.6	G2 L7 A8	G2-A4 PolarHBondContact O-N 3.07Å; G2-A4 VanDerWaalsContact O-N 3.09Å; A4-L7 PolarHBondContact O-N 3Å; A4-A8 WeakPolarHBondContact O-CB 3.2Å; A4-A8 PolarHBondContact O-N 3.01Å
5	A	48.1	Very low	47.8	Very low	44 Å²	44	101.5 Å²	101.5	36%	0.364	60%	0.598	S	S	.	*	H	α-helix	trans	-74.7	-28.3	177.7	0	0	0	0	0	112.2	G2 F9	G2-A5 WeakPolarHBondContact O-CB 3.47Å; G2-A5 PolarHBondContact O-N 3.09Å; A5-F9 PolarHBondContact O-N 3.04Å; A5-F9 VanDerWaalsContact O-N 3.15Å
6	K	49.7	Very low	47.1	Very low	151 Å²	151	100.5 Å²	100.5	66%	0.657	60%	0.597	S	S	*	*	H	α-helix	trans	-74.1	-35.1	173.8	-68.6	-174.3	177.4	-175.7	0	112	G2 A3 A10	G2-K6 PolarHBondContact O-N 3.49Å; A3-K6 PolarHBondContact O-N 3.31Å; K6-A10 WeakPolarHBondContact O-CB 3.3Å; K6-A10 PolarHBondContact O-N 3.02Å; K6-A10 VanDerWaalsContact O-N 3.08Å
7	L	49.5	Very low	46.6	Very low	126 Å²	126	99.1 Å²	99.1	66%	0.66	59%	0.593	S	S	*	*	H	α-helix	trans	-70.7	-40.1	175.3	-153.6	79.6	0	0	0	111.5	A3 A4 A10 V11	A3-L7 PolarHBondContact O-N 3.37Å; A4-L7 PolarHBondContact O-N 3Å; L7-A10 PolarHBondContact O-N 2.82Å; L7-V11 VanDerWaalsContact O-CG2 3.32Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.17Å
8	A	50.2	Low	46.1	Very low	63 Å²	63	99.8 Å²	99.8	52%	0.521	60%	0.604	S	S	.	*	H	α-helix	trans	-64.2	-39.1	175	0	0	0	0	0	112.4	A4 F12	A4-A8 WeakPolarHBondContact O-CB 3.2Å; A4-A8 PolarHBondContact O-N 3.01Å; A8-F12 WeakPolarHBondContact O-CB 3.48Å; A8-F12 PolarHBondContact O-N 3.4Å
9	F	50.6	Low	45.7	Very low	139 Å²	139	98.9 Å²	98.9	61%	0.61	62%	0.617	S	S	*	*	H	α-helix	trans	-70.9	-33.4	176.5	-132.9	-93.3	0	0	0	112.8	A5 L13	A5-F9 PolarHBondContact O-N 3.04Å; A5-F9 VanDerWaalsContact O-N 3.15Å; F9-L13 HydrophobicContact CD1-CD1 3.95Å; F9-L13 HydrophobicContact CD1-CG 4.41Å; F9-L13 HydrophobicContact CE1-CD1 4.4Å; F9-L13 WeakPolarHBondContact O-CB 3.17Å; F9-L13 WeakPolarHBondContact O-CG 3.3Å; F9-L13 PolarHBondContact O-N 2.77Å
10	A	49.2	Very low	45.4	Very low	44 Å²	44	97.8 Å²	97.8	36%	0.364	62%	0.617	S	S	.	*	H	α-helix	trans	-69.9	-39.3	174.5	0	0	0	0	0	112.2	K6 L7 I14	K6-A10 WeakPolarHBondContact O-CB 3.3Å; K6-A10 PolarHBondContact O-N 3.02Å; K6-A10 VanDerWaalsContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 2.82Å; A10-I14 WeakPolarHBondContact O-CB 3.22Å; A10-I14 WeakPolarHBondContact O-CD1 3.47Å; A10-I14 WeakPolarHBondContact O-CG1 3.39Å; A10-I14 PolarHBondContact O-N 2.95Å
11	V	50.2	Low	45.1	Very low	94 Å²	94	100.9 Å²	100.9	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-70.8	-34	175.1	175.5	0	0	0	0	111.3	L7 I14 S15	L7-V11 VanDerWaalsContact O-CG2 3.32Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.17Å; V11-I14 PolarHBondContact O-N 2.87Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.06Å
12	F	43.8	Very low	44.4	Very low	139 Å²	139	99.7 Å²	99.7	61%	0.61	63%	0.625	S	S	*	*	H	α-helix	trans	-69.6	-39	175.3	-153.8	-98.3	0	0	0	112.3	A8 S15 C16	A8-F12 WeakPolarHBondContact O-CB 3.48Å; A8-F12 PolarHBondContact O-N 3.4Å; F12-S15 PolarHBondContact O-N 2.81Å; F12-C16 WeakPolarHBondContact O-CB 3.46Å; F12-C16 PolarHBondContact O-N 3.36Å; F12-C16 PolarHBondContact O-SG 3.22Å
13	L	42.7	Very low	43.6	Very low	102 Å²	102	101.1 Å²	101.1	53%	0.534	64%	0.639	S	S	.	*	H	α-helix	trans	-69.2	-32	173.7	-77	166.5	0	0	0	112.8	F9 S17	F9-L13 HydrophobicContact CD1-CD1 3.95Å; F9-L13 HydrophobicContact CD1-CG 4.41Å; F9-L13 HydrophobicContact CE1-CD1 4.4Å; F9-L13 WeakPolarHBondContact O-CB 3.17Å; F9-L13 WeakPolarHBondContact O-CG 3.3Å; F9-L13 PolarHBondContact O-N 2.77Å; L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 2.87Å; L13-S17 PolarHBondContact O-OG 3.04Å
14	I	42.3	Very low	43.3	Very low	120 Å²	120	106 Å²	106	62%	0.615	64%	0.639	S	S	*	*	H	α-helix	trans	-76.7	-34.5	175.6	-65.3	165.3	0	0	0	111.4	A10 V11 S18	A10-I14 WeakPolarHBondContact O-CB 3.22Å; A10-I14 WeakPolarHBondContact O-CD1 3.47Å; A10-I14 WeakPolarHBondContact O-CG1 3.39Å; A10-I14 PolarHBondContact O-N 2.95Å; V11-I14 PolarHBondContact O-N 2.87Å; I14-S18 PolarHBondContact O-OG 3.14Å
15	S	39.2	Very low	43	Very low	84 Å²	84	105.7 Å²	105.7	59%	0.587	63%	0.632	S	S	*	*	H	α-helix	trans	-78.1	-18.6	176.4	93.6	0	0	0	0	114	V11 F12	V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.06Å; F12-S15 PolarHBondContact O-N 2.81Å
16	C	37.9	Very low	43.5	Very low	85 Å²	85	111.5 Å²	111.5	57%	0.574	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	14.9	174.9	-66.1	0	0	0	0	113.6	F12	F12-C16 WeakPolarHBondContact O-CB 3.46Å; F12-C16 PolarHBondContact O-N 3.36Å; F12-C16 PolarHBondContact O-SG 3.22Å
17	S	37.6	Very low	43.8	Very low	77 Å²	77	108.8 Å²	108.8	54%	0.538	65%	0.648	S	S	.	*	S	Bend	trans	-130.6	5.2	177.6	-60.8	0	0	0	0	115.1	L13 G19	L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 2.87Å; L13-S17 PolarHBondContact O-OG 3.04Å; S17-G19 PolarHBondContact O-N 3.4Å
18	S	37.7	Very low	44.8	Very low	112 Å²	112	103.8 Å²	103.8	78%	0.783	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	21	174.2	-55.9	0	0	0	0	114.2	I14	I14-S18 PolarHBondContact O-OG 3.14Å
19	G	39.2	Very low	46.6	Very low	83 Å²	83	105.3 Å²	105.3	86%	0.856	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	11.6	177.3	0	0	0	0	0	114.4	S17	S17-G19 PolarHBondContact O-N 3.4Å
20	A	38.5	Very low	48.5	Very low	75 Å²	75	98.7 Å²	98.7	62%	0.62	59%	0.589	S	S	*	*	S	Bend	trans	-143	131.9	176.4	0	0	0	0	0	111.1
21	I	40	Very low	50.5	Low	164 Å²	164	98.5 Å²	98.5	84%	0.841	58%	0.581	S	S	*	*			trans	87.2	69.7	168.8	-39.7	170.2	0	0	0	114.9
22	L	33.4	Very low	52.5	Low	175 Å²	175	95.6 Å²	95.6	92%	0.916	56%	0.561	S	S	*	*	S	Bend		-130.2	118.5	124	-102.2	132.5	0	0	0	106.2	R24	L22-R24 PolarHBondContact O-N 2.83Å
23	G	38.5	Very low	54.8	Low	80 Å²	80	90.7 Å²	90.7	83%	0.825	54%	0.54	S	S	*	.			trans	-52.6	110.6	-165.5	0	0	0	0	0	113.2	S25	G23-S25 PolarHBondContact O-N 3.23Å
24	R	43.1	Very low	57	Low	187 Å²	187	86.2 Å²	86.2	71%	0.706	52%	0.516	S	S	*	.			trans	-76	103.4	164	-118.5	177.5	178.2	179	-2.5	106.7	L22 E26	L22-R24 PolarHBondContact O-N 2.83Å; R24-E26 PolarHBondContact O-N 2.78Å
25	S	42.5	Very low	59.1	Low	75 Å²	75	82.8 Å²	82.8	52%	0.524	51%	0.505	S	S	.	.			trans	-58	109.5	169.6	-178.8	0	0	0	0	108	G23 T27 N108	G23-S25 PolarHBondContact O-N 3.23Å; S25-T27 PolarHBondContact O-N 3.34Å; S25-N108 PolarHBondContact OG-ND2 3.47Å
26	E	57.3	Low	61.4	Low	167 Å²	167	83.5 Å²	83.5	78%	0.78	50%	0.503	S	S	*	.	S	Bend	trans	-73.9	-2.2	-168.9	-91.8	-175.5	150.8	0	0	114.9	R24 R58	R24-E26 PolarHBondContact O-N 2.78Å; E26-R58 PolarHBondContact O-NH1 3.49Å; E26-R58 PolarHBondContact O-NH2 3.01Å
27	T	55.8	Low	63.5	Low	94 Å²	94	83.6 Å²	83.6	58%	0.577	49%	0.491	S	S	*	.			trans	-122.7	128.8	171.2	47.9	0	0	0	0	110	S25 N108	S25-T27 PolarHBondContact O-N 3.34Å; T27-N108 PolarHBondContact O-ND2 2.96Å; T27-N108 PolarHBondContact O-OD1 3.44Å; T27-N108 VanDerWaalsContact O-OD1 3.14Å
28	Q	70.9	Confident	65.5	Low	21 Å²	21	87 Å²	87	10%	0.098	50%	0.499	C	S	.	.			trans	-112.8	114.7	175.2	-158.5	153	-18.9	0	0	109.8	C50 R58 G107 N108	Q28-C50 PolarHBondContact O-N 3.41Å; Q28-R58 HydrophobicContact CB-CB 4.39Å; Q28-R58 PolarHBondContact NE2-O 3.36Å; Q28-R58 PolarHBondContact OE1-O 2.92Å; Q28-R58 VanDerWaalsContact OE1-O 3.1Å; Q28-G107 PolarHBondContact NE2-O 3.21Å; Q28-N108 WeakPolarHBondContact CA-OD1 3.47Å
29	E	88.1	Confident	67.5	Low	95 Å²	95	90.3 Å²	90.3	44%	0.444	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.3	175.8	-68.6	-177.8	165.4	0	0	108.9	V47 E48 N108 M109	E29-V47 HydrophobicContact CB-CG1 3.77Å; E29-V47 HydrophobicContact CG-CG1 4.36Å; E29-E48 WeakPolarHBondContact CA-O 3.1Å; E29-N108 PolarHBondContact N-OD1 3.14Å; E29-M109 HydrophobicContact CB-SD 4.39Å; E29-M109 PolarHBondContact O-N 2.87Å
30	C	91.2	Very high	69.3	Low	0 Å²	0	90.2 Å²	90.2	0%	0	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151	178.4	-62.2	0	0	0	0	110.2	F32 V47 E48 C50 C60	C30-F32 PolarHBondContact O-N 2.94Å; C30-V47 WeakPolarHBondContact O-CA 3.28Å; C30-E48 PolarHBondContact N-O 3.36Å; C30-E48 PolarHBondContact O-N 3.07Å; C30-C50 PolarHBondContact SG-SG 3.39Å; C30-C60 VanDerWaalsContact CA-SG 3.58Å; C30-C60 HydrophobicContact CB-CB 3.69Å; C30-C60 WeakPolarHBondContact CB-SG 3.48Å; C30-C60 WeakPolarHBondContact SG-CA 3.5Å; C30-C60 WeakPolarHBondContact SG-CB 3.35Å; C30-C60 CovalentContact SG-SG 2.02Å; C30-C60 PolarHBondContact SG-SG 2.77Å
31	L	91.6	Very high	71.3	Confident	39 Å²	39	97.9 Å²	97.9	20%	0.204	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.7	169.7	-78.8	161.5	0	0	0	109.7	V47 Q76 G77 M109 N111 E112	L31-V47 HydrophobicContact CD2-CG2 4.16Å; L31-Q76 CarbonylContact O-C 3.58Å; L31-Q76 VanDerWaalsContact O-CB 3.29Å; L31-Q76 WeakPolarHBondContact O-CB 3.48Å; L31-G77 WeakPolarHBondContact O-CA 3.02Å; L31-G77 PolarHBondContact O-N 2.77Å; L31-M109 HydrophobicContact CD1-CE 4.08Å; L31-M109 HydrophobicContact CD2-CE 3.47Å; L31-M109 VanDerWaalsContact CD2-CE 3.47Å; L31-M109 HydrophobicContact CD2-SD 4.5Å; L31-M109 HydrophobicContact CG-CE 3.41Å; L31-M109 VanDerWaalsContact CG-CE 3.41Å; L31-M109 HydrophobicContact CG-SD 4Å; L31-N111 PolarHBondContact N-OD1 3.26Å; L31-N111 PolarHBondContact O-ND2 2.81Å; L31-E112 HydrophobicContact CD1-CB 3.48Å; L31-E112 VanDerWaalsContact CD1-CB 3.48Å; L31-E112 HydrophobicContact CD1-CG 3.81Å
32	F	91.1	Very high	73.2	Confident	33 Å²	33	92.4 Å²	92.4	15%	0.145	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131	175.4	179.5	-104.4	0	0	0	109.5	C30 N34 N43 T45 G46 E48 Q76	C30-F32 PolarHBondContact O-N 2.94Å; F32-N34 HydrophobicContact CE1-CB 4.35Å; F32-N34 HydrophobicContact CZ-CB 4.07Å; F32-N43 WeakPolarHBondContact CE1-O 3.38Å; F32-T45 CarbonylContact O-C 3.56Å; F32-T45 WeakPolarHBondContact O-CA 3.2Å; F32-G46 PolarHBondContact N-O 3.16Å; F32-G46 PolarHBondContact O-N 2.03Å; F32-E48 HydrophobicContact CB-CB 4.28Å; F32-E48 HydrophobicContact CB-CG 4.03Å; F32-E48 HydrophobicContact CD2-CG 4.42Å; F32-E48 VanDerWaalsContact CD2-OE2 3.28Å; F32-E48 WeakPolarHBondContact CD2-OE2 3.49Å; F32-Q76 WeakPolarHBondContact CA-O 3.47Å; F32-Q76 WeakPolarHBondContact CD2-O 3.25Å
33	F	91.7	Very high	75.6	Confident	37 Å²	37	90.1 Å²	90.1	16%	0.162	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	136.6	171.6	-176.8	-88.7	0	0	0	109.1	A35 Q44 T45 I73 K75 Q76	F33-A35 HydrophobicContact CE1-CB 4.05Å; F33-Q44 WeakPolarHBondContact CA-O 3.34Å; F33-Q44 HydrophobicContact CE2-CG 4.38Å; F33-T45 HydrophobicContact CD2-CG2 3.52Å; F33-T45 HydrophobicContact CE2-CG2 3.84Å; F33-I73 HydrophobicContact CB-CG2 4.23Å; F33-I73 HydrophobicContact CD1-CB 3.93Å; F33-I73 HydrophobicContact CD1-CG2 3.44Å; F33-I73 VanDerWaalsContact CD1-CG2 3.44Å; F33-I73 HydrophobicContact CE1-CB 3.93Å; F33-I73 HydrophobicContact CE1-CG2 3.97Å; F33-I73 VanDerWaalsContact CE1-O 3.22Å; F33-I73 WeakPolarHBondContact CE1-O 3.46Å; F33-I73 HydrophobicContact CG-CB 4.48Å; F33-I73 HydrophobicContact CG-CG2 3.9Å; F33-I73 HydrophobicContact CZ-CB 4.49Å; F33-K75 CarbonylContact O-C 3.47Å; F33-K75 VanDerWaalsContact O-CA 3.25Å; F33-K75 WeakPolarHBondContact O-CA 2.94Å; F33-K75 WeakPolarHBondContact O-CG 3.24Å; F33-Q76 HydrophobicContact CB-CB 3.96Å; F33-Q76 HydrophobicContact CB-CG 4.13Å; F33-Q76 PolarHBondContact N-O 3.31Å; F33-Q76 VanDerWaalsContact N-O 3.14Å; F33-Q76 PolarHBondContact O-N 2.91Å
34	N	89.4	Confident	77.9	Confident	8 Å²	8	90.7 Å²	90.7	4%	0.043	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	114	172.3	-172.4	3.3	0	0	0	111	F32 N36 W37 D40 T42 Q44	F32-N34 HydrophobicContact CE1-CB 4.35Å; F32-N34 HydrophobicContact CZ-CB 4.07Å; N34-N36 PolarHBondContact O-N 2.98Å; N34-N36 PolarHBondContact OD1-N 3.06Å; N34-W37 HydrophobicContact CB-CB 4.37Å; N34-W37 WeakPolarHBondContact O-CB 3.22Å; N34-W37 PolarHBondContact O-N 3.01Å; N34-D40 PolarHBondContact ND2-OD2 3.2Å; N34-T42 PolarHBondContact ND2-OG1 3.17Å; N34-Q44 PolarHBondContact N-O 2.87Å
35	A	86.7	Confident	80.2	Confident	47 Å²	47	86.1 Å²	86.1	39%	0.388	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.9	176.3	0	0	0	0	0	113.2	F33 V74	F33-A35 HydrophobicContact CE1-CB 4.05Å; A35-V74 WeakPolarHBondContact CB-O 3.36Å; A35-V74 PolarHBondContact N-O 3.39Å; A35-V74 VanDerWaalsContact N-O 3.17Å
36	N	86.8	Confident	82.4	Confident	100 Å²	100	83.9 Å²	83.9	54%	0.535	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	25.4	-177.3	-67.6	-35.7	0	0	0	113.3	N34 E38 K39 D40	N34-N36 PolarHBondContact O-N 2.98Å; N34-N36 PolarHBondContact OD1-N 3.06Å; N36-E38 VanDerWaalsContact C-N 3.27Å; N36-E38 PolarHBondContact O-N 2.89Å; N36-E38 VanDerWaalsContact O-N 3.12Å; N36-K39 PolarHBondContact O-N 3.03Å; N36-D40 PolarHBondContact O-N 3.07Å
37	W	82.6	Confident	84	Confident	86 Å²	86	79.6 Å²	79.6	33%	0.326	40%	0.403	S	S	.	.	H	α-helix	trans	-54.9	-34.9	-170.4	72.5	-84.8	0	0	0	114.9	N34 D40 R41 T42 Q44	N34-W37 HydrophobicContact CB-CB 4.37Å; N34-W37 WeakPolarHBondContact O-CB 3.22Å; N34-W37 PolarHBondContact O-N 3.01Å; W37-D40 PolarHBondContact O-N 2.82Å; W37-R41 WeakPolarHBondContact O-CA 3.05Å; W37-R41 PolarHBondContact O-N 2.8Å; W37-T42 PolarHBondContact O-N 3.14Å; W37-Q44 HydrophobicContact CB-CB 4.23Å; W37-Q44 VanDerWaalsContact CD1-CG 3.41Å; W37-Q44 HydrophobicContact CD2-CB 3.92Å; W37-Q44 HydrophobicContact CG-CB 3.63Å; W37-Q44 HydrophobicContact CG-CG 3.99Å; W37-Q44 VanDerWaalsContact NE1-CD 3.34Å
38	E	80.1	Confident	85.6	Confident	150 Å²	150	77.8 Å²	77.8	70%	0.701	39%	0.388	S	S	*	.	H	α-helix	trans	-64.9	-39.6	177.1	-66.1	-174.7	160	0	0	112.2	N36	N36-E38 VanDerWaalsContact C-N 3.27Å; N36-E38 PolarHBondContact O-N 2.89Å; N36-E38 VanDerWaalsContact O-N 3.12Å
39	K	79.2	Confident	86.4	Confident	181 Å²	181	79.5 Å²	79.5	79%	0.787	40%	0.401	S	S	*	.	H	α-helix	trans	-74.6	-39.4	178.6	-170.7	-179.9	178.8	-176.6	0	111.1	N36 R41	N36-K39 PolarHBondContact O-N 3.03Å; K39-R41 VanDerWaalsContact C-N 3.32Å
40	D	76.6	Confident	86.2	Confident	81 Å²	81	75.2 Å²	75.2	43%	0.433	38%	0.381	S	S	.	.	H	α-helix	trans	-86.5	-4	-176.7	-62.2	-19.2	0	0	0	112.9	N34 N36 W37 T42	N34-D40 PolarHBondContact ND2-OD2 3.2Å; N36-D40 PolarHBondContact O-N 3.07Å; W37-D40 PolarHBondContact O-N 2.82Å; D40-T42 HydrophobicContact CB-CG2 4.28Å; D40-T42 PolarHBondContact O-N 2.96Å
41	R	80.1	Confident	85.6	Confident	236 Å²	236	84.1 Å²	84.1	89%	0.891	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	40.9	-174.6	-57.8	-177.6	179.2	-177.4	0.2	113	W37 K39	W37-R41 WeakPolarHBondContact O-CA 3.05Å; W37-R41 PolarHBondContact O-N 2.8Å; K39-R41 VanDerWaalsContact C-N 3.32Å
42	T	80.9	Confident	84.4	Confident	49 Å²	49	84.1 Å²	84.1	30%	0.301	43%	0.426	S	S	.	.			trans	-109.5	170.6	178.1	49.6	0	0	0	0	110.6	N34 W37 D40	N34-T42 PolarHBondContact ND2-OG1 3.17Å; W37-T42 PolarHBondContact O-N 3.14Å; D40-T42 HydrophobicContact CB-CG2 4.28Å; D40-T42 PolarHBondContact O-N 2.96Å
43	N	84.6	Confident	83.6	Confident	126 Å²	126	87.3 Å²	87.3	67%	0.674	44%	0.444	S	S	*	.			trans	-69.7	148.8	168.8	-69.9	-30	0	0	0	109.7	F32	F32-N43 WeakPolarHBondContact CE1-O 3.38Å
44	Q	86.1	Confident	82.2	Confident	92 Å²	92	95.6 Å²	95.6	43%	0.43	48%	0.48	S	S	.	.	S	Bend	trans	-72.2	-43	178.8	-173.4	172.3	21.6	0	0	112.4	F33 N34 W37	F33-Q44 WeakPolarHBondContact CA-O 3.34Å; F33-Q44 HydrophobicContact CE2-CG 4.38Å; N34-Q44 PolarHBondContact N-O 2.87Å; W37-Q44 HydrophobicContact CB-CB 4.23Å; W37-Q44 VanDerWaalsContact CD1-CG 3.41Å; W37-Q44 HydrophobicContact CD2-CB 3.92Å; W37-Q44 HydrophobicContact CG-CB 3.63Å; W37-Q44 HydrophobicContact CG-CG 3.99Å; W37-Q44 VanDerWaalsContact NE1-CD 3.34Å
45	T	90.3	Very high	81.4	Confident	91 Å²	91	102.8 Å²	102.8	56%	0.558	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.6	-177.4	51.8	0	0	0	0	109	F32 F33	F32-T45 CarbonylContact O-C 3.56Å; F32-T45 WeakPolarHBondContact O-CA 3.2Å; F33-T45 HydrophobicContact CD2-CG2 3.52Å; F33-T45 HydrophobicContact CE2-CG2 3.84Å
46	G	90.1	Very high	80.9	Confident	29 Å²	29	104.9 Å²	104.9	30%	0.299	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	-167.7	173.1	0	0	0	0	0	112.8	F32	F32-G46 PolarHBondContact N-O 3.16Å; F32-G46 PolarHBondContact O-N 2.03Å
47	V	90.5	Very high	80.6	Confident	76 Å²	76	103.2 Å²	103.2	46%	0.461	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.1	168.5	-179.5	0	0	0	0	106.6	E29 C30 L31 M109	E29-V47 HydrophobicContact CB-CG1 3.77Å; E29-V47 HydrophobicContact CG-CG1 4.36Å; C30-V47 WeakPolarHBondContact O-CA 3.28Å; L31-V47 HydrophobicContact CD2-CG2 4.16Å; V47-M109 HydrophobicContact CG1-CE 4.3Å; V47-M109 HydrophobicContact CG1-SD 3.68Å; V47-M109 HydrophobicContact CG2-CE 3.66Å; V47-M109 HydrophobicContact CG2-SD 4.15Å
48	E	88.4	Confident	80.8	Confident	57 Å²	57	102.2 Å²	102.2	27%	0.266	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134	177.3	67.9	177.6	-174	0	0	111.3	E29 C30 F32 G77 C78	E29-E48 WeakPolarHBondContact CA-O 3.1Å; C30-E48 PolarHBondContact N-O 3.36Å; C30-E48 PolarHBondContact O-N 3.07Å; F32-E48 HydrophobicContact CB-CB 4.28Å; F32-E48 HydrophobicContact CB-CG 4.03Å; F32-E48 HydrophobicContact CD2-CG 4.42Å; F32-E48 VanDerWaalsContact CD2-OE2 3.28Å; F32-E48 WeakPolarHBondContact CD2-OE2 3.49Å; E48-G77 WeakPolarHBondContact OE1-CA 3Å; E48-C78 PolarHBondContact OE1-N 2.98Å
49	P	88.3	Confident	81.3	Confident	56 Å²	56	95 Å²	95	36%	0.364	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	132.7	170.5	29.5	-32	0	0	0	110.6	Y51	P49-Y51 HydrophobicContact CB-CE2 4.36Å; P49-Y51 HydrophobicContact CG-CE2 3.76Å; P49-Y51 WeakPolarHBondContact CG-OH 3.29Å; P49-Y51 VanDerWaalsContact O-CD2 3.31Å; P49-Y51 WeakPolarHBondContact O-CD2 3.25Å; P49-Y51 WeakPolarHBondContact O-CE2 3.5Å; P49-Y51 PolarHBondContact O-N 2.98Å
50	C	83.4	Confident	81.9	Confident	5 Å²	5	86.4 Å²	86.4	3%	0.034	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-82.6	116.7	179.2	-54.3	0	0	0	0	111.8	Q28 C30 R58 C78	Q28-C50 PolarHBondContact O-N 3.41Å; C30-C50 PolarHBondContact SG-SG 3.39Å; C50-R58 HydrophobicContact CB-CB 4.42Å; C50-R58 WeakPolarHBondContact O-CD 3.39Å; C50-C78 WeakPolarHBondContact CA-SG 3.18Å; C50-C78 HydrophobicContact CB-CB 3.78Å; C50-C78 WeakPolarHBondContact CB-SG 3.47Å; C50-C78 WeakPolarHBondContact SG-CB 3.3Å; C50-C78 CovalentContact SG-SG 2.03Å; C50-C78 PolarHBondContact SG-SG 3.3Å
51	Y	78.9	Confident	82.7	Confident	187 Å²	187	83.5 Å²	83.5	73%	0.733	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-97.6	135.1	174.9	-57.5	-77	0	0	0	110.8	P49 L80	P49-Y51 HydrophobicContact CB-CE2 4.36Å; P49-Y51 HydrophobicContact CG-CE2 3.76Å; P49-Y51 WeakPolarHBondContact CG-OH 3.29Å; P49-Y51 VanDerWaalsContact O-CD2 3.31Å; P49-Y51 WeakPolarHBondContact O-CD2 3.25Å; P49-Y51 WeakPolarHBondContact O-CE2 3.5Å; P49-Y51 PolarHBondContact O-N 2.98Å; Y51-L80 WeakPolarHBondContact O-CD1 2.98Å
52	G	67.8	Low	83.3	Confident	40 Å²	40	72.2 Å²	72.2	41%	0.412	37%	0.371	S	S	.	.			trans	-165.5	162.5	177.7	0	0	0	0	0	111.7
53	D	72.4	Confident	83.8	Confident	100 Å²	100	70.9 Å²	70.9	54%	0.535	36%	0.363	S	S	.	.			trans	-59.5	150.1	176.9	-61.2	-46.2	0	0	0	111.1	D55 K56	D53-D55 PolarHBondContact O-N 3.02Å; D53-K56 HydrophobicContact CB-CD 4.18Å; D53-K56 HydrophobicContact CB-CG 4.25Å; D53-K56 PolarHBondContact O-N 3.12Å; D53-K56 WeakPolarHBondContact OD2-CE 3.25Å; D53-K56 IonicContact OD2-NZ 3.88Å; D53-K56 PolarHBondContact OD2-NZ 2.95Å
54	K	63.7	Low	84.1	Confident	211 Å²	211	65.3 Å²	65.3	92%	0.917	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.1	-176.3	-69.1	-173.5	177.7	-176.3	0	114.4
55	D	71.4	Confident	84.3	Confident	159 Å²	159	65 Å²	65	85%	0.85	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-3.7	-177	-58.5	-36	0	0	0	113.7	D53	D53-D55 PolarHBondContact O-N 3.02Å
56	K	76.8	Confident	83.9	Confident	91 Å²	91	64.4 Å²	64.4	40%	0.396	32%	0.324	S	S	.	.	S	Bend	trans	-103.3	141.2	-176.4	-68.6	-177.5	178.4	154.1	0	112.3	D53 D81	D53-K56 HydrophobicContact CB-CD 4.18Å; D53-K56 HydrophobicContact CB-CG 4.25Å; D53-K56 PolarHBondContact O-N 3.12Å; D53-K56 WeakPolarHBondContact OD2-CE 3.25Å; D53-K56 IonicContact OD2-NZ 3.88Å; D53-K56 PolarHBondContact OD2-NZ 2.95Å; K56-D81 WeakPolarHBondContact CA-OD1 3.32Å; K56-D81 HydrophobicContact CB-CB 3.98Å; K56-D81 HydrophobicContact CD-CB 4.25Å; K56-D81 HydrophobicContact CG-CB 4.11Å
57	R	80.9	Confident	83.5	Confident	64 Å²	64	66.7 Å²	66.7	24%	0.242	33%	0.328	C	S	.	.			trans	-78.3	147.8	174.6	-67.1	-156.3	-174.3	-168.4	7.3	111.4	H59 D81 Y86 D87 E106	R57-H59 WeakPolarHBondContact CB-NE2 3.41Å; R57-D81 PolarHBondContact N-OD1 3.23Å; R57-D81 PolarHBondContact O-N 2.02Å; R57-Y86 HydrophobicContact CB-CD1 4.39Å; R57-Y86 HydrophobicContact CB-CE1 3.72Å; R57-Y86 HydrophobicContact CG-CE1 3.94Å; R57-Y86 HydrophobicContact CG-CE2 4.34Å; R57-D87 IonicContact CZ-OD1 2.93Å; R57-D87 IonicContact NH1-OD1 3.01Å; R57-D87 PolarHBondContact NH1-OD1 2.86Å; R57-E106 IonicContact NH1-OE1 2.78Å; R57-E106 IonicContact NH1-OE2 2.75Å; R57-E106 PolarHBondContact NH1-OE2 2.98Å
58	R	86.3	Confident	82.9	Confident	65 Å²	65	69.3 Å²	69.3	25%	0.245	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.3	-177.1	-64.2	177.4	-68.6	-167.7	-2	109.6	E26 Q28 C50 L80	E26-R58 PolarHBondContact O-NH1 3.49Å; E26-R58 PolarHBondContact O-NH2 3.01Å; Q28-R58 HydrophobicContact CB-CB 4.39Å; Q28-R58 PolarHBondContact NE2-O 3.36Å; Q28-R58 PolarHBondContact OE1-O 2.92Å; Q28-R58 VanDerWaalsContact OE1-O 3.1Å; C50-R58 HydrophobicContact CB-CB 4.42Å; C50-R58 WeakPolarHBondContact O-CD 3.39Å; R58-L80 HydrophobicContact CG-CD2 4Å
59	H	89.8	Confident	82.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156	-176.7	-56.1	-73	0	0	0	110.2	R57 W79 C85 Y86 C105 E106	R57-H59 WeakPolarHBondContact CB-NE2 3.41Å; H59-W79 WeakPolarHBondContact CA-O 3.49Å; H59-W79 HydrophobicContact CB-CB 4.24Å; H59-W79 WeakPolarHBondContact CB-O 3.07Å; H59-W79 PolarHBondContact N-O 3.25Å; H59-W79 PolarHBondContact O-N 3.43Å; H59-W79 VanDerWaalsContact O-O 3.11Å; H59-C85 HydrophobicContact CB-CB 3.95Å; H59-C85 PolarHBondContact CE1-O 2.98Å; H59-C85 VanDerWaalsContact CG-CB 3.42Å; H59-C85 WeakPolarHBondContact ND1-CB 3.45Å; H59-C85 PolarHBondContact ND1-O 2.81Å; H59-Y86 AromaticContact CE1-CD1 3.62Å; H59-Y86 AromaticContact NE2-CD1 3.39Å; H59-Y86 WeakPolarHBondContact NE2-CD1 3.44Å; H59-Y86 AromaticContact NE2-CE1 3.43Å; H59-Y86 WeakPolarHBondContact NE2-CE1 3.33Å; H59-C105 CarbonylContact C-O 3.57Å; H59-C105 WeakPolarHBondContact CA-O 3.03Å; H59-C105 VanDerWaalsContact CB-O 3.31Å; H59-C105 WeakPolarHBondContact CB-O 3.04Å; H59-E106 IonicContact CE1-OE2 2.65Å; H59-E106 PolarHBondContact CE1-OE2 3.25Å
60	C	91.8	Very high	81.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	153.5	164.4	-52.7	0	0	0	0	109.4	C30 G77 C104 C105 G107 N111	C30-C60 VanDerWaalsContact CA-SG 3.58Å; C30-C60 HydrophobicContact CB-CB 3.69Å; C30-C60 WeakPolarHBondContact CB-SG 3.48Å; C30-C60 WeakPolarHBondContact SG-CA 3.5Å; C30-C60 WeakPolarHBondContact SG-CB 3.35Å; C30-C60 CovalentContact SG-SG 2.02Å; C30-C60 PolarHBondContact SG-SG 2.77Å; C60-G77 CarbonylContact C-O 3.5Å; C60-G77 WeakPolarHBondContact CA-O 3.31Å; C60-C104 CarbonylContact O-C 3.2Å; C60-C104 WeakPolarHBondContact O-CA 3.48Å; C60-C105 PolarHBondContact N-O 3.17Å; C60-C105 PolarHBondContact O-N 3.48Å; C60-G107 PolarHBondContact SG-O 3.1Å; C60-N111 HydrophobicContact CB-CB 3.69Å
61	F	93.9	Very high	81.8	Confident	19 Å²	19	74.8 Å²	74.8	8%	0.083	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.2	172.1	80.5	-85.8	0	0	0	112.4	K75 Q76 G77 C78 W79 F102 C103 C104 N111	F61-K75 HydrophobicContact CE2-CB 4.31Å; F61-K75 HydrophobicContact CE2-CG 4.36Å; F61-K75 HydrophobicContact CZ-CD 4.37Å; F61-K75 HydrophobicContact CZ-CG 4.19Å; F61-Q76 WeakPolarHBondContact O-CA 3.29Å; F61-G77 VanDerWaalsContact CD1-C 3.44Å; F61-G77 WeakPolarHBondContact CD1-O 3.22Å; F61-G77 VanDerWaalsContact CE1-C 3.45Å; F61-G77 PolarHBondContact N-O 3.03Å; F61-G77 PolarHBondContact O-N 3.19Å; F61-C78 WeakPolarHBondContact CE1-O 2.9Å; F61-W79 HydrophobicContact CB-CB 4.27Å; F61-W79 HydrophobicContact CD1-CB 4Å; F61-W79 HydrophobicContact CD1-CE3 4.05Å; F61-W79 HydrophobicContact CE1-CE3 4.28Å; F61-W79 HydrophobicContact CG-CE3 4.46Å; F61-F102 HydrophobicContact CB-CE2 3.98Å; F61-F102 HydrophobicContact CB-CZ 4.09Å; F61-F102 HydrophobicContact CD2-CD2 4.35Å; F61-F102 AromaticContact CD2-CE2 3.77Å; F61-F102 HydrophobicContact CD2-CE2 3.77Å; F61-F102 HydrophobicContact CG-CE2 4.11Å; F61-C103 CarbonylContact C-O 3.48Å; F61-C103 WeakPolarHBondContact CA-O 3.28Å; F61-C103 WeakPolarHBondContact CB-O 3.43Å; F61-C104 HydrophobicContact CB-CB 4.3Å; F61-N111 PolarHBondContact O-ND2 2.97Å
62	A	92.9	Very high	82.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.9	169	0	0	0	0	0	110.8	W64 Q76 F102 C103 N111 F114	A62-W64 HydrophobicContact CB-CE3 4.41Å; A62-W64 HydrophobicContact CB-CZ3 4.4Å; A62-Q76 HydrophobicContact CB-CG 3.93Å; A62-F102 WeakPolarHBondContact O-CA 3.37Å; A62-C103 PolarHBondContact N-O 3.46Å; A62-C103 PolarHBondContact O-N 2.88Å; A62-N111 HydrophobicContact CB-CB 4.36Å; A62-F114 HydrophobicContact CB-CB 4.08Å; A62-F114 HydrophobicContact CB-CD1 3.94Å; A62-F114 HydrophobicContact CB-CG 4.12Å
63	T	92.5	Very high	83.2	Confident	21 Å²	21	71.3 Å²	71.3	13%	0.129	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126	-179.5	-54.5	0	0	0	0	109.4	V74 K75 V100 Y101 F102	T63-V74 HydrophobicContact CG2-CB 4.16Å; T63-V74 PolarHBondContact O-N 3.05Å; T63-K75 WeakPolarHBondContact CB-O 3.4Å; T63-K75 PolarHBondContact N-O 2.85Å; T63-K75 PolarHBondContact O-N 2.82Å; T63-V100 HydrophobicContact CG2-CG1 3.21Å; T63-Y101 VanDerWaalsContact CA-O 3.25Å; T63-Y101 WeakPolarHBondContact CA-O 3.22Å; T63-Y101 WeakPolarHBondContact CG2-O 3.35Å; T63-F102 WeakPolarHBondContact OG1-CD2 3.12Å
64	W	90.8	Very high	84	Confident	8 Å²	8	68.8 Å²	68.8	3%	0.03	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.6	-176.5	69.6	97.6	0	0	0	112.5	A62 I71 E72 E93 Y101 C103 F114	A62-W64 HydrophobicContact CB-CE3 4.41Å; A62-W64 HydrophobicContact CB-CZ3 4.4Å; W64-I71 HydrophobicContact CB-CG2 4.15Å; W64-I71 HydrophobicContact CG-CG2 4.17Å; W64-E72 CarbonylContact C-O 3.53Å; W64-E72 VanDerWaalsContact CA-O 3.24Å; W64-E72 WeakPolarHBondContact CA-O 3.28Å; W64-E72 WeakPolarHBondContact CB-O 3.4Å; W64-E93 HydrophobicContact CH2-CB 3.98Å; W64-E93 HydrophobicContact CZ2-CB 4.3Å; W64-Y101 HydrophobicContact CD2-CG 4.46Å; W64-Y101 AromaticContact CE2-CG 3.78Å; W64-Y101 VanDerWaalsContact CZ2-CB 3.5Å; W64-Y101 HydrophobicContact CZ2-CD1 4.18Å; W64-Y101 HydrophobicContact CZ2-CG 4.02Å; W64-Y101 PolarHBondContact N-O 3.11Å; W64-Y101 AromaticContact NE1-CD2 3.82Å; W64-Y101 AromaticContact NE1-CG 3.62Å; W64-Y101 WeakPolarHBondContact O-CB 3.14Å; W64-Y101 PolarHBondContact O-N 2.83Å; W64-C103 HydrophobicContact CH2-CB 4.33Å; W64-C103 HydrophobicContact CZ3-CB 4.29Å; W64-C103 WeakPolarHBondContact CZ3-SG 3.49Å; W64-F114 HydrophobicContact CB-CE2 3.95Å; W64-F114 HydrophobicContact CB-CZ 4.4Å; W64-F114 AromaticContact CD2-CD2 3.32Å; W64-F114 HydrophobicContact CD2-CD2 3.32Å; W64-F114 AromaticContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CE2 3.49Å; W64-F114 VanDerWaalsContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CG 4.29Å; W64-F114 AromaticContact CE2-CD2 3.59Å; W64-F114 AromaticContact CE2-CE2 3.95Å; W64-F114 HydrophobicContact CE3-CB 4.23Å; W64-F114 AromaticContact CE3-CD2 3.36Å; W64-F114 HydrophobicContact CE3-CD2 3.36Å; W64-F114 AromaticContact CE3-CE2 3.86Å; W64-F114 HydrophobicContact CE3-CE2 3.86Å; W64-F114 AromaticContact CE3-CG 3.88Å; W64-F114 HydrophobicContact CE3-CG 3.88Å; W64-F114 AromaticContact CG-CD2 3.92Å; W64-F114 HydrophobicContact CG-CD2 3.92Å; W64-F114 AromaticContact CG-CE2 3.54Å; W64-F114 HydrophobicContact CG-CE2 3.54Å; W64-F114 HydrophobicContact CG-CZ 4.44Å; W64-F114 HydrophobicContact CH2-CB 4.03Å; W64-F114 AromaticContact CH2-CD2 3.94Å; W64-F114 HydrophobicContact CH2-CD2 3.94Å; W64-F114 HydrophobicContact CH2-CG 4.39Å; W64-F114 AromaticContact CZ2-CD2 3.88Å; W64-F114 HydrophobicContact CZ2-CD2 3.88Å; W64-F114 HydrophobicContact CZ3-CB 3.8Å; W64-F114 AromaticContact CZ3-CD2 3.7Å; W64-F114 HydrophobicContact CZ3-CD2 3.7Å; W64-F114 AromaticContact CZ3-CG 3.97Å; W64-F114 HydrophobicContact CZ3-CG 3.97Å
65	K	88.7	Confident	85.3	Confident	85 Å²	85	63.2 Å²	63.2	37%	0.37	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.1	171.9	-69.7	176.7	178	-179.5	0	109.3	I67 I71 E72 V74 V100	K65-I67 HydrophobicContact CB-CG1 4.22Å; K65-I71 WeakPolarHBondContact O-CA 3.2Å; K65-E72 PolarHBondContact N-O 2.7Å; K65-E72 PolarHBondContact O-N 3.49Å; K65-V74 HydrophobicContact CD-CG2 4.05Å; K65-V74 HydrophobicContact CG-CG2 3.81Å; K65-V100 HydrophobicContact CG-CG1 4.36Å; K65-V100 HydrophobicContact CG-CG2 4.21Å
66	N	83.6	Confident	86.4	Confident	80 Å²	80	56.3 Å²	56.3	43%	0.428	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	98.9	169.5	-174.7	-9.8	0	0	0	108.2	G69 Y101	N66-G69 WeakPolarHBondContact OD1-CA 3.37Å; N66-G69 PolarHBondContact OD1-N 3.25Å; N66-Y101 HydrophobicContact CB-CE2 3.87Å
67	I	80.8	Confident	87.1	Confident	76 Å²	76	52 Å²	52	39%	0.39	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.9	179.5	-53.8	-175.9	0	0	0	107.1	K65 G69 S70 E72	K65-I67 HydrophobicContact CB-CG1 4.22Å; I67-G69 PolarHBondContact O-N 2.01Å; I67-G69 VanDerWaalsContact O-N 3.09Å; I67-S70 PolarHBondContact N-O 2.03Å; I67-S70 PolarHBondContact O-N 2.99Å; I67-S70 PolarHBondContact O-OG 3.35Å; I67-E72 WeakPolarHBondContact CD1-OE2 3.02Å
68	S	77.3	Confident	87.6	Confident	132 Å²	132	50.4 Å²	50.4	92%	0.923	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	32.4	176	-52.3	0	0	0	0	115.2
69	G	73.4	Confident	87.7	Confident	65 Å²	65	51.9 Å²	51.9	67%	0.67	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-6.5	179.8	0	0	0	0	0	115	N66 I67	N66-G69 WeakPolarHBondContact OD1-CA 3.37Å; N66-G69 PolarHBondContact OD1-N 3.25Å; I67-G69 PolarHBondContact O-N 2.01Å; I67-G69 VanDerWaalsContact O-N 3.09Å
70	S	77.9	Confident	87.4	Confident	64 Å²	64	55.9 Å²	55.9	45%	0.448	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.6	169.1	53.3	0	0	0	0	111.6	I67	I67-S70 PolarHBondContact N-O 2.03Å; I67-S70 PolarHBondContact O-N 2.99Å; I67-S70 PolarHBondContact O-OG 3.35Å
71	I	85.4	Confident	86.8	Confident	104 Å²	104	59 Å²	59	53%	0.533	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.1	176.1	-63.5	175.4	0	0	0	108.8	W64 K65 F114	W64-I71 HydrophobicContact CB-CG2 4.15Å; W64-I71 HydrophobicContact CG-CG2 4.17Å; K65-I71 WeakPolarHBondContact O-CA 3.2Å; I71-F114 HydrophobicContact CG2-CE2 3.73Å; I71-F114 HydrophobicContact CG2-CZ 3.97Å
72	E	88	Confident	86.2	Confident	102 Å²	102	60 Å²	60	48%	0.477	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.9	171.1	-69.3	-172.7	176.6	0	0	109.7	W64 K65 I67 V74	W64-E72 CarbonylContact C-O 3.53Å; W64-E72 VanDerWaalsContact CA-O 3.24Å; W64-E72 WeakPolarHBondContact CA-O 3.28Å; W64-E72 WeakPolarHBondContact CB-O 3.4Å; K65-E72 PolarHBondContact N-O 2.7Å; K65-E72 PolarHBondContact O-N 3.49Å; I67-E72 WeakPolarHBondContact CD1-OE2 3.02Å; E72-V74 PolarHBondContact O-N 3.34Å
73	I	88.2	Confident	85.6	Confident	52 Å²	52	66.1 Å²	66.1	27%	0.267	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.1	175.3	-55.6	176.5	0	0	0	108.3	F33 Q76 F114	F33-I73 HydrophobicContact CB-CG2 4.23Å; F33-I73 HydrophobicContact CD1-CB 3.93Å; F33-I73 HydrophobicContact CD1-CG2 3.44Å; F33-I73 VanDerWaalsContact CD1-CG2 3.44Å; F33-I73 HydrophobicContact CE1-CB 3.93Å; F33-I73 HydrophobicContact CE1-CG2 3.97Å; F33-I73 VanDerWaalsContact CE1-O 3.22Å; F33-I73 WeakPolarHBondContact CE1-O 3.46Å; F33-I73 HydrophobicContact CG-CB 4.48Å; F33-I73 HydrophobicContact CG-CG2 3.9Å; F33-I73 HydrophobicContact CZ-CB 4.49Å; I73-Q76 HydrophobicContact CG2-CG 3.9Å; I73-F114 HydrophobicContact CD1-CE1 3.82Å; I73-F114 HydrophobicContact CD1-CZ 3.86Å; I73-F114 HydrophobicContact CG1-CE1 4.07Å; I73-F114 HydrophobicContact CG1-CZ 3.67Å
74	V	90	Very high	85.1	Confident	46 Å²	46	70.1 Å²	70.1	28%	0.279	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-50.6	176.7	-179.9	0	0	0	0	109.8	A35 T63 K65 E72 V100	A35-V74 WeakPolarHBondContact CB-O 3.36Å; A35-V74 PolarHBondContact N-O 3.39Å; A35-V74 VanDerWaalsContact N-O 3.17Å; T63-V74 HydrophobicContact CG2-CB 4.16Å; T63-V74 PolarHBondContact O-N 3.05Å; K65-V74 HydrophobicContact CD-CG2 4.05Å; K65-V74 HydrophobicContact CG-CG2 3.81Å; E72-V74 PolarHBondContact O-N 3.34Å; V74-V100 HydrophobicContact CG2-CG1 4.36Å
75	K	91.5	Very high	84.7	Confident	94 Å²	94	69.8 Å²	69.8	41%	0.409	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	146.9	-177.9	-157.6	169.5	-176.9	174.1	0	112.4	F33 F61 T63	F33-K75 CarbonylContact O-C 3.47Å; F33-K75 VanDerWaalsContact O-CA 3.25Å; F33-K75 WeakPolarHBondContact O-CA 2.94Å; F33-K75 WeakPolarHBondContact O-CG 3.24Å; F61-K75 HydrophobicContact CE2-CB 4.31Å; F61-K75 HydrophobicContact CE2-CG 4.36Å; F61-K75 HydrophobicContact CZ-CD 4.37Å; F61-K75 HydrophobicContact CZ-CG 4.19Å; T63-K75 WeakPolarHBondContact CB-O 3.4Å; T63-K75 PolarHBondContact N-O 2.85Å; T63-K75 PolarHBondContact O-N 2.82Å
76	Q	93.1	Very high	84.5	Confident	14 Å²	14	69 Å²	69	7%	0.065	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.1	169.4	-65.2	175.4	-70.2	0	0	109.2	L31 F32 F33 F61 A62 I73 N111	L31-Q76 CarbonylContact O-C 3.58Å; L31-Q76 VanDerWaalsContact O-CB 3.29Å; L31-Q76 WeakPolarHBondContact O-CB 3.48Å; F32-Q76 WeakPolarHBondContact CA-O 3.47Å; F32-Q76 WeakPolarHBondContact CD2-O 3.25Å; F33-Q76 HydrophobicContact CB-CB 3.96Å; F33-Q76 HydrophobicContact CB-CG 4.13Å; F33-Q76 PolarHBondContact N-O 3.31Å; F33-Q76 VanDerWaalsContact N-O 3.14Å; F33-Q76 PolarHBondContact O-N 2.91Å; F61-Q76 WeakPolarHBondContact O-CA 3.29Å; A62-Q76 HydrophobicContact CB-CG 3.93Å; I73-Q76 HydrophobicContact CG2-CG 3.9Å; Q76-N111 PolarHBondContact NE2-O 2.79Å
77	G	91.8	Very high	84.4	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-158.9	175.7	0	0	0	0	0	114.1	L31 E48 C60 F61	L31-G77 WeakPolarHBondContact O-CA 3.02Å; L31-G77 PolarHBondContact O-N 2.77Å; E48-G77 WeakPolarHBondContact OE1-CA 3Å; C60-G77 CarbonylContact C-O 3.5Å; C60-G77 WeakPolarHBondContact CA-O 3.31Å; F61-G77 VanDerWaalsContact CD1-C 3.44Å; F61-G77 WeakPolarHBondContact CD1-O 3.22Å; F61-G77 VanDerWaalsContact CE1-C 3.45Å; F61-G77 PolarHBondContact N-O 3.03Å; F61-G77 PolarHBondContact O-N 3.19Å
78	C	91.5	Very high	84.6	Confident	30 Å²	30	72.8 Å²	72.8	20%	0.203	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141	177.8	-66	0	0	0	0	113	E48 C50 F61	E48-C78 PolarHBondContact OE1-N 2.98Å; C50-C78 WeakPolarHBondContact CA-SG 3.18Å; C50-C78 HydrophobicContact CB-CB 3.78Å; C50-C78 WeakPolarHBondContact CB-SG 3.47Å; C50-C78 WeakPolarHBondContact SG-CB 3.3Å; C50-C78 CovalentContact SG-SG 2.03Å; C50-C78 PolarHBondContact SG-SG 3.3Å; F61-C78 WeakPolarHBondContact CE1-O 2.9Å
79	W	88.1	Confident	85	Confident	97 Å²	97	71.2 Å²	71.2	37%	0.367	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.7	174.6	-161.6	-107.3	0	0	0	109.3	H59 F61 D82	H59-W79 WeakPolarHBondContact CA-O 3.49Å; H59-W79 HydrophobicContact CB-CB 4.24Å; H59-W79 WeakPolarHBondContact CB-O 3.07Å; H59-W79 PolarHBondContact N-O 3.25Å; H59-W79 PolarHBondContact O-N 3.43Å; H59-W79 VanDerWaalsContact O-O 3.11Å; F61-W79 HydrophobicContact CB-CB 4.27Å; F61-W79 HydrophobicContact CD1-CB 4Å; F61-W79 HydrophobicContact CD1-CE3 4.05Å; F61-W79 HydrophobicContact CE1-CE3 4.28Å; F61-W79 HydrophobicContact CG-CE3 4.46Å; W79-D82 VanDerWaalsContact CD1-CB 3.42Å; W79-D82 PolarHBondContact NE1-OD2 2.86Å
80	L	83.8	Confident	85.6	Confident	83 Å²	83	73.2 Å²	73.2	44%	0.435	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.3	-172.2	-63.8	176.2	0	0	0	111.4	Y51 R58 D82	Y51-L80 WeakPolarHBondContact O-CD1 2.98Å; R58-L80 HydrophobicContact CG-CD2 4Å; L80-D82 PolarHBondContact O-N 2.95Å
81	D	80.6	Confident	86.1	Confident	67 Å²	67	70.2 Å²	70.2	36%	0.358	35%	0.352	S	S	.	.	S	Bend	trans	59	35.1	162.3	-145.5	42.4	0	0	0	116.5	K56 R57 Y86	K56-D81 WeakPolarHBondContact CA-OD1 3.32Å; K56-D81 HydrophobicContact CB-CB 3.98Å; K56-D81 HydrophobicContact CD-CB 4.25Å; K56-D81 HydrophobicContact CG-CB 4.11Å; R57-D81 PolarHBondContact N-OD1 3.23Å; R57-D81 PolarHBondContact O-N 2.02Å; D81-Y86 PolarHBondContact OD1-OH 3.29Å; D81-Y86 VanDerWaalsContact OD1-OH 3.11Å
82	D	80	Confident	86.2	Confident	39 Å²	39	66.9 Å²	66.9	21%	0.209	34%	0.336	C	S	.	.			trans	-97.2	119.1	178	-168.5	-44.9	0	0	0	111.6	W79 L80 N84 C85 Y86	W79-D82 VanDerWaalsContact CD1-CB 3.42Å; W79-D82 PolarHBondContact NE1-OD2 2.86Å; L80-D82 PolarHBondContact O-N 2.95Å; D82-N84 PolarHBondContact O-N 2.89Å; D82-N84 VanDerWaalsContact O-N 3.11Å; D82-N84 VanDerWaalsContact OD1-CB 3.25Å; D82-N84 WeakPolarHBondContact OD1-CB 3.1Å; D82-N84 PolarHBondContact OD1-N 3.44Å; D82-N84 PolarHBondContact OD1-ND2 2.91Å; D82-C85 WeakPolarHBondContact O-CB 3.44Å; D82-C85 PolarHBondContact O-N 3.21Å; D82-Y86 WeakPolarHBondContact O-CD1 3.01Å; D82-Y86 VanDerWaalsContact O-CE1 3.28Å; D82-Y86 WeakPolarHBondContact O-CE1 3.44Å
83	I	81.6	Confident	86.2	Confident	128 Å²	128	63.2 Å²	63.2	66%	0.656	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-60	-25.2	-176.3	-151.9	164.3	0	0	0	113.2	C85 Y86	I83-C85 PolarHBondContact O-N 2.87Å; I83-Y86 HydrophobicContact CG1-CD2 4.25Å; I83-Y86 HydrophobicContact CG1-CE2 4.31Å; I83-Y86 PolarHBondContact O-N 3.28Å
84	N	81.7	Confident	85.8	Confident	106 Å²	106	65.6 Å²	65.6	57%	0.567	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-72.2	-19.3	179.4	-59.8	-64.5	0	0	0	112.4	D82 R88	D82-N84 PolarHBondContact O-N 2.89Å; D82-N84 VanDerWaalsContact O-N 3.11Å; D82-N84 VanDerWaalsContact OD1-CB 3.25Å; D82-N84 WeakPolarHBondContact OD1-CB 3.1Å; D82-N84 PolarHBondContact OD1-N 3.44Å; D82-N84 PolarHBondContact OD1-ND2 2.91Å; N84-R88 WeakPolarHBondContact O-CD 3.19Å; N84-R88 PolarHBondContact O-NE 3.01Å
85	C	82.1	Confident	85.2	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-95.7	-3.8	-176.9	-49.4	0	0	0	0	112.9	H59 D82 I83 D87 C104	H59-C85 HydrophobicContact CB-CB 3.95Å; H59-C85 PolarHBondContact CE1-O 2.98Å; H59-C85 VanDerWaalsContact CG-CB 3.42Å; H59-C85 WeakPolarHBondContact ND1-CB 3.45Å; H59-C85 PolarHBondContact ND1-O 2.81Å; D82-C85 WeakPolarHBondContact O-CB 3.44Å; D82-C85 PolarHBondContact O-N 3.21Å; I83-C85 PolarHBondContact O-N 2.87Å; C85-D87 PolarHBondContact O-N 2.88Å; C85-C104 WeakPolarHBondContact CA-SG 3.46Å; C85-C104 HydrophobicContact CB-CB 3.8Å; C85-C104 WeakPolarHBondContact CB-SG 3.17Å; C85-C104 WeakPolarHBondContact SG-CB 3.44Å; C85-C104 CovalentContact SG-SG 2.01Å; C85-C104 PolarHBondContact SG-SG 2.93Å
86	Y	83.2	Confident	83.9	Confident	69 Å²	69	71.8 Å²	71.8	27%	0.271	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	133.3	-175.1	-75.9	19.9	0	0	0	110.5	R57 H59 D81 D82 I83 R88	R57-Y86 HydrophobicContact CB-CD1 4.39Å; R57-Y86 HydrophobicContact CB-CE1 3.72Å; R57-Y86 HydrophobicContact CG-CE1 3.94Å; R57-Y86 HydrophobicContact CG-CE2 4.34Å; H59-Y86 AromaticContact CE1-CD1 3.62Å; H59-Y86 AromaticContact NE2-CD1 3.39Å; H59-Y86 WeakPolarHBondContact NE2-CD1 3.44Å; H59-Y86 AromaticContact NE2-CE1 3.43Å; H59-Y86 WeakPolarHBondContact NE2-CE1 3.33Å; D81-Y86 PolarHBondContact OD1-OH 3.29Å; D81-Y86 VanDerWaalsContact OD1-OH 3.11Å; D82-Y86 WeakPolarHBondContact O-CD1 3.01Å; D82-Y86 VanDerWaalsContact O-CE1 3.28Å; D82-Y86 WeakPolarHBondContact O-CE1 3.44Å; I83-Y86 HydrophobicContact CG1-CD2 4.25Å; I83-Y86 HydrophobicContact CG1-CE2 4.31Å; I83-Y86 PolarHBondContact O-N 3.28Å; Y86-R88 PolarHBondContact O-N 3.06Å
87	D	83.1	Confident	82.4	Confident	126 Å²	126	76 Å²	76	67%	0.674	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	18	175	-47	-40.9	0	0	0	114.1	R57 C85 E106	R57-D87 IonicContact CZ-OD1 2.93Å; R57-D87 IonicContact NH1-OD1 3.01Å; R57-D87 PolarHBondContact NH1-OD1 2.86Å; C85-D87 PolarHBondContact O-N 2.88Å; D87-E106 PolarHBondContact N-OE2 2.84Å
88	R	84.2	Confident	81.3	Confident	109 Å²	109	77.6 Å²	77.6	41%	0.411	40%	0.397	S	S	.	.			trans	-92.1	110.7	175.1	-69.4	-165.9	-179.2	-139	1.4	111.1	N84 Y86 C105 E106	N84-R88 WeakPolarHBondContact O-CD 3.19Å; N84-R88 PolarHBondContact O-NE 3.01Å; Y86-R88 PolarHBondContact O-N 3.06Å; R88-C105 CarbonylContact O-C 3.59Å; R88-C105 WeakPolarHBondContact O-CA 3.43Å; R88-C105 WeakPolarHBondContact O-CB 3.47Å; R88-E106 PolarHBondContact O-N 3.46Å
89	T	85.1	Confident	80.5	Confident	99 Å²	99	85.3 Å²	85.3	61%	0.607	43%	0.43	S	S	*	.			trans	-78.2	-27.6	178.8	48.1	0	0	0	0	113.9
90	D	86.4	Confident	80.4	Confident	108 Å²	108	83.3 Å²	83.3	58%	0.578	43%	0.429	S	S	*	.	S	Bend	trans	-117.3	137.4	-171.4	-58.8	-79	0	0	0	111.6	V92	D90-V92 HydrophobicContact CB-CG2 4.04Å; D90-V92 PolarHBondContact O-N 2.98Å; D90-V92 VanDerWaalsContact O-N 3.16Å
91	C	88.8	Confident	80.6	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.007	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	91	178.8	-154.9	0	0	0	0	110.3	C103 C105 F114 S115	C91-C103 VanDerWaalsContact CA-SG 3.52Å; C91-C103 HydrophobicContact CB-CB 4.03Å; C91-C103 WeakPolarHBondContact CB-SG 3.41Å; C91-C103 PolarHBondContact O-SG 3.17Å; C91-C103 VanDerWaalsContact O-SG 3.4Å; C91-C103 WeakPolarHBondContact SG-CB 3.39Å; C91-C103 PolarHBondContact SG-O 3.36Å; C91-C103 CovalentContact SG-SG 2.03Å; C91-C103 PolarHBondContact SG-SG 2.87Å; C91-C105 HydrophobicContact CB-CB 4.33Å; C91-F114 HydrophobicContact CB-CB 4.27Å; C91-F114 VanDerWaalsContact O-CA 3.28Å; C91-F114 WeakPolarHBondContact O-CA 3.48Å; C91-S115 PolarHBondContact O-N 3.48Å; C91-S115 VanDerWaalsContact O-N 3.14Å
92	V	88.6	Confident	81.2	Confident	33 Å²	33	80.5 Å²	80.5	20%	0.2	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.3	-176.7	-175.9	0	0	0	0	111.7	D90 S115 F117	D90-V92 HydrophobicContact CB-CG2 4.04Å; D90-V92 PolarHBondContact O-N 2.98Å; D90-V92 VanDerWaalsContact O-N 3.16Å; V92-S115 WeakPolarHBondContact CA-O 3.33Å; V92-F117 HydrophobicContact CG1-CB 4.25Å; V92-F117 HydrophobicContact CG1-CD2 3.8Å
93	E	86.6	Confident	81.8	Confident	26 Å²	26	78.9 Å²	78.9	12%	0.121	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	137	167.9	-179.5	56.3	-84.5	0	0	109.9	W64 K95 Y101 S115 Y116 F117	W64-E93 HydrophobicContact CH2-CB 3.98Å; W64-E93 HydrophobicContact CZ2-CB 4.3Å; E93-K95 WeakPolarHBondContact OE1-CB 3.16Å; E93-K95 PolarHBondContact OE1-N 2.92Å; E93-Y101 HydrophobicContact CB-CD1 4.29Å; E93-Y101 HydrophobicContact CG-CD1 3.87Å; E93-S115 PolarHBondContact N-O 3.37Å; E93-Y116 WeakPolarHBondContact O-CD2 3.25Å; E93-F117 PolarHBondContact O-N 2.88Å
94	K	80.3	Confident	82.3	Confident	101 Å²	101	73.3 Å²	73.3	44%	0.439	37%	0.373	S	S	.	.			trans	-115.8	-17.3	-177.9	-67.9	-172.8	169.7	-161.9	0	113.3	E119	K94-E119 IonicContact NZ-OE1 2.72Å; K94-E119 PolarHBondContact NZ-OE1 3.42Å
95	K	76.4	Confident	82.7	Confident	149 Å²	149	68.2 Å²	68.2	65%	0.648	35%	0.346	S	S	*	.			trans	-71.5	134.7	180	-70.8	179.9	179	175.4	0	111	E93 P98 Y116	E93-K95 WeakPolarHBondContact OE1-CB 3.16Å; E93-K95 PolarHBondContact OE1-N 2.92Å; K95-P98 WeakPolarHBondContact O-CD 3.45Å; K95-Y116 VanDerWaalsContact O-CE2 3.3Å; K95-Y116 WeakPolarHBondContact O-CE2 3.36Å
96	D	65.4	Low	83	Confident	121 Å²	121	70.4 Å²	70.4	65%	0.647	36%	0.356	S	S	*	.	S	Bend	trans	-83.7	139.1	178.5	-149.7	-8.4	0	0	0	111.2	P98 Y116	D96-P98 VanDerWaalsContact C-CD 3.49Å; D96-Y116 WeakPolarHBondContact CA-OH 3.29Å; D96-Y116 VanDerWaalsContact CG-OH 3.25Å; D96-Y116 PolarHBondContact OD1-OH 2.88Å
97	S	62	Low	83	Confident	103 Å²	103	68.4 Å²	68.4	72%	0.72	36%	0.356	S	S	*	.	S	Bend	trans	56	44.3	176.9	-54.9	0	0	0	0	118.6
98	P	67.2	Low	83.3	Confident	35 Å²	35	66.2 Å²	66.2	23%	0.227	35%	0.345	C	S	.	.			trans	-74.6	143.4	171.6	33.3	-35.2	0	0	0	111.6	K95 D96 V100 Y101	K95-P98 WeakPolarHBondContact O-CD 3.45Å; D96-P98 VanDerWaalsContact C-CD 3.49Å; P98-V100 WeakPolarHBondContact CB-O 3.25Å; P98-V100 PolarHBondContact O-N 3.32Å; P98-Y101 HydrophobicContact CG-CD1 3.53Å; P98-Y101 HydrophobicContact CG-CD2 4.11Å; P98-Y101 HydrophobicContact CG-CE1 3.59Å; P98-Y101 HydrophobicContact CG-CE2 4.15Å; P98-Y101 HydrophobicContact CG-CG 3.79Å
99	E	76.3	Confident	83.4	Confident	192 Å²	192	63.6 Å²	63.6	90%	0.897	34%	0.338	S	S	*	.	S	Bend	trans	-59.1	-29	170.7	-67.5	-174.1	168.5	0	0	111.8
100	V	85.3	Confident	83.6	Confident	54 Å²	54	59.9 Å²	59.9	33%	0.327	32%	0.316	S	S	.	.	S	Bend	trans	-144.7	125.6	175.1	-171.7	0	0	0	0	109	T63 K65 V74 P98	T63-V100 HydrophobicContact CG2-CG1 3.21Å; K65-V100 HydrophobicContact CG-CG1 4.36Å; K65-V100 HydrophobicContact CG-CG2 4.21Å; V74-V100 HydrophobicContact CG2-CG1 4.36Å; P98-V100 WeakPolarHBondContact CB-O 3.25Å; P98-V100 PolarHBondContact O-N 3.32Å
101	Y	88.4	Confident	83.8	Confident	27 Å²	27	54.7 Å²	54.7	11%	0.106	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.4	177.2	-65.4	-97	0	0	0	110.6	T63 W64 N66 E93 P98 Y116	T63-Y101 VanDerWaalsContact CA-O 3.25Å; T63-Y101 WeakPolarHBondContact CA-O 3.22Å; T63-Y101 WeakPolarHBondContact CG2-O 3.35Å; W64-Y101 HydrophobicContact CD2-CG 4.46Å; W64-Y101 AromaticContact CE2-CG 3.78Å; W64-Y101 VanDerWaalsContact CZ2-CB 3.5Å; W64-Y101 HydrophobicContact CZ2-CD1 4.18Å; W64-Y101 HydrophobicContact CZ2-CG 4.02Å; W64-Y101 PolarHBondContact N-O 3.11Å; W64-Y101 AromaticContact NE1-CD2 3.82Å; W64-Y101 AromaticContact NE1-CG 3.62Å; W64-Y101 WeakPolarHBondContact O-CB 3.14Å; W64-Y101 PolarHBondContact O-N 2.83Å; N66-Y101 HydrophobicContact CB-CE2 3.87Å; E93-Y101 HydrophobicContact CB-CD1 4.29Å; E93-Y101 HydrophobicContact CG-CD1 3.87Å; P98-Y101 HydrophobicContact CG-CD1 3.53Å; P98-Y101 HydrophobicContact CG-CD2 4.11Å; P98-Y101 HydrophobicContact CG-CE1 3.59Å; P98-Y101 HydrophobicContact CG-CE2 4.15Å; P98-Y101 HydrophobicContact CG-CG 3.79Å; Y101-Y116 HydrophobicContact CD1-CD2 4.09Å; Y101-Y116 HydrophobicContact CD1-CG 4.26Å; Y101-Y116 HydrophobicContact CE1-CD1 4.16Å; Y101-Y116 AromaticContact CE1-CD2 3.7Å; Y101-Y116 HydrophobicContact CE1-CD2 3.7Å; Y101-Y116 HydrophobicContact CE1-CE1 4.48Å; Y101-Y116 HydrophobicContact CE1-CE2 4.09Å; Y101-Y116 AromaticContact CE1-CG 3.75Å; Y101-Y116 HydrophobicContact CE1-CG 3.75Å
102	F	92.6	Very high	83.9	Confident	65 Å²	65	60.7 Å²	60.7	29%	0.285	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.2	179.5	176	-89.4	0	0	0	111.2	F61 A62 T63 C104	F61-F102 HydrophobicContact CB-CE2 3.98Å; F61-F102 HydrophobicContact CB-CZ 4.09Å; F61-F102 HydrophobicContact CD2-CD2 4.35Å; F61-F102 AromaticContact CD2-CE2 3.77Å; F61-F102 HydrophobicContact CD2-CE2 3.77Å; F61-F102 HydrophobicContact CG-CE2 4.11Å; A62-F102 WeakPolarHBondContact O-CA 3.37Å; T63-F102 WeakPolarHBondContact OG1-CD2 3.12Å; F102-C104 HydrophobicContact CE1-CB 4.32Å; F102-C104 HydrophobicContact CZ-CB 4.41Å
103	C	91.9	Very high	83.8	Confident	4 Å²	4	67 Å²	67	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.4	168.6	62.3	0	0	0	0	111.2	F61 A62 W64 C91	F61-C103 CarbonylContact C-O 3.48Å; F61-C103 WeakPolarHBondContact CA-O 3.28Å; F61-C103 WeakPolarHBondContact CB-O 3.43Å; A62-C103 PolarHBondContact N-O 3.46Å; A62-C103 PolarHBondContact O-N 2.88Å; W64-C103 HydrophobicContact CH2-CB 4.33Å; W64-C103 HydrophobicContact CZ3-CB 4.29Å; W64-C103 WeakPolarHBondContact CZ3-SG 3.49Å; C91-C103 VanDerWaalsContact CA-SG 3.52Å; C91-C103 HydrophobicContact CB-CB 4.03Å; C91-C103 WeakPolarHBondContact CB-SG 3.41Å; C91-C103 PolarHBondContact O-SG 3.17Å; C91-C103 VanDerWaalsContact O-SG 3.4Å; C91-C103 WeakPolarHBondContact SG-CB 3.39Å; C91-C103 PolarHBondContact SG-O 3.36Å; C91-C103 CovalentContact SG-SG 2.03Å; C91-C103 PolarHBondContact SG-SG 2.87Å
104	C	92.6	Very high	83.9	Confident	11 Å²	11	67.7 Å²	67.7	7%	0.074	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.3	172.4	61.8	0	0	0	0	111.7	C60 F61 C85 F102	C60-C104 CarbonylContact O-C 3.2Å; C60-C104 WeakPolarHBondContact O-CA 3.48Å; F61-C104 HydrophobicContact CB-CB 4.3Å; C85-C104 WeakPolarHBondContact CA-SG 3.46Å; C85-C104 HydrophobicContact CB-CB 3.8Å; C85-C104 WeakPolarHBondContact CB-SG 3.17Å; C85-C104 WeakPolarHBondContact SG-CB 3.44Å; C85-C104 CovalentContact SG-SG 2.01Å; C85-C104 PolarHBondContact SG-SG 2.93Å; F102-C104 HydrophobicContact CE1-CB 4.32Å; F102-C104 HydrophobicContact CZ-CB 4.41Å
105	C	90.1	Very high	84.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.8	-174.7	55.9	0	0	0	0	111.7	H59 C60 R88 C91 C110	H59-C105 CarbonylContact C-O 3.57Å; H59-C105 WeakPolarHBondContact CA-O 3.03Å; H59-C105 VanDerWaalsContact CB-O 3.31Å; H59-C105 WeakPolarHBondContact CB-O 3.04Å; C60-C105 PolarHBondContact N-O 3.17Å; C60-C105 PolarHBondContact O-N 3.48Å; R88-C105 CarbonylContact O-C 3.59Å; R88-C105 WeakPolarHBondContact O-CA 3.43Å; R88-C105 WeakPolarHBondContact O-CB 3.47Å; C91-C105 HydrophobicContact CB-CB 4.33Å; C105-C110 HydrophobicContact CB-CB 3.8Å; C105-C110 WeakPolarHBondContact CB-SG 3.28Å; C105-C110 PolarHBondContact O-SG 3.29Å; C105-C110 VanDerWaalsContact O-SG 3.34Å; C105-C110 WeakPolarHBondContact SG-CB 3.25Å; C105-C110 PolarHBondContact SG-O 3.31Å; C105-C110 VanDerWaalsContact SG-O 3.39Å; C105-C110 CovalentContact SG-SG 2.03Å; C105-C110 PolarHBondContact SG-SG 2.03Å
106	E	87.9	Confident	84.3	Confident	45 Å²	45	60.7 Å²	60.7	21%	0.21	32%	0.317	C	S	.	.	S	Bend	trans	-107.7	115.9	176.9	-166.5	169.1	173.6	0	0	108.8	R57 H59 D87 R88	R57-E106 IonicContact NH1-OE1 2.78Å; R57-E106 IonicContact NH1-OE2 2.75Å; R57-E106 PolarHBondContact NH1-OE2 2.98Å; H59-E106 IonicContact CE1-OE2 2.65Å; H59-E106 PolarHBondContact CE1-OE2 3.25Å; D87-E106 PolarHBondContact N-OE2 2.84Å; R88-E106 PolarHBondContact O-N 3.46Å
107	G	83.9	Confident	84.7	Confident	27 Å²	27	61.3 Å²	61.3	28%	0.278	31%	0.314	S	S	.	.	S	Bend	trans	150.4	162.2	-174.6	0	0	0	0	0	112.5	Q28 C60	Q28-G107 PolarHBondContact NE2-O 3.21Å; C60-G107 PolarHBondContact SG-O 3.1Å
108	N	88.3	Confident	85	Confident	80 Å²	80	59.6 Å²	59.6	43%	0.428	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	127.3	172.4	-87.8	-39.6	0	0	0	110.2	S25 T27 Q28 E29 C110	S25-N108 PolarHBondContact OG-ND2 3.47Å; T27-N108 PolarHBondContact O-ND2 2.96Å; T27-N108 PolarHBondContact O-OD1 3.44Å; T27-N108 VanDerWaalsContact O-OD1 3.14Å; Q28-N108 WeakPolarHBondContact CA-OD1 3.47Å; E29-N108 PolarHBondContact N-OD1 3.14Å; N108-C110 PolarHBondContact O-N 3.03Å
109	M	87.8	Confident	84.3	Confident	54 Å²	54	64.7 Å²	64.7	27%	0.266	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	23.3	175.5	-57.5	-71.9	-80.4	0	0	113.4	E29 L31 V47 N111 E112	E29-M109 HydrophobicContact CB-SD 4.39Å; E29-M109 PolarHBondContact O-N 2.87Å; L31-M109 HydrophobicContact CD1-CE 4.08Å; L31-M109 HydrophobicContact CD2-CE 3.47Å; L31-M109 VanDerWaalsContact CD2-CE 3.47Å; L31-M109 HydrophobicContact CD2-SD 4.5Å; L31-M109 HydrophobicContact CG-CE 3.41Å; L31-M109 VanDerWaalsContact CG-CE 3.41Å; L31-M109 HydrophobicContact CG-SD 4Å; V47-M109 HydrophobicContact CG1-CE 4.3Å; V47-M109 HydrophobicContact CG1-SD 3.68Å; V47-M109 HydrophobicContact CG2-CE 3.66Å; V47-M109 HydrophobicContact CG2-SD 4.15Å; M109-N111 PolarHBondContact O-N 2.79Å; M109-N111 VanDerWaalsContact O-N 3.07Å; M109-E112 VanDerWaalsContact O-CB 3.3Å; M109-E112 WeakPolarHBondContact O-CB 3.45Å; M109-E112 PolarHBondContact O-N 3.41Å
110	C	88.9	Confident	82.7	Confident	21 Å²	21	63.4 Å²	63.4	14%	0.142	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.2	-174.7	66.6	0	0	0	0	112.8	C105 N108 E112	C105-C110 HydrophobicContact CB-CB 3.8Å; C105-C110 WeakPolarHBondContact CB-SG 3.28Å; C105-C110 PolarHBondContact O-SG 3.29Å; C105-C110 VanDerWaalsContact O-SG 3.34Å; C105-C110 WeakPolarHBondContact SG-CB 3.25Å; C105-C110 PolarHBondContact SG-O 3.31Å; C105-C110 VanDerWaalsContact SG-O 3.39Å; C105-C110 CovalentContact SG-SG 2.03Å; C105-C110 PolarHBondContact SG-SG 2.03Å; N108-C110 PolarHBondContact O-N 3.03Å; C110-E112 VanDerWaalsContact C-N 3.31Å
111	N	91.2	Very high	80.6	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.8	175.1	67.3	-27.2	0	0	0	114	L31 C60 F61 A62 Q76 M109 K113	L31-N111 PolarHBondContact N-OD1 3.26Å; L31-N111 PolarHBondContact O-ND2 2.81Å; C60-N111 HydrophobicContact CB-CB 3.69Å; F61-N111 PolarHBondContact O-ND2 2.97Å; A62-N111 HydrophobicContact CB-CB 4.36Å; Q76-N111 PolarHBondContact NE2-O 2.79Å; M109-N111 PolarHBondContact O-N 2.79Å; M109-N111 VanDerWaalsContact O-N 3.07Å; N111-K113 VanDerWaalsContact C-N 3.34Å
112	E	89.2	Confident	78.1	Confident	126 Å²	126	73.9 Å²	73.9	59%	0.589	37%	0.371	S	S	*	.	S	Bend	trans	-62.2	-40.9	174.1	-175.8	-176	-157.8	0	0	112.5	L31 M109 C110	L31-E112 HydrophobicContact CD1-CB 3.48Å; L31-E112 VanDerWaalsContact CD1-CB 3.48Å; L31-E112 HydrophobicContact CD1-CG 3.81Å; M109-E112 VanDerWaalsContact O-CB 3.3Å; M109-E112 WeakPolarHBondContact O-CB 3.45Å; M109-E112 PolarHBondContact O-N 3.41Å; C110-E112 VanDerWaalsContact C-N 3.31Å
113	K	88.1	Confident	75.3	Confident	165 Å²	165	76.9 Å²	76.9	72%	0.717	40%	0.395	S	S	*	.	S	Bend	trans	-116.7	116.1	177.7	-64.5	-179.3	-175	173.5	0	108.3	N111	N111-K113 VanDerWaalsContact C-N 3.34Å
114	F	87.7	Confident	72.5	Confident	42 Å²	42	85.2 Å²	85.2	18%	0.184	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.8	172.7	56.6	-91.6	0	0	0	109.5	A62 W64 I71 I73 C91	A62-F114 HydrophobicContact CB-CB 4.08Å; A62-F114 HydrophobicContact CB-CD1 3.94Å; A62-F114 HydrophobicContact CB-CG 4.12Å; W64-F114 HydrophobicContact CB-CE2 3.95Å; W64-F114 HydrophobicContact CB-CZ 4.4Å; W64-F114 AromaticContact CD2-CD2 3.32Å; W64-F114 HydrophobicContact CD2-CD2 3.32Å; W64-F114 AromaticContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CE2 3.49Å; W64-F114 VanDerWaalsContact CD2-CE2 3.49Å; W64-F114 HydrophobicContact CD2-CG 4.29Å; W64-F114 AromaticContact CE2-CD2 3.59Å; W64-F114 AromaticContact CE2-CE2 3.95Å; W64-F114 HydrophobicContact CE3-CB 4.23Å; W64-F114 AromaticContact CE3-CD2 3.36Å; W64-F114 HydrophobicContact CE3-CD2 3.36Å; W64-F114 AromaticContact CE3-CE2 3.86Å; W64-F114 HydrophobicContact CE3-CE2 3.86Å; W64-F114 AromaticContact CE3-CG 3.88Å; W64-F114 HydrophobicContact CE3-CG 3.88Å; W64-F114 AromaticContact CG-CD2 3.92Å; W64-F114 HydrophobicContact CG-CD2 3.92Å; W64-F114 AromaticContact CG-CE2 3.54Å; W64-F114 HydrophobicContact CG-CE2 3.54Å; W64-F114 HydrophobicContact CG-CZ 4.44Å; W64-F114 HydrophobicContact CH2-CB 4.03Å; W64-F114 AromaticContact CH2-CD2 3.94Å; W64-F114 HydrophobicContact CH2-CD2 3.94Å; W64-F114 HydrophobicContact CH2-CG 4.39Å; W64-F114 AromaticContact CZ2-CD2 3.88Å; W64-F114 HydrophobicContact CZ2-CD2 3.88Å; W64-F114 HydrophobicContact CZ3-CB 3.8Å; W64-F114 AromaticContact CZ3-CD2 3.7Å; W64-F114 HydrophobicContact CZ3-CD2 3.7Å; W64-F114 AromaticContact CZ3-CG 3.97Å; W64-F114 HydrophobicContact CZ3-CG 3.97Å; I71-F114 HydrophobicContact CG2-CE2 3.73Å; I71-F114 HydrophobicContact CG2-CZ 3.97Å; I73-F114 HydrophobicContact CD1-CE1 3.82Å; I73-F114 HydrophobicContact CD1-CZ 3.86Å; I73-F114 HydrophobicContact CG1-CE1 4.07Å; I73-F114 HydrophobicContact CG1-CZ 3.67Å; C91-F114 HydrophobicContact CB-CB 4.27Å; C91-F114 VanDerWaalsContact O-CA 3.28Å; C91-F114 WeakPolarHBondContact O-CA 3.48Å
115	S	84.4	Confident	69.7	Low	38 Å²	38	90.2 Å²	90.2	27%	0.266	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.8	-176.6	53.4	0	0	0	0	111.7	C91 V92 E93 F117	C91-S115 PolarHBondContact O-N 3.48Å; C91-S115 VanDerWaalsContact O-N 3.14Å; V92-S115 WeakPolarHBondContact CA-O 3.33Å; E93-S115 PolarHBondContact N-O 3.37Å; S115-F117 WeakPolarHBondContact OG-CE2 3.37Å
116	Y	81.4	Confident	67.3	Low	65 Å²	65	97.3 Å²	97.3	26%	0.255	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.6	171.3	170.2	-120.3	0	0	0	108.2	E93 K95 D96 Y101 P118	E93-Y116 WeakPolarHBondContact O-CD2 3.25Å; K95-Y116 VanDerWaalsContact O-CE2 3.3Å; K95-Y116 WeakPolarHBondContact O-CE2 3.36Å; D96-Y116 WeakPolarHBondContact CA-OH 3.29Å; D96-Y116 VanDerWaalsContact CG-OH 3.25Å; D96-Y116 PolarHBondContact OD1-OH 2.88Å; Y101-Y116 HydrophobicContact CD1-CD2 4.09Å; Y101-Y116 HydrophobicContact CD1-CG 4.26Å; Y101-Y116 HydrophobicContact CE1-CD1 4.16Å; Y101-Y116 AromaticContact CE1-CD2 3.7Å; Y101-Y116 HydrophobicContact CE1-CD2 3.7Å; Y101-Y116 HydrophobicContact CE1-CE1 4.48Å; Y101-Y116 HydrophobicContact CE1-CE2 4.09Å; Y101-Y116 AromaticContact CE1-CG 3.75Å; Y101-Y116 HydrophobicContact CE1-CG 3.75Å; Y116-P118 HydrophobicContact CE1-CB 4.42Å; Y116-P118 HydrophobicContact CE1-CG 4.22Å
117	F	74.4	Confident	65	Low	134 Å²	134	100.4 Å²	100.4	59%	0.588	54%	0.536	S	S	*	.			trans	-126.8	103.6	173.9	-72.2	-73.9	0	0	0	108.6	V92 E93 S115 E119	V92-F117 HydrophobicContact CG1-CB 4.25Å; V92-F117 HydrophobicContact CG1-CD2 3.8Å; E93-F117 PolarHBondContact O-N 2.88Å; S115-F117 WeakPolarHBondContact OG-CE2 3.37Å; F117-E119 PolarHBondContact O-N 2.92Å
118	P	67	Low	62.5	Low	67 Å²	67	106.7 Å²	106.7	44%	0.435	56%	0.563	S	S	.	*			trans	-62.1	130.8	174.5	21.8	-28.5	0	0	0	109.7	Y116 M120	Y116-P118 HydrophobicContact CE1-CB 4.42Å; Y116-P118 HydrophobicContact CE1-CG 4.22Å; P118-M120 PolarHBondContact O-N 3.38Å
119	E	52.4	Low	60.1	Low	142 Å²	142	108.6 Å²	108.6	66%	0.664	58%	0.58	S	S	*	*			trans	-72	98.8	174.2	-153.5	155.9	-125.7	0	0	107.7	K94 F117 E121	K94-E119 IonicContact NZ-OE1 2.72Å; K94-E119 PolarHBondContact NZ-OE1 3.42Å; F117-E119 PolarHBondContact O-N 2.92Å; E119-E121 PolarHBondContact O-N 3.06Å; E119-E121 VanDerWaalsContact O-N 3.17Å
120	M	43.3	Very low	58	Low	164 Å²	164	112.8 Å²	112.8	81%	0.808	61%	0.608	S	S	*	*			trans	-68.3	110.4	175.3	-77.7	-177.6	65.8	0	0	109.5	P118 V122	P118-M120 PolarHBondContact O-N 3.38Å; M120-V122 PolarHBondContact O-N 3.11Å
121	E	40.2	Very low	55.6	Low	181 Å²	181	117.7 Å²	117.7	85%	0.846	64%	0.638	S	S	*	*			trans	-61.4	103.8	165.2	-75.8	-170.2	162.2	0	0	109.6	E119 T123	E119-E121 PolarHBondContact O-N 3.06Å; E119-E121 VanDerWaalsContact O-N 3.17Å; E121-T123 PolarHBondContact O-N 3Å; E121-T123 VanDerWaalsContact O-N 3.07Å
122	V	35.8	Very low	53.5	Low	120 Å²	120	123.4 Å²	123.4	73%	0.727	68%	0.675	S	S	*	*			trans	-75	95.9	168.5	-178.8	0	0	0	0	108	M120 Q124	M120-V122 PolarHBondContact O-N 3.11Å; V122-Q124 HydrophobicContact CG1-CG 4.24Å; V122-Q124 PolarHBondContact O-N 3.05Å
123	T	35.5	Very low	51.1	Low	128 Å²	128	125 Å²	125	79%	0.785	68%	0.68	S	S	*	*			trans	-72.1	110.5	159.9	13.9	0	0	0	0	108.2	E121 P125	E121-T123 PolarHBondContact O-N 3Å; E121-T123 VanDerWaalsContact O-N 3.07Å; T123-P125 WeakPolarHBondContact O-CD 3.39Å
124	Q	31.5	Very low	49.6	Very low	179 Å²	179	121.7 Å²	121.7	84%	0.836	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-80.5	125.8	171.7	-76.2	-174.7	-17.5	0	0	110.7	V122	V122-Q124 HydrophobicContact CG1-CG 4.24Å; V122-Q124 PolarHBondContact O-N 3.05Å
125	P	34.2	Very low	48.4	Very low	117 Å²	117	123.9 Å²	123.9	76%	0.76	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-82.8	136.6	159	12.1	3.9	0	0	0	110.3	T123 S127	T123-P125 WeakPolarHBondContact O-CD 3.39Å; P125-S127 PolarHBondContact O-N 2.83Å
126	T	39.8	Very low	47.3	Very low	148 Å²	148	129.1 Å²	129.1	91%	0.908	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-58.9	116.4	174.3	33	0	0	0	0	112.3
127	S	40	Very low	46.6	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	73%	0.727	S	S	*	*			trans	-148.8	115.4	145.4	59.9	0	0	0	0	109.5	P125	P125-S127 PolarHBondContact O-N 2.83Å
128	N	32.4	Very low	46	Very low	159 Å²	159	131 Å²	131	85%	0.85	72%	0.718	S	S	*	*			trans	-70	150.4	175.9	-69.8	-43.8	0	0	0	110.2
129	P	37.4	Very low	46.1	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	73%	0.726	S	S	*	*				-122.5	138.3	121.8	18.9	-2.3	0	0	0	111.6	T131	P129-T131 PolarHBondContact O-N 2.79Å
130	V	43.7	Very low	47	Very low	142 Å²	142	131.8 Å²	131.8	86%	0.861	72%	0.721	S	S	*	*			trans	-58.1	126.8	-177.5	175.6	0	0	0	0	111.6
131	T	38.6	Very low	48.4	Very low	123 Å²	123	127.3 Å²	127.3	76%	0.755	70%	0.701	S	S	*	*			trans	-138.4	144.2	156	22.3	0	0	0	0	109.1	P129 K133	P129-T131 PolarHBondContact O-N 2.79Å; T131-K133 PolarHBondContact O-N 2.88Å
132	P	46.2	Very low	50.1	Low	121 Å²	121	127 Å²	127	79%	0.786	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-70.2	128.4	-159.6	26.8	-32.4	0	0	0	111.8
133	K	40.1	Very low	52.2	Low	158 Å²	158	124.1 Å²	124.1	69%	0.687	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-61.7	127.6	178.9	-78.1	164.1	158.3	-164.4	0	110.8	T131 Y136	T131-K133 PolarHBondContact O-N 2.88Å; K133-Y136 HydrophobicContact CB-CE2 4.09Å; K133-Y136 HydrophobicContact CD-CE2 3.75Å; K133-Y136 VanDerWaalsContact CE-OH 3.3Å; K133-Y136 WeakPolarHBondContact CE-OH 3.43Å; K133-Y136 HydrophobicContact CG-CE2 4Å
134	P	54.9	Low	54.3	Low	97 Å²	97	122.1 Å²	122.1	63%	0.63	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-67.4	154.7	164.5	28.9	-30.9	0	0	0	109.6	Y136	P134-Y136 PolarHBondContact O-N 3.19Å
135	P	62.8	Low	56.8	Low	87 Å²	87	116.9 Å²	116.9	57%	0.565	64%	0.642	S	S	*	*			trans	-66	113.8	-171	25	-32.3	0	0	0	110.9	Y137 N138	P135-Y137 PolarHBondContact O-N 3.31Å; P135-N138 PolarHBondContact O-N 3.48Å
136	Y	61.6	Low	59.3	Low	149 Å²	149	114.2 Å²	114.2	58%	0.584	63%	0.625	S	S	*	*	H	α-helix	trans	-51.6	-20.6	175.3	-79	-94.3	0	0	0	113.7	K133 P134 N138 I139 L140	K133-Y136 HydrophobicContact CB-CE2 4.09Å; K133-Y136 HydrophobicContact CD-CE2 3.75Å; K133-Y136 VanDerWaalsContact CE-OH 3.3Å; K133-Y136 WeakPolarHBondContact CE-OH 3.43Å; K133-Y136 HydrophobicContact CG-CE2 4Å; P134-Y136 PolarHBondContact O-N 3.19Å; Y136-N138 VanDerWaalsContact C-N 3.31Å; Y136-N138 PolarHBondContact O-N 3.41Å; Y136-I139 PolarHBondContact O-N 3.19Å; Y136-L140 PolarHBondContact O-N 2.89Å; Y136-L140 VanDerWaalsContact O-N 3.07Å
137	Y	66.8	Low	61.5	Low	164 Å²	164	112.3 Å²	112.3	64%	0.643	61%	0.609	S	S	*	*	H	α-helix	trans	-56.4	-41.6	178.2	-171.3	-97.9	0	0	0	112.9	P135 I139 L140 L141	P135-Y137 PolarHBondContact O-N 3.31Å; Y137-I139 PolarHBondContact O-N 3.31Å; Y137-L140 PolarHBondContact O-N 2.91Å; Y137-L141 HydrophobicContact CE1-CD2 4.3Å; Y137-L141 VanDerWaalsContact O-CB 3.29Å; Y137-L141 WeakPolarHBondContact O-CB 3.34Å; Y137-L141 PolarHBondContact O-N 3.43Å
138	N	62.7	Low	63.8	Low	75 Å²	75	113.6 Å²	113.6	40%	0.401	60%	0.604	S	S	.	*	H	α-helix	trans	-68.5	-39.7	-177	-68.8	-14.6	0	0	0	111.6	P135 Y136 L141 Y142	P135-N138 PolarHBondContact O-N 3.48Å; Y136-N138 VanDerWaalsContact C-N 3.31Å; Y136-N138 PolarHBondContact O-N 3.41Å; N138-L141 PolarHBondContact O-N 3.27Å; N138-Y142 HydrophobicContact CB-CD2 4.39Å; N138-Y142 HydrophobicContact CB-CE2 4.07Å; N138-Y142 WeakPolarHBondContact O-CD2 2.98Å; N138-Y142 PolarHBondContact O-N 2.87Å
139	I	69.1	Low	66.6	Low	118 Å²	118	111.1 Å²	111.1	61%	0.605	59%	0.59	S	S	*	*	H	α-helix	trans	-68.3	-39.9	178.6	-61.3	170.8	0	0	0	110.5	Y136 Y137 L141 S143	Y136-I139 PolarHBondContact O-N 3.19Å; Y137-I139 PolarHBondContact O-N 3.31Å; I139-L141 VanDerWaalsContact C-N 3.34Å; I139-S143 WeakPolarHBondContact O-CB 3.24Å; I139-S143 PolarHBondContact O-N 3.47Å; I139-S143 PolarHBondContact O-OG 3.42Å
140	L	69.8	Low	69.2	Low	106 Å²	106	110.2 Å²	110.2	56%	0.555	58%	0.578	S	S	*	*	H	α-helix	trans	-65.8	-39.8	176.8	-147.7	100.9	0	0	0	111.1	Y136 Y137 S143 L144	Y136-L140 PolarHBondContact O-N 2.89Å; Y136-L140 VanDerWaalsContact O-N 3.07Å; Y137-L140 PolarHBondContact O-N 2.91Å; L140-S143 PolarHBondContact O-OG 2.98Å; L140-L144 HydrophobicContact CD2-CD1 3.57Å; L140-L144 HydrophobicContact CG-CD1 3.61Å; L140-L144 HydrophobicContact CG-CG 4.47Å; L140-L144 VanDerWaalsContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CB 3.36Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 3.04Å
141	L	72.9	Confident	71.5	Confident	71 Å²	71	105.6 Å²	105.6	37%	0.372	55%	0.554	S	S	.	*	H	α-helix	trans	-66.6	-46.7	178	-170.9	71.2	0	0	0	111.8	Y137 N138 I139 S143 V145	Y137-L141 HydrophobicContact CE1-CD2 4.3Å; Y137-L141 VanDerWaalsContact O-CB 3.29Å; Y137-L141 WeakPolarHBondContact O-CB 3.34Å; Y137-L141 PolarHBondContact O-N 3.43Å; N138-L141 PolarHBondContact O-N 3.27Å; I139-L141 VanDerWaalsContact C-N 3.34Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 2.91Å; L141-V145 HydrophobicContact CD1-CG2 3.66Å; L141-V145 HydrophobicContact CG-CG2 4.14Å; L141-V145 VanDerWaalsContact O-CB 3.29Å; L141-V145 WeakPolarHBondContact O-CB 3.2Å; L141-V145 WeakPolarHBondContact O-CG2 3.46Å; L141-V145 PolarHBondContact O-N 3.23Å
142	Y	76.7	Confident	74.1	Confident	174 Å²	174	101.2 Å²	101.2	68%	0.682	53%	0.534	S	S	*	.	H	α-helix	trans	-70.1	-22.5	-178.7	-67.9	-55.1	0	0	0	114.1	N138 P146	N138-Y142 HydrophobicContact CB-CD2 4.39Å; N138-Y142 HydrophobicContact CB-CE2 4.07Å; N138-Y142 WeakPolarHBondContact O-CD2 2.98Å; N138-Y142 PolarHBondContact O-N 2.87Å; Y142-P146 WeakPolarHBondContact O-CD 3.27Å; Y142-P146 WeakPolarHBondContact O-CG 3.12Å
143	S	78.8	Confident	76.4	Confident	59 Å²	59	100.6 Å²	100.6	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-92.2	-40.9	177.9	53.8	0	0	0	0	113.1	I139 L140 L141 L147	I139-S143 WeakPolarHBondContact O-CB 3.24Å; I139-S143 PolarHBondContact O-N 3.47Å; I139-S143 PolarHBondContact O-OG 3.42Å; L140-S143 PolarHBondContact O-OG 2.98Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 2.91Å; S143-L147 WeakPolarHBondContact O-CD1 3.37Å; S143-L147 WeakPolarHBondContact O-CG 3.27Å
144	L	80.4	Confident	78.9	Confident	86 Å²	86	97.4 Å²	97.4	45%	0.45	52%	0.516	S	S	.	.	H	α-helix	trans	-79.4	-34.6	-176.6	-69.9	171.2	0	0	0	113.2	L140 L147 M148	L140-L144 HydrophobicContact CD2-CD1 3.57Å; L140-L144 HydrophobicContact CG-CD1 3.61Å; L140-L144 HydrophobicContact CG-CG 4.47Å; L140-L144 VanDerWaalsContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CB 3.36Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 3.04Å; L144-L147 PolarHBondContact O-N 2.66Å; L144-M148 WeakPolarHBondContact O-CB 3.32Å; L144-M148 VanDerWaalsContact O-CG 3.25Å; L144-M148 WeakPolarHBondContact O-CG 3.4Å; L144-M148 PolarHBondContact O-N 2.72Å
145	V	84.5	Confident	80.7	Confident	69 Å²	69	98.2 Å²	98.2	42%	0.418	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-45.5	-177.1	173.1	0	0	0	0	112.4	L141 L147 M148 L149	L141-V145 HydrophobicContact CD1-CG2 3.66Å; L141-V145 HydrophobicContact CG-CG2 4.14Å; L141-V145 VanDerWaalsContact O-CB 3.29Å; L141-V145 WeakPolarHBondContact O-CB 3.2Å; L141-V145 WeakPolarHBondContact O-CG2 3.46Å; L141-V145 PolarHBondContact O-N 3.23Å; V145-L147 PolarHBondContact O-N 2.86Å; V145-M148 PolarHBondContact O-N 3.48Å; V145-L149 HydrophobicContact CG1-CD1 4.24Å; V145-L149 WeakPolarHBondContact O-CB 3.49Å; V145-L149 PolarHBondContact O-N 3.41Å
146	P	85.3	Confident	82.1	Confident	62 Å²	62	97.9 Å²	97.9	40%	0.403	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-39.2	175.5	-21.5	33.3	0	0	0	112.7	Y142 L149 I150	Y142-P146 WeakPolarHBondContact O-CD 3.27Å; Y142-P146 WeakPolarHBondContact O-CG 3.12Å; P146-L149 WeakPolarHBondContact O-CB 3.46Å; P146-L149 PolarHBondContact O-N 3.13Å; P146-I150 VanDerWaalsContact O-CG1 3.25Å; P146-I150 WeakPolarHBondContact O-CG1 3.33Å; P146-I150 PolarHBondContact O-N 3.4Å
147	L	86.9	Confident	83.3	Confident	108 Å²	108	93.4 Å²	93.4	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-42.2	178.2	-72.4	170.7	0	0	0	111.7	S143 L144 V145 L149 I150 A151	S143-L147 WeakPolarHBondContact O-CD1 3.37Å; S143-L147 WeakPolarHBondContact O-CG 3.27Å; L144-L147 PolarHBondContact O-N 2.66Å; V145-L147 PolarHBondContact O-N 2.86Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-I150 PolarHBondContact O-N 3.46Å; L147-A151 WeakPolarHBondContact O-CB 3.4Å; L147-A151 PolarHBondContact O-N 2.63Å
148	M	89.1	Confident	84.3	Confident	137 Å²	137	90.8 Å²	90.8	68%	0.675	50%	0.499	S	S	*	.	H	α-helix	trans	-67.4	-35.5	175.5	-69.2	-63.4	-69.9	0	0	112.1	L144 V145 G152	L144-M148 WeakPolarHBondContact O-CB 3.32Å; L144-M148 VanDerWaalsContact O-CG 3.25Å; L144-M148 WeakPolarHBondContact O-CG 3.4Å; L144-M148 PolarHBondContact O-N 2.72Å; V145-M148 PolarHBondContact O-N 3.48Å; M148-G152 PolarHBondContact O-N 2.85Å
149	L	90.5	Very high	85.4	Confident	107 Å²	107	95 Å²	95	56%	0.56	51%	0.509	S	S	*	.	H	α-helix	trans	-65.4	-45.6	173.7	-108.1	153.1	0	0	0	111.8	V145 P146 L147 G152 I153	V145-L149 HydrophobicContact CG1-CD1 4.24Å; V145-L149 WeakPolarHBondContact O-CB 3.49Å; V145-L149 PolarHBondContact O-N 3.41Å; P146-L149 WeakPolarHBondContact O-CB 3.46Å; P146-L149 PolarHBondContact O-N 3.13Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L149-G152 PolarHBondContact O-N 3.39Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.35Å; L149-I153 PolarHBondContact O-N 3.04Å
150	I	92.3	Very high	86.1	Confident	102 Å²	102	92.6 Å²	92.6	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-45.7	177	-67.6	164.6	0	0	0	110.2	P146 L147 G152 I153 V154	P146-I150 VanDerWaalsContact O-CG1 3.25Å; P146-I150 WeakPolarHBondContact O-CG1 3.33Å; P146-I150 PolarHBondContact O-N 3.4Å; L147-I150 PolarHBondContact O-N 3.46Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 2.87Å; I150-I153 PolarHBondContact O-N 3.47Å; I150-V154 WeakPolarHBondContact O-CG2 3.33Å; I150-V154 PolarHBondContact O-N 2.98Å
151	A	91.8	Very high	86.6	Confident	44 Å²	44	94.2 Å²	94.2	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-59.9	-42	175.4	0	0	0	0	0	111.7	L147 V154 I155	L147-A151 WeakPolarHBondContact O-CB 3.4Å; L147-A151 PolarHBondContact O-N 2.63Å; A151-V154 PolarHBondContact O-N 2.8Å; A151-I155 WeakPolarHBondContact O-CB 3.35Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.21Å; A151-I155 PolarHBondContact O-N 3.28Å
152	G	93.8	Very high	86.9	Confident	32 Å²	32	97.5 Å²	97.5	33%	0.33	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-42.7	174.2	0	0	0	0	0	112.9	M148 L149 I150 I155 C156	M148-G152 PolarHBondContact O-N 2.85Å; L149-G152 PolarHBondContact O-N 3.39Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 2.87Å; G152-I155 PolarHBondContact O-N 3.04Å; G152-C156 VanDerWaalsContact O-CB 3.31Å; G152-C156 WeakPolarHBondContact O-CB 3.47Å; G152-C156 PolarHBondContact O-N 2.96Å
153	I	93.4	Very high	86.8	Confident	108 Å²	108	93.9 Å²	93.9	55%	0.554	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-43	175.7	-68.4	163.6	0	0	0	110.7	L149 I150 C156 A157	L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.35Å; L149-I153 PolarHBondContact O-N 3.04Å; I150-I153 PolarHBondContact O-N 3.47Å; I153-C156 PolarHBondContact O-N 2.8Å; I153-A157 WeakPolarHBondContact O-CB 3.24Å; I153-A157 PolarHBondContact O-N 2.75Å
154	V	93.1	Very high	86.2	Confident	90 Å²	90	97.2 Å²	97.2	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-42.8	177.4	172.6	0	0	0	0	111	I150 A151 A157 F158	I150-V154 WeakPolarHBondContact O-CG2 3.33Å; I150-V154 PolarHBondContact O-N 2.98Å; A151-V154 PolarHBondContact O-N 2.8Å; V154-A157 PolarHBondContact O-N 3.34Å; V154-F158 VanDerWaalsContact O-CB 3.24Å; V154-F158 WeakPolarHBondContact O-CB 3.47Å; V154-F158 PolarHBondContact O-N 3.43Å
155	I	92.8	Very high	84.8	Confident	114 Å²	114	99.5 Å²	99.5	59%	0.585	51%	0.511	S	S	*	.	H	α-helix	trans	-66.9	-43.2	177.1	-67.8	165.8	0	0	0	110.6	A151 G152 F158 W159	A151-I155 WeakPolarHBondContact O-CB 3.35Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.21Å; A151-I155 PolarHBondContact O-N 3.28Å; G152-I155 PolarHBondContact O-N 3.04Å; I155-F158 PolarHBondContact O-N 3.47Å; I155-W159 WeakPolarHBondContact O-CB 3.31Å; I155-W159 PolarHBondContact O-N 2.87Å
156	C	91.3	Very high	83.1	Confident	80 Å²	80	103 Å²	103	54%	0.541	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-43.1	174.7	-91.3	0	0	0	0	111.5	G152 I153 F158 W159 V160	G152-C156 VanDerWaalsContact O-CB 3.31Å; G152-C156 WeakPolarHBondContact O-CB 3.47Å; G152-C156 PolarHBondContact O-N 2.96Å; I153-C156 PolarHBondContact O-N 2.8Å; C156-F158 VanDerWaalsContact C-N 3.32Å; C156-F158 PolarHBondContact O-N 3.41Å; C156-W159 PolarHBondContact O-N 3.38Å; C156-V160 VanDerWaalsContact O-CB 3.25Å; C156-V160 WeakPolarHBondContact O-CB 3.19Å; C156-V160 WeakPolarHBondContact O-CG2 3.42Å; C156-V160 PolarHBondContact O-N 2.86Å
157	A	87.3	Confident	81.2	Confident	55 Å²	55	102.9 Å²	102.9	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-40.4	175.7	0	0	0	0	0	111.1	I153 V154 Y161	I153-A157 WeakPolarHBondContact O-CB 3.24Å; I153-A157 PolarHBondContact O-N 2.75Å; V154-A157 PolarHBondContact O-N 3.34Å; A157-Y161 WeakPolarHBondContact O-CB 3.45Å; A157-Y161 PolarHBondContact O-N 3.49Å
158	F	87.4	Confident	78.8	Confident	109 Å²	109	106.5 Å²	106.5	48%	0.478	54%	0.536	S	S	.	.	H	α-helix	trans	-67.4	-38.6	174.2	-177.3	-100.9	0	0	0	112.3	V154 I155 C156 Y161 R162	V154-F158 VanDerWaalsContact O-CB 3.24Å; V154-F158 WeakPolarHBondContact O-CB 3.47Å; V154-F158 PolarHBondContact O-N 3.43Å; I155-F158 PolarHBondContact O-N 3.47Å; C156-F158 VanDerWaalsContact C-N 3.32Å; C156-F158 PolarHBondContact O-N 3.41Å; F158-Y161 PolarHBondContact O-N 3.05Å; F158-R162 HydrophobicContact CE1-CG 4.22Å; F158-R162 HydrophobicContact CZ-CG 4.25Å; F158-R162 WeakPolarHBondContact O-CB 3.12Å; F158-R162 PolarHBondContact O-N 2.76Å
159	W	86.5	Confident	76.3	Confident	164 Å²	164	104.5 Å²	104.5	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-70.2	-43.1	177.6	-168.6	85.3	0	0	0	111.3	I155 C156 R162 H163	I155-W159 WeakPolarHBondContact O-CB 3.31Å; I155-W159 PolarHBondContact O-N 2.87Å; C156-W159 PolarHBondContact O-N 3.38Å; W159-R162 CarbonylContact O-C 3.41Å; W159-R162 PolarHBondContact O-N 3.43Å; W159-H163 HydrophobicContact CE3-CB 4.47Å; W159-H163 AromaticContact CH2-CD2 3.87Å; W159-H163 WeakPolarHBondContact O-CA 3.44Å; W159-H163 WeakPolarHBondContact O-CB 3.33Å; W159-H163 PolarHBondContact O-N 2.82Å
160	V	84	Confident	73.7	Confident	68 Å²	68	104.8 Å²	104.8	41%	0.412	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-43.8	172.1	170	0	0	0	0	109.9	C156 R162 H163 H164	C156-V160 VanDerWaalsContact O-CB 3.25Å; C156-V160 WeakPolarHBondContact O-CB 3.19Å; C156-V160 WeakPolarHBondContact O-CG2 3.42Å; C156-V160 PolarHBondContact O-N 2.86Å; V160-R162 PolarHBondContact O-N 3.2Å; V160-H163 PolarHBondContact O-N 3.15Å; V160-H164 VanDerWaalsContact CG1-CD2 3.47Å; V160-H164 WeakPolarHBondContact CG1-CD2 3.19Å; V160-H164 WeakPolarHBondContact O-CB 3.4Å; V160-H164 PolarHBondContact O-CD2 3.35Å; V160-H164 VanDerWaalsContact O-CD2 3.24Å; V160-H164 PolarHBondContact O-N 2.95Å
161	Y	79.6	Confident	70.9	Confident	139 Å²	139	106 Å²	106	55%	0.545	55%	0.554	S	S	.	*	H	α-helix	trans	-59.2	-46.5	173.5	174.1	-97.9	0	0	0	111.4	A157 F158 K165	A157-Y161 WeakPolarHBondContact O-CB 3.45Å; A157-Y161 PolarHBondContact O-N 3.49Å; F158-Y161 PolarHBondContact O-N 3.05Å; Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 WeakPolarHBondContact O-CB 3.34Å; Y161-K165 PolarHBondContact O-N 3.09Å; Y161-K165 PolarHBondContact OH-NZ 2.99Å
162	R	79.8	Confident	68.3	Low	140 Å²	140	111.2 Å²	111.2	53%	0.528	58%	0.575	S	S	.	*	H	α-helix	trans	-65.2	-40.4	174.9	-92.6	-164.4	151.2	160.5	-3.1	112.4	F158 W159 V160 K165 M166	F158-R162 HydrophobicContact CE1-CG 4.22Å; F158-R162 HydrophobicContact CZ-CG 4.25Å; F158-R162 WeakPolarHBondContact O-CB 3.12Å; F158-R162 PolarHBondContact O-N 2.76Å; W159-R162 CarbonylContact O-C 3.41Å; W159-R162 PolarHBondContact O-N 3.43Å; V160-R162 PolarHBondContact O-N 3.2Å; R162-K165 CarbonylContact O-C 3.5Å; R162-K165 PolarHBondContact O-N 3.37Å; R162-M166 VanDerWaalsContact O-CB 3.32Å; R162-M166 WeakPolarHBondContact O-CB 3.46Å; R162-M166 VanDerWaalsContact O-CG 3.27Å; R162-M166 WeakPolarHBondContact O-CG 3.01Å; R162-M166 PolarHBondContact O-N 3.08Å
163	H	73.8	Confident	65.5	Low	98 Å²	98	114.9 Å²	114.9	45%	0.454	59%	0.591	S	S	.	*	H	α-helix	trans	-71.9	-37.5	-178.8	-164.9	-77.8	0	0	0	111.1	W159 V160 M166 A167	W159-H163 HydrophobicContact CE3-CB 4.47Å; W159-H163 AromaticContact CH2-CD2 3.87Å; W159-H163 WeakPolarHBondContact O-CA 3.44Å; W159-H163 WeakPolarHBondContact O-CB 3.33Å; W159-H163 PolarHBondContact O-N 2.82Å; V160-H163 PolarHBondContact O-N 3.15Å; H163-M166 CarbonylContact O-C 3.48Å; H163-M166 PolarHBondContact O-N 3.45Å; H163-A167 WeakPolarHBondContact O-CA 3.03Å; H163-A167 WeakPolarHBondContact O-CB 3.26Å; H163-A167 PolarHBondContact O-N 2.67Å
164	H	66.6	Low	62.5	Low	129 Å²	129	115.7 Å²	115.7	60%	0.597	60%	0.603	S	S	*	*	H	α-helix	trans	-67.3	-36.7	170.1	-85.9	-87.6	0	0	0	111.8	V160 M166 A167 Y168	V160-H164 VanDerWaalsContact CG1-CD2 3.47Å; V160-H164 WeakPolarHBondContact CG1-CD2 3.19Å; V160-H164 WeakPolarHBondContact O-CB 3.4Å; V160-H164 PolarHBondContact O-CD2 3.35Å; V160-H164 VanDerWaalsContact O-CD2 3.24Å; V160-H164 PolarHBondContact O-N 2.95Å; H164-M166 VanDerWaalsContact C-N 3.27Å; H164-M166 PolarHBondContact O-N 3.04Å; H164-A167 PolarHBondContact O-N 2.93Å; H164-Y168 WeakPolarHBondContact O-CD2 3.48Å
165	K	51.8	Low	59.8	Low	135 Å²	135	116.6 Å²	116.6	59%	0.587	61%	0.609	S	S	*	*	H	α-helix	trans	-71.2	-21.7	174.2	-156.6	173.1	-174	175.8	0	112.9	Y161 R162	Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 WeakPolarHBondContact O-CB 3.34Å; Y161-K165 PolarHBondContact O-N 3.09Å; Y161-K165 PolarHBondContact OH-NZ 2.99Å; R162-K165 CarbonylContact O-C 3.5Å; R162-K165 PolarHBondContact O-N 3.37Å
166	M	49.3	Very low	57.1	Low	142 Å²	142	120.1 Å²	120.1	70%	0.7	62%	0.623	S	S	*	*	H	α-helix	trans	-99	-9.6	173.4	-70	-178.3	177.1	0	0	113.9	R162 H163 H164	R162-M166 VanDerWaalsContact O-CB 3.32Å; R162-M166 WeakPolarHBondContact O-CB 3.46Å; R162-M166 VanDerWaalsContact O-CG 3.27Å; R162-M166 WeakPolarHBondContact O-CG 3.01Å; R162-M166 PolarHBondContact O-N 3.08Å; H163-M166 CarbonylContact O-C 3.48Å; H163-M166 PolarHBondContact O-N 3.45Å; H164-M166 VanDerWaalsContact C-N 3.27Å; H164-M166 PolarHBondContact O-N 3.04Å
167	A	45.2	Very low	54.5	Low	59 Å²	59	124.8 Å²	124.8	49%	0.488	64%	0.636	S	S	.	*			trans	-93.4	3.4	176.5	0	0	0	0	0	112.9	H163 H164 P169	H163-A167 WeakPolarHBondContact O-CA 3.03Å; H163-A167 WeakPolarHBondContact O-CB 3.26Å; H163-A167 PolarHBondContact O-N 2.67Å; H164-A167 PolarHBondContact O-N 2.93Å; A167-P169 WeakPolarHBondContact O-CD 3.2Å
168	Y	36.8	Very low	51.9	Low	184 Å²	184	127 Å²	127	72%	0.722	66%	0.655	S	S	*	*	S	Bend	trans	-70.7	114.7	144.2	-67.5	-80.2	0	0	0	106.1	H164	H164-Y168 WeakPolarHBondContact O-CD2 3.48Å
169	P	34.5	Very low	49.2	Very low	96 Å²	96	131.1 Å²	131.1	62%	0.623	67%	0.673	S	S	*	*			trans	-54.1	148.8	168.3	-0.8	10.8	0	0	0	107.3	A167 V171	A167-P169 WeakPolarHBondContact O-CD 3.2Å; P169-V171 PolarHBondContact O-N 2.9Å
170	P	37.9	Very low	46.5	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	68%	0.683	S	S	*	*			trans	-51.1	115.9	155.3	25.2	-30.1	0	0	0	104.5	L172	P170-L172 PolarHBondContact O-N 3.34Å
171	V	33.2	Very low	44.3	Very low	127 Å²	127	136 Å²	136	77%	0.77	70%	0.701	S	S	*	*			trans	-58.8	103	171.9	171.7	0	0	0	0	103.9	P169 V173	P169-V171 PolarHBondContact O-N 2.9Å; V171-V173 PolarHBondContact O-N 2.8Å
172	L	35.6	Very low	41.8	Very low	153 Å²	153	138.4 Å²	138.4	80%	0.801	72%	0.72	S	S	*	*			trans	-55.7	98	166.5	-89.4	146.4	0	0	0	104.7	P170	P170-L172 PolarHBondContact O-N 3.34Å
173	V	35	Very low	40	Very low	110 Å²	110	139.8 Å²	139.8	67%	0.667	74%	0.735	S	S	*	*			trans	-54.7	127.3	162.5	-175.4	0	0	0	0	105.4	V171 T175	V171-V173 PolarHBondContact O-N 2.8Å; V173-T175 PolarHBondContact O-N 2.98Å
174	P	31.2	Very low	38.1	Very low	124 Å²	124	143.9 Å²	143.9	81%	0.805	76%	0.755	S	S	*	*			trans	-56.5	107.8	177.7	-24	33	0	0	0	110	Q176	P174-Q176 PolarHBondContact O-N 2.62Å
175	T	35.7	Very low	36.4	Very low	109 Å²	109	145.6 Å²	145.6	67%	0.669	77%	0.769	S	S	*	*			trans	-72.6	114.9	172	44.6	0	0	0	0	109	V173 H177	V173-T175 PolarHBondContact O-N 2.98Å; T175-H177 PolarHBondContact O-N 2.87Å
176	Q	37.1	Very low	35.9	Very low	188 Å²	188	144.9 Å²	144.9	88%	0.879	78%	0.778	S	S	*	*	S	Bend	trans	39.1	6.6	134.8	-105.8	173.1	-17.9	0	0	122.8	P174	P174-Q176 PolarHBondContact O-N 2.62Å
177	H	35.5	Very low	35.3	Very low	178 Å²	178	141.2 Å²	141.2	82%	0.824	78%	0.776	S	S	*	*			trans	-107.2	3.5	-174.1	-90.2	57.2	0	0	0	114.9	T175	T175-H177 PolarHBondContact O-N 2.87Å
178	A	32.8	Very low	34.9	Very low	103 Å²	103	144.3 Å²	144.3	85%	0.851	79%	0.791	S	S	*	*	S	Bend	trans	-103.5	18.5	178.4	0	0	0	0	0	113.9
179	F	31.5	Very low	34.7	Very low	195 Å²	195	141.3 Å²	141.3	86%	0.855	80%	0.795	S	S	*	*	S	Bend	trans	-101.1	10.1	-178.1	-157.3	-101.8	0	0	0	114.5
180	H	29.8	Very low	34.8	Very low	179 Å²	179	142 Å²	142	83%	0.829	80%	0.799	S	S	*	*	S	Bend	trans	-118.7	7.8	-174.8	-123.9	-61.5	0	0	0	117.7
181	I	36.7	Very low	34.8	Very low	156 Å²	156	142.8 Å²	142.8	80%	0.8	80%	0.804	S	S	*	*	S	Bend	trans	-138	94.2	172.3	-54.1	177.5	0	0	0	107.7
182	M	29	Very low	34.9	Very low	189 Å²	189	142.1 Å²	142.1	93%	0.931	81%	0.805	S	S	*	*			trans	-178.6	78.2	139.8	-73	-140.9	-178.1	0	0	107.1
183	I	40.8	Very low	35.1	Very low	168 Å²	168	140.4 Å²	140.4	86%	0.862	80%	0.803	S	S	*	*			trans	-89.4	105.5	152.5	-65.8	175.3	0	0	0	104.4
184	E	33.5	Very low	35.4	Very low	184 Å²	184	142.9 Å²	142.9	86%	0.86	81%	0.812	S	S	*	*			trans	177.3	121.5	136.5	-101.1	173.9	166.8	0	0	111.5
185	D	32.4	Very low	36.1	Very low	166 Å²	166	143.2 Å²	143.2	89%	0.888	81%	0.806	S	S	*	*			trans	76.2	135.4	155.4	-118.1	13	0	0	0	123.2
186	P	39.8	Very low	36.4	Very low	120 Å²	120	141 Å²	141	78%	0.779	81%	0.805	S	S	*	*			trans	-101.1	127.1	-165.4	38.1	-29.3	0	0	0	113.3
187	G	36.4	Very low	36.9	Very low	65 Å²	65	139.7 Å²	139.7	67%	0.67	80%	0.803	S	S	*	*			trans	-112.3	151.4	161.5	0	0	0	0	0	110.7
188	P	37.3	Very low	38.2	Very low	123 Å²	123	136.1 Å²	136.1	80%	0.799	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67	145.6	-172.4	28.9	-33.3	0	0	0	111.3
189	P	32.5	Very low	40.1	Very low	122 Å²	122	135.9 Å²	135.9	79%	0.792	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.8	137.1	-173.6	28.8	-33	0	0	0	111.3
190	P	37.5	Very low	42.7	Very low	111 Å²	111	128.7 Å²	128.7	72%	0.721	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-72.4	160	166.4	29.7	-30.9	0	0	0	111.1
191	P	37.4	Very low	45.6	Very low	128 Å²	128	126 Å²	126	83%	0.831	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-61.9	137.6	-171.6	24.9	-33.4	0	0	0	112
192	S	34.8	Very low	48.2	Very low	114 Å²	114	121.3 Å²	121.3	80%	0.797	71%	0.709	S	S	*	*			trans	-44.9	135.7	-172	-47.8	0	0	0	0	114.4
193	P	40.8	Very low	51.3	Low	116 Å²	116	115.6 Å²	115.6	75%	0.753	68%	0.682	S	S	*	*			trans	-76.8	141.2	177.3	29.8	-30.3	0	0	0	111.5
194	L	40.2	Very low	53.8	Low	162 Å²	162	111.6 Å²	111.6	85%	0.848	66%	0.659	S	S	*	*			trans	-43.2	159.2	168.7	-70.8	121.1	0	0	0	113.1	G196	L194-G196 PolarHBondContact O-N 2.79Å
195	L	45.6	Very low	56.6	Low	132 Å²	132	105.9 Å²	105.9	69%	0.691	64%	0.637	S	S	*	*	S	Bend	trans	-48.7	5.4	176.8	-139	85.2	0	0	0	117	L197	L195-L197 PolarHBondContact O-N 2.8Å
196	G	42	Very low	59.5	Low	62 Å²	62	102.4 Å²	102.4	64%	0.639	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	14.7	-165.8	0	0	0	0	0	118	L194	L194-G196 PolarHBondContact O-N 2.79Å
197	L	48	Very low	61.7	Low	160 Å²	160	98.2 Å²	98.2	84%	0.838	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	27.3	179.8	-72.9	171.2	0	0	0	114.1	L195	L195-L197 PolarHBondContact O-N 2.8Å
198	K	64	Low	64.1	Low	104 Å²	104	105.9 Å²	105.9	45%	0.452	60%	0.598	S	S	.	*	S	Bend	trans	-85.9	125.7	169.6	-67.9	179.7	177.8	-174.8	0	108.6	L200 L219 L220	K198-L200 PolarHBondContact O-N 2.63Å; K198-L219 HydrophobicContact CB-CD1 3.63Å; K198-L219 HydrophobicContact CD-CD1 4.44Å; K198-L220 HydrophobicContact CB-CD2 4.31Å; K198-L220 HydrophobicContact CB-CG 4.33Å; K198-L220 HydrophobicContact CD-CD1 3.7Å; K198-L220 HydrophobicContact CD-CG 4.13Å; K198-L220 HydrophobicContact CG-CD1 4.19Å; K198-L220 HydrophobicContact CG-CD2 4.26Å; K198-L220 HydrophobicContact CG-CG 4.27Å
199	P	73.1	Confident	65.7	Low	97 Å²	97	101.7 Å²	101.7	63%	0.63	58%	0.578	S	S	*	*			trans	-63.2	114.1	177.2	25.4	-32.1	0	0	0	108.9
200	L	85.6	Confident	67.9	Low	44 Å²	44	102.2 Å²	102.2	23%	0.23	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	120.6	172.6	-176.4	160.4	0	0	0	107.9	K198 L202 A217 Q218 L219 V226 W272 I274	K198-L200 PolarHBondContact O-N 2.63Å; L200-L202 HydrophobicContact CD2-CD2 3.87Å; L200-L202 HydrophobicContact CD2-CG 4.33Å; L200-A217 HydrophobicContact CD2-CB 4.01Å; L200-A217 HydrophobicContact CG-CB 4.41Å; L200-Q218 WeakPolarHBondContact CA-O 3.14Å; L200-L219 HydrophobicContact CB-CD1 4.05Å; L200-L219 HydrophobicContact CD1-CD1 4.47Å; L200-V226 HydrophobicContact CD1-CG2 3.94Å; L200-V226 HydrophobicContact CD2-CG2 4.2Å; L200-V226 HydrophobicContact CG-CG2 4.49Å; L200-W272 HydrophobicContact CD1-CE3 4.38Å; L200-W272 HydrophobicContact CD1-CZ3 4.01Å; L200-W272 HydrophobicContact CD2-CH2 4.04Å; L200-W272 HydrophobicContact CD2-CZ3 3.53Å; L200-W272 HydrophobicContact CG-CZ3 4.32Å; L200-I274 HydrophobicContact CD1-CD1 3.77Å; L200-I274 HydrophobicContact CD1-CG1 4.49Å
201	Q	90	Very high	69.9	Low	123 Å²	123	97.4 Å²	97.4	58%	0.575	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.3	178.8	-176	176	3.2	0	0	110	L203 A217 Q218	Q201-L203 HydrophobicContact CG-CD2 4.28Å; Q201-A217 CarbonylContact O-C 3.6Å; Q201-A217 WeakPolarHBondContact O-CA 3.16Å; Q201-A217 WeakPolarHBondContact O-CB 3.18Å; Q201-Q218 PolarHBondContact N-O 2.74Å; Q201-Q218 PolarHBondContact O-N 2.91Å
202	L	92.3	Very high	72.1	Confident	57 Å²	57	92 Å²	92	30%	0.298	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.8	169.9	-58.8	179.7	0	0	0	109.2	L200 W215 A217 V226 I228 W272	L200-L202 HydrophobicContact CD2-CD2 3.87Å; L200-L202 HydrophobicContact CD2-CG 4.33Å; L202-W215 HydrophobicContact CB-CD2 4.31Å; L202-W215 HydrophobicContact CB-CE3 3.83Å; L202-W215 HydrophobicContact CB-CZ3 4.29Å; L202-W215 HydrophobicContact CD1-CD2 4.25Å; L202-W215 HydrophobicContact CD1-CE3 4.47Å; L202-W215 HydrophobicContact CD2-CB 3.89Å; L202-W215 HydrophobicContact CD2-CG 4.16Å; L202-A217 HydrophobicContact CD2-CB 3.99Å; L202-V226 HydrophobicContact CD2-CB 3.98Å; L202-V226 HydrophobicContact CD2-CG1 4.17Å; L202-V226 HydrophobicContact CD2-CG2 4.13Å; L202-I228 HydrophobicContact CD1-CD1 3.93Å; L202-W272 HydrophobicContact CD1-CH2 4.2Å; L202-W272 HydrophobicContact CD1-CZ2 4.18Å; L202-W272 HydrophobicContact CD2-CH2 4.24Å; L202-W272 HydrophobicContact CG-CH2 4.26Å
203	L	93.1	Very high	74.8	Confident	69 Å²	69	88.3 Å²	88.3	36%	0.361	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-65.8	-177.3	-59.6	173.5	0	0	0	111	Q201 K216 Q218 Y223	Q201-L203 HydrophobicContact CG-CD2 4.28Å; L203-K216 WeakPolarHBondContact CA-O 3.22Å; L203-K216 WeakPolarHBondContact CB-O 3.36Å; L203-K216 HydrophobicContact CD1-CG 4.3Å; L203-K216 PolarHBondContact N-O 3.13Å; L203-Q218 HydrophobicContact CD1-CB 4.22Å; L203-Y223 HydrophobicContact CD1-CD1 3.92Å; L203-Y223 HydrophobicContact CD1-CE1 3.58Å
204	E	93.6	Very high	77.4	Confident	84 Å²	84	84.4 Å²	84.4	39%	0.393	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.5	-174.5	59.2	177.7	157.2	0	0	111.5	K206 W215 K216	E204-K206 VanDerWaalsContact CD-CE 3.41Å; E204-K206 HydrophobicContact CG-CD 4.11Å; E204-K206 HydrophobicContact CG-CG 4.5Å; E204-K206 PolarHBondContact O-N 2.91Å; E204-K206 WeakPolarHBondContact OE1-CE 3.24Å; E204-K206 IonicContact OE1-NZ 2.62Å; E204-K206 PolarHBondContact OE1-NZ 3.37Å; E204-K206 IonicContact OE2-NZ 2.9Å; E204-K206 PolarHBondContact OE2-NZ 3.33Å; E204-W215 CarbonylContact O-C 3.59Å; E204-W215 VanDerWaalsContact O-CA 3.3Å; E204-W215 WeakPolarHBondContact O-CA 3.35Å; E204-K216 HydrophobicContact CG-CB 3.89Å; E204-K216 HydrophobicContact CG-CD 4.41Å; E204-K216 PolarHBondContact N-O 3.24Å; E204-K216 PolarHBondContact O-N 3.1Å; E204-K216 WeakPolarHBondContact OE1-CD 3.45Å
205	V	93.5	Very high	80	Confident	64 Å²	64	79.9 Å²	79.9	39%	0.388	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.9	172.5	-179.4	0	0	0	0	108.6	W215	V205-W215 HydrophobicContact CG2-CD2 3.75Å; V205-W215 VanDerWaalsContact CG2-CE2 3.46Å; V205-W215 HydrophobicContact CG2-CE3 3.92Å; V205-W215 HydrophobicContact CG2-CH2 3.62Å; V205-W215 HydrophobicContact CG2-CZ2 3.41Å; V205-W215 VanDerWaalsContact CG2-CZ2 3.41Å; V205-W215 HydrophobicContact CG2-CZ3 3.87Å
206	K	91.8	Very high	82.4	Confident	94 Å²	94	74.5 Å²	74.5	41%	0.409	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-33.8	177.6	-71.7	-54.8	-155.8	-171.6	0	113.4	E204 V214 K216 F277	E204-K206 VanDerWaalsContact CD-CE 3.41Å; E204-K206 HydrophobicContact CG-CD 4.11Å; E204-K206 HydrophobicContact CG-CG 4.5Å; E204-K206 PolarHBondContact O-N 2.91Å; E204-K206 WeakPolarHBondContact OE1-CE 3.24Å; E204-K206 IonicContact OE1-NZ 2.62Å; E204-K206 PolarHBondContact OE1-NZ 3.37Å; E204-K206 IonicContact OE2-NZ 2.9Å; E204-K206 PolarHBondContact OE2-NZ 3.33Å; K206-V214 PolarHBondContact N-O 2.88Å; K206-K216 HydrophobicContact CG-CB 3.86Å; K206-F277 HydrophobicContact CG-CE2 3.94Å; K206-F277 HydrophobicContact CG-CZ 4.18Å
207	A	87.3	Confident	85	Confident	32 Å²	32	71.5 Å²	71.5	26%	0.264	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.5	178.6	0	0	0	0	0	111.9	V214	A207-V214 HydrophobicContact CB-CB 4.27Å; A207-V214 PolarHBondContact N-O 3.06Å; A207-V214 PolarHBondContact O-N 3.38Å
208	R	85.6	Confident	87.1	Confident	225 Å²	225	67 Å²	67	85%	0.849	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.4	160.9	-66.1	-177	-178.3	-169.6	0.3	106.5
209	G	72.1	Confident	88.4	Confident	36 Å²	36	63.5 Å²	63.5	37%	0.371	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-176.1	176.4	0	0	0	0	0	111.2	F211 G212	G209-F211 VanDerWaalsContact C-N 3.3Å; G209-F211 PolarHBondContact O-N 2.92Å; G209-G212 PolarHBondContact N-O 3.3Å
210	R	77.4	Confident	89	Confident	133 Å²	133	62.9 Å²	62.9	50%	0.502	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-37.5	178.4	-178.4	175.2	174.4	-172.1	-1	112.9
211	F	79.3	Confident	89.1	Confident	10 Å²	10	68.3 Å²	68.3	4%	0.044	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	7.8	-169.7	-50.8	-64.6	0	0	0	113.6	G209 F229 P230 D233 S236 L351	G209-F211 VanDerWaalsContact C-N 3.3Å; G209-F211 PolarHBondContact O-N 2.92Å; F211-F229 HydrophobicContact CB-CD1 3.66Å; F211-F229 HydrophobicContact CB-CE1 3.63Å; F211-F229 WeakPolarHBondContact O-CD1 3.17Å; F211-F229 WeakPolarHBondContact O-CG 3.45Å; F211-P230 WeakPolarHBondContact O-CD 3.46Å; F211-D233 HydrophobicContact CB-CB 4.19Å; F211-S236 WeakPolarHBondContact CD1-OG 3.36Å; F211-S236 WeakPolarHBondContact CE1-OG 3.32Å; F211-L351 HydrophobicContact CE2-CD2 4.38Å; F211-L351 HydrophobicContact CE2-CG 4.08Å; F211-L351 HydrophobicContact CZ-CD1 4.41Å; F211-L351 HydrophobicContact CZ-CD2 3.66Å; F211-L351 HydrophobicContact CZ-CG 3.81Å
212	G	84.5	Confident	89.2	Confident	15 Å²	15	69.3 Å²	69.3	16%	0.155	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-175.4	-174.5	0	0	0	0	0	115.3	G209 I228	G209-G212 PolarHBondContact N-O 3.3Å; G212-I228 WeakPolarHBondContact CA-O 3.31Å
213	C	90.9	Very high	89.4	Confident	35 Å²	35	72.1 Å²	72.1	24%	0.236	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.5	177.4	61.7	0	0	0	0	111	W215 K227 I228	C213-W215 PolarHBondContact SG-NE1 2.8Å; C213-K227 WeakPolarHBondContact O-CA 3.4Å; C213-I228 PolarHBondContact N-O 2.87Å; C213-I228 PolarHBondContact O-N 3.42Å
214	V	94.6	Very high	89.5	Confident	35 Å²	35	69 Å²	69	21%	0.212	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.9	178.4	-176.7	0	0	0	0	108.6	K206 A207 A225 K227	K206-V214 PolarHBondContact N-O 2.88Å; A207-V214 HydrophobicContact CB-CB 4.27Å; A207-V214 PolarHBondContact N-O 3.06Å; A207-V214 PolarHBondContact O-N 3.38Å; V214-A225 HydrophobicContact CG1-CB 4.12Å; V214-K227 HydrophobicContact CG2-CB 4.24Å; V214-K227 HydrophobicContact CG2-CD 4.38Å; V214-K227 HydrophobicContact CG2-CG 3.97Å
215	W	95.6	Very high	89.7	Confident	67 Å²	67	65.4 Å²	65.4	25%	0.254	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.9	176.4	-68.5	75.5	0	0	0	110.5	L202 E204 V205 C213 A225 V226	L202-W215 HydrophobicContact CB-CD2 4.31Å; L202-W215 HydrophobicContact CB-CE3 3.83Å; L202-W215 HydrophobicContact CB-CZ3 4.29Å; L202-W215 HydrophobicContact CD1-CD2 4.25Å; L202-W215 HydrophobicContact CD1-CE3 4.47Å; L202-W215 HydrophobicContact CD2-CB 3.89Å; L202-W215 HydrophobicContact CD2-CG 4.16Å; E204-W215 CarbonylContact O-C 3.59Å; E204-W215 VanDerWaalsContact O-CA 3.3Å; E204-W215 WeakPolarHBondContact O-CA 3.35Å; V205-W215 HydrophobicContact CG2-CD2 3.75Å; V205-W215 VanDerWaalsContact CG2-CE2 3.46Å; V205-W215 HydrophobicContact CG2-CE3 3.92Å; V205-W215 HydrophobicContact CG2-CH2 3.62Å; V205-W215 HydrophobicContact CG2-CZ2 3.41Å; V205-W215 VanDerWaalsContact CG2-CZ2 3.41Å; V205-W215 HydrophobicContact CG2-CZ3 3.87Å; C213-W215 PolarHBondContact SG-NE1 2.8Å; W215-A225 CarbonylContact O-C 3.33Å; W215-A225 WeakPolarHBondContact O-CA 3.41Å; W215-V226 HydrophobicContact CB-CB 4.45Å; W215-V226 PolarHBondContact N-O 2.81Å; W215-V226 PolarHBondContact O-N 2.77Å
216	K	96.6	Very high	89.8	Confident	18 Å²	18	62.3 Å²	62.3	8%	0.078	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.6	154.5	-175.1	179.6	-173.9	165.8	0	107	L203 E204 K206 Y223 F277 E279	L203-K216 WeakPolarHBondContact CA-O 3.22Å; L203-K216 WeakPolarHBondContact CB-O 3.36Å; L203-K216 HydrophobicContact CD1-CG 4.3Å; L203-K216 PolarHBondContact N-O 3.13Å; E204-K216 HydrophobicContact CG-CB 3.89Å; E204-K216 HydrophobicContact CG-CD 4.41Å; E204-K216 PolarHBondContact N-O 3.24Å; E204-K216 PolarHBondContact O-N 3.1Å; E204-K216 WeakPolarHBondContact OE1-CD 3.45Å; K206-K216 HydrophobicContact CG-CB 3.86Å; K216-Y223 HydrophobicContact CG-CD1 4.42Å; K216-F277 HydrophobicContact CB-CD2 4.38Å; K216-F277 HydrophobicContact CB-CE2 3.92Å; K216-F277 HydrophobicContact CB-CZ 4.04Å; K216-F277 HydrophobicContact CD-CD1 4.28Å; K216-F277 HydrophobicContact CD-CE1 3.59Å; K216-F277 HydrophobicContact CD-CE2 4.38Å; K216-F277 HydrophobicContact CD-CZ 3.67Å; K216-F277 VanDerWaalsContact CE-CE1 3.45Å; K216-F277 HydrophobicContact CG-CD1 4.13Å; K216-F277 HydrophobicContact CG-CD2 4.24Å; K216-F277 HydrophobicContact CG-CE1 3.83Å; K216-F277 HydrophobicContact CG-CE2 3.99Å; K216-F277 HydrophobicContact CG-CG 4.34Å; K216-F277 HydrophobicContact CG-CZ 3.78Å; K216-E279 WeakPolarHBondContact CE-OE1 3.45Å; K216-E279 IonicContact NZ-OE1 2.86Å; K216-E279 PolarHBondContact NZ-OE1 3.11Å; K216-E279 IonicContact NZ-OE2 3.77Å; K216-E279 PolarHBondContact NZ-OE2 3.48Å
217	A	95.4	Very high	90	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160	178.1	0	0	0	0	0	110.1	L200 Q201 L202 Y223 V224 V226	L200-A217 HydrophobicContact CD2-CB 4.01Å; L200-A217 HydrophobicContact CG-CB 4.41Å; Q201-A217 CarbonylContact O-C 3.6Å; Q201-A217 WeakPolarHBondContact O-CA 3.16Å; Q201-A217 WeakPolarHBondContact O-CB 3.18Å; L202-A217 HydrophobicContact CD2-CB 3.99Å; A217-Y223 CarbonylContact O-C 3.57Å; A217-Y223 WeakPolarHBondContact O-CA 3.25Å; A217-V224 HydrophobicContact CB-CG2 3.95Å; A217-V224 PolarHBondContact N-O 3.01Å; A217-V224 PolarHBondContact O-N 2.92Å; A217-V226 HydrophobicContact CB-CB 4.5Å; A217-V226 HydrophobicContact CB-CG2 3.57Å
218	Q	93.8	Very high	90.3	Very high	65 Å²	65	58 Å²	58	30%	0.304	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.3	172.9	-176.3	170.3	6.1	0	0	108.8	L200 Q201 L203 L220 Y223	L200-Q218 WeakPolarHBondContact CA-O 3.14Å; Q201-Q218 PolarHBondContact N-O 2.74Å; Q201-Q218 PolarHBondContact O-N 2.91Å; L203-Q218 HydrophobicContact CD1-CB 4.22Å; Q218-L220 VanDerWaalsContact CG-O 3.25Å; Q218-L220 WeakPolarHBondContact CG-O 3.5Å; Q218-L220 PolarHBondContact NE2-O 3.25Å; Q218-L220 VanDerWaalsContact NE2-O 3.11Å; Q218-Y223 HydrophobicContact CB-CD1 4.45Å
219	L	90.1	Very high	90.7	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.7	172.6	-179.7	67.8	0	0	0	107.3	K198 L200 N221 E222 V224 I258	K198-L219 HydrophobicContact CB-CD1 3.63Å; K198-L219 HydrophobicContact CD-CD1 4.44Å; L200-L219 HydrophobicContact CB-CD1 4.05Å; L200-L219 HydrophobicContact CD1-CD1 4.47Å; L219-N221 PolarHBondContact O-N 2.71Å; L219-E222 PolarHBondContact N-O 3.34Å; L219-E222 PolarHBondContact O-N 3.48Å; L219-E222 VanDerWaalsContact O-N 3.14Å; L219-V224 HydrophobicContact CB-CG1 3.85Å; L219-V224 HydrophobicContact CB-CG2 3.81Å; L219-V224 HydrophobicContact CD2-CG1 4.21Å; L219-I258 HydrophobicContact CD2-CG2 4.27Å
220	L	86.8	Confident	91.5	Very high	85 Å²	85	47.8 Å²	47.8	45%	0.445	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-117.3	-167.9	-55.5	172.8	0	0	0	111.4	K198 Q218	K198-L220 HydrophobicContact CB-CD2 4.31Å; K198-L220 HydrophobicContact CB-CG 4.33Å; K198-L220 HydrophobicContact CD-CD1 3.7Å; K198-L220 HydrophobicContact CD-CG 4.13Å; K198-L220 HydrophobicContact CG-CD1 4.19Å; K198-L220 HydrophobicContact CG-CD2 4.26Å; K198-L220 HydrophobicContact CG-CG 4.27Å; Q218-L220 VanDerWaalsContact CG-O 3.25Å; Q218-L220 WeakPolarHBondContact CG-O 3.5Å; Q218-L220 PolarHBondContact NE2-O 3.25Å; Q218-L220 VanDerWaalsContact NE2-O 3.11Å
221	N	86.9	Confident	92	Very high	158 Å²	158	46 Å²	46	85%	0.845	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	8.6	-179.3	-65.9	-13.3	0	0	0	112.7	L219	L219-N221 PolarHBondContact O-N 2.71Å
222	E	91.8	Very high	92.5	Very high	144 Å²	144	53.2 Å²	53.2	67%	0.673	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	142.5	-177.7	-63.1	-170.5	132.6	0	0	111.1	L219	L219-E222 PolarHBondContact N-O 3.34Å; L219-E222 PolarHBondContact O-N 3.48Å; L219-E222 VanDerWaalsContact O-N 3.14Å
223	Y	95.9	Very high	92.8	Very high	116 Å²	116	54.4 Å²	54.4	46%	0.455	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.5	169.3	-67.1	-55.5	0	0	0	110.2	L203 K216 A217 Q218 F277	L203-Y223 HydrophobicContact CD1-CD1 3.92Å; L203-Y223 HydrophobicContact CD1-CE1 3.58Å; K216-Y223 HydrophobicContact CG-CD1 4.42Å; A217-Y223 CarbonylContact O-C 3.57Å; A217-Y223 WeakPolarHBondContact O-CA 3.25Å; Q218-Y223 HydrophobicContact CB-CD1 4.45Å; Y223-F277 WeakPolarHBondContact O-CB 3.32Å
224	V	97	Very high	92.8	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.2	178	-58.4	0	0	0	0	110.1	A217 L219 V226 I258 I274 T275	A217-V224 HydrophobicContact CB-CG2 3.95Å; A217-V224 PolarHBondContact N-O 3.01Å; A217-V224 PolarHBondContact O-N 2.92Å; L219-V224 HydrophobicContact CB-CG1 3.85Å; L219-V224 HydrophobicContact CB-CG2 3.81Å; L219-V224 HydrophobicContact CD2-CG1 4.21Å; V224-V226 HydrophobicContact CG2-CG2 4.21Å; V224-I258 HydrophobicContact CB-CD1 4.14Å; V224-I258 HydrophobicContact CG1-CD1 3.52Å; V224-I274 HydrophobicContact CB-CG2 4.04Å; V224-I274 HydrophobicContact CG2-CG2 3.97Å; V224-T275 WeakPolarHBondContact CB-O 3.22Å
225	A	97.2	Very high	92.6	Very high	9 Å²	9	62.6 Å²	62.6	7%	0.074	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	172.3	0	0	0	0	0	108.6	V214 W215 I274 T275 F277	V214-A225 HydrophobicContact CG1-CB 4.12Å; W215-A225 CarbonylContact O-C 3.33Å; W215-A225 WeakPolarHBondContact O-CA 3.41Å; A225-I274 WeakPolarHBondContact O-CA 3.1Å; A225-T275 PolarHBondContact N-O 2.94Å; A225-T275 PolarHBondContact O-N 3.5Å; A225-F277 HydrophobicContact CB-CD2 4.12Å
226	V	96	Very high	92.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107	176.9	-175.8	0	0	0	0	108.1	L200 L202 W215 A217 V224 I228 W272 I274	L200-V226 HydrophobicContact CD1-CG2 3.94Å; L200-V226 HydrophobicContact CD2-CG2 4.2Å; L200-V226 HydrophobicContact CG-CG2 4.49Å; L202-V226 HydrophobicContact CD2-CB 3.98Å; L202-V226 HydrophobicContact CD2-CG1 4.17Å; L202-V226 HydrophobicContact CD2-CG2 4.13Å; W215-V226 HydrophobicContact CB-CB 4.45Å; W215-V226 PolarHBondContact N-O 2.81Å; W215-V226 PolarHBondContact O-N 2.77Å; A217-V226 HydrophobicContact CB-CB 4.5Å; A217-V226 HydrophobicContact CB-CG2 3.57Å; V224-V226 HydrophobicContact CG2-CG2 4.21Å; V226-I228 HydrophobicContact CG1-CD1 4.47Å; V226-I228 HydrophobicContact CG1-CG1 3.93Å; V226-W272 HydrophobicContact CG1-CB 4.34Å; V226-W272 HydrophobicContact CG1-CD2 3.76Å; V226-W272 HydrophobicContact CG1-CE3 3.61Å; V226-W272 HydrophobicContact CG1-CG 4.11Å; V226-W272 HydrophobicContact CG1-CZ3 4.18Å; V226-I274 HydrophobicContact CG2-CG1 4.4Å; V226-I274 HydrophobicContact CG2-CG2 4.44Å
227	K	95.6	Very high	92.4	Very high	16 Å²	16	59.8 Å²	59.8	7%	0.07	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.6	173.2	-168.5	175.4	176.6	-171.9	0	108.2	C213 V214 F229 E240 L273 D348	C213-K227 WeakPolarHBondContact O-CA 3.4Å; V214-K227 HydrophobicContact CG2-CB 4.24Å; V214-K227 HydrophobicContact CG2-CD 4.38Å; V214-K227 HydrophobicContact CG2-CG 3.97Å; K227-F229 HydrophobicContact CB-CE2 3.88Å; K227-F229 HydrophobicContact CB-CZ 4.46Å; K227-F229 HydrophobicContact CD-CE1 4.23Å; K227-F229 HydrophobicContact CD-CE2 3.67Å; K227-F229 HydrophobicContact CD-CZ 3.38Å; K227-F229 HydrophobicContact CG-CD2 4.16Å; K227-F229 HydrophobicContact CG-CE2 3.47Å; K227-F229 VanDerWaalsContact CG-CE2 3.47Å; K227-F229 HydrophobicContact CG-CZ 3.69Å; K227-E240 IonicContact NZ-OE1 3.45Å; K227-E240 PolarHBondContact NZ-OE1 2.93Å; K227-E240 IonicContact NZ-OE2 2.77Å; K227-E240 PolarHBondContact NZ-OE2 3.17Å; K227-L273 HydrophobicContact CB-CB 4.47Å; K227-L273 PolarHBondContact N-O 3.44Å; K227-L273 PolarHBondContact O-N 3.16Å; K227-D348 IonicContact NZ-OD1 2.72Å; K227-D348 PolarHBondContact NZ-OD1 3.31Å; K227-D348 IonicContact NZ-OD2 3.72Å; K227-D348 PolarHBondContact NZ-OD2 3.16Å
228	I	93.5	Very high	92.4	Very high	19 Å²	19	62 Å²	62	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120	-179.9	-53.2	179.1	0	0	0	108.1	L202 G212 C213 V226 D270 L271 W272	L202-I228 HydrophobicContact CD1-CD1 3.93Å; G212-I228 WeakPolarHBondContact CA-O 3.31Å; C213-I228 PolarHBondContact N-O 2.87Å; C213-I228 PolarHBondContact O-N 3.42Å; V226-I228 HydrophobicContact CG1-CD1 4.47Å; V226-I228 HydrophobicContact CG1-CG1 3.93Å; I228-D270 HydrophobicContact CG2-CB 4.23Å; I228-L271 WeakPolarHBondContact CA-O 3.48Å; I228-W272 HydrophobicContact CD1-CZ2 4.09Å; I228-W272 HydrophobicContact CG1-CD2 4.47Å; I228-W272 HydrophobicContact CG1-CG 4.34Å
229	F	92.9	Very high	92.4	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.2	-179.4	-58.6	-114	0	0	0	109.7	F211 K227 D233 W237 E240 L271 L273	F211-F229 HydrophobicContact CB-CD1 3.66Å; F211-F229 HydrophobicContact CB-CE1 3.63Å; F211-F229 WeakPolarHBondContact O-CD1 3.17Å; F211-F229 WeakPolarHBondContact O-CG 3.45Å; K227-F229 HydrophobicContact CB-CE2 3.88Å; K227-F229 HydrophobicContact CB-CZ 4.46Å; K227-F229 HydrophobicContact CD-CE1 4.23Å; K227-F229 HydrophobicContact CD-CE2 3.67Å; K227-F229 HydrophobicContact CD-CZ 3.38Å; K227-F229 HydrophobicContact CG-CD2 4.16Å; K227-F229 HydrophobicContact CG-CE2 3.47Å; K227-F229 VanDerWaalsContact CG-CE2 3.47Å; K227-F229 HydrophobicContact CG-CZ 3.69Å; F229-D233 HydrophobicContact CD1-CB 4.36Å; F229-W237 HydrophobicContact CB-CB 4.18Å; F229-W237 HydrophobicContact CD1-CB 3.87Å; F229-W237 HydrophobicContact CD2-CB 3.98Å; F229-W237 AromaticContact CD2-CD1 3.51Å; F229-W237 HydrophobicContact CD2-CG 4.12Å; F229-W237 HydrophobicContact CE1-CB 4.17Å; F229-W237 HydrophobicContact CE2-CB 4.26Å; F229-W237 AromaticContact CE2-CD1 3.67Å; F229-W237 HydrophobicContact CE2-CG 4.38Å; F229-W237 HydrophobicContact CG-CB 3.77Å; F229-W237 HydrophobicContact CG-CG 4.36Å; F229-W237 HydrophobicContact CZ-CB 4.34Å; F229-E240 VanDerWaalsContact CZ-OE2 3.28Å; F229-E240 WeakPolarHBondContact CZ-OE2 3.29Å; F229-L271 HydrophobicContact CB-CB 4.14Å; F229-L271 WeakPolarHBondContact CD2-O 3.15Å; F229-L271 PolarHBondContact N-O 3.06Å; F229-L271 PolarHBondContact O-N 3.13Å; F229-L273 HydrophobicContact CE2-CB 3.84Å
230	P	89.6	Confident	92.7	Very high	46 Å²	46	59.4 Å²	59.4	30%	0.299	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-67.5	156.5	166.9	31.5	-34.1	0	0	0	110.3	F211 Q232 D233	F211-P230 WeakPolarHBondContact O-CD 3.46Å; P230-Q232 HydrophobicContact CB-CG 4.01Å; P230-Q232 HydrophobicContact CG-CG 3.79Å; P230-Q232 PolarHBondContact O-N 2.88Å; P230-Q232 VanDerWaalsContact O-N 3.11Å; P230-D233 HydrophobicContact CG-CB 4.19Å; P230-D233 WeakPolarHBondContact CG-OD2 3.45Å; P230-D233 PolarHBondContact O-N 3.46Å
231	I	88.5	Confident	93.1	Very high	95 Å²	95	59.6 Å²	59.6	49%	0.487	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.9	-28.7	-176.7	-167.1	57.7	0	0	0	113.9	D233 K234 V269 L271	I231-D233 PolarHBondContact O-N 3.32Å; I231-K234 HydrophobicContact CD1-CB 4.43Å; I231-K234 HydrophobicContact CD1-CD 4.23Å; I231-K234 WeakPolarHBondContact O-CB 3.41Å; I231-K234 PolarHBondContact O-N 2.52Å; I231-V269 HydrophobicContact CD1-CB 4.2Å; I231-V269 HydrophobicContact CD1-CG1 4.46Å; I231-L271 HydrophobicContact CD1-CD1 4.37Å
232	Q	89.3	Confident	93.6	Very high	162 Å²	162	56.3 Å²	56.3	76%	0.757	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-62.7	-28.2	174.6	67.6	-154.8	28.6	0	0	113.1	P230 K234	P230-Q232 HydrophobicContact CB-CG 4.01Å; P230-Q232 HydrophobicContact CG-CG 3.79Å; P230-Q232 PolarHBondContact O-N 2.88Å; P230-Q232 VanDerWaalsContact O-N 3.11Å; Q232-K234 VanDerWaalsContact C-N 3.35Å
233	D	89.9	Confident	93.8	Very high	40 Å²	40	49.7 Å²	49.7	21%	0.214	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-98	19.1	179.2	-64.9	-42.5	0	0	0	112.1	F211 F229 P230 I231 Q235 S236 W237	F211-D233 HydrophobicContact CB-CB 4.19Å; F229-D233 HydrophobicContact CD1-CB 4.36Å; P230-D233 HydrophobicContact CG-CB 4.19Å; P230-D233 WeakPolarHBondContact CG-OD2 3.45Å; P230-D233 PolarHBondContact O-N 3.46Å; I231-D233 PolarHBondContact O-N 3.32Å; D233-Q235 PolarHBondContact O-N 3.29Å; D233-Q235 VanDerWaalsContact O-N 3.15Å; D233-S236 PolarHBondContact O-N 3.14Å; D233-W237 PolarHBondContact O-N 3.14Å; D233-W237 VanDerWaalsContact O-N 3.13Å
234	K	91.7	Very high	93.9	Very high	103 Å²	103	44.9 Å²	44.9	45%	0.448	22%	0.216	S	C	.	.	H	α-helix	trans	-53	-36.5	179.1	176.5	-178.2	174.3	-170.4	0	113.1	I231 Q232 S236 W237 Q238 L271	I231-K234 HydrophobicContact CD1-CB 4.43Å; I231-K234 HydrophobicContact CD1-CD 4.23Å; I231-K234 WeakPolarHBondContact O-CB 3.41Å; I231-K234 PolarHBondContact O-N 2.52Å; Q232-K234 VanDerWaalsContact C-N 3.35Å; K234-S236 VanDerWaalsContact C-N 3.35Å; K234-W237 PolarHBondContact O-N 3.36Å; K234-Q238 VanDerWaalsContact O-CB 3.28Å; K234-Q238 WeakPolarHBondContact O-CB 3.48Å; K234-Q238 PolarHBondContact O-N 2.83Å; K234-L271 HydrophobicContact CB-CD1 3.67Å; K234-L271 HydrophobicContact CG-CD1 3.84Å
235	Q	91.6	Very high	93.8	Very high	139 Å²	139	47.8 Å²	47.8	65%	0.65	24%	0.237	S	C	*	.	H	α-helix	trans	-65	-40.3	179.8	-171.9	59.6	31.5	0	0	111.6	D233 Q238 N239	D233-Q235 PolarHBondContact O-N 3.29Å; D233-Q235 VanDerWaalsContact O-N 3.15Å; Q235-Q238 PolarHBondContact O-N 2.95Å; Q235-N239 WeakPolarHBondContact O-CB 3.39Å; Q235-N239 PolarHBondContact O-N 2.68Å
236	S	92.4	Very high	93.8	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.112	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-40.9	177.2	-62.1	0	0	0	0	111.9	F211 D233 K234 Q238 N239 E240	F211-S236 WeakPolarHBondContact CD1-OG 3.36Å; F211-S236 WeakPolarHBondContact CE1-OG 3.32Å; D233-S236 PolarHBondContact O-N 3.14Å; K234-S236 VanDerWaalsContact C-N 3.35Å; S236-Q238 VanDerWaalsContact C-N 3.35Å; S236-N239 PolarHBondContact O-N 3.29Å; S236-E240 WeakPolarHBondContact O-CB 3.42Å; S236-E240 PolarHBondContact O-N 3.14Å
237	W	94.7	Very high	93.7	Very high	9 Å²	9	49.9 Å²	49.9	3%	0.034	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-45.4	172	173.7	84.9	0	0	0	111.8	F229 D233 K234 E240 Y241 A260 K262 L271 W272	F229-W237 HydrophobicContact CB-CB 4.18Å; F229-W237 HydrophobicContact CD1-CB 3.87Å; F229-W237 HydrophobicContact CD2-CB 3.98Å; F229-W237 AromaticContact CD2-CD1 3.51Å; F229-W237 HydrophobicContact CD2-CG 4.12Å; F229-W237 HydrophobicContact CE1-CB 4.17Å; F229-W237 HydrophobicContact CE2-CB 4.26Å; F229-W237 AromaticContact CE2-CD1 3.67Å; F229-W237 HydrophobicContact CE2-CG 4.38Å; F229-W237 HydrophobicContact CG-CB 3.77Å; F229-W237 HydrophobicContact CG-CG 4.36Å; F229-W237 HydrophobicContact CZ-CB 4.34Å; D233-W237 PolarHBondContact O-N 3.14Å; D233-W237 VanDerWaalsContact O-N 3.13Å; K234-W237 PolarHBondContact O-N 3.36Å; W237-E240 PolarHBondContact O-N 3.36Å; W237-Y241 WeakPolarHBondContact O-CB 3.33Å; W237-Y241 PolarHBondContact O-N 2.9Å; W237-A260 HydrophobicContact CZ2-CB 3.87Å; W237-K262 HydrophobicContact CH2-CD 4.21Å; W237-K262 HydrophobicContact CH2-CG 3.94Å; W237-K262 HydrophobicContact CZ2-CG 4.15Å; W237-K262 HydrophobicContact CZ3-CD 4.5Å; W237-L271 HydrophobicContact CB-CB 4.31Å; W237-L271 HydrophobicContact CB-CD1 4.16Å; W237-L271 HydrophobicContact CD2-CB 3.9Å; W237-L271 HydrophobicContact CD2-CD1 4.19Å; W237-L271 HydrophobicContact CD2-CD2 4.33Å; W237-L271 HydrophobicContact CD2-CG 4.38Å; W237-L271 HydrophobicContact CE3-CD1 4.23Å; W237-L271 HydrophobicContact CE3-CD2 4.31Å; W237-L271 HydrophobicContact CG-CB 3.71Å; W237-L271 HydrophobicContact CG-CD1 4.17Å; W237-L271 HydrophobicContact CG-CG 4.48Å; W237-W272 PolarHBondContact NE1-O 2.67Å
238	Q	94.8	Very high	93.7	Very high	46 Å²	46	49.6 Å²	49.6	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-44.7	179.1	-177.2	67.7	37.4	0	0	110.9	K234 Q235 S236 Y241 E242	K234-Q238 VanDerWaalsContact O-CB 3.28Å; K234-Q238 WeakPolarHBondContact O-CB 3.48Å; K234-Q238 PolarHBondContact O-N 2.83Å; Q235-Q238 PolarHBondContact O-N 2.95Å; S236-Q238 VanDerWaalsContact C-N 3.35Å; Q238-Y241 PolarHBondContact O-N 3.07Å; Q238-E242 HydrophobicContact CG-CG 4.48Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.36Å; Q238-E242 PolarHBondContact NE2-OE1 2.91Å; Q238-E242 WeakPolarHBondContact O-CB 3.4Å; Q238-E242 VanDerWaalsContact O-CG 3.31Å; Q238-E242 WeakPolarHBondContact O-CG 3.27Å; Q238-E242 PolarHBondContact O-N 3.43Å
239	N	94.4	Very high	93.9	Very high	37 Å²	37	49.3 Å²	49.3	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-47.4	177.6	-166.1	76.4	0	0	0	111.6	Q235 S236 Y241 E242 V243 F349 A352	Q235-N239 WeakPolarHBondContact O-CB 3.39Å; Q235-N239 PolarHBondContact O-N 2.68Å; S236-N239 PolarHBondContact O-N 3.29Å; N239-Y241 PolarHBondContact O-N 3.09Å; N239-E242 PolarHBondContact O-N 3.17Å; N239-V243 WeakPolarHBondContact O-CB 3.46Å; N239-V243 VanDerWaalsContact O-CG2 3.27Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.17Å; N239-F349 PolarHBondContact ND2-O 3Å; N239-A352 PolarHBondContact ND2-N 3.28Å; N239-A352 PolarHBondContact ND2-O 3.14Å; N239-A352 PolarHBondContact OD1-O 3.18Å
240	E	96	Very high	94	Very high	4 Å²	4	58 Å²	58	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-41.8	179	-167.7	165.3	-170.7	0	0	111.4	K227 F229 S236 W237 Y244 L273 D348 F349	K227-E240 IonicContact NZ-OE1 3.45Å; K227-E240 PolarHBondContact NZ-OE1 2.93Å; K227-E240 IonicContact NZ-OE2 2.77Å; K227-E240 PolarHBondContact NZ-OE2 3.17Å; F229-E240 VanDerWaalsContact CZ-OE2 3.28Å; F229-E240 WeakPolarHBondContact CZ-OE2 3.29Å; S236-E240 WeakPolarHBondContact O-CB 3.42Å; S236-E240 PolarHBondContact O-N 3.14Å; W237-E240 PolarHBondContact O-N 3.36Å; E240-Y244 HydrophobicContact CG-CD2 3.9Å; E240-Y244 HydrophobicContact CG-CE2 3.67Å; E240-Y244 WeakPolarHBondContact O-CD2 3.27Å; E240-Y244 PolarHBondContact O-N 3.23Å; E240-L273 HydrophobicContact CB-CD1 3.84Å; E240-L273 HydrophobicContact CG-CD1 3.62Å; E240-D348 WeakPolarHBondContact OE1-CA 3.33Å; E240-F349 HydrophobicContact CG-CB 4.07Å; E240-F349 PolarHBondContact OE1-N 3.34Å
241	Y	96.4	Very high	94.4	Very high	90 Å²	90	58.1 Å²	58.1	35%	0.353	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-45.2	173.9	173.7	-117.8	0	0	0	112.7	W237 Q238 N239 Y244 S245 F257 A260	W237-Y241 WeakPolarHBondContact O-CB 3.33Å; W237-Y241 PolarHBondContact O-N 2.9Å; Q238-Y241 PolarHBondContact O-N 3.07Å; N239-Y241 PolarHBondContact O-N 3.09Å; Y241-Y244 PolarHBondContact O-N 3.13Å; Y241-S245 WeakPolarHBondContact CE2-OG 3.4Å; Y241-S245 VanDerWaalsContact O-CB 3.31Å; Y241-S245 WeakPolarHBondContact O-CB 3.33Å; Y241-S245 PolarHBondContact O-N 3.2Å; Y241-S245 PolarHBondContact O-OG 3.29Å; Y241-F257 HydrophobicContact CD2-CE2 4.36Å; Y241-F257 AromaticContact CD2-CZ 3.77Å; Y241-F257 HydrophobicContact CD2-CZ 3.77Å; Y241-F257 HydrophobicContact CE2-CE1 4.46Å; Y241-F257 AromaticContact CE2-CZ 3.95Å; Y241-F257 HydrophobicContact CE2-CZ 3.95Å; Y241-A260 HydrophobicContact CD2-CB 3.58Å; Y241-A260 HydrophobicContact CE2-CB 4.01Å; Y241-A260 HydrophobicContact CG-CB 4.24Å
242	E	95.9	Very high	94.9	Very high	89 Å²	89	58.3 Å²	58.3	42%	0.416	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-44.5	178.1	-78.5	177	-166.3	0	0	111.7	Q238 N239 S245 L246	Q238-E242 HydrophobicContact CG-CG 4.48Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.36Å; Q238-E242 PolarHBondContact NE2-OE1 2.91Å; Q238-E242 WeakPolarHBondContact O-CB 3.4Å; Q238-E242 VanDerWaalsContact O-CG 3.31Å; Q238-E242 WeakPolarHBondContact O-CG 3.27Å; Q238-E242 PolarHBondContact O-N 3.43Å; N239-E242 PolarHBondContact O-N 3.17Å; E242-S245 PolarHBondContact O-N 3.44Å; E242-S245 VanDerWaalsContact O-N 3.14Å; E242-L246 PolarHBondContact O-N 3.4Å
243	V	96.8	Very high	95.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-48.9	177	170.4	0	0	0	0	110.2	N239 S245 L246 M249 I326 F349 A352	N239-V243 WeakPolarHBondContact O-CB 3.46Å; N239-V243 VanDerWaalsContact O-CG2 3.27Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.17Å; V243-S245 PolarHBondContact O-N 3Å; V243-L246 WeakPolarHBondContact O-CB 3.42Å; V243-L246 PolarHBondContact O-N 2.84Å; V243-M249 HydrophobicContact CG1-CE 3.79Å; V243-M249 VanDerWaalsContact O-CG 3.28Å; V243-M249 WeakPolarHBondContact O-CG 3.32Å; V243-I326 HydrophobicContact CG1-CD1 4.43Å; V243-F349 HydrophobicContact CB-CB 4.01Å; V243-F349 HydrophobicContact CG1-CB 3.71Å; V243-F349 HydrophobicContact CG1-CD1 4Å; V243-F349 HydrophobicContact CG1-CG 3.82Å; V243-A352 HydrophobicContact CG1-CB 4.47Å; V243-A352 HydrophobicContact CG2-CB 4.1Å
244	Y	97.3	Very high	95.8	Very high	14 Å²	14	49 Å²	49	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-25.2	175.9	-81.4	-55.1	0	0	0	114.3	E240 Y241 L246 L255 F257 L273 T275 F349	E240-Y244 HydrophobicContact CG-CD2 3.9Å; E240-Y244 HydrophobicContact CG-CE2 3.67Å; E240-Y244 WeakPolarHBondContact O-CD2 3.27Å; E240-Y244 PolarHBondContact O-N 3.23Å; Y241-Y244 PolarHBondContact O-N 3.13Å; Y244-L246 VanDerWaalsContact C-N 3.34Å; Y244-L255 VanDerWaalsContact CE1-O 3.26Å; Y244-L255 WeakPolarHBondContact CE1-O 3.36Å; Y244-F257 HydrophobicContact CD1-CB 3.57Å; Y244-F257 HydrophobicContact CD1-CG 4.23Å; Y244-F257 HydrophobicContact CD2-CB 4.26Å; Y244-F257 AromaticContact CD2-CD2 3.7Å; Y244-F257 HydrophobicContact CD2-CD2 3.7Å; Y244-F257 HydrophobicContact CD2-CE2 4.36Å; Y244-F257 HydrophobicContact CD2-CG 4.2Å; Y244-F257 HydrophobicContact CE1-CB 4.01Å; Y244-F257 HydrophobicContact CE2-CD2 4.29Å; Y244-F257 HydrophobicContact CG-CB 3.7Å; Y244-F257 AromaticContact CG-CD2 3.81Å; Y244-F257 HydrophobicContact CG-CD2 3.81Å; Y244-F257 AromaticContact CG-CG 3.83Å; Y244-F257 HydrophobicContact CG-CG 3.83Å; Y244-L273 HydrophobicContact CD2-CD1 4.35Å; Y244-L273 HydrophobicContact CD2-CD2 4.3Å; Y244-L273 HydrophobicContact CE2-CD2 3.9Å; Y244-T275 HydrophobicContact CE2-CG2 4.4Å; Y244-F349 HydrophobicContact CD1-CD2 4.21Å; Y244-F349 HydrophobicContact CD1-CE2 4.24Å; Y244-F349 HydrophobicContact CD2-CD2 4.36Å; Y244-F349 AromaticContact CE1-CD2 3.6Å; Y244-F349 HydrophobicContact CE1-CD2 3.6Å; Y244-F349 AromaticContact CE1-CE2 3.38Å; Y244-F349 HydrophobicContact CE1-CE2 3.38Å; Y244-F349 AromaticContact CE2-CD2 3.76Å; Y244-F349 HydrophobicContact CE2-CD2 3.76Å; Y244-F349 HydrophobicContact CE2-CE2 4.29Å; Y244-F349 AromaticContact CZ-CD2 3.35Å; Y244-F349 AromaticContact CZ-CE2 3.42Å; Y244-F349 VanDerWaalsContact CZ-CE2 3.42Å; Y244-F349 WeakPolarHBondContact OH-CE2 3.47Å
245	S	95.9	Very high	96.1	Very high	64 Å²	64	44.5 Å²	44.5	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.5	-179.6	-57.8	0	0	0	0	113.6	Y241 E242 V243	Y241-S245 WeakPolarHBondContact CE2-OG 3.4Å; Y241-S245 VanDerWaalsContact O-CB 3.31Å; Y241-S245 WeakPolarHBondContact O-CB 3.33Å; Y241-S245 PolarHBondContact O-N 3.2Å; Y241-S245 PolarHBondContact O-OG 3.29Å; E242-S245 PolarHBondContact O-N 3.44Å; E242-S245 VanDerWaalsContact O-N 3.14Å; V243-S245 PolarHBondContact O-N 3Å
246	L	95.6	Very high	96.4	Very high	25 Å²	25	43.1 Å²	43.1	13%	0.131	21%	0.211	C	C	.	.	S	Bend	trans	-66.9	149.7	175.6	-67.1	169.2	0	0	0	111.2	E242 V243 Y244 M249 P324 I326 K354	E242-L246 PolarHBondContact O-N 3.4Å; V243-L246 WeakPolarHBondContact O-CB 3.42Å; V243-L246 PolarHBondContact O-N 2.84Å; Y244-L246 VanDerWaalsContact C-N 3.34Å; L246-M249 HydrophobicContact CB-CG 3.74Å; L246-M249 WeakPolarHBondContact O-CB 3.21Å; L246-M249 WeakPolarHBondContact O-CG 3.31Å; L246-M249 PolarHBondContact O-N 2.94Å; L246-P324 HydrophobicContact CD1-CG 4.06Å; L246-P324 HydrophobicContact CD2-CG 4.4Å; L246-I326 HydrophobicContact CD1-CD1 3.65Å; L246-I326 HydrophobicContact CD1-CG1 4.18Å; L246-K354 HydrophobicContact CD1-CB 4.33Å; L246-K354 HydrophobicContact CD1-CD 4.15Å; L246-K354 HydrophobicContact CD2-CD 4.06Å
247	P	95.7	Very high	96.6	Very high	28 Å²	28	45.1 Å²	45.1	18%	0.182	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	142.2	172.7	-26.5	36.3	0	0	0	111.7	M249 D320 K323	P247-M249 VanDerWaalsContact C-N 3.26Å; P247-M249 PolarHBondContact O-N 3.08Å; P247-D320 WeakPolarHBondContact CA-OD2 3.43Å; P247-D320 HydrophobicContact CB-CB 4.42Å; P247-D320 VanDerWaalsContact CG-O 3.31Å; P247-D320 WeakPolarHBondContact CG-O 3.34Å; P247-K323 WeakPolarHBondContact O-CB 3.45Å; P247-K323 VanDerWaalsContact O-CG 3.32Å; P247-K323 WeakPolarHBondContact O-CG 3.43Å
248	G	94.9	Very high	96.6	Very high	9 Å²	9	47.4 Å²	47.4	9%	0.093	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	6.4	176.7	0	0	0	0	0	115.9	K250 Y310 D320	G248-K250 PolarHBondContact O-N 3.12Å; G248-Y310 WeakPolarHBondContact O-CE1 3.46Å; G248-Y310 PolarHBondContact O-OH 3.06Å; G248-D320 PolarHBondContact N-OD2 3.27Å
249	M	96.7	Very high	96.5	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.069	23%	0.226	C	C	.	.			trans	-74.3	6	-176.5	-76.7	-67	-59.9	0	0	115.9	V243 L246 P247 I254 L311 I326	V243-M249 HydrophobicContact CG1-CE 3.79Å; V243-M249 VanDerWaalsContact O-CG 3.28Å; V243-M249 WeakPolarHBondContact O-CG 3.32Å; L246-M249 HydrophobicContact CB-CG 3.74Å; L246-M249 WeakPolarHBondContact O-CB 3.21Å; L246-M249 WeakPolarHBondContact O-CG 3.31Å; L246-M249 PolarHBondContact O-N 2.94Å; P247-M249 VanDerWaalsContact C-N 3.26Å; P247-M249 PolarHBondContact O-N 3.08Å; M249-I254 HydrophobicContact CE-CG2 4.3Å; M249-L311 HydrophobicContact CE-CD1 3.97Å; M249-L311 HydrophobicContact SD-CD1 4.29Å; M249-I326 HydrophobicContact CE-CD1 4.34Å; M249-I326 HydrophobicContact SD-CD1 3.53Å; M249-I326 VanDerWaalsContact SD-CD1 3.53Å
250	K	96.3	Very high	96.5	Very high	182 Å²	182	45.7 Å²	45.7	79%	0.791	23%	0.23	S	C	*	.			trans	-95.8	107.6	173.9	-174.4	178.8	179.8	179.2	0	110.4	G248	G248-K250 PolarHBondContact O-N 3.12Å
251	H	98	Very high	96.2	Very high	49 Å²	49	49 Å²	49	23%	0.227	25%	0.246	C	C	.	.			trans	-141.9	155.2	178.1	-178.5	-100.1	0	0	0	110.9	N253 I254 Y310	H251-N253 PolarHBondContact CE1-OD1 3.25Å; H251-N253 VanDerWaalsContact CE1-OD1 3.23Å; H251-N253 PolarHBondContact ND1-N 3.4Å; H251-N253 PolarHBondContact O-N 3.26Å; H251-I254 HydrophobicContact CB-CB 4.16Å; H251-I254 HydrophobicContact CB-CG1 3.9Å; H251-I254 PolarHBondContact O-N 2.84Å; H251-I254 VanDerWaalsContact O-O 3.06Å; H251-Y310 HydrophobicContact CB-CD1 3.54Å; H251-Y310 HydrophobicContact CB-CE1 3.54Å; H251-Y310 HydrophobicContact CB-CG 4.16Å; H251-Y310 AromaticContact CD2-CD2 3.77Å; H251-Y310 AromaticContact CD2-CG 3.76Å; H251-Y310 AromaticContact CG-CD1 3.67Å; H251-Y310 AromaticContact CG-CG 3.77Å
252	E	98.2	Very high	95.8	Very high	100 Å²	100	50.3 Å²	50.3	47%	0.467	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.5	-177.8	-172.8	-177.7	177.8	0	0	112.2	K339 T343	E252-K339 WeakPolarHBondContact O-CE 3.48Å; E252-K339 PolarHBondContact O-NZ 3Å; E252-T343 HydrophobicContact CG-CG2 4.34Å
253	N	98.8	Very high	95.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	18.9	-176.6	-51	109.8	0	0	0	113.4	H251 T303 R306 G307 T343 A344 C345 I346	H251-N253 PolarHBondContact CE1-OD1 3.25Å; H251-N253 VanDerWaalsContact CE1-OD1 3.23Å; H251-N253 PolarHBondContact ND1-N 3.4Å; H251-N253 PolarHBondContact O-N 3.26Å; N253-T303 WeakPolarHBondContact CB-O 3.27Å; N253-T303 VanDerWaalsContact ND2-CB 3.33Å; N253-T303 WeakPolarHBondContact ND2-CB 3.16Å; N253-T303 PolarHBondContact ND2-O 2.73Å; N253-R306 WeakPolarHBondContact OD1-CD 3.39Å; N253-G307 VanDerWaalsContact CB-CA 3.45Å; N253-T343 VanDerWaalsContact ND2-CG2 3.3Å; N253-T343 WeakPolarHBondContact ND2-CG2 3.43Å; N253-A344 WeakPolarHBondContact CA-O 3.25Å; N253-A344 WeakPolarHBondContact CB-O 3.35Å; N253-A344 PolarHBondContact ND2-O 3.04Å; N253-C345 CarbonylContact O-C 3.58Å; N253-C345 WeakPolarHBondContact O-CA 3.49Å; N253-I346 PolarHBondContact O-N 3.47Å
254	I	98.7	Very high	94.1	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-117.9	133	167.9	-63	-61.4	0	0	0	107	M249 H251 Q256 Y310 L311 I346 F349	M249-I254 HydrophobicContact CE-CG2 4.3Å; H251-I254 HydrophobicContact CB-CB 4.16Å; H251-I254 HydrophobicContact CB-CG1 3.9Å; H251-I254 PolarHBondContact O-N 2.84Å; H251-I254 VanDerWaalsContact O-O 3.06Å; I254-Q256 PolarHBondContact O-N 3.24Å; I254-Y310 HydrophobicContact CG1-CD1 4.24Å; I254-L311 HydrophobicContact CD1-CB 4.31Å; I254-L311 HydrophobicContact CD1-CD1 4.41Å; I254-I346 HydrophobicContact CD1-CB 4.07Å; I254-I346 HydrophobicContact CD1-CG1 4.38Å; I254-F349 HydrophobicContact CD1-CZ 4.31Å; I254-F349 HydrophobicContact CG2-CE2 4.15Å; I254-F349 HydrophobicContact CG2-CZ 3.86Å
255	L	98.5	Very high	92.8	Very high	10 Å²	10	57.8 Å²	57.8	5%	0.052	31%	0.308	C	S	.	.			trans	-56.9	126.3	-178.1	176.3	60.9	0	0	0	110.3	Y244 F257 T275 A276 L337 I346 A347	Y244-L255 VanDerWaalsContact CE1-O 3.26Å; Y244-L255 WeakPolarHBondContact CE1-O 3.36Å; L255-F257 PolarHBondContact O-N 3.31Å; L255-T275 HydrophobicContact CD2-CG2 3.98Å; L255-T275 HydrophobicContact CG-CG2 4.25Å; L255-A276 HydrophobicContact CD1-CB 4.3Å; L255-L337 HydrophobicContact CD1-CD1 3.95Å; L255-L337 HydrophobicContact CD2-CD1 3.84Å; L255-L337 HydrophobicContact CG-CD1 4.45Å; L255-I346 WeakPolarHBondContact CB-O 3.36Å; L255-I346 PolarHBondContact N-O 3.49Å; L255-A347 HydrophobicContact CB-CB 3.97Å; L255-A347 HydrophobicContact CD2-CB 3.55Å; L255-A347 HydrophobicContact CG-CB 4.39Å
256	Q	97.9	Very high	91.5	Very high	110 Å²	110	60.5 Å²	60.5	51%	0.514	33%	0.327	S	S	.	.			trans	-67.6	115.9	-175.3	-179.6	-179.1	6.7	0	0	111.6	I254 T275 A276	I254-Q256 PolarHBondContact O-N 3.24Å; Q256-T275 CarbonylContact O-C 3.59Å; Q256-T275 WeakPolarHBondContact O-CA 3.39Å; Q256-T275 VanDerWaalsContact O-CB 3.3Å; Q256-T275 WeakPolarHBondContact O-CB 3.47Å; Q256-A276 HydrophobicContact CB-CB 3.95Å; Q256-A276 PolarHBondContact O-N 3.46Å
257	F	97.1	Very high	90	Very high	57 Å²	57	65 Å²	65	25%	0.25	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.1	168	179.3	-110	0	0	0	111.3	Y241 Y244 L255 G259 A260 L273	Y241-F257 HydrophobicContact CD2-CE2 4.36Å; Y241-F257 AromaticContact CD2-CZ 3.77Å; Y241-F257 HydrophobicContact CD2-CZ 3.77Å; Y241-F257 HydrophobicContact CE2-CE1 4.46Å; Y241-F257 AromaticContact CE2-CZ 3.95Å; Y241-F257 HydrophobicContact CE2-CZ 3.95Å; Y244-F257 HydrophobicContact CD1-CB 3.57Å; Y244-F257 HydrophobicContact CD1-CG 4.23Å; Y244-F257 HydrophobicContact CD2-CB 4.26Å; Y244-F257 AromaticContact CD2-CD2 3.7Å; Y244-F257 HydrophobicContact CD2-CD2 3.7Å; Y244-F257 HydrophobicContact CD2-CE2 4.36Å; Y244-F257 HydrophobicContact CD2-CG 4.2Å; Y244-F257 HydrophobicContact CE1-CB 4.01Å; Y244-F257 HydrophobicContact CE2-CD2 4.29Å; Y244-F257 HydrophobicContact CG-CB 3.7Å; Y244-F257 AromaticContact CG-CD2 3.81Å; Y244-F257 HydrophobicContact CG-CD2 3.81Å; Y244-F257 AromaticContact CG-CG 3.83Å; Y244-F257 HydrophobicContact CG-CG 3.83Å; L255-F257 PolarHBondContact O-N 3.31Å; F257-G259 WeakPolarHBondContact CE2-O 3.4Å; F257-G259 VanDerWaalsContact CZ-CA 3.43Å; F257-A260 HydrophobicContact CE2-CB 4.16Å; F257-A260 HydrophobicContact CZ-CB 4.01Å; F257-L273 HydrophobicContact CD2-CD2 4.31Å; F257-L273 HydrophobicContact CD2-CG 4.47Å; F257-L273 HydrophobicContact CE2-CD2 4.43Å; F257-L273 HydrophobicContact CE2-CG 4.1Å
258	I	95.3	Very high	88.8	Confident	57 Å²	57	69.5 Å²	69.5	29%	0.292	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-42.4	178.5	-60.5	177.6	0	0	0	110.4	L219 V224 I274 T275	L219-I258 HydrophobicContact CD2-CG2 4.27Å; V224-I258 HydrophobicContact CB-CD1 4.14Å; V224-I258 HydrophobicContact CG1-CD1 3.52Å; I258-I274 HydrophobicContact CB-CB 4.34Å; I258-I274 HydrophobicContact CB-CG2 4.03Å; I258-I274 WeakPolarHBondContact CB-O 3.35Å; I258-I274 HydrophobicContact CD1-CG2 4.33Å; I258-I274 HydrophobicContact CG2-CG2 4.22Å; I258-I274 PolarHBondContact N-O 3.25Å; I258-T275 VanDerWaalsContact CD1-C 3.48Å; I258-T275 WeakPolarHBondContact CD1-O 3.23Å
259	G	92.9	Very high	88.3	Confident	13 Å²	13	70.9 Å²	70.9	13%	0.134	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	171.8	179.6	0	0	0	0	0	113	F257 I274	F257-G259 WeakPolarHBondContact CE2-O 3.4Å; F257-G259 VanDerWaalsContact CZ-CA 3.43Å; G259-I274 PolarHBondContact N-O 3.47Å; G259-I274 WeakPolarHBondContact O-CA 3.46Å; G259-I274 WeakPolarHBondContact O-CB 3.43Å; G259-I274 PolarHBondContact O-N 3.47Å
260	A	93.6	Very high	87.8	Confident	34 Å²	34	74 Å²	74	28%	0.281	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.2	172.9	0	0	0	0	0	108.9	W237 Y241 F257 W272	W237-A260 HydrophobicContact CZ2-CB 3.87Å; Y241-A260 HydrophobicContact CD2-CB 3.58Å; Y241-A260 HydrophobicContact CE2-CB 4.01Å; Y241-A260 HydrophobicContact CG-CB 4.24Å; F257-A260 HydrophobicContact CE2-CB 4.16Å; F257-A260 HydrophobicContact CZ-CB 4.01Å; A260-W272 CarbonylContact C-O 3.56Å; A260-W272 VanDerWaalsContact CA-O 3.27Å; A260-W272 WeakPolarHBondContact CA-O 3.38Å
261	E	88.8	Confident	87.6	Confident	75 Å²	75	65.3 Å²	65.3	35%	0.35	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.7	-176.4	-164.5	-178.3	179.3	0	0	110.2	R263 W272	E261-R263 HydrophobicContact CB-CG 4.32Å; E261-R263 HydrophobicContact CG-CG 3.76Å; E261-R263 IonicContact OE1-CZ 3.61Å; E261-R263 IonicContact OE1-NH1 2.65Å; E261-R263 PolarHBondContact OE1-NH1 2.93Å; E261-R263 WeakPolarHBondContact OE2-CD 3.28Å; E261-R263 IonicContact OE2-CZ 3.07Å; E261-R263 IonicContact OE2-NH1 2.65Å; E261-R263 PolarHBondContact OE2-NH1 3.3Å; E261-W272 HydrophobicContact CB-CB 4.39Å; E261-W272 PolarHBondContact N-O 2.67Å; E261-W272 PolarHBondContact O-N 2.73Å
262	K	87.9	Confident	87.5	Confident	117 Å²	117	64.1 Å²	64.1	51%	0.509	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.9	167.6	-57	-172.7	179	165.8	0	107.2	W237 V269 L271	W237-K262 HydrophobicContact CH2-CD 4.21Å; W237-K262 HydrophobicContact CH2-CG 3.94Å; W237-K262 HydrophobicContact CZ2-CG 4.15Å; W237-K262 HydrophobicContact CZ3-CD 4.5Å; K262-V269 HydrophobicContact CB-CG1 4.48Å; K262-L271 HydrophobicContact CB-CD2 4.2Å; K262-L271 HydrophobicContact CD-CD2 3.92Å; K262-L271 HydrophobicContact CG-CD2 3.62Å
263	R	82.3	Confident	87.4	Confident	108 Å²	108	59.4 Å²	59.4	41%	0.408	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.8	-177.3	-60	-175.6	73.4	92.9	3.4	110.1	E261 V269 D270	E261-R263 HydrophobicContact CB-CG 4.32Å; E261-R263 HydrophobicContact CG-CG 3.76Å; E261-R263 IonicContact OE1-CZ 3.61Å; E261-R263 IonicContact OE1-NH1 2.65Å; E261-R263 PolarHBondContact OE1-NH1 2.93Å; E261-R263 WeakPolarHBondContact OE2-CD 3.28Å; E261-R263 IonicContact OE2-CZ 3.07Å; E261-R263 IonicContact OE2-NH1 2.65Å; E261-R263 PolarHBondContact OE2-NH1 3.3Å; R263-V269 CarbonylContact O-C 3.58Å; R263-V269 WeakPolarHBondContact O-CA 3.36Å; R263-D270 PolarHBondContact N-O 3.17Å; R263-D270 PolarHBondContact O-N 3.38Å
264	G	75.6	Confident	87.2	Confident	68 Å²	68	60.2 Å²	60.2	70%	0.701	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	99.9	-166.2	176.4	0	0	0	0	0	114.4	D268	G264-D268 CarbonylContact C-O 3.53Å; G264-D268 VanDerWaalsContact CA-O 3.32Å; G264-D268 WeakPolarHBondContact CA-O 3.17Å
265	T	70.3	Confident	87.2	Confident	89 Å²	89	60.5 Å²	60.5	55%	0.546	34%	0.341	S	S	.	.			trans	-101.1	169.6	-178.7	66.8	0	0	0	0	110.1	V267 D268 V269	T265-V267 PolarHBondContact O-N 3.25Å; T265-D268 PolarHBondContact N-O 2.87Å; T265-D268 VanDerWaalsContact N-O 3.12Å; T265-D268 CarbonylContact O-C 3.59Å; T265-D268 PolarHBondContact O-N 3.2Å; T265-D268 VanDerWaalsContact O-N 3.13Å; T265-V269 WeakPolarHBondContact O-CG2 3.34Å; T265-V269 PolarHBondContact O-N 2.86Å
266	S	67.9	Low	87.1	Confident	120 Å²	120	60.7 Å²	60.7	84%	0.839	34%	0.344	S	S	*	.	S	Bend	trans	-58.2	-16.2	179.9	56.6	0	0	0	0	114.7
267	V	65.6	Low	87.1	Confident	121 Å²	121	57 Å²	57	73%	0.733	33%	0.327	S	S	*	.	S	Bend	trans	-97.8	-33.2	-179.4	-162.8	0	0	0	0	111.7	T265	T265-V267 PolarHBondContact O-N 3.25Å
268	D	70.6	Confident	87.1	Confident	122 Å²	122	55.8 Å²	55.8	65%	0.652	32%	0.322	S	S	*	.	S	Bend	trans	-125.5	79.8	178.3	-64.8	-46.4	0	0	0	108.9	G264 T265	G264-D268 CarbonylContact C-O 3.53Å; G264-D268 VanDerWaalsContact CA-O 3.32Å; G264-D268 WeakPolarHBondContact CA-O 3.17Å; T265-D268 PolarHBondContact N-O 2.87Å; T265-D268 VanDerWaalsContact N-O 3.12Å; T265-D268 CarbonylContact O-C 3.59Å; T265-D268 PolarHBondContact O-N 3.2Å; T265-D268 VanDerWaalsContact O-N 3.13Å
269	V	84.4	Confident	87.1	Confident	38 Å²	38	57.9 Å²	57.9	23%	0.23	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.8	177.4	-178.6	0	0	0	0	109.6	I231 K262 R263 T265 L271	I231-V269 HydrophobicContact CD1-CB 4.2Å; I231-V269 HydrophobicContact CD1-CG1 4.46Å; K262-V269 HydrophobicContact CB-CG1 4.48Å; R263-V269 CarbonylContact O-C 3.58Å; R263-V269 WeakPolarHBondContact O-CA 3.36Å; T265-V269 WeakPolarHBondContact O-CG2 3.34Å; T265-V269 PolarHBondContact O-N 2.86Å; V269-L271 HydrophobicContact CG1-CD2 3.74Å; V269-L271 HydrophobicContact CG1-CG 4.3Å
270	D	84.9	Confident	87.3	Confident	78 Å²	78	60.9 Å²	60.9	42%	0.417	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.9	166.4	-73	-22.3	0	0	0	109.6	I228 R263	I228-D270 HydrophobicContact CG2-CB 4.23Å; R263-D270 PolarHBondContact N-O 3.17Å; R263-D270 PolarHBondContact O-N 3.38Å
271	L	93.2	Very high	87.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.9	176.9	-58.4	174.2	0	0	0	108.6	I228 F229 I231 K234 W237 K262 V269	I228-L271 WeakPolarHBondContact CA-O 3.48Å; F229-L271 HydrophobicContact CB-CB 4.14Å; F229-L271 WeakPolarHBondContact CD2-O 3.15Å; F229-L271 PolarHBondContact N-O 3.06Å; F229-L271 PolarHBondContact O-N 3.13Å; I231-L271 HydrophobicContact CD1-CD1 4.37Å; K234-L271 HydrophobicContact CB-CD1 3.67Å; K234-L271 HydrophobicContact CG-CD1 3.84Å; W237-L271 HydrophobicContact CB-CB 4.31Å; W237-L271 HydrophobicContact CB-CD1 4.16Å; W237-L271 HydrophobicContact CD2-CB 3.9Å; W237-L271 HydrophobicContact CD2-CD1 4.19Å; W237-L271 HydrophobicContact CD2-CD2 4.33Å; W237-L271 HydrophobicContact CD2-CG 4.38Å; W237-L271 HydrophobicContact CE3-CD1 4.23Å; W237-L271 HydrophobicContact CE3-CD2 4.31Å; W237-L271 HydrophobicContact CG-CB 3.71Å; W237-L271 HydrophobicContact CG-CD1 4.17Å; W237-L271 HydrophobicContact CG-CG 4.48Å; K262-L271 HydrophobicContact CB-CD2 4.2Å; K262-L271 HydrophobicContact CD-CD2 3.92Å; K262-L271 HydrophobicContact CG-CD2 3.62Å; V269-L271 HydrophobicContact CG1-CD2 3.74Å; V269-L271 HydrophobicContact CG1-CG 4.3Å
272	W	94.8	Very high	87.9	Confident	23 Å²	23	57 Å²	57	9%	0.087	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.7	-176	-72.2	26.4	0	0	0	110.2	L200 L202 V226 I228 W237 A260 E261	L200-W272 HydrophobicContact CD1-CE3 4.38Å; L200-W272 HydrophobicContact CD1-CZ3 4.01Å; L200-W272 HydrophobicContact CD2-CH2 4.04Å; L200-W272 HydrophobicContact CD2-CZ3 3.53Å; L200-W272 HydrophobicContact CG-CZ3 4.32Å; L202-W272 HydrophobicContact CD1-CH2 4.2Å; L202-W272 HydrophobicContact CD1-CZ2 4.18Å; L202-W272 HydrophobicContact CD2-CH2 4.24Å; L202-W272 HydrophobicContact CG-CH2 4.26Å; V226-W272 HydrophobicContact CG1-CB 4.34Å; V226-W272 HydrophobicContact CG1-CD2 3.76Å; V226-W272 HydrophobicContact CG1-CE3 3.61Å; V226-W272 HydrophobicContact CG1-CG 4.11Å; V226-W272 HydrophobicContact CG1-CZ3 4.18Å; I228-W272 HydrophobicContact CD1-CZ2 4.09Å; I228-W272 HydrophobicContact CG1-CD2 4.47Å; I228-W272 HydrophobicContact CG1-CG 4.34Å; W237-W272 PolarHBondContact NE1-O 2.67Å; A260-W272 CarbonylContact C-O 3.56Å; A260-W272 VanDerWaalsContact CA-O 3.27Å; A260-W272 WeakPolarHBondContact CA-O 3.38Å; E261-W272 HydrophobicContact CB-CB 4.39Å; E261-W272 PolarHBondContact N-O 2.67Å; E261-W272 PolarHBondContact O-N 2.73Å
273	L	95.8	Very high	88.4	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.1	169.3	-165.5	146	0	0	0	108.1	K227 F229 E240 Y244 F257 T275	K227-L273 HydrophobicContact CB-CB 4.47Å; K227-L273 PolarHBondContact N-O 3.44Å; K227-L273 PolarHBondContact O-N 3.16Å; F229-L273 HydrophobicContact CE2-CB 3.84Å; E240-L273 HydrophobicContact CB-CD1 3.84Å; E240-L273 HydrophobicContact CG-CD1 3.62Å; Y244-L273 HydrophobicContact CD2-CD1 4.35Å; Y244-L273 HydrophobicContact CD2-CD2 4.3Å; Y244-L273 HydrophobicContact CE2-CD2 3.9Å; F257-L273 HydrophobicContact CD2-CD2 4.31Å; F257-L273 HydrophobicContact CD2-CG 4.47Å; F257-L273 HydrophobicContact CE2-CD2 4.43Å; F257-L273 HydrophobicContact CE2-CG 4.1Å; L273-T275 HydrophobicContact CD2-CG2 3.6Å
274	I	96.1	Very high	89.2	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.9	-170.3	-49.2	173.2	0	0	0	108.8	L200 V224 A225 V226 I258 G259	L200-I274 HydrophobicContact CD1-CD1 3.77Å; L200-I274 HydrophobicContact CD1-CG1 4.49Å; V224-I274 HydrophobicContact CB-CG2 4.04Å; V224-I274 HydrophobicContact CG2-CG2 3.97Å; A225-I274 WeakPolarHBondContact O-CA 3.1Å; V226-I274 HydrophobicContact CG2-CG1 4.4Å; V226-I274 HydrophobicContact CG2-CG2 4.44Å; I258-I274 HydrophobicContact CB-CB 4.34Å; I258-I274 HydrophobicContact CB-CG2 4.03Å; I258-I274 WeakPolarHBondContact CB-O 3.35Å; I258-I274 HydrophobicContact CD1-CG2 4.33Å; I258-I274 HydrophobicContact CG2-CG2 4.22Å; I258-I274 PolarHBondContact N-O 3.25Å; G259-I274 PolarHBondContact N-O 3.47Å; G259-I274 WeakPolarHBondContact O-CA 3.46Å; G259-I274 WeakPolarHBondContact O-CB 3.43Å; G259-I274 PolarHBondContact O-N 3.47Å
275	T	97.4	Very high	90.2	Very high	12 Å²	12	46.3 Å²	46.3	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	171.5	177.8	66.2	0	0	0	0	111.5	V224 A225 Y244 L255 Q256 I258 L273	V224-T275 WeakPolarHBondContact CB-O 3.22Å; A225-T275 PolarHBondContact N-O 2.94Å; A225-T275 PolarHBondContact O-N 3.5Å; Y244-T275 HydrophobicContact CE2-CG2 4.4Å; L255-T275 HydrophobicContact CD2-CG2 3.98Å; L255-T275 HydrophobicContact CG-CG2 4.25Å; Q256-T275 CarbonylContact O-C 3.59Å; Q256-T275 WeakPolarHBondContact O-CA 3.39Å; Q256-T275 VanDerWaalsContact O-CB 3.3Å; Q256-T275 WeakPolarHBondContact O-CB 3.47Å; I258-T275 VanDerWaalsContact CD1-C 3.48Å; I258-T275 WeakPolarHBondContact CD1-O 3.23Å; L273-T275 HydrophobicContact CD2-CG2 3.6Å
276	A	97.3	Very high	91.5	Very high	13 Å²	13	42.9 Å²	42.9	11%	0.107	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	146.9	167	0	0	0	0	0	111.2	L255 Q256	L255-A276 HydrophobicContact CD1-CB 4.3Å; Q256-A276 HydrophobicContact CB-CB 3.95Å; Q256-A276 PolarHBondContact O-N 3.46Å
277	F	97.6	Very high	93	Very high	34 Å²	34	37.2 Å²	37.2	15%	0.149	20%	0.2	C	C	.	.			trans	-101.4	138.9	172.7	-173.4	-107.9	0	0	0	110.7	K206 K216 Y223 A225 E279	K206-F277 HydrophobicContact CG-CE2 3.94Å; K206-F277 HydrophobicContact CG-CZ 4.18Å; K216-F277 HydrophobicContact CB-CD2 4.38Å; K216-F277 HydrophobicContact CB-CE2 3.92Å; K216-F277 HydrophobicContact CB-CZ 4.04Å; K216-F277 HydrophobicContact CD-CD1 4.28Å; K216-F277 HydrophobicContact CD-CE1 3.59Å; K216-F277 HydrophobicContact CD-CE2 4.38Å; K216-F277 HydrophobicContact CD-CZ 3.67Å; K216-F277 VanDerWaalsContact CE-CE1 3.45Å; K216-F277 HydrophobicContact CG-CD1 4.13Å; K216-F277 HydrophobicContact CG-CD2 4.24Å; K216-F277 HydrophobicContact CG-CE1 3.83Å; K216-F277 HydrophobicContact CG-CE2 3.99Å; K216-F277 HydrophobicContact CG-CG 4.34Å; K216-F277 HydrophobicContact CG-CZ 3.78Å; Y223-F277 WeakPolarHBondContact O-CB 3.32Å; A225-F277 HydrophobicContact CB-CD2 4.12Å; F277-E279 VanDerWaalsContact CE1-CD 3.48Å; F277-E279 HydrophobicContact CE1-CG 4.16Å; F277-E279 WeakPolarHBondContact CE1-OE2 3.43Å
278	H	97.4	Very high	94.5	Very high	31 Å²	31	37 Å²	37	14%	0.144	19%	0.19	C	C	.	.			trans	-126.1	117.5	177.1	-63.9	-33.9	0	0	0	109.6	K280 G281 L338	H278-K280 VanDerWaalsContact C-N 3.28Å; H278-K280 PolarHBondContact O-N 3.17Å; H278-G281 PolarHBondContact O-N 2.85Å; H278-L338 WeakPolarHBondContact CB-O 3.48Å
279	E	95.7	Very high	95.8	Very high	100 Å²	100	35 Å²	35	47%	0.467	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.3	-172.7	-66.5	-73.1	175.1	0	0	113	K216 F277 G281	K216-E279 WeakPolarHBondContact CE-OE1 3.45Å; K216-E279 IonicContact NZ-OE1 2.86Å; K216-E279 PolarHBondContact NZ-OE1 3.11Å; K216-E279 IonicContact NZ-OE2 3.77Å; K216-E279 PolarHBondContact NZ-OE2 3.48Å; F277-E279 VanDerWaalsContact CE1-CD 3.48Å; F277-E279 HydrophobicContact CE1-CG 4.16Å; F277-E279 WeakPolarHBondContact CE1-OE2 3.43Å; E279-G281 PolarHBondContact O-N 2.89Å
280	K	96.7	Very high	96.4	Very high	77 Å²	77	36.4 Å²	36.4	34%	0.335	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.4	175.9	-67.6	-173.3	-176.8	-81.2	0	113.2	H278 F286 L338 K339 N340 L342	H278-K280 VanDerWaalsContact C-N 3.28Å; H278-K280 PolarHBondContact O-N 3.17Å; K280-F286 HydrophobicContact CB-CD2 4.43Å; K280-F286 HydrophobicContact CD-CD2 4.31Å; K280-F286 HydrophobicContact CD-CE2 4.15Å; K280-L338 HydrophobicContact CB-CB 4.09Å; K280-L338 HydrophobicContact CD-CB 4.42Å; K280-K339 WeakPolarHBondContact CD-O 3.19Å; K280-N340 WeakPolarHBondContact CE-O 3.18Å; K280-L342 HydrophobicContact CD-CD2 3.69Å
281	G	96.8	Very high	97.1	Very high	23 Å²	23	35.9 Å²	35.9	24%	0.237	20%	0.195	C	C	.	.			trans	65.8	-149.2	177.8	0	0	0	0	0	113.1	H278 E279 L337 L338	H278-G281 PolarHBondContact O-N 2.85Å; E279-G281 PolarHBondContact O-N 2.89Å; G281-L337 WeakPolarHBondContact O-CA 3.49Å; G281-L338 PolarHBondContact O-N 2.93Å
282	S	98.1	Very high	97.3	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.021	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-75.2	156.9	177	71.2	0	0	0	0	112.8	S284 D285 F286 K334 V336	S282-S284 PolarHBondContact O-N 2.83Å; S282-D285 PolarHBondContact O-N 3.42Å; S282-D285 PolarHBondContact OG-N 3.07Å; S282-D285 VanDerWaalsContact OG-N 3.11Å; S282-D285 PolarHBondContact OG-OD2 3.47Å; S282-F286 WeakPolarHBondContact O-CB 3.46Å; S282-F286 PolarHBondContact O-N 3.24Å; S282-K334 WeakPolarHBondContact CB-O 3.49Å; S282-K334 WeakPolarHBondContact OG-CD 3.28Å; S282-V336 CarbonylContact C-O 3.47Å; S282-V336 VanDerWaalsContact CA-O 3.31Å; S282-V336 WeakPolarHBondContact CA-O 3.08Å
283	L	98.8	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-40	172.4	177.1	61.9	0	0	0	110.7	D285 F286 L287 I300 S333 V336 L338 V401 L405	L283-D285 PolarHBondContact O-N 2.59Å; L283-F286 PolarHBondContact O-N 3.47Å; L283-L287 HydrophobicContact CD1-CD1 3.8Å; L283-L287 HydrophobicContact CD1-CD2 4.11Å; L283-L287 HydrophobicContact CD1-CG 3.69Å; L283-L287 HydrophobicContact CD2-CD1 4.47Å; L283-L287 HydrophobicContact CG-CD1 3.84Å; L283-L287 HydrophobicContact CG-CG 4.12Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.47Å; L283-L287 PolarHBondContact O-N 3.32Å; L283-I300 HydrophobicContact CD1-CG2 4.1Å; L283-I300 HydrophobicContact CD2-CG2 4.38Å; L283-S333 WeakPolarHBondContact CB-O 3.37Å; L283-S333 PolarHBondContact N-O 2.99Å; L283-V336 HydrophobicContact CB-CB 4.14Å; L283-V336 HydrophobicContact CB-CG1 4.32Å; L283-V336 HydrophobicContact CD2-CG1 4.42Å; L283-V336 PolarHBondContact N-O 3.33Å; L283-L338 HydrophobicContact CD1-CD1 3.96Å; L283-L338 HydrophobicContact CD1-CD2 4.35Å; L283-L338 HydrophobicContact CD1-CG 4.45Å; L283-V401 HydrophobicContact CD2-CG1 3.68Å; L283-L405 HydrophobicContact CD1-CD2 3.86Å; L283-L405 HydrophobicContact CD2-CD1 4.39Å; L283-L405 HydrophobicContact CD2-CD2 4.31Å; L283-L405 HydrophobicContact CD2-CG 4.18Å
284	S	98.1	Very high	97.4	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-47.7	175.1	-172.3	0	0	0	0	112.4	S282 F286 L287 K288 S333 Y419	S282-S284 PolarHBondContact O-N 2.83Å; S284-F286 VanDerWaalsContact C-N 3.32Å; S284-F286 PolarHBondContact O-N 3.09Å; S284-L287 PolarHBondContact O-N 3.47Å; S284-K288 VanDerWaalsContact O-CG 3.31Å; S284-K288 WeakPolarHBondContact O-CG 3.42Å; S284-K288 PolarHBondContact O-N 3.33Å; S284-K288 VanDerWaalsContact O-N 3.13Å; S284-S333 WeakPolarHBondContact CB-OG 3.49Å; S284-S333 PolarHBondContact N-O 3.48Å; S284-S333 VanDerWaalsContact N-O 3.09Å; S284-Y419 PolarHBondContact OG-OH 3.23Å
285	D	96.6	Very high	97.4	Very high	65 Å²	65	40.3 Å²	40.3	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-66.2	-37.7	178.8	-59.1	-38.6	0	0	0	111.4	S282 L283 K334	S282-D285 PolarHBondContact O-N 3.42Å; S282-D285 PolarHBondContact OG-N 3.07Å; S282-D285 VanDerWaalsContact OG-N 3.11Å; S282-D285 PolarHBondContact OG-OD2 3.47Å; L283-D285 PolarHBondContact O-N 2.59Å; D285-K334 IonicContact OD1-NZ 2.79Å; D285-K334 PolarHBondContact OD1-NZ 2.98Å; D285-K334 IonicContact OD2-NZ 3.59Å; D285-K334 PolarHBondContact OD2-NZ 3.1Å
286	F	98.5	Very high	97.5	Very high	18 Å²	18	43.3 Å²	43.3	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-48.1	177.1	-176.5	-96.1	0	0	0	111.8	K280 S282 L283 S284 K288 A289 N290 V292 L338 L342	K280-F286 HydrophobicContact CB-CD2 4.43Å; K280-F286 HydrophobicContact CD-CD2 4.31Å; K280-F286 HydrophobicContact CD-CE2 4.15Å; S282-F286 WeakPolarHBondContact O-CB 3.46Å; S282-F286 PolarHBondContact O-N 3.24Å; L283-F286 PolarHBondContact O-N 3.47Å; S284-F286 VanDerWaalsContact C-N 3.32Å; S284-F286 PolarHBondContact O-N 3.09Å; F286-K288 VanDerWaalsContact C-N 3.32Å; F286-K288 PolarHBondContact O-N 3.36Å; F286-A289 PolarHBondContact O-N 3.29Å; F286-A289 VanDerWaalsContact O-N 3.16Å; F286-N290 HydrophobicContact CD1-CB 4.3Å; F286-N290 HydrophobicContact CE1-CB 3.91Å; F286-N290 HydrophobicContact CE2-CB 4.14Å; F286-N290 HydrophobicContact CZ-CB 3.82Å; F286-N290 VanDerWaalsContact O-CB 3.31Å; F286-N290 WeakPolarHBondContact O-CB 3.41Å; F286-N290 PolarHBondContact O-N 2.77Å; F286-N290 PolarHBondContact O-ND2 2.65Å; F286-V292 HydrophobicContact CE1-CG1 3.79Å; F286-L338 HydrophobicContact CB-CD1 3.69Å; F286-L338 HydrophobicContact CD1-CD1 3.6Å; F286-L338 HydrophobicContact CD2-CD1 4.08Å; F286-L338 HydrophobicContact CE1-CD1 4.26Å; F286-L338 HydrophobicContact CG-CD1 3.5Å; F286-L342 HydrophobicContact CE1-CD2 4.19Å; F286-L342 HydrophobicContact CE2-CD2 3.9Å; F286-L342 HydrophobicContact CZ-CD2 3.65Å
287	L	98.6	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-26.7	-177.9	-69.8	-177	0	0	0	113.6	L283 S284 A289 N290 V292 E404 L405 R408 Y419	L283-L287 HydrophobicContact CD1-CD1 3.8Å; L283-L287 HydrophobicContact CD1-CD2 4.11Å; L283-L287 HydrophobicContact CD1-CG 3.69Å; L283-L287 HydrophobicContact CD2-CD1 4.47Å; L283-L287 HydrophobicContact CG-CD1 3.84Å; L283-L287 HydrophobicContact CG-CG 4.12Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.47Å; L283-L287 PolarHBondContact O-N 3.32Å; S284-L287 PolarHBondContact O-N 3.47Å; L287-A289 VanDerWaalsContact C-N 3.32Å; L287-N290 CarbonylContact C-O 3.54Å; L287-V292 HydrophobicContact CD2-CG1 4.26Å; L287-E404 HydrophobicContact CD1-CB 4.12Å; L287-L405 HydrophobicContact CD1-CD2 4.39Å; L287-L405 HydrophobicContact CD2-CD2 4.33Å; L287-R408 HydrophobicContact CB-CG 4.21Å; L287-R408 HydrophobicContact CD2-CB 3.92Å; L287-R408 HydrophobicContact CD2-CG 4.35Å; L287-R408 PolarHBondContact O-NE 2.93Å; L287-R408 PolarHBondContact O-NH2 3.08Å; L287-Y419 HydrophobicContact CB-CD2 3.65Å; L287-Y419 HydrophobicContact CB-CE2 3.9Å; L287-Y419 HydrophobicContact CB-CG 4.47Å; L287-Y419 HydrophobicContact CD1-CD2 4.5Å; L287-Y419 HydrophobicContact CD1-CE2 4.21Å
288	K	97.8	Very high	97.6	Very high	118 Å²	118	41.1 Å²	41.1	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-39.3	169.8	-76.8	172.4	-175.9	-179.5	0	112.7	S284 F286 Y419	S284-K288 VanDerWaalsContact O-CG 3.31Å; S284-K288 WeakPolarHBondContact O-CG 3.42Å; S284-K288 PolarHBondContact O-N 3.33Å; S284-K288 VanDerWaalsContact O-N 3.13Å; F286-K288 VanDerWaalsContact C-N 3.32Å; F286-K288 PolarHBondContact O-N 3.36Å; K288-Y419 HydrophobicContact CB-CD1 4.48Å; K288-Y419 HydrophobicContact CD-CD1 4.17Å; K288-Y419 HydrophobicContact CD-CE1 4.29Å; K288-Y419 VanDerWaalsContact CE-CE1 3.46Å; K288-Y419 HydrophobicContact CG-CD1 3.28Å; K288-Y419 HydrophobicContact CG-CE1 3.79Å; K288-Y419 HydrophobicContact CG-CG 3.84Å
289	A	97.3	Very high	97.6	Very high	79 Å²	79	42.3 Å²	42.3	65%	0.653	23%	0.23	S	C	*	.	H	α-helix	trans	-98.4	-15.7	-174.4	0	0	0	0	0	113.8	F286 L287	F286-A289 PolarHBondContact O-N 3.29Å; F286-A289 VanDerWaalsContact O-N 3.16Å; L287-A289 VanDerWaalsContact C-N 3.32Å
290	N	98.3	Very high	97.8	Very high	68 Å²	68	37.5 Å²	37.5	36%	0.364	21%	0.207	S	C	.	.			trans	-136.6	159.2	-170.5	-54.1	-90.2	0	0	0	111.1	F286 L287 R408	F286-N290 HydrophobicContact CD1-CB 4.3Å; F286-N290 HydrophobicContact CE1-CB 3.91Å; F286-N290 HydrophobicContact CE2-CB 4.14Å; F286-N290 HydrophobicContact CZ-CB 3.82Å; F286-N290 VanDerWaalsContact O-CB 3.31Å; F286-N290 WeakPolarHBondContact O-CB 3.41Å; F286-N290 PolarHBondContact O-N 2.77Å; F286-N290 PolarHBondContact O-ND2 2.65Å; L287-N290 CarbonylContact C-O 3.54Å; N290-R408 PolarHBondContact O-NE 3.16Å; N290-R408 PolarHBondContact O-NH2 2.66Å
291	V	97.9	Very high	97.9	Very high	66 Å²	66	33.9 Å²	33.9	40%	0.4	19%	0.191	S	C	.	.			trans	-107.5	163.2	163.1	-65.1	0	0	0	0	108.5	R408 T410 V416	V291-R408 WeakPolarHBondContact CA-O 3.42Å; V291-R408 WeakPolarHBondContact CB-O 3.46Å; V291-R408 VanDerWaalsContact CG1-NH2 3.32Å; V291-T410 HydrophobicContact CB-CG2 3.96Å; V291-T410 HydrophobicContact CG2-CG2 3.77Å; V291-V416 HydrophobicContact CG1-CB 4.43Å; V291-V416 HydrophobicContact CG1-CG1 3.81Å
292	V	97.9	Very high	98	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-121.4	142.6	178.1	-66.7	0	0	0	0	111	F286 L287 E296 L297 I300 R408 C409 T410	F286-V292 HydrophobicContact CE1-CG1 3.79Å; L287-V292 HydrophobicContact CD2-CG1 4.26Å; V292-E296 HydrophobicContact CB-CB 4.1Å; V292-E296 HydrophobicContact CG1-CB 4.42Å; V292-L297 HydrophobicContact CG2-CB 4.03Å; V292-I300 HydrophobicContact CG1-CD1 4.05Å; V292-R408 PolarHBondContact N-O 2.86Å; V292-C409 HydrophobicContact CG2-CB 4.43Å; V292-C409 CarbonylContact O-C 3.54Å; V292-C409 VanDerWaalsContact O-CA 3.28Å; V292-C409 WeakPolarHBondContact O-CA 3.37Å; V292-T410 PolarHBondContact O-N 3.38Å
293	S	97	Very high	98	Very high	40 Å²	40	34.5 Å²	34.5	28%	0.28	19%	0.188	S	C	.	.			trans	-71.6	167.3	165.8	64.6	0	0	0	0	111.1	N295 E296 L297	S293-N295 VanDerWaalsContact C-N 3.29Å; S293-N295 PolarHBondContact O-N 2.72Å; S293-E296 WeakPolarHBondContact CB-OE2 3.38Å; S293-E296 PolarHBondContact N-OE2 3.43Å; S293-E296 PolarHBondContact O-N 3Å; S293-E296 VanDerWaalsContact OG-CD 3.31Å; S293-E296 VanDerWaalsContact OG-CG 3.27Å; S293-E296 WeakPolarHBondContact OG-CG 3.24Å; S293-E296 PolarHBondContact OG-N 3.28Å; S293-E296 PolarHBondContact OG-OE2 3.35Å; S293-L297 WeakPolarHBondContact O-CB 3.3Å; S293-L297 PolarHBondContact O-N 2.86Å
294	W	96.3	Very high	98	Very high	17 Å²	17	34.6 Å²	34.6	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-52.7	-45	174.2	176.2	-116	0	0	0	113.2	L297 C298 A411 H456 G458 M459 L462 M490 T494	W294-L297 HydrophobicContact CZ3-CD2 4.21Å; W294-L297 PolarHBondContact O-N 3.07Å; W294-C298 WeakPolarHBondContact CZ2-SG 3.32Å; W294-C298 PolarHBondContact O-N 2.87Å; W294-C298 PolarHBondContact O-SG 2.59Å; W294-C298 VanDerWaalsContact O-SG 3.38Å; W294-A411 HydrophobicContact CB-CB 3.77Å; W294-A411 HydrophobicContact CD2-CB 4.48Å; W294-A411 HydrophobicContact CE3-CB 4.08Å; W294-A411 HydrophobicContact CG-CB 4.39Å; W294-H456 AromaticContact CD2-CE1 3.61Å; W294-H456 AromaticContact CE2-CE1 3.86Å; W294-H456 AromaticContact CE3-CE1 3.89Å; W294-H456 AromaticContact CG-CE1 3.93Å; W294-G458 WeakPolarHBondContact CH2-O 3.26Å; W294-G458 VanDerWaalsContact CZ2-CA 3.41Å; W294-M459 HydrophobicContact CE3-CG 4.1Å; W294-M459 HydrophobicContact CE3-SD 3.89Å; W294-M459 HydrophobicContact CZ3-CG 3.97Å; W294-M459 HydrophobicContact CZ3-SD 3.68Å; W294-L462 HydrophobicContact CZ3-CD2 4.48Å; W294-M490 HydrophobicContact CH2-CB 4.48Å; W294-M490 HydrophobicContact CH2-CG 4.07Å; W294-M490 HydrophobicContact CH2-SD 3.71Å; W294-M490 HydrophobicContact CZ2-CB 4.19Å; W294-M490 HydrophobicContact CZ2-CG 3.94Å; W294-M490 HydrophobicContact CZ2-SD 4.21Å; W294-T494 PolarHBondContact NE1-OG1 3.22Å
295	N	96.4	Very high	98.1	Very high	78 Å²	78	34.4 Å²	34.4	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-70.5	-38.6	-177.4	-75.7	-50.8	0	0	0	112.2	S293 C298 H299	S293-N295 VanDerWaalsContact C-N 3.29Å; S293-N295 PolarHBondContact O-N 2.72Å; N295-C298 PolarHBondContact O-N 3.43Å; N295-H299 WeakPolarHBondContact O-CB 3.47Å; N295-H299 PolarHBondContact O-N 3.27Å
296	E	98.3	Very high	98.2	Very high	75 Å²	75	36 Å²	36	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-67	-40.2	174.9	-68.2	167.2	133.6	0	0	111.1	V292 S293 H299 I300 L342	V292-E296 HydrophobicContact CB-CB 4.1Å; V292-E296 HydrophobicContact CG1-CB 4.42Å; S293-E296 WeakPolarHBondContact CB-OE2 3.38Å; S293-E296 PolarHBondContact N-OE2 3.43Å; S293-E296 PolarHBondContact O-N 3Å; S293-E296 VanDerWaalsContact OG-CD 3.31Å; S293-E296 VanDerWaalsContact OG-CG 3.27Å; S293-E296 WeakPolarHBondContact OG-CG 3.24Å; S293-E296 PolarHBondContact OG-N 3.28Å; S293-E296 PolarHBondContact OG-OE2 3.35Å; E296-H299 PolarHBondContact O-N 3Å; E296-I300 WeakPolarHBondContact O-CB 3.45Å; E296-I300 WeakPolarHBondContact O-CD1 3Å; E296-I300 VanDerWaalsContact O-CG1 3.22Å; E296-I300 WeakPolarHBondContact O-CG1 3.5Å; E296-I300 PolarHBondContact O-N 2.87Å; E296-L342 HydrophobicContact CB-CD1 3.93Å; E296-L342 HydrophobicContact CG-CD1 3.68Å
297	L	98.5	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-52.9	172.1	-178.7	152.9	0	0	0	110.7	V292 S293 W294 H299 I300 A301 L405 C409 M459 L462	V292-L297 HydrophobicContact CG2-CB 4.03Å; S293-L297 WeakPolarHBondContact O-CB 3.3Å; S293-L297 PolarHBondContact O-N 2.86Å; W294-L297 HydrophobicContact CZ3-CD2 4.21Å; W294-L297 PolarHBondContact O-N 3.07Å; L297-H299 VanDerWaalsContact C-N 3.31Å; L297-H299 PolarHBondContact O-N 3.14Å; L297-I300 PolarHBondContact O-N 2.95Å; L297-A301 VanDerWaalsContact O-CB 3.25Å; L297-A301 WeakPolarHBondContact O-CB 3.47Å; L297-A301 PolarHBondContact O-N 3.12Å; L297-L405 HydrophobicContact CD1-CB 3.99Å; L297-L405 HydrophobicContact CG-CB 4.1Å; L297-C409 HydrophobicContact CD1-CB 3.63Å; L297-M459 HydrophobicContact CD1-SD 4.45Å; L297-L462 HydrophobicContact CD1-CD2 3.95Å; L297-L462 HydrophobicContact CD2-CD2 3.65Å; L297-L462 HydrophobicContact CG-CD2 4.46Å
298	C	98.4	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-45.9	179.1	-74.7	0	0	0	0	111.1	W294 N295 A301 E302 I487 Q491	W294-C298 WeakPolarHBondContact CZ2-SG 3.32Å; W294-C298 PolarHBondContact O-N 2.87Å; W294-C298 PolarHBondContact O-SG 2.59Å; W294-C298 VanDerWaalsContact O-SG 3.38Å; N295-C298 PolarHBondContact O-N 3.43Å; C298-A301 PolarHBondContact O-N 3.5Å; C298-E302 WeakPolarHBondContact O-CB 3.16Å; C298-E302 PolarHBondContact O-N 3.01Å; C298-I487 HydrophobicContact CB-CG2 4.22Å; C298-I487 WeakPolarHBondContact O-CG2 3.48Å; C298-Q491 HydrophobicContact CB-CB 4.12Å; C298-Q491 HydrophobicContact CB-CG 3.96Å
299	H	98.6	Very high	98.3	Very high	56 Å²	56	30.7 Å²	30.7	26%	0.259	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-46	179.4	-176	67.5	0	0	0	112.5	N295 E296 L297 T303 N341 T343	N295-H299 WeakPolarHBondContact O-CB 3.47Å; N295-H299 PolarHBondContact O-N 3.27Å; E296-H299 PolarHBondContact O-N 3Å; L297-H299 VanDerWaalsContact C-N 3.31Å; L297-H299 PolarHBondContact O-N 3.14Å; H299-T303 WeakPolarHBondContact O-CB 3.3Å; H299-T303 VanDerWaalsContact O-CG2 3.31Å; H299-T303 WeakPolarHBondContact O-CG2 3.04Å; H299-T303 PolarHBondContact O-N 3.14Å; H299-T303 PolarHBondContact O-OG1 3.24Å; H299-N341 PolarHBondContact CD2-O 2.74Å; H299-N341 PolarHBondContact NE2-O 3.36Å; H299-T343 PolarHBondContact NE2-N 2.89Å; H299-T343 PolarHBondContact NE2-OG1 2.97Å; H299-T343 VanDerWaalsContact NE2-OG1 3.17Å
300	I	98.9	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-47.2	177.4	-65.4	162.9	0	0	0	110.3	L283 V292 E296 L297 T303 M304 L338 L342 A344 L405	L283-I300 HydrophobicContact CD1-CG2 4.1Å; L283-I300 HydrophobicContact CD2-CG2 4.38Å; V292-I300 HydrophobicContact CG1-CD1 4.05Å; E296-I300 WeakPolarHBondContact O-CB 3.45Å; E296-I300 WeakPolarHBondContact O-CD1 3Å; E296-I300 VanDerWaalsContact O-CG1 3.22Å; E296-I300 WeakPolarHBondContact O-CG1 3.5Å; E296-I300 PolarHBondContact O-N 2.87Å; L297-I300 PolarHBondContact O-N 2.95Å; I300-T303 PolarHBondContact O-N 2.96Å; I300-T303 PolarHBondContact O-OG1 3.32Å; I300-M304 VanDerWaalsContact O-CB 3.22Å; I300-M304 WeakPolarHBondContact O-CB 3.49Å; I300-M304 PolarHBondContact O-N 3.45Å; I300-L338 HydrophobicContact CD1-CD1 4.43Å; I300-L338 HydrophobicContact CG1-CD2 4.21Å; I300-L338 HydrophobicContact CG2-CD2 3.95Å; I300-L342 HydrophobicContact CD1-CB 4.31Å; I300-L342 HydrophobicContact CG1-CB 3.99Å; I300-L342 WeakPolarHBondContact CG1-O 3.38Å; I300-A344 HydrophobicContact CG2-CB 4.28Å; I300-L405 HydrophobicContact CB-CD2 4.23Å; I300-L405 HydrophobicContact CD1-CD2 4.19Å; I300-L405 HydrophobicContact CG2-CD1 4Å; I300-L405 HydrophobicContact CG2-CD2 3.88Å
301	A	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-45	-178.8	0	0	0	0	0	112.1	L297 C298 M304 A305 L402 L405 I487	L297-A301 VanDerWaalsContact O-CB 3.25Å; L297-A301 WeakPolarHBondContact O-CB 3.47Å; L297-A301 PolarHBondContact O-N 3.12Å; C298-A301 PolarHBondContact O-N 3.5Å; A301-M304 PolarHBondContact O-N 3.27Å; A301-A305 VanDerWaalsContact O-CB 3.25Å; A301-A305 WeakPolarHBondContact O-CB 3.3Å; A301-A305 PolarHBondContact O-N 3.37Å; A301-L402 HydrophobicContact CB-CD2 3.68Å; A301-L405 HydrophobicContact CB-CD1 4.2Å; A301-I487 HydrophobicContact CB-CD1 3.93Å; A301-I487 HydrophobicContact CB-CG1 4.07Å; A301-I487 HydrophobicContact CB-CG2 4.18Å
302	E	98.7	Very high	98.4	Very high	36 Å²	36	23.3 Å²	23.3	17%	0.168	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-48.5	178.5	-170.1	-153.6	161	0	0	110.9	C298 M304 A305 R306 I487	C298-E302 WeakPolarHBondContact O-CB 3.16Å; C298-E302 PolarHBondContact O-N 3.01Å; E302-M304 VanDerWaalsContact C-N 3.34Å; E302-M304 PolarHBondContact O-N 3.48Å; E302-A305 PolarHBondContact O-N 3.49Å; E302-R306 WeakPolarHBondContact O-CB 3.43Å; E302-R306 PolarHBondContact O-N 3.13Å; E302-R306 IonicContact OE1-CZ 3.52Å; E302-R306 IonicContact OE1-NH2 2.77Å; E302-R306 PolarHBondContact OE1-NH2 3.08Å; E302-I487 HydrophobicContact CB-CB 4.42Å; E302-I487 HydrophobicContact CB-CG2 3.79Å
303	T	98.9	Very high	98.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-34.8	-178.6	52.6	0	0	0	0	112.1	N253 H299 I300 G307 T343 A344	N253-T303 WeakPolarHBondContact CB-O 3.27Å; N253-T303 VanDerWaalsContact ND2-CB 3.33Å; N253-T303 WeakPolarHBondContact ND2-CB 3.16Å; N253-T303 PolarHBondContact ND2-O 2.73Å; H299-T303 WeakPolarHBondContact O-CB 3.3Å; H299-T303 VanDerWaalsContact O-CG2 3.31Å; H299-T303 WeakPolarHBondContact O-CG2 3.04Å; H299-T303 PolarHBondContact O-N 3.14Å; H299-T303 PolarHBondContact O-OG1 3.24Å; I300-T303 PolarHBondContact O-N 2.96Å; I300-T303 PolarHBondContact O-OG1 3.32Å; T303-G307 PolarHBondContact O-N 2.88Å; T303-G307 VanDerWaalsContact O-N 3.07Å; T303-T343 HydrophobicContact CG2-CG2 3.96Å; T303-A344 WeakPolarHBondContact OG1-CB 3.44Å; T303-A344 PolarHBondContact OG1-N 3.4Å
304	M	98.9	Very high	98.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-48.8	170.5	179	-178.3	68.3	0	0	111.3	I300 A301 E302 R306 G307 L308 V336 A344 I346 M398 V401 L402	I300-M304 VanDerWaalsContact O-CB 3.22Å; I300-M304 WeakPolarHBondContact O-CB 3.49Å; I300-M304 PolarHBondContact O-N 3.45Å; A301-M304 PolarHBondContact O-N 3.27Å; E302-M304 VanDerWaalsContact C-N 3.34Å; E302-M304 PolarHBondContact O-N 3.48Å; M304-R306 VanDerWaalsContact C-N 3.32Å; M304-R306 PolarHBondContact O-N 3.44Å; M304-G307 PolarHBondContact O-N 3.19Å; M304-G307 VanDerWaalsContact O-N 3.16Å; M304-L308 PolarHBondContact O-N 3.3Å; M304-V336 HydrophobicContact CG-CG1 4.34Å; M304-V336 HydrophobicContact CG-CG2 4.27Å; M304-V336 HydrophobicContact SD-CG1 4.35Å; M304-V336 HydrophobicContact SD-CG2 3.93Å; M304-A344 HydrophobicContact CB-CB 3.95Å; M304-I346 HydrophobicContact CG-CD1 4.02Å; M304-M398 HydrophobicContact CE-CE 3.78Å; M304-M398 HydrophobicContact CE-CG 3.92Å; M304-V401 HydrophobicContact CE-CB 4.45Å; M304-V401 HydrophobicContact CE-CG1 4.07Å; M304-V401 HydrophobicContact SD-CB 4.31Å; M304-V401 HydrophobicContact SD-CG1 3.6Å; M304-V401 VanDerWaalsContact SD-CG1 3.6Å; M304-L402 HydrophobicContact CE-CD2 3.69Å; M304-L402 HydrophobicContact CE-CG 4.1Å
305	A	98.9	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-44.5	178.3	0	0	0	0	0	111.5	A301 E302 G307 L308 A309 M398 V483	A301-A305 VanDerWaalsContact O-CB 3.25Å; A301-A305 WeakPolarHBondContact O-CB 3.3Å; A301-A305 PolarHBondContact O-N 3.37Å; E302-A305 PolarHBondContact O-N 3.49Å; A305-G307 VanDerWaalsContact C-N 3.35Å; A305-G307 PolarHBondContact O-N 3.23Å; A305-L308 PolarHBondContact O-N 3.07Å; A305-A309 VanDerWaalsContact O-CB 3.26Å; A305-A309 WeakPolarHBondContact O-CB 3.31Å; A305-A309 PolarHBondContact O-N 3.07Å; A305-M398 VanDerWaalsContact CA-CE 3.44Å; A305-M398 HydrophobicContact CB-CE 3.42Å; A305-M398 VanDerWaalsContact CB-CE 3.42Å; A305-V483 HydrophobicContact CB-CG1 4.23Å
306	R	98.9	Very high	98.1	Very high	98 Å²	98	30.7 Å²	30.7	37%	0.37	15%	0.153	S	C	.	.	H	α-helix	trans	-61.6	-41.9	176.4	-165.1	-172.6	-56.9	159.5	-3	111.9	N253 E302 M304 Y310	N253-R306 WeakPolarHBondContact OD1-CD 3.39Å; E302-R306 WeakPolarHBondContact O-CB 3.43Å; E302-R306 PolarHBondContact O-N 3.13Å; E302-R306 IonicContact OE1-CZ 3.52Å; E302-R306 IonicContact OE1-NH2 2.77Å; E302-R306 PolarHBondContact OE1-NH2 3.08Å; M304-R306 VanDerWaalsContact C-N 3.32Å; M304-R306 PolarHBondContact O-N 3.44Å; R306-Y310 VanDerWaalsContact O-CB 3.3Å; R306-Y310 WeakPolarHBondContact O-CB 3.47Å; R306-Y310 PolarHBondContact O-N 2.86Å
307	G	98.8	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-45.6	175.2	0	0	0	0	0	112.7	N253 T303 M304 A305 Y310 L311	N253-G307 VanDerWaalsContact CB-CA 3.45Å; T303-G307 PolarHBondContact O-N 2.88Å; T303-G307 VanDerWaalsContact O-N 3.07Å; M304-G307 PolarHBondContact O-N 3.19Å; M304-G307 VanDerWaalsContact O-N 3.16Å; A305-G307 VanDerWaalsContact C-N 3.35Å; A305-G307 PolarHBondContact O-N 3.23Å; G307-Y310 PolarHBondContact O-N 3.33Å; G307-L311 PolarHBondContact O-N 3.31Å
308	L	98.9	Very high	97.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-69.2	-41.1	178.6	-170.7	60	0	0	0	112.1	M304 A305 Y310 L311 H312 I331 D394 M395 M398 A480	M304-L308 PolarHBondContact O-N 3.3Å; A305-L308 PolarHBondContact O-N 3.07Å; L308-Y310 VanDerWaalsContact C-N 3.34Å; L308-Y310 PolarHBondContact O-N 3.48Å; L308-L311 HydrophobicContact CD1-CD2 4.31Å; L308-L311 WeakPolarHBondContact O-CB 3.36Å; L308-L311 PolarHBondContact O-N 3.16Å; L308-L311 VanDerWaalsContact O-N 3.16Å; L308-H312 WeakPolarHBondContact CD1-NE2 3.5Å; L308-H312 WeakPolarHBondContact O-CB 3.33Å; L308-H312 PolarHBondContact O-CD2 3.21Å; L308-H312 VanDerWaalsContact O-CG 3.27Å; L308-H312 PolarHBondContact O-N 3.24Å; L308-I331 HydrophobicContact CD1-CD1 3.84Å; L308-I331 HydrophobicContact CD1-CG1 4.26Å; L308-D394 HydrophobicContact CD1-CB 4.39Å; L308-D394 HydrophobicContact CD2-CB 4.39Å; L308-M395 HydrophobicContact CD2-SD 3.81Å; L308-M398 HydrophobicContact CD2-CB 4.12Å; L308-M398 HydrophobicContact CD2-CG 4.31Å; L308-M398 HydrophobicContact CD2-SD 3.62Å; L308-A480 HydrophobicContact CB-CB 4.1Å; L308-A480 HydrophobicContact CD2-CB 4.28Å; L308-A480 HydrophobicContact CG-CB 4.03Å
309	A	98.8	Very high	96.9	Very high	25 Å²	25	44 Å²	44	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-47	174.7	0	0	0	0	0	111	A305 L311 H312 E313 A480	A305-A309 VanDerWaalsContact O-CB 3.26Å; A305-A309 WeakPolarHBondContact O-CB 3.31Å; A305-A309 PolarHBondContact O-N 3.07Å; A309-L311 VanDerWaalsContact C-N 3.31Å; A309-L311 PolarHBondContact O-N 3.06Å; A309-H312 PolarHBondContact O-N 2.88Å; A309-E313 WeakPolarHBondContact O-CB 3.42Å; A309-E313 PolarHBondContact O-N 2.92Å; A309-A480 HydrophobicContact CB-CB 3.79Å
310	Y	98.7	Very high	96.3	Very high	38 Å²	38	46.1 Å²	46.1	15%	0.149	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-40.4	175.8	-171.5	-100	0	0	0	112.4	G248 H251 I254 R306 G307 L308 E313 I315 K323	G248-Y310 WeakPolarHBondContact O-CE1 3.46Å; G248-Y310 PolarHBondContact O-OH 3.06Å; H251-Y310 HydrophobicContact CB-CD1 3.54Å; H251-Y310 HydrophobicContact CB-CE1 3.54Å; H251-Y310 HydrophobicContact CB-CG 4.16Å; H251-Y310 AromaticContact CD2-CD2 3.77Å; H251-Y310 AromaticContact CD2-CG 3.76Å; H251-Y310 AromaticContact CG-CD1 3.67Å; H251-Y310 AromaticContact CG-CG 3.77Å; I254-Y310 HydrophobicContact CG1-CD1 4.24Å; R306-Y310 VanDerWaalsContact O-CB 3.3Å; R306-Y310 WeakPolarHBondContact O-CB 3.47Å; R306-Y310 PolarHBondContact O-N 2.86Å; G307-Y310 PolarHBondContact O-N 3.33Å; L308-Y310 VanDerWaalsContact C-N 3.34Å; L308-Y310 PolarHBondContact O-N 3.48Å; Y310-E313 PolarHBondContact O-N 3Å; Y310-I315 HydrophobicContact CD2-CD1 4.11Å; Y310-I315 HydrophobicContact CE2-CD1 3.54Å; Y310-K323 HydrophobicContact CE1-CD 4.11Å; Y310-K323 WeakPolarHBondContact O-CE 3.17Å; Y310-K323 PolarHBondContact O-NZ 2.91Å
311	L	98.5	Very high	95.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-44.7	176.6	-170	67.3	0	0	0	111.3	M249 I254 G307 L308 A309 E313 K323 I326 H328 F349	M249-L311 HydrophobicContact CE-CD1 3.97Å; M249-L311 HydrophobicContact SD-CD1 4.29Å; I254-L311 HydrophobicContact CD1-CB 4.31Å; I254-L311 HydrophobicContact CD1-CD1 4.41Å; G307-L311 PolarHBondContact O-N 3.31Å; L308-L311 HydrophobicContact CD1-CD2 4.31Å; L308-L311 WeakPolarHBondContact O-CB 3.36Å; L308-L311 PolarHBondContact O-N 3.16Å; L308-L311 VanDerWaalsContact O-N 3.16Å; A309-L311 VanDerWaalsContact C-N 3.31Å; A309-L311 PolarHBondContact O-N 3.06Å; L311-E313 VanDerWaalsContact C-N 3.31Å; L311-E313 PolarHBondContact O-N 3.48Å; L311-K323 PolarHBondContact O-NZ 3.03Å; L311-I326 HydrophobicContact CD1-CB 3.88Å; L311-I326 HydrophobicContact CD1-CD1 4.02Å; L311-I326 HydrophobicContact CD1-CG2 3.89Å; L311-I326 HydrophobicContact CG-CB 3.99Å; L311-I326 HydrophobicContact CG-CG2 4.1Å; L311-I326 PolarHBondContact O-N 3.22Å; L311-H328 HydrophobicContact CD2-CB 3.89Å; L311-F349 HydrophobicContact CD1-CD1 4.36Å; L311-F349 HydrophobicContact CD1-CE1 3.8Å; L311-F349 HydrophobicContact CD2-CD1 4.48Å; L311-F349 HydrophobicContact CD2-CE1 3.89Å
312	H	98.4	Very high	95.7	Very high	20 Å²	20	52.1 Å²	52.1	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-70.6	-22.6	-179.7	-72.5	-167	0	0	0	113.8	L308 A309 A325 I326 L391 D394	L308-H312 WeakPolarHBondContact CD1-NE2 3.5Å; L308-H312 WeakPolarHBondContact O-CB 3.33Å; L308-H312 PolarHBondContact O-CD2 3.21Å; L308-H312 VanDerWaalsContact O-CG 3.27Å; L308-H312 PolarHBondContact O-N 3.24Å; A309-H312 PolarHBondContact O-N 2.88Å; H312-A325 WeakPolarHBondContact O-CB 3.27Å; H312-I326 PolarHBondContact CD2-O 3.42Å; H312-I326 VanDerWaalsContact CD2-O 3.24Å; H312-L391 HydrophobicContact CB-CD1 4.22Å; H312-L391 HydrophobicContact CB-CD2 4.16Å; H312-D394 IonicContact CD2-OD2 2.79Å; H312-D394 IonicContact CE1-OD2 2.64Å; H312-D394 IonicContact NE2-OD2 3.97Å; H312-D394 PolarHBondContact NE2-OD2 3.45Å
313	E	97.1	Very high	95.5	Very high	105 Å²	105	50.4 Å²	50.4	49%	0.491	28%	0.275	S	S	.	.			trans	-73.6	137.9	-175	-164	175.5	-174.7	0	0	113	A309 Y310 L311 I315 K323	A309-E313 WeakPolarHBondContact O-CB 3.42Å; A309-E313 PolarHBondContact O-N 2.92Å; Y310-E313 PolarHBondContact O-N 3Å; L311-E313 VanDerWaalsContact C-N 3.31Å; L311-E313 PolarHBondContact O-N 3.48Å; E313-I315 HydrophobicContact CB-CD1 4.31Å; E313-I315 HydrophobicContact CB-CG1 4.05Å; E313-I315 HydrophobicContact CG-CD1 4.22Å; E313-I315 HydrophobicContact CG-CG1 3.7Å; E313-K323 PolarHBondContact O-NZ 2.82Å
314	D	95.9	Very high	95.4	Very high	63 Å²	63	50.6 Å²	50.6	34%	0.337	28%	0.276	S	S	.	.			trans	-94.5	107	172.4	-171.1	14.2	0	0	0	109.6	P316 H322 A325	D314-P316 VanDerWaalsContact O-CD 3.31Å; D314-P316 WeakPolarHBondContact O-CD 3.44Å; D314-H322 IonicContact OD1-CD2 3.45Å; D314-H322 IonicContact OD1-CE1 3.45Å; D314-H322 IonicContact OD1-NE2 3.24Å; D314-H322 PolarHBondContact OD1-NE2 3.25Å; D314-H322 IonicContact OD2-NE2 3.28Å; D314-A325 HydrophobicContact CB-CB 4.26Å
315	I	95.6	Very high	95.3	Very high	29 Å²	29	50.5 Å²	50.5	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	94.8	-169.7	-46.1	178	0	0	0	110.4	Y310 E313 L318 H322 K323	Y310-I315 HydrophobicContact CD2-CD1 4.11Å; Y310-I315 HydrophobicContact CE2-CD1 3.54Å; E313-I315 HydrophobicContact CB-CD1 4.31Å; E313-I315 HydrophobicContact CB-CG1 4.05Å; E313-I315 HydrophobicContact CG-CD1 4.22Å; E313-I315 HydrophobicContact CG-CG1 3.7Å; I315-L318 HydrophobicContact CB-CD1 4.33Å; I315-L318 HydrophobicContact CG2-CD1 4.23Å; I315-L318 HydrophobicContact CG2-CD2 3.85Å; I315-L318 HydrophobicContact CG2-CG 3.95Å; I315-H322 PolarHBondContact O-CD2 2.7Å; I315-K323 HydrophobicContact CB-CB 4.16Å; I315-K323 HydrophobicContact CD1-CD 4Å; I315-K323 HydrophobicContact CG1-CD 4.33Å; I315-K323 PolarHBondContact N-O 3.18Å; I315-K323 PolarHBondContact O-N 2.77Å
316	P	93.3	Very high	95.2	Very high	93 Å²	93	50.5 Å²	50.5	60%	0.604	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	157.2	174.4	31.8	-34.9	0	0	0	112	D314 L318	D314-P316 VanDerWaalsContact O-CD 3.31Å; D314-P316 WeakPolarHBondContact O-CD 3.44Å; P316-L318 PolarHBondContact O-N 3.34Å
317	G	91.4	Very high	95.1	Very high	76 Å²	76	45.9 Å²	45.9	78%	0.784	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	74.6	23	168.3	0	0	0	0	0	115.7
318	L	91.3	Very high	95.1	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.267	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	155.5	168.3	-62.2	171.7	0	0	0	110.2	I315 P316 D320 G321 K323	I315-L318 HydrophobicContact CB-CD1 4.33Å; I315-L318 HydrophobicContact CG2-CD1 4.23Å; I315-L318 HydrophobicContact CG2-CD2 3.85Å; I315-L318 HydrophobicContact CG2-CG 3.95Å; P316-L318 PolarHBondContact O-N 3.34Å; L318-D320 VanDerWaalsContact CB-OD1 3.24Å; L318-D320 WeakPolarHBondContact CB-OD1 3.36Å; L318-D320 PolarHBondContact O-N 2.97Å; L318-D320 VanDerWaalsContact O-N 3.15Å; L318-G321 WeakPolarHBondContact CA-O 3.36Å; L318-G321 VanDerWaalsContact CB-O 3.32Å; L318-G321 WeakPolarHBondContact CB-O 3.18Å; L318-G321 PolarHBondContact N-O 2.97Å; L318-G321 PolarHBondContact O-N 3.34Å; L318-K323 HydrophobicContact CD1-CB 3.75Å
319	K	87.7	Confident	94.9	Very high	227 Å²	227	47.1 Å²	47.1	99%	0.987	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-31.1	-179.5	-69.1	-176.9	178.4	178.8	0	112.8
320	D	85.5	Confident	94.9	Very high	102 Å²	102	46.3 Å²	46.3	55%	0.545	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	1.6	-179.6	56.1	-18.1	0	0	0	113.3	P247 G248 L318	P247-D320 WeakPolarHBondContact CA-OD2 3.43Å; P247-D320 HydrophobicContact CB-CB 4.42Å; P247-D320 VanDerWaalsContact CG-O 3.31Å; P247-D320 WeakPolarHBondContact CG-O 3.34Å; G248-D320 PolarHBondContact N-OD2 3.27Å; L318-D320 VanDerWaalsContact CB-OD1 3.24Å; L318-D320 WeakPolarHBondContact CB-OD1 3.36Å; L318-D320 PolarHBondContact O-N 2.97Å; L318-D320 VanDerWaalsContact O-N 3.15Å
321	G	91.8	Very high	94.9	Very high	33 Å²	33	44.8 Å²	44.8	34%	0.34	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	134	-139.2	172.6	0	0	0	0	0	114.2	L318	L318-G321 WeakPolarHBondContact CA-O 3.36Å; L318-G321 VanDerWaalsContact CB-O 3.32Å; L318-G321 WeakPolarHBondContact CB-O 3.18Å; L318-G321 PolarHBondContact N-O 2.97Å; L318-G321 PolarHBondContact O-N 3.34Å
322	H	93	Very high	94.9	Very high	93 Å²	93	46.2 Å²	46.2	43%	0.431	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.7	-179.7	178.5	-173.6	0	0	0	108.2	D314 I315 P324	D314-H322 IonicContact OD1-CD2 3.45Å; D314-H322 IonicContact OD1-CE1 3.45Å; D314-H322 IonicContact OD1-NE2 3.24Å; D314-H322 PolarHBondContact OD1-NE2 3.25Å; D314-H322 IonicContact OD2-NE2 3.28Å; I315-H322 PolarHBondContact O-CD2 2.7Å; H322-P324 VanDerWaalsContact O-CD 3.31Å; H322-P324 WeakPolarHBondContact O-CD 3.01Å
323	K	95.8	Very high	94.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	112.1	171.9	-176.2	-166.7	163.8	-64.1	0	109	P247 Y310 L311 E313 I315 L318	P247-K323 WeakPolarHBondContact O-CB 3.45Å; P247-K323 VanDerWaalsContact O-CG 3.32Å; P247-K323 WeakPolarHBondContact O-CG 3.43Å; Y310-K323 HydrophobicContact CE1-CD 4.11Å; Y310-K323 WeakPolarHBondContact O-CE 3.17Å; Y310-K323 PolarHBondContact O-NZ 2.91Å; L311-K323 PolarHBondContact O-NZ 3.03Å; E313-K323 PolarHBondContact O-NZ 2.82Å; I315-K323 HydrophobicContact CB-CB 4.16Å; I315-K323 HydrophobicContact CD1-CD 4Å; I315-K323 HydrophobicContact CG1-CD 4.33Å; I315-K323 PolarHBondContact N-O 3.18Å; I315-K323 PolarHBondContact O-N 2.77Å; L318-K323 HydrophobicContact CD1-CB 3.75Å
324	P	95.9	Very high	94.9	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.039	25%	0.246	C	C	.	.			trans	-69.7	162.7	172.8	30.1	-34.5	0	0	0	111.6	L246 H322 K354 F355 E356	L246-P324 HydrophobicContact CD1-CG 4.06Å; L246-P324 HydrophobicContact CD2-CG 4.4Å; H322-P324 VanDerWaalsContact O-CD 3.31Å; H322-P324 WeakPolarHBondContact O-CD 3.01Å; P324-K354 HydrophobicContact CB-CB 4.48Å; P324-K354 HydrophobicContact CG-CB 3.98Å; P324-K354 HydrophobicContact CG-CD 4.39Å; P324-F355 VanDerWaalsContact CB-O 3.24Å; P324-F355 WeakPolarHBondContact CB-O 3.41Å; P324-E356 HydrophobicContact CB-CG 4.32Å
325	A	96.6	Very high	95	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.6	164	0	0	0	0	0	110.1	H312 D314 K354 F355 R387	H312-A325 WeakPolarHBondContact O-CB 3.27Å; D314-A325 HydrophobicContact CB-CB 4.26Å; A325-K354 WeakPolarHBondContact O-CA 3.36Å; A325-F355 PolarHBondContact O-N 3.46Å; A325-R387 HydrophobicContact CB-CG 4.23Å
326	I	97.6	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.3	-178.2	-60.2	155.9	0	0	0	108.8	V243 L246 M249 L311 H312 A352 L353 K354	V243-I326 HydrophobicContact CG1-CD1 4.43Å; L246-I326 HydrophobicContact CD1-CD1 3.65Å; L246-I326 HydrophobicContact CD1-CG1 4.18Å; M249-I326 HydrophobicContact CE-CD1 4.34Å; M249-I326 HydrophobicContact SD-CD1 3.53Å; M249-I326 VanDerWaalsContact SD-CD1 3.53Å; L311-I326 HydrophobicContact CD1-CB 3.88Å; L311-I326 HydrophobicContact CD1-CD1 4.02Å; L311-I326 HydrophobicContact CD1-CG2 3.89Å; L311-I326 HydrophobicContact CG-CB 3.99Å; L311-I326 HydrophobicContact CG-CG2 4.1Å; L311-I326 PolarHBondContact O-N 3.22Å; H312-I326 PolarHBondContact CD2-O 3.42Å; H312-I326 VanDerWaalsContact CD2-O 3.24Å; I326-A352 HydrophobicContact CG2-CB 3.96Å; I326-L353 CarbonylContact C-O 3.43Å; I326-L353 WeakPolarHBondContact CA-O 2.99Å; I326-K354 HydrophobicContact CG1-CB 4.11Å
327	S	97.2	Very high	95.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141.1	164.5	59.9	0	0	0	0	110.1	R329 A352 L353 F355 D394	S327-R329 WeakPolarHBondContact OG-CG 3.42Å; S327-A352 CarbonylContact O-C 3.49Å; S327-A352 WeakPolarHBondContact O-CA 3.41Å; S327-A352 WeakPolarHBondContact O-CB 3.49Å; S327-L353 PolarHBondContact N-O 2.91Å; S327-L353 PolarHBondContact O-N 2.91Å; S327-L353 PolarHBondContact OG-O 3.26Å; S327-F355 WeakPolarHBondContact OG-CE2 3.49Å; S327-D394 WeakPolarHBondContact CA-OD2 3.35Å
328	H	98.1	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.			trans	-83	-42.3	-178.2	-175.1	-84.4	0	0	0	112.4	L311 D330 I331 A347 D348 F349 D394	L311-H328 HydrophobicContact CD2-CB 3.89Å; H328-D330 VanDerWaalsContact CE1-C 3.47Å; H328-D330 PolarHBondContact CE1-O 3.45Å; H328-D330 VanDerWaalsContact CE1-O 3.23Å; H328-D330 PolarHBondContact ND1-N 3.37Å; H328-D330 PolarHBondContact ND1-O 3.28Å; H328-D330 PolarHBondContact O-N 2.73Å; H328-D330 VanDerWaalsContact O-N 3.12Å; H328-I331 HydrophobicContact CB-CD1 3.62Å; H328-I331 HydrophobicContact CB-CG1 3.8Å; H328-I331 VanDerWaalsContact CG-CD1 3.4Å; H328-I331 PolarHBondContact ND1-N 2.65Å; H328-A347 PolarHBondContact NE2-O 3.39Å; H328-D348 PolarHBondContact NE2-O 2.93Å; H328-F349 AromaticContact CD2-CD1 3.93Å; H328-F349 AromaticContact CD2-CE1 3.89Å; H328-D394 PolarHBondContact N-OD2 3.27Å
329	R	96.1	Very high	96.1	Very high	28 Å²	28	33.7 Å²	33.7	11%	0.106	17%	0.165	C	C	.	.	S	Bend	trans	67.9	-1.2	175.2	-50.9	-177.3	60.4	-157.9	9.1	116.8	S327 L351 H365 V368 F390 D394	S327-R329 WeakPolarHBondContact OG-CG 3.42Å; R329-L351 HydrophobicContact CB-CB 4.36Å; R329-L351 WeakPolarHBondContact CD-O 3.48Å; R329-H365 PolarHBondContact NH2-O 3.38Å; R329-V368 HydrophobicContact CB-CG2 4.38Å; R329-F390 HydrophobicContact CG-CD1 4.19Å; R329-D394 PolarHBondContact N-OD1 2.67Å
330	D	97.3	Very high	96.6	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.043	15%	0.149	C	C	.	.			trans	-142.8	44.4	170.2	-161.6	32.4	0	0	0	112	H328 K332 N335 L351 G369 T370	H328-D330 VanDerWaalsContact CE1-C 3.47Å; H328-D330 PolarHBondContact CE1-O 3.45Å; H328-D330 VanDerWaalsContact CE1-O 3.23Å; H328-D330 PolarHBondContact ND1-N 3.37Å; H328-D330 PolarHBondContact ND1-O 3.28Å; H328-D330 PolarHBondContact O-N 2.73Å; H328-D330 VanDerWaalsContact O-N 3.12Å; D330-K332 PolarHBondContact O-N 2.82Å; D330-K332 IonicContact OD1-NZ 3.09Å; D330-K332 PolarHBondContact OD1-NZ 3.46Å; D330-K332 VanDerWaalsContact OD2-CE 3.23Å; D330-K332 WeakPolarHBondContact OD2-CE 3.49Å; D330-K332 IonicContact OD2-NZ 2.66Å; D330-K332 PolarHBondContact OD2-NZ 3.22Å; D330-N335 PolarHBondContact O-ND2 3.02Å; D330-N335 PolarHBondContact OD2-ND2 3.07Å; D330-L351 HydrophobicContact CB-CD1 3.94Å; D330-G369 WeakPolarHBondContact OD1-CA 3.43Å; D330-T370 WeakPolarHBondContact OD1-CB 3.35Å; D330-T370 PolarHBondContact OD1-N 3.37Å; D330-T370 PolarHBondContact OD1-OG1 3.39Å
331	I	98.7	Very high	97.2	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.026	15%	0.148	C	C	.	.			trans	-63.9	128.4	174	-66.4	-64.8	0	0	0	109	L308 H328 I346 D394 A397 M398 V401	L308-I331 HydrophobicContact CD1-CD1 3.84Å; L308-I331 HydrophobicContact CD1-CG1 4.26Å; H328-I331 HydrophobicContact CB-CD1 3.62Å; H328-I331 HydrophobicContact CB-CG1 3.8Å; H328-I331 VanDerWaalsContact CG-CD1 3.4Å; H328-I331 PolarHBondContact ND1-N 2.65Å; I331-I346 HydrophobicContact CD1-CG2 4.2Å; I331-D394 HydrophobicContact CG1-CB 4.06Å; I331-A397 HydrophobicContact CB-CB 3.79Å; I331-A397 HydrophobicContact CG2-CB 3.98Å; I331-A397 WeakPolarHBondContact O-CB 3.22Å; I331-M398 HydrophobicContact CG2-CB 4.43Å; I331-V401 HydrophobicContact CG2-CG2 4.35Å
332	K	98.6	Very high	97.5	Very high	30 Å²	30	27.6 Å²	27.6	13%	0.13	14%	0.135	C	C	.	.	S	Bend	trans	-168.8	160	176.9	58.1	-170.5	170.7	-164.5	0	109	D330 K334 N335 V336 T370 Y373	D330-K332 PolarHBondContact O-N 2.82Å; D330-K332 IonicContact OD1-NZ 3.09Å; D330-K332 PolarHBondContact OD1-NZ 3.46Å; D330-K332 VanDerWaalsContact OD2-CE 3.23Å; D330-K332 WeakPolarHBondContact OD2-CE 3.49Å; D330-K332 IonicContact OD2-NZ 2.66Å; D330-K332 PolarHBondContact OD2-NZ 3.22Å; K332-K334 HydrophobicContact CD-CB 4.26Å; K332-K334 HydrophobicContact CG-CB 4.15Å; K332-K334 PolarHBondContact O-N 3.26Å; K332-K334 VanDerWaalsContact O-N 3.07Å; K332-N335 VanDerWaalsContact CE-CG 3.47Å; K332-N335 WeakPolarHBondContact CE-ND2 3.25Å; K332-N335 WeakPolarHBondContact CE-OD1 3.25Å; K332-N335 HydrophobicContact CG-CB 4.07Å; K332-N335 PolarHBondContact O-N 2.82Å; K332-V336 PolarHBondContact O-N 2.81Å; K332-T370 HydrophobicContact CD-CG2 4.4Å; K332-T370 WeakPolarHBondContact CD-OG1 3.35Å; K332-T370 PolarHBondContact NZ-OG1 3.42Å; K332-Y373 HydrophobicContact CB-CD1 4.08Å; K332-Y373 HydrophobicContact CB-CD2 3.68Å; K332-Y373 HydrophobicContact CB-CE1 3.89Å; K332-Y373 HydrophobicContact CB-CE2 3.48Å; K332-Y373 VanDerWaalsContact CB-CE2 3.48Å; K332-Y373 HydrophobicContact CB-CG 3.99Å
333	S	98.6	Very high	97.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23	179.3	58.1	0	0	0	0	114	L283 S284 N335 Y373 E404 Y419	L283-S333 WeakPolarHBondContact CB-O 3.37Å; L283-S333 PolarHBondContact N-O 2.99Å; S284-S333 WeakPolarHBondContact CB-OG 3.49Å; S284-S333 PolarHBondContact N-O 3.48Å; S284-S333 VanDerWaalsContact N-O 3.09Å; S333-N335 VanDerWaalsContact C-N 3.32Å; S333-Y373 PolarHBondContact OG-OH 3.27Å; S333-E404 WeakPolarHBondContact CB-OE1 3.39Å; S333-E404 WeakPolarHBondContact CB-OE2 3.39Å; S333-E404 VanDerWaalsContact OG-CD 3.3Å; S333-E404 PolarHBondContact OG-OE1 2.81Å; S333-E404 PolarHBondContact OG-OE2 3.44Å; S333-Y419 PolarHBondContact OG-OH 3.32Å
334	K	97.4	Very high	97.9	Very high	82 Å²	82	23.3 Å²	23.3	36%	0.357	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-70.9	-25.3	173.8	-162.1	65	175.4	171.6	0	113.6	S282 D285 K332	S282-K334 WeakPolarHBondContact CB-O 3.49Å; S282-K334 WeakPolarHBondContact OG-CD 3.28Å; D285-K334 IonicContact OD1-NZ 2.79Å; D285-K334 PolarHBondContact OD1-NZ 2.98Å; D285-K334 IonicContact OD2-NZ 3.59Å; D285-K334 PolarHBondContact OD2-NZ 3.1Å; K332-K334 HydrophobicContact CD-CB 4.26Å; K332-K334 HydrophobicContact CG-CB 4.15Å; K332-K334 PolarHBondContact O-N 3.26Å; K332-K334 VanDerWaalsContact O-N 3.07Å
335	N	98.3	Very high	98.1	Very high	12 Å²	12	23 Å²	23	6%	0.064	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-100.7	7	-178.7	-73.5	0.1	0	0	0	112.8	D330 K332 S333 A347	D330-N335 PolarHBondContact O-ND2 3.02Å; D330-N335 PolarHBondContact OD2-ND2 3.07Å; K332-N335 VanDerWaalsContact CE-CG 3.47Å; K332-N335 WeakPolarHBondContact CE-ND2 3.25Å; K332-N335 WeakPolarHBondContact CE-OD1 3.25Å; K332-N335 HydrophobicContact CG-CB 4.07Å; K332-N335 PolarHBondContact O-N 2.82Å; S333-N335 VanDerWaalsContact C-N 3.32Å; N335-A347 WeakPolarHBondContact CB-O 3.5Å; N335-A347 PolarHBondContact O-N 2.93Å
336	V	98.8	Very high	98.2	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.1	169.9	-178.8	0	0	0	0	107.3	S282 L283 M304 K332 A344 I346	S282-V336 CarbonylContact C-O 3.47Å; S282-V336 VanDerWaalsContact CA-O 3.31Å; S282-V336 WeakPolarHBondContact CA-O 3.08Å; L283-V336 HydrophobicContact CB-CB 4.14Å; L283-V336 HydrophobicContact CB-CG1 4.32Å; L283-V336 HydrophobicContact CD2-CG1 4.42Å; L283-V336 PolarHBondContact N-O 3.33Å; M304-V336 HydrophobicContact CG-CG1 4.34Å; M304-V336 HydrophobicContact CG-CG2 4.27Å; M304-V336 HydrophobicContact SD-CG1 4.35Å; M304-V336 HydrophobicContact SD-CG2 3.93Å; K332-V336 PolarHBondContact O-N 2.81Å; V336-A344 HydrophobicContact CG1-CB 3.78Å; V336-I346 HydrophobicContact CG2-CD1 4.01Å
337	L	98.7	Very high	98.2	Very high	33 Å²	33	23.4 Å²	23.4	17%	0.173	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	146.7	178.4	-56.7	-174.2	0	0	0	111.1	L255 G281 A344 C345 A347	L255-L337 HydrophobicContact CD1-CD1 3.95Å; L255-L337 HydrophobicContact CD2-CD1 3.84Å; L255-L337 HydrophobicContact CG-CD1 4.45Å; G281-L337 WeakPolarHBondContact O-CA 3.49Å; L337-A344 CarbonylContact O-C 3.59Å; L337-A344 WeakPolarHBondContact O-CA 3.28Å; L337-C345 PolarHBondContact N-O 3.09Å; L337-C345 PolarHBondContact O-N 2.75Å; L337-A347 HydrophobicContact CD1-CB 4.07Å; L337-A347 HydrophobicContact CG-CB 3.99Å
338	L	98.8	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.2	179	-60.7	-176.5	0	0	0	111.5	H278 K280 G281 L283 F286 I300 L342 A344	H278-L338 WeakPolarHBondContact CB-O 3.48Å; K280-L338 HydrophobicContact CB-CB 4.09Å; K280-L338 HydrophobicContact CD-CB 4.42Å; G281-L338 PolarHBondContact O-N 2.93Å; L283-L338 HydrophobicContact CD1-CD1 3.96Å; L283-L338 HydrophobicContact CD1-CD2 4.35Å; L283-L338 HydrophobicContact CD1-CG 4.45Å; F286-L338 HydrophobicContact CB-CD1 3.69Å; F286-L338 HydrophobicContact CD1-CD1 3.6Å; F286-L338 HydrophobicContact CD2-CD1 4.08Å; F286-L338 HydrophobicContact CE1-CD1 4.26Å; F286-L338 HydrophobicContact CG-CD1 3.5Å; I300-L338 HydrophobicContact CD1-CD1 4.43Å; I300-L338 HydrophobicContact CG1-CD2 4.21Å; I300-L338 HydrophobicContact CG2-CD2 3.95Å; L338-L342 HydrophobicContact CD1-CD2 4.22Å; L338-A344 HydrophobicContact CD2-CB 4.11Å
339	K	98.6	Very high	98	Very high	46 Å²	46	24.3 Å²	24.3	20%	0.2	12%	0.121	C	C	.	.			trans	-73	171.4	168.2	-61.6	-175.5	-169.3	175.5	0	110.8	E252 K280 N341 L342 T343	E252-K339 WeakPolarHBondContact O-CE 3.48Å; E252-K339 PolarHBondContact O-NZ 3Å; K280-K339 WeakPolarHBondContact CD-O 3.19Å; K339-N341 WeakPolarHBondContact CB-OD1 3.38Å; K339-N341 PolarHBondContact O-N 3.24Å; K339-N341 VanDerWaalsContact O-N 3.14Å; K339-L342 WeakPolarHBondContact O-CA 3.18Å; K339-L342 PolarHBondContact O-N 3.35Å; K339-T343 WeakPolarHBondContact CB-O 3.49Å; K339-T343 HydrophobicContact CD-CG2 4.14Å; K339-T343 WeakPolarHBondContact CG-O 3.45Å; K339-T343 PolarHBondContact N-O 2.88Å
340	N	97.4	Very high	97.9	Very high	124 Å²	124	23.2 Å²	23.2	66%	0.663	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.2	-178	-68.9	-14.4	0	0	0	113.7	K280 L342	K280-N340 WeakPolarHBondContact CE-O 3.18Å; N340-L342 VanDerWaalsContact C-N 3.31Å
341	N	97.7	Very high	97.8	Very high	96 Å²	96	23.9 Å²	23.9	51%	0.513	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	18.1	176.7	69.1	-21	0	0	0	113.6	H299 K339 T343	H299-N341 PolarHBondContact CD2-O 2.74Å; H299-N341 PolarHBondContact NE2-O 3.36Å; K339-N341 WeakPolarHBondContact CB-OD1 3.38Å; K339-N341 PolarHBondContact O-N 3.24Å; K339-N341 VanDerWaalsContact O-N 3.14Å; N341-T343 PolarHBondContact ND2-OG1 3.27Å; N341-T343 PolarHBondContact O-N 3.31Å; N341-T343 VanDerWaalsContact O-N 3.13Å; N341-T343 VanDerWaalsContact OD1-CB 3.28Å; N341-T343 WeakPolarHBondContact OD1-CB 3.4Å; N341-T343 PolarHBondContact OD1-N 3.46Å; N341-T343 PolarHBondContact OD1-OG1 2.88Å; N341-T343 VanDerWaalsContact OD1-OG1 3.11Å
342	L	98.5	Very high	97.6	Very high	14 Å²	14	23.8 Å²	23.8	7%	0.073	12%	0.122	C	C	.	.			trans	63.6	8.9	-176.6	-53.4	176.4	0	0	0	115.5	K280 F286 E296 I300 L338 K339 N340 A344	K280-L342 HydrophobicContact CD-CD2 3.69Å; F286-L342 HydrophobicContact CE1-CD2 4.19Å; F286-L342 HydrophobicContact CE2-CD2 3.9Å; F286-L342 HydrophobicContact CZ-CD2 3.65Å; E296-L342 HydrophobicContact CB-CD1 3.93Å; E296-L342 HydrophobicContact CG-CD1 3.68Å; I300-L342 HydrophobicContact CD1-CB 4.31Å; I300-L342 HydrophobicContact CG1-CB 3.99Å; I300-L342 WeakPolarHBondContact CG1-O 3.38Å; L338-L342 HydrophobicContact CD1-CD2 4.22Å; K339-L342 WeakPolarHBondContact O-CA 3.18Å; K339-L342 PolarHBondContact O-N 3.35Å; N340-L342 VanDerWaalsContact C-N 3.31Å; L342-A344 PolarHBondContact O-N 3.28Å
343	T	98.8	Very high	97.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	12%	0.122	C	C	.	.			trans	-60.9	122.9	168.1	-66.3	0	0	0	0	109.2	E252 N253 H299 T303 K339 N341	E252-T343 HydrophobicContact CG-CG2 4.34Å; N253-T343 VanDerWaalsContact ND2-CG2 3.3Å; N253-T343 WeakPolarHBondContact ND2-CG2 3.43Å; H299-T343 PolarHBondContact NE2-N 2.89Å; H299-T343 PolarHBondContact NE2-OG1 2.97Å; H299-T343 VanDerWaalsContact NE2-OG1 3.17Å; T303-T343 HydrophobicContact CG2-CG2 3.96Å; K339-T343 WeakPolarHBondContact CB-O 3.49Å; K339-T343 HydrophobicContact CD-CG2 4.14Å; K339-T343 WeakPolarHBondContact CG-O 3.45Å; K339-T343 PolarHBondContact N-O 2.88Å; N341-T343 PolarHBondContact ND2-OG1 3.27Å; N341-T343 PolarHBondContact O-N 3.31Å; N341-T343 VanDerWaalsContact O-N 3.13Å; N341-T343 VanDerWaalsContact OD1-CB 3.28Å; N341-T343 WeakPolarHBondContact OD1-CB 3.4Å; N341-T343 PolarHBondContact OD1-N 3.46Å; N341-T343 PolarHBondContact OD1-OG1 2.88Å; N341-T343 VanDerWaalsContact OD1-OG1 3.11Å
344	A	98.9	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	147.8	177.2	0	0	0	0	0	111.8	N253 I300 T303 M304 V336 L337 L338 L342	N253-A344 WeakPolarHBondContact CA-O 3.25Å; N253-A344 WeakPolarHBondContact CB-O 3.35Å; N253-A344 PolarHBondContact ND2-O 3.04Å; I300-A344 HydrophobicContact CG2-CB 4.28Å; T303-A344 WeakPolarHBondContact OG1-CB 3.44Å; T303-A344 PolarHBondContact OG1-N 3.4Å; M304-A344 HydrophobicContact CB-CB 3.95Å; V336-A344 HydrophobicContact CG1-CB 3.78Å; L337-A344 CarbonylContact O-C 3.59Å; L337-A344 WeakPolarHBondContact O-CA 3.28Å; L338-A344 HydrophobicContact CD2-CB 4.11Å; L342-A344 PolarHBondContact O-N 3.28Å
345	C	98.7	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.9	167.1	62	0	0	0	0	111.8	N253 L337	N253-C345 CarbonylContact O-C 3.58Å; N253-C345 WeakPolarHBondContact O-CA 3.49Å; L337-C345 PolarHBondContact N-O 3.09Å; L337-C345 PolarHBondContact O-N 2.75Å
346	I	98.8	Very high	96.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.1	-179.6	-50.3	-58.3	0	0	0	110.1	N253 I254 L255 M304 I331 V336 F349	N253-I346 PolarHBondContact O-N 3.47Å; I254-I346 HydrophobicContact CD1-CB 4.07Å; I254-I346 HydrophobicContact CD1-CG1 4.38Å; L255-I346 WeakPolarHBondContact CB-O 3.36Å; L255-I346 PolarHBondContact N-O 3.49Å; M304-I346 HydrophobicContact CG-CD1 4.02Å; I331-I346 HydrophobicContact CD1-CG2 4.2Å; V336-I346 HydrophobicContact CG2-CD1 4.01Å; I346-F349 HydrophobicContact CG2-CE1 4.21Å; I346-F349 HydrophobicContact CG2-CZ 4.29Å
347	A	97.6	Very high	95.3	Very high	7 Å²	7	31.5 Å²	31.5	6%	0.058	18%	0.175	C	C	.	.			trans	-136.2	166.1	-176.8	0	0	0	0	0	112	L255 H328 N335 L337	L255-A347 HydrophobicContact CB-CB 3.97Å; L255-A347 HydrophobicContact CD2-CB 3.55Å; L255-A347 HydrophobicContact CG-CB 4.39Å; H328-A347 PolarHBondContact NE2-O 3.39Å; N335-A347 WeakPolarHBondContact CB-O 3.5Å; N335-A347 PolarHBondContact O-N 2.93Å; L337-A347 HydrophobicContact CD1-CB 4.07Å; L337-A347 HydrophobicContact CG-CB 3.99Å
348	D	95.7	Very high	94	Very high	20 Å²	20	34.3 Å²	34.3	11%	0.107	21%	0.212	C	C	.	.			trans	68.9	76.5	178.5	-157.6	-13.1	0	0	0	115	K227 E240 H328 G350	K227-D348 IonicContact NZ-OD1 2.72Å; K227-D348 PolarHBondContact NZ-OD1 3.31Å; K227-D348 IonicContact NZ-OD2 3.72Å; K227-D348 PolarHBondContact NZ-OD2 3.16Å; E240-D348 WeakPolarHBondContact OE1-CA 3.33Å; H328-D348 PolarHBondContact NE2-O 2.93Å; D348-G350 VanDerWaalsContact C-N 3.26Å; D348-G350 PolarHBondContact O-N 3.01Å; D348-G350 PolarHBondContact OD1-N 3.11Å
349	F	96.7	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.242	C	C	.	.			trans	-88.9	19.2	178.4	-53.5	-79.6	0	0	0	113.6	N239 E240 V243 Y244 I254 L311 H328 I346 L351 A352	N239-F349 PolarHBondContact ND2-O 3Å; E240-F349 HydrophobicContact CG-CB 4.07Å; E240-F349 PolarHBondContact OE1-N 3.34Å; V243-F349 HydrophobicContact CB-CB 4.01Å; V243-F349 HydrophobicContact CG1-CB 3.71Å; V243-F349 HydrophobicContact CG1-CD1 4Å; V243-F349 HydrophobicContact CG1-CG 3.82Å; Y244-F349 HydrophobicContact CD1-CD2 4.21Å; Y244-F349 HydrophobicContact CD1-CE2 4.24Å; Y244-F349 HydrophobicContact CD2-CD2 4.36Å; Y244-F349 AromaticContact CE1-CD2 3.6Å; Y244-F349 HydrophobicContact CE1-CD2 3.6Å; Y244-F349 AromaticContact CE1-CE2 3.38Å; Y244-F349 HydrophobicContact CE1-CE2 3.38Å; Y244-F349 AromaticContact CE2-CD2 3.76Å; Y244-F349 HydrophobicContact CE2-CD2 3.76Å; Y244-F349 HydrophobicContact CE2-CE2 4.29Å; Y244-F349 AromaticContact CZ-CD2 3.35Å; Y244-F349 AromaticContact CZ-CE2 3.42Å; Y244-F349 VanDerWaalsContact CZ-CE2 3.42Å; Y244-F349 WeakPolarHBondContact OH-CE2 3.47Å; I254-F349 HydrophobicContact CD1-CZ 4.31Å; I254-F349 HydrophobicContact CG2-CE2 4.15Å; I254-F349 HydrophobicContact CG2-CZ 3.86Å; L311-F349 HydrophobicContact CD1-CD1 4.36Å; L311-F349 HydrophobicContact CD1-CE1 3.8Å; L311-F349 HydrophobicContact CD2-CD1 4.48Å; L311-F349 HydrophobicContact CD2-CE1 3.89Å; H328-F349 AromaticContact CD2-CD1 3.93Å; H328-F349 AromaticContact CD2-CE1 3.89Å; I346-F349 HydrophobicContact CG2-CE1 4.21Å; I346-F349 HydrophobicContact CG2-CZ 4.29Å; F349-L351 PolarHBondContact O-N 2.76Å; F349-L351 VanDerWaalsContact O-N 3.12Å; F349-A352 HydrophobicContact CB-CB 3.9Å; F349-A352 HydrophobicContact CD1-CB 4.15Å; F349-A352 PolarHBondContact O-N 3.29Å; F349-A352 VanDerWaalsContact O-N 3.14Å
350	G	93.9	Very high	91.6	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.4	-177.2	0	0	0	0	0	115	D348	D348-G350 VanDerWaalsContact C-N 3.26Å; D348-G350 PolarHBondContact O-N 3.01Å; D348-G350 PolarHBondContact OD1-N 3.11Å
351	L	93.9	Very high	90.1	Very high	23 Å²	23	39.2 Å²	39.2	12%	0.12	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-3.7	175	-67.7	-178.9	0	0	0	114.1	F211 R329 D330 F349 V368	F211-L351 HydrophobicContact CE2-CD2 4.38Å; F211-L351 HydrophobicContact CE2-CG 4.08Å; F211-L351 HydrophobicContact CZ-CD1 4.41Å; F211-L351 HydrophobicContact CZ-CD2 3.66Å; F211-L351 HydrophobicContact CZ-CG 3.81Å; R329-L351 HydrophobicContact CB-CB 4.36Å; R329-L351 WeakPolarHBondContact CD-O 3.48Å; D330-L351 HydrophobicContact CB-CD1 3.94Å; F349-L351 PolarHBondContact O-N 2.76Å; F349-L351 VanDerWaalsContact O-N 3.12Å; L351-V368 HydrophobicContact CD1-CB 4.25Å; L351-V368 HydrophobicContact CD1-CG2 4.11Å; L351-V368 HydrophobicContact CD2-CB 4.41Å; L351-V368 HydrophobicContact CD2-CG2 4.4Å
352	A	95.6	Very high	88.5	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.017	24%	0.24	C	C	.	.			trans	-63.3	146.8	-171.5	0	0	0	0	0	111.3	N239 V243 I326 S327 F349	N239-A352 PolarHBondContact ND2-N 3.28Å; N239-A352 PolarHBondContact ND2-O 3.14Å; N239-A352 PolarHBondContact OD1-O 3.18Å; V243-A352 HydrophobicContact CG1-CB 4.47Å; V243-A352 HydrophobicContact CG2-CB 4.1Å; I326-A352 HydrophobicContact CG2-CB 3.96Å; S327-A352 CarbonylContact O-C 3.49Å; S327-A352 WeakPolarHBondContact O-CA 3.41Å; S327-A352 WeakPolarHBondContact O-CB 3.49Å; F349-A352 HydrophobicContact CB-CB 3.9Å; F349-A352 HydrophobicContact CD1-CB 4.15Å; F349-A352 PolarHBondContact O-N 3.29Å; F349-A352 VanDerWaalsContact O-N 3.14Å
353	L	94.5	Very high	86.7	Confident	25 Å²	25	44.1 Å²	44.1	13%	0.131	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.9	-177.1	179.6	65.5	0	0	0	109.7	I326 S327 F355 A361 T364 F390	I326-L353 CarbonylContact C-O 3.43Å; I326-L353 WeakPolarHBondContact CA-O 2.99Å; S327-L353 PolarHBondContact N-O 2.91Å; S327-L353 PolarHBondContact O-N 2.91Å; S327-L353 PolarHBondContact OG-O 3.26Å; L353-F355 HydrophobicContact CB-CZ 4.49Å; L353-F355 HydrophobicContact CD2-CE1 3.88Å; L353-F355 HydrophobicContact CD2-CZ 3.79Å; L353-F355 HydrophobicContact CG-CE1 4.22Å; L353-F355 HydrophobicContact CG-CZ 4.04Å; L353-F355 WeakPolarHBondContact O-CE2 3.47Å; L353-A361 HydrophobicContact CD2-CB 4.24Å; L353-T364 HydrophobicContact CD1-CG2 3.94Å; L353-T364 HydrophobicContact CD2-CG2 4.06Å; L353-F390 HydrophobicContact CD2-CD2 4.37Å; L353-F390 HydrophobicContact CD2-CE1 4.35Å; L353-F390 HydrophobicContact CD2-CE2 4.06Å; L353-F390 HydrophobicContact CD2-CZ 4.06Å
354	K	93.8	Very high	85.1	Confident	80 Å²	80	45.5 Å²	45.5	35%	0.348	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	146.1	174.6	64.2	175.2	179.7	160.1	0	111.5	L246 P324 A325 I326 E356	L246-K354 HydrophobicContact CD1-CB 4.33Å; L246-K354 HydrophobicContact CD1-CD 4.15Å; L246-K354 HydrophobicContact CD2-CD 4.06Å; P324-K354 HydrophobicContact CB-CB 4.48Å; P324-K354 HydrophobicContact CG-CB 3.98Å; P324-K354 HydrophobicContact CG-CD 4.39Å; A325-K354 WeakPolarHBondContact O-CA 3.36Å; I326-K354 HydrophobicContact CG1-CB 4.11Å; K354-E356 WeakPolarHBondContact CE-OE1 3.3Å; K354-E356 IonicContact NZ-OE1 3.6Å; K354-E356 PolarHBondContact NZ-OE1 3.39Å
355	F	92.2	Very high	83.8	Confident	23 Å²	23	52.9 Å²	52.9	10%	0.101	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.1	177.4	-58.5	-81.4	0	0	0	110.2	P324 A325 S327 L353 A361 R387 F390	P324-F355 VanDerWaalsContact CB-O 3.24Å; P324-F355 WeakPolarHBondContact CB-O 3.41Å; A325-F355 PolarHBondContact O-N 3.46Å; S327-F355 WeakPolarHBondContact OG-CE2 3.49Å; L353-F355 HydrophobicContact CB-CZ 4.49Å; L353-F355 HydrophobicContact CD2-CE1 3.88Å; L353-F355 HydrophobicContact CD2-CZ 3.79Å; L353-F355 HydrophobicContact CG-CE1 4.22Å; L353-F355 HydrophobicContact CG-CZ 4.04Å; L353-F355 WeakPolarHBondContact O-CE2 3.47Å; F355-A361 HydrophobicContact CE1-CB 4.23Å; F355-R387 HydrophobicContact CB-CB 4.06Å; F355-R387 HydrophobicContact CB-CG 3.96Å; F355-R387 HydrophobicContact CD1-CB 3.87Å; F355-R387 HydrophobicContact CD1-CG 4.38Å; F355-R387 HydrophobicContact CD2-CB 4.1Å; F355-R387 HydrophobicContact CD2-CG 3.7Å; F355-R387 HydrophobicContact CE1-CB 4.39Å; F355-R387 HydrophobicContact CE2-CG 4.3Å; F355-R387 HydrophobicContact CG-CB 3.73Å; F355-R387 HydrophobicContact CG-CG 3.74Å; F355-F390 AromaticContact CE1-CD2 3.78Å; F355-F390 HydrophobicContact CE1-CD2 3.78Å; F355-F390 HydrophobicContact CE1-CE2 4.36Å; F355-F390 HydrophobicContact CE1-CG 4.43Å; F355-F390 HydrophobicContact CE2-CB 4.11Å; F355-F390 HydrophobicContact CZ-CB 3.56Å; F355-F390 AromaticContact CZ-CD2 3.52Å; F355-F390 HydrophobicContact CZ-CD2 3.52Å; F355-F390 HydrophobicContact CZ-CE2 4.38Å; F355-F390 AromaticContact CZ-CG 3.71Å; F355-F390 HydrophobicContact CZ-CG 3.71Å
356	E	85.3	Confident	82.6	Confident	61 Å²	61	53.6 Å²	53.6	29%	0.285	33%	0.331	S	S	.	.			trans	-110	136.5	176.8	-67.6	176	-168.7	0	0	109.1	P324 K354 G358 K359	P324-E356 HydrophobicContact CB-CG 4.32Å; K354-E356 WeakPolarHBondContact CE-OE1 3.3Å; K354-E356 IonicContact NZ-OE1 3.6Å; K354-E356 PolarHBondContact NZ-OE1 3.39Å; E356-G358 PolarHBondContact O-N 2.85Å; E356-K359 HydrophobicContact CB-CB 4.37Å; E356-K359 HydrophobicContact CB-CD 4.11Å; E356-K359 HydrophobicContact CB-CG 4.34Å; E356-K359 PolarHBondContact O-N 3.3Å; E356-K359 VanDerWaalsContact O-N 3.09Å; E356-K359 VanDerWaalsContact OE2-CD 3.26Å; E356-K359 WeakPolarHBondContact OE2-CD 3.07Å; E356-K359 WeakPolarHBondContact OE2-CE 3.19Å; E356-K359 IonicContact OE2-NZ 2.67Å; E356-K359 PolarHBondContact OE2-NZ 3.36Å
357	A	78.2	Confident	81.8	Confident	99 Å²	99	57.9 Å²	57.9	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	129.3	179.8	0	0	0	0	0	111	K359	A357-K359 VanDerWaalsContact C-N 3.29Å; A357-K359 PolarHBondContact O-N 2.92Å
358	G	69.9	Low	81.4	Confident	92 Å²	92	59 Å²	59	95%	0.948	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	2.4	179.3	0	0	0	0	0	115.6	E356	E356-G358 PolarHBondContact O-N 2.85Å
359	K	77.9	Confident	81.2	Confident	146 Å²	146	58.8 Å²	58.8	64%	0.635	36%	0.359	S	S	*	.			trans	-106.4	135.2	170.8	-63	-170.6	-174	170.9	0	110.4	E356 A357	E356-K359 HydrophobicContact CB-CB 4.37Å; E356-K359 HydrophobicContact CB-CD 4.11Å; E356-K359 HydrophobicContact CB-CG 4.34Å; E356-K359 PolarHBondContact O-N 3.3Å; E356-K359 VanDerWaalsContact O-N 3.09Å; E356-K359 VanDerWaalsContact OE2-CD 3.26Å; E356-K359 WeakPolarHBondContact OE2-CD 3.07Å; E356-K359 WeakPolarHBondContact OE2-CE 3.19Å; E356-K359 IonicContact OE2-NZ 2.67Å; E356-K359 PolarHBondContact OE2-NZ 3.36Å; A357-K359 VanDerWaalsContact C-N 3.29Å; A357-K359 PolarHBondContact O-N 2.92Å
360	S	69.8	Low	81.1	Confident	112 Å²	112	60.8 Å²	60.8	78%	0.783	37%	0.372	S	S	*	.			trans	-68.9	154.8	170.7	63.6	0	0	0	0	110.1	G362	S360-G362 PolarHBondContact O-N 2.94Å
361	A	66.7	Low	81.2	Confident	15 Å²	15	67 Å²	67	12%	0.124	39%	0.394	C	S	.	.			trans	-67.2	8.8	175.8	0	0	0	0	0	114.2	L353 F355 T364 F385	L353-A361 HydrophobicContact CD2-CB 4.24Å; F355-A361 HydrophobicContact CE1-CB 4.23Å; A361-T364 WeakPolarHBondContact O-CG2 3.45Å; A361-T364 PolarHBondContact O-OG1 3.42Å; A361-F385 HydrophobicContact CB-CB 4.37Å
362	G	62.4	Low	81.4	Confident	42 Å²	42	66.5 Å²	66.5	43%	0.433	39%	0.39	S	S	.	.			trans	64.9	-171.9	-177.8	0	0	0	0	0	114.4	S360 T364	S360-G362 PolarHBondContact O-N 2.94Å; G362-T364 PolarHBondContact O-N 3.43Å
363	D	60.6	Low	81.5	Confident	172 Å²	172	67 Å²	67	92%	0.92	39%	0.392	S	S	*	.	S	Bend	trans	-74.6	51.8	172.6	-64	-32.9	0	0	0	111.2
364	T	67	Low	81.7	Confident	31 Å²	31	66.4 Å²	66.4	19%	0.19	39%	0.389	C	S	.	.			trans	-76.1	127.7	-179.7	38.1	0	0	0	0	110.2	L353 A361 G362 G366 F385	L353-T364 HydrophobicContact CD1-CG2 3.94Å; L353-T364 HydrophobicContact CD2-CG2 4.06Å; A361-T364 WeakPolarHBondContact O-CG2 3.45Å; A361-T364 PolarHBondContact O-OG1 3.42Å; G362-T364 PolarHBondContact O-N 3.43Å; T364-G366 PolarHBondContact O-N 3.41Å; T364-F385 WeakPolarHBondContact O-CE1 3.46Å; T364-F385 WeakPolarHBondContact O-CZ 3.31Å
365	H	70.1	Confident	81.9	Confident	154 Å²	154	62.6 Å²	62.6	71%	0.713	37%	0.372	S	S	*	.			trans	-69.2	123.1	172	-72.3	-73.9	0	0	0	109.7	R329 V368	R329-H365 PolarHBondContact NH2-O 3.38Å; H365-V368 HydrophobicContact CB-CG1 4.28Å
366	G	74.1	Confident	82.2	Confident	16 Å²	16	61.5 Å²	61.5	17%	0.165	37%	0.367	C	S	.	.	S	Bend	trans	-65.6	-37.4	-178	0	0	0	0	0	114.4	T364 V368 I383	T364-G366 PolarHBondContact O-N 3.41Å; G366-V368 VanDerWaalsContact C-N 3.34Å; G366-V368 PolarHBondContact O-N 3.05Å; G366-V368 VanDerWaalsContact O-N 3.07Å; G366-I383 WeakPolarHBondContact O-CD1 3.42Å
367	Q	83	Confident	82.7	Confident	91 Å²	91	60 Å²	60	43%	0.425	36%	0.36	S	S	.	.	S	Bend	trans	-86.9	64.2	-176.1	-73.8	179.1	-21.4	0	0	112.9	V378 L379	Q367-V378 HydrophobicContact CG-CG1 4.38Å; Q367-V378 WeakPolarHBondContact CG-O 3.49Å; Q367-V378 PolarHBondContact NE2-O 2.84Å; Q367-V378 VanDerWaalsContact NE2-O 3.12Å; Q367-L379 PolarHBondContact NE2-O 3.15Å
368	V	88.5	Confident	83.5	Confident	30 Å²	30	55.4 Å²	55.4	18%	0.182	32%	0.322	C	S	.	.			trans	-118.5	161.6	169.6	-52.4	0	0	0	0	110.5	R329 L351 H365 G366 M374	R329-V368 HydrophobicContact CB-CG2 4.38Å; L351-V368 HydrophobicContact CD1-CB 4.25Å; L351-V368 HydrophobicContact CD1-CG2 4.11Å; L351-V368 HydrophobicContact CD2-CB 4.41Å; L351-V368 HydrophobicContact CD2-CG2 4.4Å; H365-V368 HydrophobicContact CB-CG1 4.28Å; G366-V368 VanDerWaalsContact C-N 3.34Å; G366-V368 PolarHBondContact O-N 3.05Å; G366-V368 VanDerWaalsContact O-N 3.07Å; V368-M374 WeakPolarHBondContact O-CE 3.33Å
369	G	91.7	Very high	84.7	Confident	16 Å²	16	51 Å²	51	17%	0.165	28%	0.277	C	S	.	.	S	Bend	trans	107.4	-171.9	-178.8	0	0	0	0	0	111.1	D330 M374	D330-G369 WeakPolarHBondContact OD1-CA 3.43Å; G369-M374 WeakPolarHBondContact O-CE 3.2Å
370	T	94.9	Very high	85.4	Confident	42 Å²	42	49.2 Å²	49.2	26%	0.258	27%	0.271	S	S	.	.			trans	-86.4	118.9	-178.3	-55.2	0	0	0	0	110.1	D330 K332 R372 Y373 M374	D330-T370 WeakPolarHBondContact OD1-CB 3.35Å; D330-T370 PolarHBondContact OD1-N 3.37Å; D330-T370 PolarHBondContact OD1-OG1 3.39Å; K332-T370 HydrophobicContact CD-CG2 4.4Å; K332-T370 WeakPolarHBondContact CD-OG1 3.35Å; K332-T370 PolarHBondContact NZ-OG1 3.42Å; T370-R372 VanDerWaalsContact C-N 3.28Å; T370-R372 HydrophobicContact CG2-CG 4.16Å; T370-R372 PolarHBondContact O-N 3.42Å; T370-R372 VanDerWaalsContact O-N 3.07Å; T370-Y373 HydrophobicContact CG2-CD2 3.95Å; T370-Y373 HydrophobicContact CG2-CE2 4.43Å; T370-Y373 PolarHBondContact O-N 3.34Å; T370-M374 PolarHBondContact O-N 2.71Å
371	R	95.7	Very high	86.3	Confident	136 Å²	136	46 Å²	46	51%	0.513	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-46.9	-44.8	-171.4	-63.9	-171.1	-169.1	114.5	2.3	114.6	Y373 M374 M436	R371-Y373 PolarHBondContact O-N 2.88Å; R371-Y373 VanDerWaalsContact O-N 3.17Å; R371-M374 HydrophobicContact CG-SD 4.41Å; R371-M374 WeakPolarHBondContact O-CB 3.49Å; R371-M374 PolarHBondContact O-N 2.98Å; R371-M374 VanDerWaalsContact O-N 3.09Å; R371-M436 HydrophobicContact CB-CG 4.21Å
372	R	97.8	Very high	87.1	Confident	12 Å²	12	48.8 Å²	48.8	5%	0.045	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-65.5	-17.1	-178.4	72.6	170.6	55.8	-101.5	1.7	115.6	T370 P422 F423 G428 Q429 P431 M436	T370-R372 VanDerWaalsContact C-N 3.28Å; T370-R372 HydrophobicContact CG2-CG 4.16Å; T370-R372 PolarHBondContact O-N 3.42Å; T370-R372 VanDerWaalsContact O-N 3.07Å; R372-P422 PolarHBondContact NH1-O 3.16Å; R372-F423 WeakPolarHBondContact O-CD2 3.37Å; R372-G428 PolarHBondContact NH2-O 3.15Å; R372-Q429 PolarHBondContact NH2-O 2.96Å; R372-P431 HydrophobicContact CB-CG 4.32Å; R372-P431 VanDerWaalsContact NH2-CD 3.25Å; R372-M436 HydrophobicContact CB-CE 4.49Å; R372-M436 HydrophobicContact CB-SD 4.12Å
373	Y	98.4	Very high	88.1	Confident	11 Å²	11	47.6 Å²	47.6	4%	0.043	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-104.6	1.5	177.5	-65.4	-91	0	0	0	112.5	K332 S333 T370 R371 L400 V401 E404 P422	K332-Y373 HydrophobicContact CB-CD1 4.08Å; K332-Y373 HydrophobicContact CB-CD2 3.68Å; K332-Y373 HydrophobicContact CB-CE1 3.89Å; K332-Y373 HydrophobicContact CB-CE2 3.48Å; K332-Y373 VanDerWaalsContact CB-CE2 3.48Å; K332-Y373 HydrophobicContact CB-CG 3.99Å; S333-Y373 PolarHBondContact OG-OH 3.27Å; T370-Y373 HydrophobicContact CG2-CD2 3.95Å; T370-Y373 HydrophobicContact CG2-CE2 4.43Å; T370-Y373 PolarHBondContact O-N 3.34Å; R371-Y373 PolarHBondContact O-N 2.88Å; R371-Y373 VanDerWaalsContact O-N 3.17Å; Y373-L400 HydrophobicContact CD1-CB 3.96Å; Y373-L400 HydrophobicContact CD1-CD1 3.92Å; Y373-L400 HydrophobicContact CE1-CB 4.08Å; Y373-L400 HydrophobicContact CG-CD1 4.42Å; Y373-V401 HydrophobicContact CE1-CG2 4.01Å; Y373-E404 VanDerWaalsContact CE1-OE1 3.32Å; Y373-E404 WeakPolarHBondContact CE1-OE1 3.14Å; Y373-E404 VanDerWaalsContact OH-CD 3.29Å; Y373-E404 PolarHBondContact OH-OE1 3.21Å; Y373-E404 PolarHBondContact OH-OE2 3.13Å; Y373-P422 HydrophobicContact CE1-CG 3.84Å; Y373-P422 WeakPolarHBondContact OH-CD 3.44Å
374	M	98	Very high	89.1	Confident	13 Å²	13	43.6 Å²	43.6	6%	0.064	24%	0.241	C	C	.	.			trans	-71.2	131.9	-180	-72	179.2	170.7	0	0	110.8	V368 G369 T370 R371 V378 L379 Y396	V368-M374 WeakPolarHBondContact O-CE 3.33Å; G369-M374 WeakPolarHBondContact O-CE 3.2Å; T370-M374 PolarHBondContact O-N 2.71Å; R371-M374 HydrophobicContact CG-SD 4.41Å; R371-M374 WeakPolarHBondContact O-CB 3.49Å; R371-M374 PolarHBondContact O-N 2.98Å; R371-M374 VanDerWaalsContact O-N 3.09Å; M374-V378 HydrophobicContact CB-CB 4.14Å; M374-V378 HydrophobicContact CB-CG1 4.03Å; M374-V378 HydrophobicContact CE-CG1 4.47Å; M374-V378 HydrophobicContact CG-CG1 3.88Å; M374-V378 HydrophobicContact SD-CG1 3.94Å; M374-L379 HydrophobicContact CB-CD2 3.71Å; M374-L379 HydrophobicContact CB-CG 3.86Å; M374-L379 HydrophobicContact CG-CD2 4.47Å; M374-L379 HydrophobicContact SD-CD2 4.03Å; M374-Y396 VanDerWaalsContact O-CE1 3.29Å; M374-Y396 WeakPolarHBondContact O-CE1 3.46Å
375	A	98	Very high	89.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.			trans	-65.9	156.9	173.8	0	0	0	0	0	111.6	E377 V378 L379 I393 Y396	A375-E377 VanDerWaalsContact C-N 3.31Å; A375-E377 WeakPolarHBondContact CB-OE1 3.42Å; A375-E377 WeakPolarHBondContact CB-OE2 3.07Å; A375-E377 PolarHBondContact O-N 3.35Å; A375-V378 HydrophobicContact CB-CG2 4.11Å; A375-V378 WeakPolarHBondContact O-CA 3.48Å; A375-V378 VanDerWaalsContact O-CB 3.32Å; A375-V378 WeakPolarHBondContact O-CB 3.46Å; A375-V378 PolarHBondContact O-N 3.23Å; A375-L379 PolarHBondContact O-N 3.39Å; A375-I393 HydrophobicContact CB-CG1 4.3Å; A375-I393 HydrophobicContact CB-CG2 4.49Å; A375-Y396 VanDerWaalsContact CA-CD1 3.46Å; A375-Y396 HydrophobicContact CB-CD1 3.81Å; A375-Y396 HydrophobicContact CB-CD2 4.22Å; A375-Y396 HydrophobicContact CB-CG 3.66Å
376	P	97.8	Very high	90.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-50	-47.3	-178.7	-24.3	29.7	0	0	0	113.7	V378 L379 E380 Y396 V440 V441	P376-V378 PolarHBondContact O-N 2.83Å; P376-L379 WeakPolarHBondContact O-CB 3.21Å; P376-L379 PolarHBondContact O-N 2.83Å; P376-L379 VanDerWaalsContact O-N 3.08Å; P376-E380 PolarHBondContact O-N 3.45Å; P376-Y396 HydrophobicContact CG-CE2 4.36Å; P376-V440 HydrophobicContact CB-CG1 4.36Å; P376-V440 HydrophobicContact CG-CG1 3.81Å; P376-V441 HydrophobicContact CB-CG2 4.19Å
377	E	95.6	Very high	91.5	Very high	28 Å²	28	49.1 Å²	49.1	13%	0.131	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-25.9	-179.4	67.2	-82.8	-164	0	0	113.2	A375 G381 A382 I383 I393 R477	A375-E377 VanDerWaalsContact C-N 3.31Å; A375-E377 WeakPolarHBondContact CB-OE1 3.42Å; A375-E377 WeakPolarHBondContact CB-OE2 3.07Å; A375-E377 PolarHBondContact O-N 3.35Å; E377-G381 PolarHBondContact O-N 3.2Å; E377-A382 PolarHBondContact O-N 3.31Å; E377-I383 WeakPolarHBondContact O-CG1 3.4Å; E377-I393 WeakPolarHBondContact OE1-CG1 3.43Å; E377-R477 IonicContact OE1-CZ 3.76Å; E377-R477 IonicContact OE1-NH1 3.57Å; E377-R477 PolarHBondContact OE1-NH1 2.87Å; E377-R477 IonicContact OE1-NH2 3.71Å; E377-R477 PolarHBondContact OE1-NH2 3.38Å; E377-R477 IonicContact OE2-CZ 2.72Å; E377-R477 IonicContact OE2-NH1 3.94Å; E377-R477 IonicContact OE2-NH2 2.8Å; E377-R477 PolarHBondContact OE2-NH2 3.17Å
378	V	95.4	Very high	91.9	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-73.5	-45.8	172.8	-178.1	0	0	0	0	109.7	Q367 M374 A375 P376 E380 G381 I383 I393	Q367-V378 HydrophobicContact CG-CG1 4.38Å; Q367-V378 WeakPolarHBondContact CG-O 3.49Å; Q367-V378 PolarHBondContact NE2-O 2.84Å; Q367-V378 VanDerWaalsContact NE2-O 3.12Å; M374-V378 HydrophobicContact CB-CB 4.14Å; M374-V378 HydrophobicContact CB-CG1 4.03Å; M374-V378 HydrophobicContact CE-CG1 4.47Å; M374-V378 HydrophobicContact CG-CG1 3.88Å; M374-V378 HydrophobicContact SD-CG1 3.94Å; A375-V378 HydrophobicContact CB-CG2 4.11Å; A375-V378 WeakPolarHBondContact O-CA 3.48Å; A375-V378 VanDerWaalsContact O-CB 3.32Å; A375-V378 WeakPolarHBondContact O-CB 3.46Å; A375-V378 PolarHBondContact O-N 3.23Å; P376-V378 PolarHBondContact O-N 2.83Å; V378-E380 VanDerWaalsContact C-N 3.28Å; V378-E380 PolarHBondContact O-N 3.16Å; V378-G381 PolarHBondContact O-N 3.24Å; V378-I383 HydrophobicContact CB-CD1 4.02Å; V378-I383 HydrophobicContact CB-CG1 4.49Å; V378-I383 HydrophobicContact CG1-CD1 4.07Å; V378-I383 HydrophobicContact CG2-CD1 3.68Å; V378-I383 HydrophobicContact CG2-CG1 4.2Å; V378-I393 HydrophobicContact CG2-CB 4.4Å; V378-I393 HydrophobicContact CG2-CD1 3.49Å; V378-I393 VanDerWaalsContact CG2-CD1 3.49Å; V378-I393 HydrophobicContact CG2-CG1 3.66Å; V378-I393 HydrophobicContact CG2-CG2 3.81Å
379	L	95.8	Very high	92.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-37.5	178.8	-66.4	171	0	0	0	111.6	Q367 M374 A375 P376 G381 L433 M436 Q437 V440 V441	Q367-L379 PolarHBondContact NE2-O 3.15Å; M374-L379 HydrophobicContact CB-CD2 3.71Å; M374-L379 HydrophobicContact CB-CG 3.86Å; M374-L379 HydrophobicContact CG-CD2 4.47Å; M374-L379 HydrophobicContact SD-CD2 4.03Å; A375-L379 PolarHBondContact O-N 3.39Å; P376-L379 WeakPolarHBondContact O-CB 3.21Å; P376-L379 PolarHBondContact O-N 2.83Å; P376-L379 VanDerWaalsContact O-N 3.08Å; L379-G381 VanDerWaalsContact C-N 3.26Å; L379-G381 PolarHBondContact O-N 3.12Å; L379-L433 HydrophobicContact CD2-CD1 3.62Å; L379-M436 HydrophobicContact CD1-CB 3.99Å; L379-M436 HydrophobicContact CD1-CE 4.4Å; L379-M436 HydrophobicContact CD2-CB 3.62Å; L379-M436 HydrophobicContact CD2-CG 4.44Å; L379-M436 HydrophobicContact CG-CB 4.47Å; L379-Q437 HydrophobicContact CB-CG 3.97Å; L379-Q437 PolarHBondContact O-NE2 3.04Å; L379-V440 HydrophobicContact CD1-CB 3.74Å; L379-V440 HydrophobicContact CD1-CG1 3.84Å; L379-V440 HydrophobicContact CD1-CG2 4.22Å; L379-V441 HydrophobicContact CB-CG2 3.91Å; L379-V441 HydrophobicContact CD1-CG2 4.15Å
380	E	92	Very high	92.3	Very high	108 Å²	108	46.9 Å²	46.9	51%	0.505	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13	174.7	-68.2	-179.5	108.3	0	0	113.5	P376 V378 A382 V441	P376-E380 PolarHBondContact O-N 3.45Å; V378-E380 VanDerWaalsContact C-N 3.28Å; V378-E380 PolarHBondContact O-N 3.16Å; E380-A382 HydrophobicContact CB-CB 4.25Å; E380-A382 PolarHBondContact O-N 2.8Å; E380-V441 HydrophobicContact CG-CB 4.44Å; E380-V441 HydrophobicContact CG-CG1 3.62Å; E380-V441 HydrophobicContact CG-CG2 4.01Å; E380-V441 WeakPolarHBondContact OE1-CG1 3.37Å
381	G	88.7	Confident	92.4	Very high	46 Å²	46	46.1 Å²	46.1	47%	0.474	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	16.7	-175.2	0	0	0	0	0	113.5	E377 V378 L379	E377-G381 PolarHBondContact O-N 3.2Å; V378-G381 PolarHBondContact O-N 3.24Å; L379-G381 VanDerWaalsContact C-N 3.26Å; L379-G381 PolarHBondContact O-N 3.12Å
382	A	84.2	Confident	92.5	Very high	72 Å²	72	42.9 Å²	42.9	60%	0.595	23%	0.225	S	C	*	.			trans	-105	48.1	-173.4	0	0	0	0	0	111.9	E377 E380	E377-A382 PolarHBondContact O-N 3.31Å; E380-A382 HydrophobicContact CB-CB 4.25Å; E380-A382 PolarHBondContact O-N 2.8Å
383	I	83.1	Confident	92.5	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.087	23%	0.227	C	C	.	.			trans	-88.2	134.8	-176.7	-50.9	173.2	0	0	0	110.6	G366 E377 V378 I393	G366-I383 WeakPolarHBondContact O-CD1 3.42Å; E377-I383 WeakPolarHBondContact O-CG1 3.4Å; V378-I383 HydrophobicContact CB-CD1 4.02Å; V378-I383 HydrophobicContact CB-CG1 4.49Å; V378-I383 HydrophobicContact CG1-CD1 4.07Å; V378-I383 HydrophobicContact CG2-CD1 3.68Å; V378-I383 HydrophobicContact CG2-CG1 4.2Å; I383-I393 HydrophobicContact CD1-CD1 4.01Å; I383-I393 HydrophobicContact CG1-CD1 4.38Å; I383-I393 HydrophobicContact CG2-CD1 3.85Å
384	N	81.3	Confident	92.5	Very high	88 Å²	88	42.6 Å²	42.6	47%	0.471	23%	0.225	S	C	.	.			trans	-78.5	126.8	165.6	-172.5	5.8	0	0	0	110.3	Q386 A389	N384-Q386 PolarHBondContact ND2-OE1 3.28Å; N384-Q386 VanDerWaalsContact ND2-OE1 3.11Å; N384-Q386 PolarHBondContact O-N 2.84Å; N384-Q386 WeakPolarHBondContact OD1-CG 3.48Å; N384-A389 HydrophobicContact CB-CB 4.25Å; N384-A389 WeakPolarHBondContact O-CB 3.38Å
385	F	83.5	Confident	92.5	Very high	100 Å²	100	42.1 Å²	42.1	44%	0.439	22%	0.223	S	C	.	.			trans	-78.6	49.4	-178.1	-66.8	-78.4	0	0	0	113.2	A361 T364 F390	A361-F385 HydrophobicContact CB-CB 4.37Å; T364-F385 WeakPolarHBondContact O-CE1 3.46Å; T364-F385 WeakPolarHBondContact O-CZ 3.31Å; F385-F390 HydrophobicContact CD1-CE2 4.04Å; F385-F390 AromaticContact CD1-CZ 3.92Å; F385-F390 HydrophobicContact CD1-CZ 3.92Å; F385-F390 HydrophobicContact CE1-CZ 4.28Å
386	Q	87.2	Confident	92.6	Very high	113 Å²	113	42.1 Å²	42.1	53%	0.528	22%	0.223	S	C	.	.	S	Bend	trans	-114.2	151.7	177.6	-70.9	-179.3	-3.6	0	0	110.7	N384 D388 A389 F390	N384-Q386 PolarHBondContact ND2-OE1 3.28Å; N384-Q386 VanDerWaalsContact ND2-OE1 3.11Å; N384-Q386 PolarHBondContact O-N 2.84Å; N384-Q386 WeakPolarHBondContact OD1-CG 3.48Å; Q386-D388 VanDerWaalsContact C-N 3.35Å; Q386-D388 PolarHBondContact O-N 2.96Å; Q386-A389 WeakPolarHBondContact O-CB 3.35Å; Q386-A389 PolarHBondContact O-N 2.84Å; Q386-F390 WeakPolarHBondContact O-CD2 3.43Å; Q386-F390 PolarHBondContact O-N 3.36Å
387	R	90.7	Very high	92.6	Very high	105 Å²	105	42.3 Å²	42.3	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-45.9	-58.3	178.7	178.5	-169.8	67.2	-163.5	-3.6	111.4	A325 F355 A389 F390 L391	A325-R387 HydrophobicContact CB-CG 4.23Å; F355-R387 HydrophobicContact CB-CB 4.06Å; F355-R387 HydrophobicContact CB-CG 3.96Å; F355-R387 HydrophobicContact CD1-CB 3.87Å; F355-R387 HydrophobicContact CD1-CG 4.38Å; F355-R387 HydrophobicContact CD2-CB 4.1Å; F355-R387 HydrophobicContact CD2-CG 3.7Å; F355-R387 HydrophobicContact CE1-CB 4.39Å; F355-R387 HydrophobicContact CE2-CG 4.3Å; F355-R387 HydrophobicContact CG-CB 3.73Å; F355-R387 HydrophobicContact CG-CG 3.74Å; R387-A389 VanDerWaalsContact C-N 3.26Å; R387-A389 PolarHBondContact O-N 3.08Å; R387-F390 PolarHBondContact O-N 3.14Å; R387-L391 HydrophobicContact CG-CD1 4.07Å; R387-L391 HydrophobicContact CG-CG 4.24Å; R387-L391 WeakPolarHBondContact O-CG 3.28Å; R387-L391 PolarHBondContact O-N 3.36Å
388	D	91.8	Very high	92.8	Very high	70 Å²	70	41 Å²	41	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-30.6	-170	-57.7	-19.4	0	0	0	112.3	Q386 L391 R392	Q386-D388 VanDerWaalsContact C-N 3.35Å; Q386-D388 PolarHBondContact O-N 2.96Å; D388-L391 PolarHBondContact O-N 3.41Å; D388-R392 WeakPolarHBondContact O-CB 3.22Å; D388-R392 VanDerWaalsContact O-CD 3.3Å; D388-R392 WeakPolarHBondContact O-CD 3.19Å; D388-R392 WeakPolarHBondContact O-CG 3.35Å; D388-R392 PolarHBondContact O-N 3.1Å
389	A	92.9	Very high	92.9	Very high	17 Å²	17	40.9 Å²	40.9	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-44.8	173.5	0	0	0	0	0	111.8	N384 Q386 R387 R392 I393	N384-A389 HydrophobicContact CB-CB 4.25Å; N384-A389 WeakPolarHBondContact O-CB 3.38Å; Q386-A389 WeakPolarHBondContact O-CB 3.35Å; Q386-A389 PolarHBondContact O-N 2.84Å; R387-A389 VanDerWaalsContact C-N 3.26Å; R387-A389 PolarHBondContact O-N 3.08Å; A389-R392 PolarHBondContact O-N 2.66Å; A389-I393 WeakPolarHBondContact O-CG1 3.44Å; A389-I393 PolarHBondContact O-N 3.35Å; A389-I393 VanDerWaalsContact O-N 3.1Å
390	F	94.6	Very high	93.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-35.5	175.6	-78	-80.5	0	0	0	113.1	R329 L353 F355 F385 Q386 R387 I393 D394	R329-F390 HydrophobicContact CG-CD1 4.19Å; L353-F390 HydrophobicContact CD2-CD2 4.37Å; L353-F390 HydrophobicContact CD2-CE1 4.35Å; L353-F390 HydrophobicContact CD2-CE2 4.06Å; L353-F390 HydrophobicContact CD2-CZ 4.06Å; F355-F390 AromaticContact CE1-CD2 3.78Å; F355-F390 HydrophobicContact CE1-CD2 3.78Å; F355-F390 HydrophobicContact CE1-CE2 4.36Å; F355-F390 HydrophobicContact CE1-CG 4.43Å; F355-F390 HydrophobicContact CE2-CB 4.11Å; F355-F390 HydrophobicContact CZ-CB 3.56Å; F355-F390 AromaticContact CZ-CD2 3.52Å; F355-F390 HydrophobicContact CZ-CD2 3.52Å; F355-F390 HydrophobicContact CZ-CE2 4.38Å; F355-F390 AromaticContact CZ-CG 3.71Å; F355-F390 HydrophobicContact CZ-CG 3.71Å; F385-F390 HydrophobicContact CD1-CE2 4.04Å; F385-F390 AromaticContact CD1-CZ 3.92Å; F385-F390 HydrophobicContact CD1-CZ 3.92Å; F385-F390 HydrophobicContact CE1-CZ 4.28Å; Q386-F390 WeakPolarHBondContact O-CD2 3.43Å; Q386-F390 PolarHBondContact O-N 3.36Å; R387-F390 PolarHBondContact O-N 3.14Å; F390-I393 HydrophobicContact CD1-CD1 4.34Å; F390-I393 WeakPolarHBondContact O-CB 3.39Å; F390-I393 PolarHBondContact O-N 3.31Å; F390-D394 PolarHBondContact O-N 2.95Å
391	L	97.1	Very high	93.4	Very high	26 Å²	26	35.7 Å²	35.7	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-42.7	174.6	-55	-172	0	0	0	110.7	H312 R387 D388 I393 D394 M395	H312-L391 HydrophobicContact CB-CD1 4.22Å; H312-L391 HydrophobicContact CB-CD2 4.16Å; R387-L391 HydrophobicContact CG-CD1 4.07Å; R387-L391 HydrophobicContact CG-CG 4.24Å; R387-L391 WeakPolarHBondContact O-CG 3.28Å; R387-L391 PolarHBondContact O-N 3.36Å; D388-L391 PolarHBondContact O-N 3.41Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 PolarHBondContact O-N 3.1Å; L391-D394 WeakPolarHBondContact O-CB 3.25Å; L391-D394 PolarHBondContact O-N 3.1Å; L391-D394 VanDerWaalsContact O-N 3.15Å; L391-M395 WeakPolarHBondContact O-CG 3.43Å; L391-M395 PolarHBondContact O-N 3.33Å; L391-M395 VanDerWaalsContact O-N 3.1Å
392	R	98.1	Very high	93.9	Very high	68 Å²	68	33.6 Å²	33.6	26%	0.257	17%	0.171	S	C	.	.	H	α-helix	trans	-63.8	-29	176.1	-71.3	160	172.3	-177.9	-0.6	113.3	D388 A389 M395 Y396 A474 E475 R477	D388-R392 WeakPolarHBondContact O-CB 3.22Å; D388-R392 VanDerWaalsContact O-CD 3.3Å; D388-R392 WeakPolarHBondContact O-CD 3.19Å; D388-R392 WeakPolarHBondContact O-CG 3.35Å; D388-R392 PolarHBondContact O-N 3.1Å; A389-R392 PolarHBondContact O-N 2.66Å; R392-M395 PolarHBondContact O-N 3.34Å; R392-Y396 PolarHBondContact O-N 3.47Å; R392-Y396 VanDerWaalsContact O-N 3.14Å; R392-A474 HydrophobicContact CB-CB 4.29Å; R392-A474 WeakPolarHBondContact CD-O 3.34Å; R392-A474 VanDerWaalsContact CG-O 3.31Å; R392-A474 WeakPolarHBondContact CG-O 3.39Å; R392-A474 PolarHBondContact NE-O 3.04Å; R392-E475 IonicContact CZ-OE1 3.34Å; R392-E475 IonicContact NH1-OE1 3.64Å; R392-E475 PolarHBondContact NH1-OE1 3.26Å; R392-E475 IonicContact NH2-OE1 2.7Å; R392-R477 WeakPolarHBondContact O-CD 3.31Å; R392-R477 PolarHBondContact O-NH1 3.15Å
393	I	97.9	Very high	94.6	Very high	17 Å²	17	31.1 Å²	31.1	9%	0.087	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-44.8	172.2	-70.1	163.7	0	0	0	110.7	A375 E377 V378 I383 A389 F390 L391 M395 Y396 A397	A375-I393 HydrophobicContact CB-CG1 4.3Å; A375-I393 HydrophobicContact CB-CG2 4.49Å; E377-I393 WeakPolarHBondContact OE1-CG1 3.43Å; V378-I393 HydrophobicContact CG2-CB 4.4Å; V378-I393 HydrophobicContact CG2-CD1 3.49Å; V378-I393 VanDerWaalsContact CG2-CD1 3.49Å; V378-I393 HydrophobicContact CG2-CG1 3.66Å; V378-I393 HydrophobicContact CG2-CG2 3.81Å; I383-I393 HydrophobicContact CD1-CD1 4.01Å; I383-I393 HydrophobicContact CG1-CD1 4.38Å; I383-I393 HydrophobicContact CG2-CD1 3.85Å; A389-I393 WeakPolarHBondContact O-CG1 3.44Å; A389-I393 PolarHBondContact O-N 3.35Å; A389-I393 VanDerWaalsContact O-N 3.1Å; F390-I393 HydrophobicContact CD1-CD1 4.34Å; F390-I393 WeakPolarHBondContact O-CB 3.39Å; F390-I393 PolarHBondContact O-N 3.31Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 PolarHBondContact O-N 3.1Å; I393-M395 PolarHBondContact O-N 3.41Å; I393-Y396 PolarHBondContact O-N 3.33Å; I393-A397 PolarHBondContact O-N 2.87Å
394	D	98.7	Very high	95.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-35.8	175.4	-74.1	-20.9	0	0	0	111.5	L308 H312 S327 H328 R329 I331 F390 L391 A397 M398	L308-D394 HydrophobicContact CD1-CB 4.39Å; L308-D394 HydrophobicContact CD2-CB 4.39Å; H312-D394 IonicContact CD2-OD2 2.79Å; H312-D394 IonicContact CE1-OD2 2.64Å; H312-D394 IonicContact NE2-OD2 3.97Å; H312-D394 PolarHBondContact NE2-OD2 3.45Å; S327-D394 WeakPolarHBondContact CA-OD2 3.35Å; H328-D394 PolarHBondContact N-OD2 3.27Å; R329-D394 PolarHBondContact N-OD1 2.67Å; I331-D394 HydrophobicContact CG1-CB 4.06Å; F390-D394 PolarHBondContact O-N 2.95Å; L391-D394 WeakPolarHBondContact O-CB 3.25Å; L391-D394 PolarHBondContact O-N 3.1Å; L391-D394 VanDerWaalsContact O-N 3.15Å; D394-A397 PolarHBondContact O-N 2.85Å; D394-M398 WeakPolarHBondContact O-CB 3.18Å; D394-M398 PolarHBondContact O-N 2.84Å
395	M	98.8	Very high	96.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-68.5	-37.9	179.5	-64.5	-50.4	-53.8	0	0	113.1	L308 L391 R392 I393 A397 M398 G399 L478 A480 V483	L308-M395 HydrophobicContact CD2-SD 3.81Å; L391-M395 WeakPolarHBondContact O-CG 3.43Å; L391-M395 PolarHBondContact O-N 3.33Å; L391-M395 VanDerWaalsContact O-N 3.1Å; R392-M395 PolarHBondContact O-N 3.34Å; I393-M395 PolarHBondContact O-N 3.41Å; M395-A397 VanDerWaalsContact C-N 3.34Å; M395-A397 PolarHBondContact O-N 2.83Å; M395-M398 HydrophobicContact CE-SD 3.68Å; M395-M398 PolarHBondContact O-N 2.86Å; M395-M398 HydrophobicContact SD-SD 4.24Å; M395-G399 PolarHBondContact O-N 3.3Å; M395-L478 WeakPolarHBondContact CE-O 3.31Å; M395-L478 WeakPolarHBondContact CG-O 3.45Å; M395-A480 HydrophobicContact CE-CB 4.2Å; M395-A480 HydrophobicContact SD-CB 3.63Å; M395-A480 PolarHBondContact SD-N 2.88Å; M395-V483 HydrophobicContact CE-CB 4.45Å; M395-V483 HydrophobicContact CE-CG2 3.61Å
396	Y	98.9	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57	-49.5	170.2	176.4	-88.1	0	0	0	111.3	M374 A375 P376 R392 I393 M398 G399 L400 V440 C469 W470	M374-Y396 VanDerWaalsContact O-CE1 3.29Å; M374-Y396 WeakPolarHBondContact O-CE1 3.46Å; A375-Y396 VanDerWaalsContact CA-CD1 3.46Å; A375-Y396 HydrophobicContact CB-CD1 3.81Å; A375-Y396 HydrophobicContact CB-CD2 4.22Å; A375-Y396 HydrophobicContact CB-CG 3.66Å; P376-Y396 HydrophobicContact CG-CE2 4.36Å; R392-Y396 PolarHBondContact O-N 3.47Å; R392-Y396 VanDerWaalsContact O-N 3.14Å; I393-Y396 PolarHBondContact O-N 3.33Å; Y396-M398 VanDerWaalsContact C-N 3.33Å; Y396-M398 PolarHBondContact O-N 2.72Å; Y396-G399 PolarHBondContact O-N 2.93Å; Y396-L400 HydrophobicContact CD1-CD1 4.14Å; Y396-L400 HydrophobicContact CE1-CD1 3.58Å; Y396-L400 HydrophobicContact CE1-CG 4.29Å; Y396-L400 PolarHBondContact O-N 2.83Å; Y396-V440 WeakPolarHBondContact OH-CG1 3.47Å; Y396-C469 VanDerWaalsContact CA-O 3.3Å; Y396-C469 WeakPolarHBondContact CA-O 3.39Å; Y396-W470 HydrophobicContact CD2-CB 3.92Å; Y396-W470 HydrophobicContact CE2-CB 3.88Å
397	A	98.9	Very high	97.4	Very high	5 Å²	5	16.4 Å²	16.4	4%	0.041	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-37.4	178.9	0	0	0	0	0	112.2	I331 I393 D394 M395 G399 L400 V401	I331-A397 HydrophobicContact CB-CB 3.79Å; I331-A397 HydrophobicContact CG2-CB 3.98Å; I331-A397 WeakPolarHBondContact O-CB 3.22Å; I393-A397 PolarHBondContact O-N 2.87Å; D394-A397 PolarHBondContact O-N 2.85Å; M395-A397 VanDerWaalsContact C-N 3.34Å; M395-A397 PolarHBondContact O-N 2.83Å; A397-G399 VanDerWaalsContact C-N 3.34Å; A397-G399 PolarHBondContact O-N 3.01Å; A397-L400 WeakPolarHBondContact O-CB 3.25Å; A397-L400 PolarHBondContact O-N 2.65Å; A397-V401 WeakPolarHBondContact O-CG2 3.43Å; A397-V401 PolarHBondContact O-N 2.89Å; A397-V401 VanDerWaalsContact O-N 3.14Å
398	M	98.9	Very high	97.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.3	-39.6	173.8	-174.3	-178.4	172.7	0	0	111.9	M304 A305 L308 I331 D394 M395 Y396 L400 V401 L402 V483	M304-M398 HydrophobicContact CE-CE 3.78Å; M304-M398 HydrophobicContact CE-CG 3.92Å; A305-M398 VanDerWaalsContact CA-CE 3.44Å; A305-M398 HydrophobicContact CB-CE 3.42Å; A305-M398 VanDerWaalsContact CB-CE 3.42Å; L308-M398 HydrophobicContact CD2-CB 4.12Å; L308-M398 HydrophobicContact CD2-CG 4.31Å; L308-M398 HydrophobicContact CD2-SD 3.62Å; I331-M398 HydrophobicContact CG2-CB 4.43Å; D394-M398 WeakPolarHBondContact O-CB 3.18Å; D394-M398 PolarHBondContact O-N 2.84Å; M395-M398 HydrophobicContact CE-SD 3.68Å; M395-M398 PolarHBondContact O-N 2.86Å; M395-M398 HydrophobicContact SD-SD 4.24Å; Y396-M398 VanDerWaalsContact C-N 3.33Å; Y396-M398 PolarHBondContact O-N 2.72Å; M398-L400 VanDerWaalsContact C-N 3.27Å; M398-L400 PolarHBondContact O-N 3.14Å; M398-V401 PolarHBondContact O-N 3.39Å; M398-L402 HydrophobicContact CE-CD1 4.46Å; M398-L402 WeakPolarHBondContact O-CG 3.36Å; M398-L402 PolarHBondContact O-N 3.13Å; M398-V483 HydrophobicContact CE-CB 4.22Å; M398-V483 HydrophobicContact CE-CG1 3.53Å; M398-V483 HydrophobicContact SD-CG1 4.47Å
399	G	98.9	Very high	98	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.2	-41.7	173.7	0	0	0	0	0	112.5	M395 Y396 A397 L402 W403	M395-G399 PolarHBondContact O-N 3.3Å; Y396-G399 PolarHBondContact O-N 2.93Å; A397-G399 VanDerWaalsContact C-N 3.34Å; A397-G399 PolarHBondContact O-N 3.01Å; G399-L402 PolarHBondContact O-N 3.36Å; G399-W403 PolarHBondContact O-N 2.87Å
400	L	98.9	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.4	-38	174.4	-61.5	171.4	0	0	0	112.5	Y373 Y396 A397 M398 W403 E404 P422 F423 P447 W470	Y373-L400 HydrophobicContact CD1-CB 3.96Å; Y373-L400 HydrophobicContact CD1-CD1 3.92Å; Y373-L400 HydrophobicContact CE1-CB 4.08Å; Y373-L400 HydrophobicContact CG-CD1 4.42Å; Y396-L400 HydrophobicContact CD1-CD1 4.14Å; Y396-L400 HydrophobicContact CE1-CD1 3.58Å; Y396-L400 HydrophobicContact CE1-CG 4.29Å; Y396-L400 PolarHBondContact O-N 2.83Å; A397-L400 WeakPolarHBondContact O-CB 3.25Å; A397-L400 PolarHBondContact O-N 2.65Å; M398-L400 VanDerWaalsContact C-N 3.27Å; M398-L400 PolarHBondContact O-N 3.14Å; L400-W403 WeakPolarHBondContact O-CB 3.35Å; L400-W403 PolarHBondContact O-N 2.86Å; L400-E404 WeakPolarHBondContact O-CG 3.34Å; L400-E404 PolarHBondContact O-N 2.87Å; L400-P422 HydrophobicContact CB-CB 4.09Å; L400-P422 HydrophobicContact CB-CG 3.96Å; L400-P422 HydrophobicContact CD1-CB 4.49Å; L400-P422 HydrophobicContact CD2-CB 4Å; L400-P422 HydrophobicContact CG-CB 4.43Å; L400-F423 HydrophobicContact CD1-CE2 4Å; L400-F423 HydrophobicContact CD2-CE2 3.72Å; L400-F423 HydrophobicContact CD2-CZ 4.03Å; L400-P447 HydrophobicContact CD2-CG 3.77Å; L400-W470 HydrophobicContact CD2-CE3 3.78Å; L400-W470 HydrophobicContact CD2-CZ3 4.22Å
401	V	98.9	Very high	98.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-69.3	-35.8	176	-179.7	0	0	0	0	111.9	L283 M304 I331 Y373 A397 M398 W403 E404 L405	L283-V401 HydrophobicContact CD2-CG1 3.68Å; M304-V401 HydrophobicContact CE-CB 4.45Å; M304-V401 HydrophobicContact CE-CG1 4.07Å; M304-V401 HydrophobicContact SD-CB 4.31Å; M304-V401 HydrophobicContact SD-CG1 3.6Å; M304-V401 VanDerWaalsContact SD-CG1 3.6Å; I331-V401 HydrophobicContact CG2-CG2 4.35Å; Y373-V401 HydrophobicContact CE1-CG2 4.01Å; A397-V401 WeakPolarHBondContact O-CG2 3.43Å; A397-V401 PolarHBondContact O-N 2.89Å; A397-V401 VanDerWaalsContact O-N 3.14Å; M398-V401 PolarHBondContact O-N 3.39Å; V401-W403 VanDerWaalsContact C-N 3.31Å; V401-E404 WeakPolarHBondContact O-CB 3.43Å; V401-E404 PolarHBondContact O-N 2.91Å; V401-L405 PolarHBondContact O-N 3.2Å; V401-L405 VanDerWaalsContact O-N 3.08Å
402	L	98.9	Very high	97.4	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-63.5	-38	171.7	-70.3	175.4	0	0	0	111.3	A301 M304 M398 G399 L405 A406 L462 T465 I466 V483	A301-L402 HydrophobicContact CB-CD2 3.68Å; M304-L402 HydrophobicContact CE-CD2 3.69Å; M304-L402 HydrophobicContact CE-CG 4.1Å; M398-L402 HydrophobicContact CE-CD1 4.46Å; M398-L402 WeakPolarHBondContact O-CG 3.36Å; M398-L402 PolarHBondContact O-N 3.13Å; G399-L402 PolarHBondContact O-N 3.36Å; L402-L405 HydrophobicContact CD2-CD1 4.4Å; L402-L405 WeakPolarHBondContact O-CB 3.35Å; L402-L405 PolarHBondContact O-N 3.47Å; L402-A406 PolarHBondContact O-N 2.92Å; L402-L462 HydrophobicContact CD2-CD1 4.48Å; L402-T465 HydrophobicContact CD1-CG2 4.47Å; L402-I466 HydrophobicContact CB-CD1 4.12Å; L402-I466 HydrophobicContact CB-CG1 3.63Å; L402-I466 HydrophobicContact CD1-CG1 4.45Å; L402-V483 HydrophobicContact CD1-CG1 4Å
403	W	98.8	Very high	96.4	Very high	21 Å²	21	16.5 Å²	16.5	8%	0.08	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-41.5	171	174.3	91.2	0	0	0	112.2	G399 L400 V401 L405 A406 S407 P422 P447 V448 I466 W470	G399-W403 PolarHBondContact O-N 2.87Å; L400-W403 WeakPolarHBondContact O-CB 3.35Å; L400-W403 PolarHBondContact O-N 2.86Å; V401-W403 VanDerWaalsContact C-N 3.31Å; W403-L405 VanDerWaalsContact C-N 3.28Å; W403-L405 PolarHBondContact O-N 3.29Å; W403-A406 PolarHBondContact O-N 2.9Å; W403-A406 VanDerWaalsContact O-N 3.17Å; W403-S407 WeakPolarHBondContact O-CB 3.5Å; W403-S407 PolarHBondContact O-N 2.75Å; W403-P422 HydrophobicContact CE3-CB 4.3Å; W403-P422 HydrophobicContact CE3-CG 4.09Å; W403-P422 HydrophobicContact CZ3-CB 4.34Å; W403-P422 HydrophobicContact CZ3-CG 4.2Å; W403-P447 HydrophobicContact CD2-CB 3.52Å; W403-P447 HydrophobicContact CD2-CG 4.22Å; W403-P447 HydrophobicContact CE3-CB 4.08Å; W403-P447 HydrophobicContact CE3-CG 4.44Å; W403-P447 HydrophobicContact CG-CB 3.88Å; W403-P447 HydrophobicContact CH2-CB 4.2Å; W403-P447 HydrophobicContact CZ2-CB 3.65Å; W403-P447 HydrophobicContact CZ3-CB 4.4Å; W403-V448 PolarHBondContact NE1-O 2.84Å; W403-I466 HydrophobicContact CB-CD1 4.32Å; W403-I466 HydrophobicContact CB-CG2 4.34Å; W403-W470 HydrophobicContact CB-CH2 4.47Å; W403-W470 HydrophobicContact CB-CZ3 3.85Å; W403-W470 AromaticContact CD1-CH2 3.96Å; W403-W470 HydrophobicContact CG-CH2 4.4Å; W403-W470 HydrophobicContact CG-CZ3 4.06Å
404	E	98.8	Very high	95.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.9	-41.9	175.5	-67.7	177.9	-109.2	0	0	111.4	L287 S333 Y373 L400 V401 S407 Y419 P422	L287-E404 HydrophobicContact CD1-CB 4.12Å; S333-E404 WeakPolarHBondContact CB-OE1 3.39Å; S333-E404 WeakPolarHBondContact CB-OE2 3.39Å; S333-E404 VanDerWaalsContact OG-CD 3.3Å; S333-E404 PolarHBondContact OG-OE1 2.81Å; S333-E404 PolarHBondContact OG-OE2 3.44Å; Y373-E404 VanDerWaalsContact CE1-OE1 3.32Å; Y373-E404 WeakPolarHBondContact CE1-OE1 3.14Å; Y373-E404 VanDerWaalsContact OH-CD 3.29Å; Y373-E404 PolarHBondContact OH-OE1 3.21Å; Y373-E404 PolarHBondContact OH-OE2 3.13Å; L400-E404 WeakPolarHBondContact O-CG 3.34Å; L400-E404 PolarHBondContact O-N 2.87Å; V401-E404 WeakPolarHBondContact O-CB 3.43Å; V401-E404 PolarHBondContact O-N 2.91Å; E404-S407 PolarHBondContact O-N 2.78Å; E404-S407 PolarHBondContact O-OG 3.41Å; E404-Y419 HydrophobicContact CB-CE2 4.34Å; E404-Y419 HydrophobicContact CG-CE2 4.41Å; E404-Y419 WeakPolarHBondContact OE2-CE2 3.39Å; E404-Y419 VanDerWaalsContact OE2-CZ 3.32Å; E404-Y419 PolarHBondContact OE2-OH 3.26Å; E404-P422 HydrophobicContact CG-CG 3.67Å
405	L	98.6	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-49.3	173.2	-79.7	166	0	0	0	112	L283 L287 L297 I300 A301 V401 L402 W403 S407 R408 C409	L283-L405 HydrophobicContact CD1-CD2 3.86Å; L283-L405 HydrophobicContact CD2-CD1 4.39Å; L283-L405 HydrophobicContact CD2-CD2 4.31Å; L283-L405 HydrophobicContact CD2-CG 4.18Å; L287-L405 HydrophobicContact CD1-CD2 4.39Å; L287-L405 HydrophobicContact CD2-CD2 4.33Å; L297-L405 HydrophobicContact CD1-CB 3.99Å; L297-L405 HydrophobicContact CG-CB 4.1Å; I300-L405 HydrophobicContact CB-CD2 4.23Å; I300-L405 HydrophobicContact CD1-CD2 4.19Å; I300-L405 HydrophobicContact CG2-CD1 4Å; I300-L405 HydrophobicContact CG2-CD2 3.88Å; A301-L405 HydrophobicContact CB-CD1 4.2Å; V401-L405 PolarHBondContact O-N 3.2Å; V401-L405 VanDerWaalsContact O-N 3.08Å; L402-L405 HydrophobicContact CD2-CD1 4.4Å; L402-L405 WeakPolarHBondContact O-CB 3.35Å; L402-L405 PolarHBondContact O-N 3.47Å; W403-L405 VanDerWaalsContact C-N 3.28Å; W403-L405 PolarHBondContact O-N 3.29Å; L405-S407 VanDerWaalsContact C-N 3.27Å; L405-S407 PolarHBondContact O-N 3.5Å; L405-R408 CarbonylContact O-C 3.56Å; L405-R408 PolarHBondContact O-N 2.88Å; L405-R408 VanDerWaalsContact O-N 3.14Å; L405-C409 PolarHBondContact O-N 2.93Å
406	A	98.4	Very high	95.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-39.7	178.5	0	0	0	0	0	111.9	L402 W403 R408 C409 W453 M459 L462 I466	L402-A406 PolarHBondContact O-N 2.92Å; W403-A406 PolarHBondContact O-N 2.9Å; W403-A406 VanDerWaalsContact O-N 3.17Å; A406-R408 PolarHBondContact O-N 2.93Å; A406-R408 VanDerWaalsContact O-N 3.14Å; A406-C409 WeakPolarHBondContact O-CB 3.42Å; A406-C409 PolarHBondContact O-N 3.5Å; A406-C409 VanDerWaalsContact O-N 3.14Å; A406-W453 HydrophobicContact CB-CE3 4.31Å; A406-W453 HydrophobicContact CB-CH2 3.95Å; A406-W453 HydrophobicContact CB-CZ3 3.83Å; A406-M459 HydrophobicContact CB-CE 3.86Å; A406-L462 HydrophobicContact CB-CD2 3.98Å; A406-I466 HydrophobicContact CB-CD1 4.3Å
407	S	98.1	Very high	95	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-21.9	179.1	80.4	0	0	0	0	114.1	W403 E404 L405	W403-S407 WeakPolarHBondContact O-CB 3.5Å; W403-S407 PolarHBondContact O-N 2.75Å; E404-S407 PolarHBondContact O-N 2.78Å; E404-S407 PolarHBondContact O-OG 3.41Å; L405-S407 VanDerWaalsContact C-N 3.27Å; L405-S407 PolarHBondContact O-N 3.5Å
408	R	98.1	Very high	94.9	Very high	24 Å²	24	34.7 Å²	34.7	9%	0.091	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	17.3	-178.8	-63	-64.5	-69.4	156.1	2.1	112.8	L287 N290 V291 V292 L405 A406 D417 Y419	L287-R408 HydrophobicContact CB-CG 4.21Å; L287-R408 HydrophobicContact CD2-CB 3.92Å; L287-R408 HydrophobicContact CD2-CG 4.35Å; L287-R408 PolarHBondContact O-NE 2.93Å; L287-R408 PolarHBondContact O-NH2 3.08Å; N290-R408 PolarHBondContact O-NE 3.16Å; N290-R408 PolarHBondContact O-NH2 2.66Å; V291-R408 WeakPolarHBondContact CA-O 3.42Å; V291-R408 WeakPolarHBondContact CB-O 3.46Å; V291-R408 VanDerWaalsContact CG1-NH2 3.32Å; V292-R408 PolarHBondContact N-O 2.86Å; L405-R408 CarbonylContact O-C 3.56Å; L405-R408 PolarHBondContact O-N 2.88Å; L405-R408 VanDerWaalsContact O-N 3.14Å; A406-R408 PolarHBondContact O-N 2.93Å; A406-R408 VanDerWaalsContact O-N 3.14Å; R408-D417 PolarHBondContact NH1-O 2.94Å; R408-Y419 HydrophobicContact CG-CD2 4.22Å
409	C	97.5	Very high	94.9	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.047	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-92.3	136.6	-179.3	-170.4	0	0	0	0	112.3	V292 L297 L405 A406 A411 V416 M459	V292-C409 HydrophobicContact CG2-CB 4.43Å; V292-C409 CarbonylContact O-C 3.54Å; V292-C409 VanDerWaalsContact O-CA 3.28Å; V292-C409 WeakPolarHBondContact O-CA 3.37Å; L297-C409 HydrophobicContact CD1-CB 3.63Å; L405-C409 PolarHBondContact O-N 2.93Å; A406-C409 WeakPolarHBondContact O-CB 3.42Å; A406-C409 PolarHBondContact O-N 3.5Å; A406-C409 VanDerWaalsContact O-N 3.14Å; C409-A411 VanDerWaalsContact SG-CB 3.52Å; C409-V416 WeakPolarHBondContact O-CG2 3.49Å; C409-M459 HydrophobicContact CB-CE 4.19Å; C409-M459 HydrophobicContact CB-SD 4.15Å
410	T	96.1	Very high	94.8	Very high	59 Å²	59	38.4 Å²	38.4	36%	0.362	21%	0.214	S	C	.	.			trans	-92.8	6.3	178.5	66.3	0	0	0	0	114.1	V291 V292 A412 V416	V291-T410 HydrophobicContact CB-CG2 3.96Å; V291-T410 HydrophobicContact CG2-CG2 3.77Å; V292-T410 PolarHBondContact O-N 3.38Å; T410-A412 PolarHBondContact O-N 3.05Å; T410-V416 HydrophobicContact CG2-CG2 4.31Å
411	A	91.8	Very high	94.8	Very high	17 Å²	17	40.2 Å²	40.2	14%	0.14	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.8	-168.9	0	0	0	0	0	115.5	W294 C409 H456 M459	W294-A411 HydrophobicContact CB-CB 3.77Å; W294-A411 HydrophobicContact CD2-CB 4.48Å; W294-A411 HydrophobicContact CE3-CB 4.08Å; W294-A411 HydrophobicContact CG-CB 4.39Å; C409-A411 VanDerWaalsContact SG-CB 3.52Å; A411-H456 PolarHBondContact O-CD2 3.01Å; A411-H456 VanDerWaalsContact O-CD2 3.29Å; A411-M459 HydrophobicContact CB-CG 3.9Å; A411-M459 HydrophobicContact CB-SD 4.3Å
412	A	82.7	Confident	94.7	Very high	18 Å²	18	40.2 Å²	40.2	15%	0.149	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	14.9	-172.3	0	0	0	0	0	113.8	T410 G414 Y452 H456	T410-A412 PolarHBondContact O-N 3.05Å; A412-G414 PolarHBondContact O-N 2.82Å; A412-Y452 HydrophobicContact CB-CD2 3.86Å; A412-Y452 HydrophobicContact CB-CE2 4.26Å; A412-H456 HydrophobicContact CB-CB 4.17Å
413	D	78.6	Confident	94.7	Very high	165 Å²	165	40.2 Å²	40.2	88%	0.882	22%	0.224	S	C	*	.	S	Bend	trans	46.5	24.1	-177.3	-64.9	-40.2	0	0	0	114.8
414	G	83.5	Confident	94.7	Very high	26 Å²	26	41 Å²	41	27%	0.268	23%	0.228	S	C	.	.	S	Bend	trans	-99.8	173.7	177.4	0	0	0	0	0	112.3	A412	A412-G414 PolarHBondContact O-N 2.82Å
415	P	91.6	Very high	94.5	Very high	85 Å²	85	47.8 Å²	47.8	55%	0.552	26%	0.26	S	S	*	.			trans	-61.4	142.8	176.3	27.3	-33.9	0	0	0	110.6	Y452	P415-Y452 PolarHBondContact O-OH 3.03Å
416	V	95.6	Very high	94.4	Very high	44 Å²	44	50.9 Å²	50.9	27%	0.267	27%	0.274	S	S	.	.			trans	-116.8	107.3	173.4	-175.1	0	0	0	0	107.3	V291 C409 T410	V291-V416 HydrophobicContact CG1-CB 4.43Å; V291-V416 HydrophobicContact CG1-CG1 3.81Å; C409-V416 WeakPolarHBondContact O-CG2 3.49Å; T410-V416 HydrophobicContact CG2-CG2 4.31Å
417	D	94	Very high	94.3	Very high	78 Å²	78	52.8 Å²	52.8	42%	0.417	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-74.7	169.2	-177.7	-60.8	-41.4	0	0	0	111.4	R408 R450	R408-D417 PolarHBondContact NH1-O 2.94Å; D417-R450 IonicContact OD2-CZ 3.5Å; D417-R450 IonicContact OD2-NH1 2.86Å; D417-R450 PolarHBondContact OD2-NH1 3.36Å; D417-R450 IonicContact OD2-NH2 3.86Å; D417-R450 PolarHBondContact OD2-NH2 3.07Å
418	E	96.3	Very high	94.2	Very high	174 Å²	174	53.7 Å²	53.7	81%	0.813	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-54.8	149.4	171.9	-64.6	-169.2	169.9	0	0	111.4	M420	E418-M420 PolarHBondContact O-N 2.96Å
419	Y	97.9	Very high	93.9	Very high	24 Å²	24	58.2 Å²	58.2	9%	0.094	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.3	129.8	179.6	170.2	-91.2	0	0	0	110.9	S284 L287 K288 S333 E404 R408 L421	S284-Y419 PolarHBondContact OG-OH 3.23Å; L287-Y419 HydrophobicContact CB-CD2 3.65Å; L287-Y419 HydrophobicContact CB-CE2 3.9Å; L287-Y419 HydrophobicContact CB-CG 4.47Å; L287-Y419 HydrophobicContact CD1-CD2 4.5Å; L287-Y419 HydrophobicContact CD1-CE2 4.21Å; K288-Y419 HydrophobicContact CB-CD1 4.48Å; K288-Y419 HydrophobicContact CD-CD1 4.17Å; K288-Y419 HydrophobicContact CD-CE1 4.29Å; K288-Y419 VanDerWaalsContact CE-CE1 3.46Å; K288-Y419 HydrophobicContact CG-CD1 3.28Å; K288-Y419 HydrophobicContact CG-CE1 3.79Å; K288-Y419 HydrophobicContact CG-CG 3.84Å; S333-Y419 PolarHBondContact OG-OH 3.32Å; E404-Y419 HydrophobicContact CB-CE2 4.34Å; E404-Y419 HydrophobicContact CG-CE2 4.41Å; E404-Y419 WeakPolarHBondContact OE2-CE2 3.39Å; E404-Y419 VanDerWaalsContact OE2-CZ 3.32Å; E404-Y419 PolarHBondContact OE2-OH 3.26Å; R408-Y419 HydrophobicContact CG-CD2 4.22Å; Y419-L421 HydrophobicContact CE1-CD2 4.19Å; Y419-L421 HydrophobicContact CE1-CG 4.37Å; Y419-L421 WeakPolarHBondContact OH-CD2 3.41Å
420	M	97.6	Very high	93.8	Very high	54 Å²	54	66.1 Å²	66.1	27%	0.266	35%	0.353	S	S	.	.			trans	-125.3	146.6	172.6	-68.1	-166.8	-71	0	0	109.9	E418 E424	E418-M420 PolarHBondContact O-N 2.96Å; M420-E424 HydrophobicContact CB-CB 4.26Å
421	L	98.2	Very high	93.7	Very high	38 Å²	38	63.8 Å²	63.8	20%	0.199	34%	0.339	C	S	.	.			trans	-68.9	153.4	171.8	-66.9	163.1	0	0	0	110.3	Y419 F423 E424	Y419-L421 HydrophobicContact CE1-CD2 4.19Å; Y419-L421 HydrophobicContact CE1-CG 4.37Å; Y419-L421 WeakPolarHBondContact OH-CD2 3.41Å; L421-F423 PolarHBondContact O-N 2.7Å; L421-E424 HydrophobicContact CB-CB 4.11Å; L421-E424 WeakPolarHBondContact CB-OE2 3.41Å; L421-E424 PolarHBondContact N-OE2 3.13Å; L421-E424 WeakPolarHBondContact O-CB 3.48Å; L421-E424 PolarHBondContact O-N 3.2Å
422	P	98.5	Very high	93.9	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	127.9	173.6	-22.9	32.7	0	0	0	110.2	R372 Y373 L400 W403 E404 E424 P447	R372-P422 PolarHBondContact NH1-O 3.16Å; Y373-P422 HydrophobicContact CE1-CG 3.84Å; Y373-P422 WeakPolarHBondContact OH-CD 3.44Å; L400-P422 HydrophobicContact CB-CB 4.09Å; L400-P422 HydrophobicContact CB-CG 3.96Å; L400-P422 HydrophobicContact CD1-CB 4.49Å; L400-P422 HydrophobicContact CD2-CB 4Å; L400-P422 HydrophobicContact CG-CB 4.43Å; W403-P422 HydrophobicContact CE3-CB 4.3Å; W403-P422 HydrophobicContact CE3-CG 4.09Å; W403-P422 HydrophobicContact CZ3-CB 4.34Å; W403-P422 HydrophobicContact CZ3-CG 4.2Å; E404-P422 HydrophobicContact CG-CG 3.67Å; P422-E424 VanDerWaalsContact C-N 3.32Å; P422-P447 HydrophobicContact CB-CG 3.98Å
423	F	98.4	Very high	94.5	Very high	1 Å²	1	66.7 Å²	66.7	0%	0.004	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.3	-173.6	-48.2	-76.4	0	0	0	116.4	R372 L400 L421 E425 E426 I427 M436 V439 V440 P447	R372-F423 WeakPolarHBondContact O-CD2 3.37Å; L400-F423 HydrophobicContact CD1-CE2 4Å; L400-F423 HydrophobicContact CD2-CE2 3.72Å; L400-F423 HydrophobicContact CD2-CZ 4.03Å; L421-F423 PolarHBondContact O-N 2.7Å; F423-E425 VanDerWaalsContact C-N 3.33Å; F423-E425 PolarHBondContact O-N 3.44Å; F423-E426 VanDerWaalsContact C-OE2 3.3Å; F423-E426 WeakPolarHBondContact CA-OE2 3.21Å; F423-E426 PolarHBondContact O-N 3.05Å; F423-I427 HydrophobicContact CB-CD1 3.86Å; F423-I427 HydrophobicContact CB-CG1 3.9Å; F423-I427 WeakPolarHBondContact O-CG1 3.35Å; F423-I427 PolarHBondContact O-N 3.13Å; F423-I427 VanDerWaalsContact O-N 3.13Å; F423-M436 HydrophobicContact CD2-CE 3.95Å; F423-M436 HydrophobicContact CE2-CE 4.11Å; F423-V439 HydrophobicContact CD1-CG1 4.26Å; F423-V440 HydrophobicContact CE1-CG2 3.83Å; F423-V440 HydrophobicContact CE2-CG2 4Å; F423-V440 HydrophobicContact CZ-CG2 3.54Å; F423-P447 HydrophobicContact CD1-CG 4.37Å; F423-P447 HydrophobicContact CE1-CG 4.24Å; F423-P447 HydrophobicContact CE2-CG 4.45Å; F423-P447 HydrophobicContact CZ-CG 4.27Å
424	E	97.9	Very high	95.4	Very high	37 Å²	37	65.9 Å²	65.9	17%	0.173	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-36.1	179.8	-175.5	168.8	175.6	0	0	113.1	M420 L421 P422 E426 G428 Q429	M420-E424 HydrophobicContact CB-CB 4.26Å; L421-E424 HydrophobicContact CB-CB 4.11Å; L421-E424 WeakPolarHBondContact CB-OE2 3.41Å; L421-E424 PolarHBondContact N-OE2 3.13Å; L421-E424 WeakPolarHBondContact O-CB 3.48Å; L421-E424 PolarHBondContact O-N 3.2Å; P422-E424 VanDerWaalsContact C-N 3.32Å; E424-E426 VanDerWaalsContact C-N 3.33Å; E424-E426 PolarHBondContact O-N 2.88Å; E424-G428 WeakPolarHBondContact O-CA 3.42Å; E424-G428 PolarHBondContact O-N 3.42Å; E424-Q429 HydrophobicContact CG-CG 4.07Å; E424-Q429 WeakPolarHBondContact OE1-CG 3.22Å; E424-Q429 PolarHBondContact OE1-NE2 3.42Å
425	E	95	Very high	96.1	Very high	143 Å²	143	68 Å²	68	67%	0.668	35%	0.349	S	S	*	.	H	α-helix	trans	-64.2	-39.1	177.4	-175.1	66.2	-150.8	0	0	111.6	F423	F423-E425 VanDerWaalsContact C-N 3.33Å; F423-E425 PolarHBondContact O-N 3.44Å
426	E	95.6	Very high	96.4	Very high	66 Å²	66	63.9 Å²	63.9	31%	0.308	32%	0.322	S	S	.	.	H	α-helix	trans	-83.5	-36.4	-172.9	-63.1	84.4	167.5	0	0	113.7	F423 E424 V439	F423-E426 VanDerWaalsContact C-OE2 3.3Å; F423-E426 WeakPolarHBondContact CA-OE2 3.21Å; F423-E426 PolarHBondContact O-N 3.05Å; E424-E426 VanDerWaalsContact C-N 3.33Å; E424-E426 PolarHBondContact O-N 2.88Å; E426-V439 HydrophobicContact CB-CG2 4.25Å
427	I	96.3	Very high	96.5	Very high	39 Å²	39	64.2 Å²	64.2	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-138.7	9.3	-169.3	58.3	170.9	0	0	0	113.4	F423 P431 D435 M436 V439	F423-I427 HydrophobicContact CB-CD1 3.86Å; F423-I427 HydrophobicContact CB-CG1 3.9Å; F423-I427 WeakPolarHBondContact O-CG1 3.35Å; F423-I427 PolarHBondContact O-N 3.13Å; F423-I427 VanDerWaalsContact O-N 3.13Å; I427-P431 HydrophobicContact CB-CB 4.37Å; I427-P431 HydrophobicContact CD1-CB 3.35Å; I427-P431 HydrophobicContact CD1-CG 3.87Å; I427-P431 HydrophobicContact CG1-CB 3.95Å; I427-P431 HydrophobicContact CG1-CG 4.48Å; I427-D435 HydrophobicContact CB-CB 4.31Å; I427-D435 HydrophobicContact CD1-CB 4.45Å; I427-D435 HydrophobicContact CG2-CB 4.18Å; I427-M436 HydrophobicContact CD1-CG 4.29Å; I427-M436 HydrophobicContact CD1-SD 3.2Å; I427-M436 WeakPolarHBondContact CD1-SD 3.15Å; I427-V439 HydrophobicContact CD1-CG1 4.09Å; I427-V439 HydrophobicContact CG2-CB 4.3Å; I427-V439 HydrophobicContact CG2-CG1 4.29Å
428	G	96.1	Very high	96.7	Very high	29 Å²	29	64.1 Å²	64.1	30%	0.299	32%	0.318	S	S	.	.			trans	74.6	-168.3	175.3	0	0	0	0	0	115.3	R372 E424	R372-G428 PolarHBondContact NH2-O 3.15Å; E424-G428 WeakPolarHBondContact O-CA 3.42Å; E424-G428 PolarHBondContact O-N 3.42Å
429	Q	93.4	Very high	96.8	Very high	119 Å²	119	56.1 Å²	56.1	56%	0.556	28%	0.281	S	S	*	.	S	Bend	trans	-78.5	-29	-170.9	-72.4	-179.5	-0.6	0	0	114.5	R372 E424 P431	R372-Q429 PolarHBondContact NH2-O 2.96Å; E424-Q429 HydrophobicContact CG-CG 4.07Å; E424-Q429 WeakPolarHBondContact OE1-CG 3.22Å; E424-Q429 PolarHBondContact OE1-NE2 3.42Å; Q429-P431 VanDerWaalsContact C-CD 3.46Å; Q429-P431 WeakPolarHBondContact O-CD 3.41Å
430	H	93.7	Very high	96.8	Very high	173 Å²	173	55 Å²	55	80%	0.801	28%	0.277	S	S	*	.	S	Bend	trans	-127.4	65.7	-172.5	-61.4	-55.5	0	0	0	112
431	P	95.3	Very high	96.8	Very high	10 Å²	10	52.9 Å²	52.9	7%	0.065	27%	0.267	C	S	.	.			trans	-68.6	141.4	-176.8	29.5	-36.4	0	0	0	112	R372 I427 Q429 D435 M436	R372-P431 HydrophobicContact CB-CG 4.32Å; R372-P431 VanDerWaalsContact NH2-CD 3.25Å; I427-P431 HydrophobicContact CB-CB 4.37Å; I427-P431 HydrophobicContact CD1-CB 3.35Å; I427-P431 HydrophobicContact CD1-CG 3.87Å; I427-P431 HydrophobicContact CG1-CB 3.95Å; I427-P431 HydrophobicContact CG1-CG 4.48Å; Q429-P431 VanDerWaalsContact C-CD 3.46Å; Q429-P431 WeakPolarHBondContact O-CD 3.41Å; P431-D435 HydrophobicContact CB-CB 4.17Å; P431-M436 HydrophobicContact CB-CG 4.16Å; P431-M436 HydrophobicContact CB-SD 4.11Å; P431-M436 HydrophobicContact CG-CG 4.31Å; P431-M436 HydrophobicContact CG-SD 3.99Å
432	S	96.6	Very high	96.8	Very high	43 Å²	43	57.1 Å²	57.1	30%	0.301	29%	0.285	S	S	.	.			trans	-72.2	172.8	167.1	73.9	0	0	0	0	110.7	E434 D435 M436	S432-E434 VanDerWaalsContact C-N 3.3Å; S432-E434 PolarHBondContact OG-N 3.35Å; S432-D435 VanDerWaalsContact CB-OD2 3.27Å; S432-D435 WeakPolarHBondContact CB-OD2 3.35Å; S432-D435 PolarHBondContact N-OD2 3.16Å; S432-D435 PolarHBondContact OG-N 3.14Å; S432-D435 VanDerWaalsContact OG-N 3.13Å; S432-D435 PolarHBondContact OG-OD2 3.42Å; S432-M436 WeakPolarHBondContact O-CG 3.39Å; S432-M436 PolarHBondContact O-N 3.39Å
433	L	95	Very high	96.8	Very high	53 Å²	53	62.7 Å²	62.7	28%	0.277	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-38.4	173.2	-178.7	63.9	0	0	0	111	L379 M436 Q437	L379-L433 HydrophobicContact CD2-CD1 3.62Å; L433-M436 PolarHBondContact O-N 2.94Å; L433-Q437 HydrophobicContact CG-CG 4.49Å; L433-Q437 WeakPolarHBondContact O-CG 3.5Å; L433-Q437 PolarHBondContact O-N 3.12Å
434	E	96.9	Very high	96.8	Very high	148 Å²	148	68.8 Å²	68.8	69%	0.692	34%	0.336	S	S	*	.	H	α-helix	trans	-66.1	-41.2	-179.5	-65.2	176.3	-170.7	0	0	111.4	S432 M436 Q437 E438	S432-E434 VanDerWaalsContact C-N 3.3Å; S432-E434 PolarHBondContact OG-N 3.35Å; E434-M436 VanDerWaalsContact C-N 3.3Å; E434-M436 PolarHBondContact O-N 3.2Å; E434-Q437 PolarHBondContact O-N 3.02Å; E434-E438 WeakPolarHBondContact O-CB 3.48Å; E434-E438 PolarHBondContact O-N 3.28Å
435	D	97.8	Very high	96.8	Very high	69 Å²	69	72.3 Å²	72.3	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-59.2	-43.7	175.1	-59.9	-47.2	0	0	0	111.3	I427 P431 S432 E438 V439	I427-D435 HydrophobicContact CB-CB 4.31Å; I427-D435 HydrophobicContact CD1-CB 4.45Å; I427-D435 HydrophobicContact CG2-CB 4.18Å; P431-D435 HydrophobicContact CB-CB 4.17Å; S432-D435 VanDerWaalsContact CB-OD2 3.27Å; S432-D435 WeakPolarHBondContact CB-OD2 3.35Å; S432-D435 PolarHBondContact N-OD2 3.16Å; S432-D435 PolarHBondContact OG-N 3.14Å; S432-D435 VanDerWaalsContact OG-N 3.13Å; S432-D435 PolarHBondContact OG-OD2 3.42Å; D435-E438 PolarHBondContact O-N 2.86Å; D435-V439 WeakPolarHBondContact O-CG1 3.25Å; D435-V439 PolarHBondContact O-N 3.41Å
436	M	98.3	Very high	97	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-44.5	177.7	-72.1	-56.8	-51.3	0	0	111.9	R371 R372 L379 F423 I427 P431 S432 L433 E434 E438 V439 V440	R371-M436 HydrophobicContact CB-CG 4.21Å; R372-M436 HydrophobicContact CB-CE 4.49Å; R372-M436 HydrophobicContact CB-SD 4.12Å; L379-M436 HydrophobicContact CD1-CB 3.99Å; L379-M436 HydrophobicContact CD1-CE 4.4Å; L379-M436 HydrophobicContact CD2-CB 3.62Å; L379-M436 HydrophobicContact CD2-CG 4.44Å; L379-M436 HydrophobicContact CG-CB 4.47Å; F423-M436 HydrophobicContact CD2-CE 3.95Å; F423-M436 HydrophobicContact CE2-CE 4.11Å; I427-M436 HydrophobicContact CD1-CG 4.29Å; I427-M436 HydrophobicContact CD1-SD 3.2Å; I427-M436 WeakPolarHBondContact CD1-SD 3.15Å; P431-M436 HydrophobicContact CB-CG 4.16Å; P431-M436 HydrophobicContact CB-SD 4.11Å; P431-M436 HydrophobicContact CG-CG 4.31Å; P431-M436 HydrophobicContact CG-SD 3.99Å; S432-M436 WeakPolarHBondContact O-CG 3.39Å; S432-M436 PolarHBondContact O-N 3.39Å; L433-M436 PolarHBondContact O-N 2.94Å; E434-M436 VanDerWaalsContact C-N 3.3Å; E434-M436 PolarHBondContact O-N 3.2Å; M436-E438 VanDerWaalsContact C-N 3.34Å; M436-V439 PolarHBondContact O-N 3.25Å; M436-V440 HydrophobicContact CE-CG2 3.49Å; M436-V440 VanDerWaalsContact CE-CG2 3.49Å; M436-V440 VanDerWaalsContact O-CB 3.24Å; M436-V440 WeakPolarHBondContact O-CB 3.32Å; M436-V440 PolarHBondContact O-N 2.96Å
437	Q	97.9	Very high	97.1	Very high	50 Å²	50	64.2 Å²	64.2	23%	0.234	31%	0.312	C	S	.	.	I	π-helix	trans	-59.8	-46.6	175.8	-74.6	170.5	-29.5	0	0	110.8	L379 L433 E434 V439 V441 H442	L379-Q437 HydrophobicContact CB-CG 3.97Å; L379-Q437 PolarHBondContact O-NE2 3.04Å; L433-Q437 HydrophobicContact CG-CG 4.49Å; L433-Q437 WeakPolarHBondContact O-CG 3.5Å; L433-Q437 PolarHBondContact O-N 3.12Å; E434-Q437 PolarHBondContact O-N 3.02Å; Q437-V439 PolarHBondContact O-N 3.45Å; Q437-V441 WeakPolarHBondContact O-CA 3.36Å; Q437-V441 WeakPolarHBondContact O-CB 3.49Å; Q437-V441 PolarHBondContact O-N 3.47Å; Q437-H442 PolarHBondContact O-N 3.48Å
438	E	98.1	Very high	97.1	Very high	76 Å²	76	66.9 Å²	66.9	36%	0.355	33%	0.329	S	S	.	.	I	π-helix	trans	-61.5	-45.2	-179.2	179.2	58.3	-162	0	0	112.1	E434 D435 M436 H442 K443	E434-E438 WeakPolarHBondContact O-CB 3.48Å; E434-E438 PolarHBondContact O-N 3.28Å; D435-E438 PolarHBondContact O-N 2.86Å; M436-E438 VanDerWaalsContact C-N 3.34Å; E438-H442 IonicContact OE2-CE1 2.83Å; E438-H442 IonicContact OE2-CG 3.17Å; E438-H442 IonicContact OE2-ND1 3.48Å; E438-H442 PolarHBondContact OE2-ND1 3.28Å; E438-K443 HydrophobicContact CG-CD 4.44Å; E438-K443 WeakPolarHBondContact O-CB 3.05Å; E438-K443 WeakPolarHBondContact O-CG 3.41Å; E438-K443 PolarHBondContact O-N 3.2Å; E438-K443 WeakPolarHBondContact OE1-CE 3.27Å; E438-K443 IonicContact OE1-NZ 2.81Å; E438-K443 PolarHBondContact OE1-NZ 3.39Å
439	V	98.4	Very high	97.2	Very high	7 Å²	7	66.9 Å²	66.9	4%	0.042	32%	0.322	C	S	.	.	I	π-helix	trans	-79	-44.9	-177.6	76.9	0	0	0	0	112.9	F423 E426 I427 D435 M436 Q437 K444 K445	F423-V439 HydrophobicContact CD1-CG1 4.26Å; E426-V439 HydrophobicContact CB-CG2 4.25Å; I427-V439 HydrophobicContact CD1-CG1 4.09Å; I427-V439 HydrophobicContact CG2-CB 4.3Å; I427-V439 HydrophobicContact CG2-CG1 4.29Å; D435-V439 WeakPolarHBondContact O-CG1 3.25Å; D435-V439 PolarHBondContact O-N 3.41Å; M436-V439 PolarHBondContact O-N 3.25Å; Q437-V439 PolarHBondContact O-N 3.45Å; V439-K444 PolarHBondContact O-N 3.39Å; V439-K445 HydrophobicContact CG2-CB 3.78Å; V439-K445 HydrophobicContact CG2-CD 4.13Å; V439-K445 WeakPolarHBondContact O-CB 3.32Å; V439-K445 PolarHBondContact O-N 3.07Å
440	V	98.4	Very high	97.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-86.9	-39.4	-171.6	174.6	0	0	0	0	112.6	P376 L379 Y396 F423 M436 K444 R446	P376-V440 HydrophobicContact CB-CG1 4.36Å; P376-V440 HydrophobicContact CG-CG1 3.81Å; L379-V440 HydrophobicContact CD1-CB 3.74Å; L379-V440 HydrophobicContact CD1-CG1 3.84Å; L379-V440 HydrophobicContact CD1-CG2 4.22Å; Y396-V440 WeakPolarHBondContact OH-CG1 3.47Å; F423-V440 HydrophobicContact CE1-CG2 3.83Å; F423-V440 HydrophobicContact CE2-CG2 4Å; F423-V440 HydrophobicContact CZ-CG2 3.54Å; M436-V440 HydrophobicContact CE-CG2 3.49Å; M436-V440 VanDerWaalsContact CE-CG2 3.49Å; M436-V440 VanDerWaalsContact O-CB 3.24Å; M436-V440 WeakPolarHBondContact O-CB 3.32Å; M436-V440 PolarHBondContact O-N 2.96Å; V440-K444 WeakPolarHBondContact O-CA 3.44Å; V440-R446 PolarHBondContact O-NH1 3.01Å
441	V	97.9	Very high	97.4	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.055	30%	0.304	C	S	.	.	I	π-helix	trans	-93	-60.1	-174.3	-175.4	0	0	0	0	110	P376 L379 E380 Q437 K444	P376-V441 HydrophobicContact CB-CG2 4.19Å; L379-V441 HydrophobicContact CB-CG2 3.91Å; L379-V441 HydrophobicContact CD1-CG2 4.15Å; E380-V441 HydrophobicContact CG-CB 4.44Å; E380-V441 HydrophobicContact CG-CG1 3.62Å; E380-V441 HydrophobicContact CG-CG2 4.01Å; E380-V441 WeakPolarHBondContact OE1-CG1 3.37Å; Q437-V441 WeakPolarHBondContact O-CA 3.36Å; Q437-V441 WeakPolarHBondContact O-CB 3.49Å; Q437-V441 PolarHBondContact O-N 3.47Å; V441-K444 VanDerWaalsContact O-CG 3.32Å; V441-K444 WeakPolarHBondContact O-CG 3.34Å
442	H	97.4	Very high	97.3	Very high	127 Å²	127	64 Å²	64	59%	0.588	31%	0.31	S	S	*	.	I	π-helix	trans	-73.6	-48.9	-172.4	-57.7	163.3	0	0	0	112.3	Q437 E438 K444	Q437-H442 PolarHBondContact O-N 3.48Å; E438-H442 IonicContact OE2-CE1 2.83Å; E438-H442 IonicContact OE2-CG 3.17Å; E438-H442 IonicContact OE2-ND1 3.48Å; E438-H442 PolarHBondContact OE2-ND1 3.28Å; H442-K444 VanDerWaalsContact C-N 3.35Å
443	K	98.1	Very high	97.3	Very high	118 Å²	118	62.1 Å²	62.1	51%	0.513	30%	0.296	S	S	.	.	S	Bend	trans	-84.4	-10.4	179.4	-69.9	173	174.2	141.2	0	113.6	E438 K445	E438-K443 HydrophobicContact CG-CD 4.44Å; E438-K443 WeakPolarHBondContact O-CB 3.05Å; E438-K443 WeakPolarHBondContact O-CG 3.41Å; E438-K443 PolarHBondContact O-N 3.2Å; E438-K443 WeakPolarHBondContact OE1-CE 3.27Å; E438-K443 IonicContact OE1-NZ 2.81Å; E438-K443 PolarHBondContact OE1-NZ 3.39Å; K443-K445 HydrophobicContact CB-CD 4.41Å; K443-K445 HydrophobicContact CB-CG 4.07Å; K443-K445 PolarHBondContact O-N 3.3Å
444	K	98.2	Very high	97.2	Very high	128 Å²	128	64 Å²	64	56%	0.557	30%	0.303	S	S	*	.			trans	49	32.3	-176.4	-59	-171.1	176.8	-167.6	0	113.4	V439 V440 V441 H442	V439-K444 PolarHBondContact O-N 3.39Å; V440-K444 WeakPolarHBondContact O-CA 3.44Å; V441-K444 VanDerWaalsContact O-CG 3.32Å; V441-K444 WeakPolarHBondContact O-CG 3.34Å; H442-K444 VanDerWaalsContact C-N 3.35Å
445	K	98.1	Very high	97	Very high	111 Å²	111	65.5 Å²	65.5	48%	0.483	31%	0.308	S	S	.	.			trans	-78.6	154.6	178.3	-76.6	-174.3	172.6	-167.6	0	110.9	V439 K443	V439-K445 HydrophobicContact CG2-CB 3.78Å; V439-K445 HydrophobicContact CG2-CD 4.13Å; V439-K445 WeakPolarHBondContact O-CB 3.32Å; V439-K445 PolarHBondContact O-N 3.07Å; K443-K445 HydrophobicContact CB-CD 4.41Å; K443-K445 HydrophobicContact CB-CG 4.07Å; K443-K445 PolarHBondContact O-N 3.3Å
446	R	98.6	Very high	96.8	Very high	37 Å²	37	64 Å²	64	14%	0.14	30%	0.298	C	S	.	.			trans	-135.8	160.3	173.7	-63.6	-64.1	-177.3	-86.2	-3.2	108.5	V440 W470	V440-R446 PolarHBondContact O-NH1 3.01Å; R446-W470 HydrophobicContact CB-CD2 3.96Å; R446-W470 HydrophobicContact CB-CE3 4.28Å; R446-W470 HydrophobicContact CB-CH2 4Å; R446-W470 HydrophobicContact CB-CZ2 3.65Å; R446-W470 HydrophobicContact CB-CZ3 4.3Å; R446-W470 HydrophobicContact CG-CD2 3.89Å; R446-W470 HydrophobicContact CG-CG 4.01Å; R446-W470 HydrophobicContact CG-CZ2 4.28Å; R446-W470 PolarHBondContact NE-O 3.21Å; R446-W470 PolarHBondContact NH2-O 2.95Å
447	P	98.4	Very high	96.5	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.019	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-53.1	141.2	172.6	-25.3	35	0	0	0	111.5	L400 W403 P422 F423 L449 W470	L400-P447 HydrophobicContact CD2-CG 3.77Å; W403-P447 HydrophobicContact CD2-CB 3.52Å; W403-P447 HydrophobicContact CD2-CG 4.22Å; W403-P447 HydrophobicContact CE3-CB 4.08Å; W403-P447 HydrophobicContact CE3-CG 4.44Å; W403-P447 HydrophobicContact CG-CB 3.88Å; W403-P447 HydrophobicContact CH2-CB 4.2Å; W403-P447 HydrophobicContact CZ2-CB 3.65Å; W403-P447 HydrophobicContact CZ3-CB 4.4Å; P422-P447 HydrophobicContact CB-CG 3.98Å; F423-P447 HydrophobicContact CD1-CG 4.37Å; F423-P447 HydrophobicContact CE1-CG 4.24Å; F423-P447 HydrophobicContact CE2-CG 4.45Å; F423-P447 HydrophobicContact CZ-CG 4.27Å; P447-L449 PolarHBondContact O-N 3.4Å; P447-W470 HydrophobicContact CB-CH2 4.38Å; P447-W470 HydrophobicContact CB-CZ3 4.17Å; P447-W470 HydrophobicContact CG-CZ3 4.02Å; P447-W470 WeakPolarHBondContact O-CH2 3.5Å
448	V	97.6	Very high	96.4	Very high	94 Å²	94	64 Å²	64	57%	0.57	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-65	127	-172.7	179.4	0	0	0	0	111.2	W403	W403-V448 PolarHBondContact NE1-O 2.84Å
449	L	97.6	Very high	96.3	Very high	30 Å²	30	60.4 Å²	60.4	16%	0.157	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-87.3	119.7	165.1	-60.9	176.1	0	0	0	108.1	P447 W453 C463 I466 E467 W470	P447-L449 PolarHBondContact O-N 3.4Å; L449-W453 HydrophobicContact CD2-CE3 4.27Å; L449-W453 HydrophobicContact CD2-CZ3 3.89Å; L449-C463 HydrophobicContact CD1-CB 4.06Å; L449-I466 HydrophobicContact CD2-CD1 4.44Å; L449-I466 HydrophobicContact CD2-CG2 4.35Å; L449-E467 HydrophobicContact CD1-CG 3.53Å; L449-W470 HydrophobicContact CD1-CH2 4.46Å; L449-W470 HydrophobicContact CD1-CZ2 3.94Å; L449-W470 HydrophobicContact CD2-CH2 3.84Å; L449-W470 HydrophobicContact CD2-CZ2 4.16Å; L449-W470 HydrophobicContact CG-CH2 4.04Å; L449-W470 HydrophobicContact CG-CZ2 3.97Å
450	R	96.2	Very high	96.2	Very high	47 Å²	47	60.8 Å²	60.8	18%	0.177	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-78	134.9	-170.3	-54.2	-178.9	-176	-145.6	-11.8	111	D417 Y452 W453	D417-R450 IonicContact OD2-CZ 3.5Å; D417-R450 IonicContact OD2-NH1 2.86Å; D417-R450 PolarHBondContact OD2-NH1 3.36Å; D417-R450 IonicContact OD2-NH2 3.86Å; D417-R450 PolarHBondContact OD2-NH2 3.07Å; R450-Y452 HydrophobicContact CB-CD1 3.89Å; R450-Y452 HydrophobicContact CB-CE1 3.56Å; R450-Y452 VanDerWaalsContact CD-CE1 3.41Å; R450-Y452 VanDerWaalsContact CD-CZ 3.47Å; R450-Y452 WeakPolarHBondContact CD-OH 3.28Å; R450-Y452 HydrophobicContact CG-CE1 4.1Å; R450-Y452 PolarHBondContact NH1-OH 3.42Å; R450-Y452 PolarHBondContact O-N 2.86Å; R450-Y452 VanDerWaalsContact O-N 3.1Å; R450-W453 HydrophobicContact CB-CD2 3.87Å; R450-W453 HydrophobicContact CB-CE3 4.42Å; R450-W453 HydrophobicContact CB-CG 4.06Å; R450-W453 HydrophobicContact CB-CZ2 4.24Å; R450-W453 HydrophobicContact CG-CD2 4.21Å; R450-W453 HydrophobicContact CG-CH2 4.12Å; R450-W453 HydrophobicContact CG-CZ2 3.67Å; R450-W453 VanDerWaalsContact O-CB 3.26Å; R450-W453 WeakPolarHBondContact O-CB 3.3Å; R450-W453 PolarHBondContact O-N 2.76Å
451	D	94.4	Very high	96.1	Very high	148 Å²	148	63 Å²	63	79%	0.791	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-54.6	-37.1	-176.6	-62.9	-25.6	0	0	0	113.6	W453 Q454	D451-W453 VanDerWaalsContact C-N 3.26Å; D451-W453 PolarHBondContact O-N 3.13Å; D451-Q454 WeakPolarHBondContact O-CB 3.2Å; D451-Q454 PolarHBondContact O-N 3.35Å
452	Y	93.6	Very high	96.2	Very high	47 Å²	47	62.5 Å²	62.5	18%	0.184	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-71.9	-17.3	-179.7	68.4	-91.5	0	0	0	113.6	A412 P415 R450 Q454 K455	A412-Y452 HydrophobicContact CB-CD2 3.86Å; A412-Y452 HydrophobicContact CB-CE2 4.26Å; P415-Y452 PolarHBondContact O-OH 3.03Å; R450-Y452 HydrophobicContact CB-CD1 3.89Å; R450-Y452 HydrophobicContact CB-CE1 3.56Å; R450-Y452 VanDerWaalsContact CD-CE1 3.41Å; R450-Y452 VanDerWaalsContact CD-CZ 3.47Å; R450-Y452 WeakPolarHBondContact CD-OH 3.28Å; R450-Y452 HydrophobicContact CG-CE1 4.1Å; R450-Y452 PolarHBondContact NH1-OH 3.42Å; R450-Y452 PolarHBondContact O-N 2.86Å; R450-Y452 VanDerWaalsContact O-N 3.1Å; Y452-Q454 PolarHBondContact O-N 2.93Å; Y452-K455 WeakPolarHBondContact O-CB 3.35Å; Y452-K455 PolarHBondContact O-N 3.16Å
453	W	95.9	Very high	96.2	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.011	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-63.2	-30.9	172.3	-65.3	-10	0	0	0	111.6	A406 L449 R450 D451 K455 H456 M459	A406-W453 HydrophobicContact CB-CE3 4.31Å; A406-W453 HydrophobicContact CB-CH2 3.95Å; A406-W453 HydrophobicContact CB-CZ3 3.83Å; L449-W453 HydrophobicContact CD2-CE3 4.27Å; L449-W453 HydrophobicContact CD2-CZ3 3.89Å; R450-W453 HydrophobicContact CB-CD2 3.87Å; R450-W453 HydrophobicContact CB-CE3 4.42Å; R450-W453 HydrophobicContact CB-CG 4.06Å; R450-W453 HydrophobicContact CB-CZ2 4.24Å; R450-W453 HydrophobicContact CG-CD2 4.21Å; R450-W453 HydrophobicContact CG-CH2 4.12Å; R450-W453 HydrophobicContact CG-CZ2 3.67Å; R450-W453 VanDerWaalsContact O-CB 3.26Å; R450-W453 WeakPolarHBondContact O-CB 3.3Å; R450-W453 PolarHBondContact O-N 2.76Å; D451-W453 VanDerWaalsContact C-N 3.26Å; D451-W453 PolarHBondContact O-N 3.13Å; W453-K455 PolarHBondContact O-N 3.48Å; W453-K455 VanDerWaalsContact O-N 3.14Å; W453-H456 PolarHBondContact O-N 2.9Å; W453-M459 HydrophobicContact CB-CB 4.18Å; W453-M459 HydrophobicContact CB-CE 4.2Å; W453-M459 HydrophobicContact CD2-CE 3.82Å; W453-M459 HydrophobicContact CE3-CE 4.3Å; W453-M459 HydrophobicContact CG-CE 3.77Å; W453-M459 VanDerWaalsContact O-CB 3.27Å; W453-M459 WeakPolarHBondContact O-CB 3.45Å
454	Q	94	Very high	96.2	Very high	93 Å²	93	55.9 Å²	55.9	44%	0.435	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.1	-16.9	177.9	-58.2	-62.4	-16.1	0	0	113.2	D451 Y452 H456 A460	D451-Q454 WeakPolarHBondContact O-CB 3.2Å; D451-Q454 PolarHBondContact O-N 3.35Å; Y452-Q454 PolarHBondContact O-N 2.93Å; Q454-H456 VanDerWaalsContact C-N 3.33Å; Q454-A460 VanDerWaalsContact OE1-CB 3.31Å
455	K	92	Very high	96.2	Very high	179 Å²	179	49.9 Å²	49.9	78%	0.778	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-73.3	-25.1	177.2	-60.5	179.4	-179.2	179	0	112.9	Y452 W453	Y452-K455 WeakPolarHBondContact O-CB 3.35Å; Y452-K455 PolarHBondContact O-N 3.16Å; W453-K455 PolarHBondContact O-N 3.48Å; W453-K455 VanDerWaalsContact O-N 3.14Å
456	H	93.3	Very high	96.3	Very high	36 Å²	36	44.6 Å²	44.6	17%	0.167	22%	0.224	C	C	.	.	S	Bend	trans	-98.3	116.9	176.6	179.2	-84.1	0	0	0	109.1	W294 A411 A412 W453 Q454 G458 M459 A460	W294-H456 AromaticContact CD2-CE1 3.61Å; W294-H456 AromaticContact CE2-CE1 3.86Å; W294-H456 AromaticContact CE3-CE1 3.89Å; W294-H456 AromaticContact CG-CE1 3.93Å; A411-H456 PolarHBondContact O-CD2 3.01Å; A411-H456 VanDerWaalsContact O-CD2 3.29Å; A412-H456 HydrophobicContact CB-CB 4.17Å; W453-H456 PolarHBondContact O-N 2.9Å; Q454-H456 VanDerWaalsContact C-N 3.33Å; H456-G458 VanDerWaalsContact C-N 3.26Å; H456-G458 PolarHBondContact ND1-N 3.29Å; H456-G458 PolarHBondContact O-N 2.91Å; H456-G458 VanDerWaalsContact O-N 3.14Å; H456-M459 HydrophobicContact CB-CB 4.07Å; H456-M459 HydrophobicContact CB-CG 4.11Å; H456-M459 PolarHBondContact ND1-N 3.11Å; H456-M459 VanDerWaalsContact ND1-N 3.12Å; H456-M459 WeakPolarHBondContact O-CA 3.17Å; H456-M459 PolarHBondContact O-N 3.26Å; H456-A460 PolarHBondContact O-N 3.15Å
457	A	93.1	Very high	96.3	Very high	51 Å²	51	47.5 Å²	47.5	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-53.4	-40.5	-173.5	0	0	0	0	0	113.5	M461 I497	A457-M461 WeakPolarHBondContact O-CE 3.35Å; A457-M461 PolarHBondContact O-N 3.37Å; A457-I497 HydrophobicContact CB-CD1 4.25Å
458	G	95.2	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-41.2	174.6	0	0	0	0	0	113.5	W294 H456 M461 L462	W294-G458 WeakPolarHBondContact CH2-O 3.26Å; W294-G458 VanDerWaalsContact CZ2-CA 3.41Å; H456-G458 VanDerWaalsContact C-N 3.26Å; H456-G458 PolarHBondContact ND1-N 3.29Å; H456-G458 PolarHBondContact O-N 2.91Å; H456-G458 VanDerWaalsContact O-N 3.14Å; G458-M461 PolarHBondContact O-N 2.86Å; G458-L462 PolarHBondContact O-N 3.33Å
459	M	96.3	Very high	96.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-74.3	-33	-177.4	-73	-70.2	-65.6	0	0	110.7	W294 L297 A406 C409 A411 W453 H456 L462 C463	W294-M459 HydrophobicContact CE3-CG 4.1Å; W294-M459 HydrophobicContact CE3-SD 3.89Å; W294-M459 HydrophobicContact CZ3-CG 3.97Å; W294-M459 HydrophobicContact CZ3-SD 3.68Å; L297-M459 HydrophobicContact CD1-SD 4.45Å; A406-M459 HydrophobicContact CB-CE 3.86Å; C409-M459 HydrophobicContact CB-CE 4.19Å; C409-M459 HydrophobicContact CB-SD 4.15Å; A411-M459 HydrophobicContact CB-CG 3.9Å; A411-M459 HydrophobicContact CB-SD 4.3Å; W453-M459 HydrophobicContact CB-CB 4.18Å; W453-M459 HydrophobicContact CB-CE 4.2Å; W453-M459 HydrophobicContact CD2-CE 3.82Å; W453-M459 HydrophobicContact CE3-CE 4.3Å; W453-M459 HydrophobicContact CG-CE 3.77Å; W453-M459 VanDerWaalsContact O-CB 3.27Å; W453-M459 WeakPolarHBondContact O-CB 3.45Å; H456-M459 HydrophobicContact CB-CB 4.07Å; H456-M459 HydrophobicContact CB-CG 4.11Å; H456-M459 PolarHBondContact ND1-N 3.11Å; H456-M459 VanDerWaalsContact ND1-N 3.12Å; H456-M459 WeakPolarHBondContact O-CA 3.17Å; H456-M459 PolarHBondContact O-N 3.26Å; M459-L462 PolarHBondContact O-N 2.89Å; M459-L462 HydrophobicContact SD-CD2 4.13Å; M459-C463 PolarHBondContact O-N 3.06Å; M459-C463 PolarHBondContact O-SG 3.24Å
460	A	96.1	Very high	96.4	Very high	15 Å²	15	45.1 Å²	45.1	12%	0.124	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-50.4	170.9	0	0	0	0	0	111.5	Q454 H456 L462 C463 E464	Q454-A460 VanDerWaalsContact OE1-CB 3.31Å; H456-A460 PolarHBondContact O-N 3.15Å; A460-L462 VanDerWaalsContact C-N 3.28Å; A460-L462 PolarHBondContact O-N 3.05Å; A460-C463 WeakPolarHBondContact O-CB 3.22Å; A460-C463 PolarHBondContact O-N 3.34Å; A460-C463 VanDerWaalsContact O-N 3.08Å; A460-E464 PolarHBondContact O-N 3.02Å
461	M	97.1	Very high	96.5	Very high	45 Å²	45	45.8 Å²	45.8	22%	0.222	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-34.5	175.6	-71.2	-176.1	-77.8	0	0	113	A457 G458 T465 M490 L493	A457-M461 WeakPolarHBondContact O-CE 3.35Å; A457-M461 PolarHBondContact O-N 3.37Å; G458-M461 PolarHBondContact O-N 2.86Å; M461-T465 WeakPolarHBondContact O-CB 3.47Å; M461-T465 PolarHBondContact O-N 2.94Å; M461-T465 VanDerWaalsContact O-N 3.08Å; M461-T465 PolarHBondContact O-OG1 3.31Å; M461-M490 HydrophobicContact CB-CB 4.21Å; M461-M490 HydrophobicContact CB-CE 4.19Å; M461-M490 HydrophobicContact CE-CB 3.62Å; M461-M490 HydrophobicContact SD-CB 4.07Å; M461-L493 HydrophobicContact CE-CB 4.26Å; M461-L493 HydrophobicContact CE-CD1 4.01Å; M461-L493 HydrophobicContact SD-CD1 3.84Å
462	L	98.3	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-41.2	173.7	-178.7	66.1	0	0	0	111.4	W294 L297 L402 A406 G458 M459 A460 T465 I466 I487 M490	W294-L462 HydrophobicContact CZ3-CD2 4.48Å; L297-L462 HydrophobicContact CD1-CD2 3.95Å; L297-L462 HydrophobicContact CD2-CD2 3.65Å; L297-L462 HydrophobicContact CG-CD2 4.46Å; L402-L462 HydrophobicContact CD2-CD1 4.48Å; A406-L462 HydrophobicContact CB-CD2 3.98Å; G458-L462 PolarHBondContact O-N 3.33Å; M459-L462 PolarHBondContact O-N 2.89Å; M459-L462 HydrophobicContact SD-CD2 4.13Å; A460-L462 VanDerWaalsContact C-N 3.28Å; A460-L462 PolarHBondContact O-N 3.05Å; L462-T465 WeakPolarHBondContact O-CB 3.34Å; L462-T465 PolarHBondContact O-N 3.37Å; L462-I466 HydrophobicContact CD1-CD1 4.46Å; L462-I466 HydrophobicContact CG-CD1 3.94Å; L462-I466 HydrophobicContact CG-CG1 4.47Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.33Å; L462-I466 PolarHBondContact O-N 2.96Å; L462-I487 HydrophobicContact CD1-CD1 3.79Å; L462-M490 HydrophobicContact CB-CE 4.48Å; L462-M490 HydrophobicContact CB-SD 4.1Å; L462-M490 HydrophobicContact CD1-SD 4.34Å
463	C	98.4	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-48.5	175.6	-69.9	0	0	0	0	111.1	L449 M459 A460 T465 I466 E467	L449-C463 HydrophobicContact CD1-CB 4.06Å; M459-C463 PolarHBondContact O-N 3.06Å; M459-C463 PolarHBondContact O-SG 3.24Å; A460-C463 WeakPolarHBondContact O-CB 3.22Å; A460-C463 PolarHBondContact O-N 3.34Å; A460-C463 VanDerWaalsContact O-N 3.08Å; C463-T465 VanDerWaalsContact C-N 3.29Å; C463-T465 PolarHBondContact O-N 3.22Å; C463-I466 WeakPolarHBondContact O-CB 3.3Å; C463-I466 PolarHBondContact O-N 2.9Å; C463-I466 VanDerWaalsContact O-N 3.13Å; C463-E467 WeakPolarHBondContact O-CG 3.45Å; C463-E467 PolarHBondContact O-N 2.72Å
464	E	98.4	Very high	97	Very high	105 Å²	105	44.4 Å²	44.4	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-58.4	-42.1	175.6	-66.8	172.3	-164.9	0	0	111.7	A460 I466 E467 E468	A460-E464 PolarHBondContact O-N 3.02Å; E464-I466 PolarHBondContact O-N 3.11Å; E464-E467 PolarHBondContact O-N 2.83Å; E464-E468 PolarHBondContact O-N 2.83Å
465	T	98.8	Very high	97.1	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-40.8	176.9	-57.8	0	0	0	0	112	L402 M461 L462 C463 E467 C469 L478 V483 R486	L402-T465 HydrophobicContact CD1-CG2 4.47Å; M461-T465 WeakPolarHBondContact O-CB 3.47Å; M461-T465 PolarHBondContact O-N 2.94Å; M461-T465 VanDerWaalsContact O-N 3.08Å; M461-T465 PolarHBondContact O-OG1 3.31Å; L462-T465 WeakPolarHBondContact O-CB 3.34Å; L462-T465 PolarHBondContact O-N 3.37Å; C463-T465 VanDerWaalsContact C-N 3.29Å; C463-T465 PolarHBondContact O-N 3.22Å; T465-E467 VanDerWaalsContact C-N 3.34Å; T465-C469 WeakPolarHBondContact O-CB 3.37Å; T465-C469 PolarHBondContact O-N 2.92Å; T465-C469 PolarHBondContact O-SG 3.12Å; T465-L478 HydrophobicContact CG2-CD1 3.96Å; T465-V483 HydrophobicContact CG2-CG1 4.1Å; T465-V483 HydrophobicContact CG2-CG2 4.25Å; T465-R486 WeakPolarHBondContact OG1-CD 3.47Å
466	I	98.9	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-44.3	174.4	-71.3	163.4	0	0	0	110	L402 W403 A406 L449 L462 C463 E464 E468 C469 W470	L402-I466 HydrophobicContact CB-CD1 4.12Å; L402-I466 HydrophobicContact CB-CG1 3.63Å; L402-I466 HydrophobicContact CD1-CG1 4.45Å; W403-I466 HydrophobicContact CB-CD1 4.32Å; W403-I466 HydrophobicContact CB-CG2 4.34Å; A406-I466 HydrophobicContact CB-CD1 4.3Å; L449-I466 HydrophobicContact CD2-CD1 4.44Å; L449-I466 HydrophobicContact CD2-CG2 4.35Å; L462-I466 HydrophobicContact CD1-CD1 4.46Å; L462-I466 HydrophobicContact CG-CD1 3.94Å; L462-I466 HydrophobicContact CG-CG1 4.47Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.33Å; L462-I466 PolarHBondContact O-N 2.96Å; C463-I466 WeakPolarHBondContact O-CB 3.3Å; C463-I466 PolarHBondContact O-N 2.9Å; C463-I466 VanDerWaalsContact O-N 3.13Å; E464-I466 PolarHBondContact O-N 3.11Å; I466-E468 PolarHBondContact O-N 2.85Å; I466-C469 PolarHBondContact O-N 2.94Å; I466-C469 VanDerWaalsContact O-N 3.16Å; I466-W470 HydrophobicContact CG2-CD2 3.67Å; I466-W470 HydrophobicContact CG2-CE3 3.45Å; I466-W470 VanDerWaalsContact CG2-CE3 3.45Å; I466-W470 HydrophobicContact CG2-CH2 3.41Å; I466-W470 VanDerWaalsContact CG2-CH2 3.41Å; I466-W470 HydrophobicContact CG2-CZ2 3.61Å; I466-W470 HydrophobicContact CG2-CZ3 3.33Å; I466-W470 PolarHBondContact O-N 2.86Å
467	E	98.8	Very high	97.6	Very high	98 Å²	98	39.2 Å²	39.2	46%	0.458	21%	0.21	S	C	.	.	H	α-helix	trans	-60.3	-45.1	-179.3	-72.7	-177	113.8	0	0	113	L449 C463 E464 T465 W470 D471	L449-E467 HydrophobicContact CD1-CG 3.53Å; C463-E467 WeakPolarHBondContact O-CG 3.45Å; C463-E467 PolarHBondContact O-N 2.72Å; E464-E467 PolarHBondContact O-N 2.83Å; T465-E467 VanDerWaalsContact C-N 3.34Å; E467-W470 HydrophobicContact CG-CZ2 4.36Å; E467-W470 PolarHBondContact O-N 2.83Å; E467-D471 PolarHBondContact O-N 2.91Å
468	E	98.7	Very high	97.9	Very high	63 Å²	63	37.8 Å²	37.8	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-70.1	-32.3	175.8	-66.9	178	-122.6	0	0	112.1	E464 I466 R477 L478 R486	E464-E468 PolarHBondContact O-N 2.83Å; I466-E468 PolarHBondContact O-N 2.85Å; E468-R477 VanDerWaalsContact O-CA 3.3Å; E468-R477 WeakPolarHBondContact O-CA 3.19Å; E468-L478 HydrophobicContact CB-CD1 3.86Å; E468-L478 HydrophobicContact CB-CG 3.81Å; E468-L478 WeakPolarHBondContact OE2-CD2 3.38Å; E468-R486 IonicContact OE1-CZ 2.87Å; E468-R486 VanDerWaalsContact OE1-CZ 3.24Å; E468-R486 IonicContact OE1-NH1 2.73Å; E468-R486 PolarHBondContact OE1-NH1 2.85Å; E468-R486 IonicContact OE1-NH2 3.43Å; E468-R486 PolarHBondContact OE1-NH2 2.88Å; E468-R486 IonicContact OE2-CZ 3.68Å; E468-R486 IonicContact OE2-NH1 2.67Å; E468-R486 PolarHBondContact OE2-NH1 2.62Å; E468-R486 IonicContact OE2-NH2 3.74Å; E468-R486 PolarHBondContact OE2-NH2 2.86Å
469	C	98.8	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-41.7	175.8	-72.2	0	0	0	0	112.4	Y396 T465 I466 R477 V483	Y396-C469 VanDerWaalsContact CA-O 3.3Å; Y396-C469 WeakPolarHBondContact CA-O 3.39Å; T465-C469 WeakPolarHBondContact O-CB 3.37Å; T465-C469 PolarHBondContact O-N 2.92Å; T465-C469 PolarHBondContact O-SG 3.12Å; I466-C469 PolarHBondContact O-N 2.94Å; I466-C469 VanDerWaalsContact O-N 3.16Å; C469-R477 VanDerWaalsContact O-CD 3.24Å; C469-R477 WeakPolarHBondContact O-CD 3.27Å; C469-R477 WeakPolarHBondContact O-CG 3.28Å; C469-V483 VanDerWaalsContact SG-CG2 3.52Å
470	W	98.6	Very high	98.1	Very high	14 Å²	14	40.8 Å²	40.8	5%	0.053	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	17.8	-176.1	70.8	20	0	0	0	114.2	Y396 L400 W403 R446 P447 L449 I466 E467	Y396-W470 HydrophobicContact CD2-CB 3.92Å; Y396-W470 HydrophobicContact CE2-CB 3.88Å; L400-W470 HydrophobicContact CD2-CE3 3.78Å; L400-W470 HydrophobicContact CD2-CZ3 4.22Å; W403-W470 HydrophobicContact CB-CH2 4.47Å; W403-W470 HydrophobicContact CB-CZ3 3.85Å; W403-W470 AromaticContact CD1-CH2 3.96Å; W403-W470 HydrophobicContact CG-CH2 4.4Å; W403-W470 HydrophobicContact CG-CZ3 4.06Å; R446-W470 HydrophobicContact CB-CD2 3.96Å; R446-W470 HydrophobicContact CB-CE3 4.28Å; R446-W470 HydrophobicContact CB-CH2 4Å; R446-W470 HydrophobicContact CB-CZ2 3.65Å; R446-W470 HydrophobicContact CB-CZ3 4.3Å; R446-W470 HydrophobicContact CG-CD2 3.89Å; R446-W470 HydrophobicContact CG-CG 4.01Å; R446-W470 HydrophobicContact CG-CZ2 4.28Å; R446-W470 PolarHBondContact NE-O 3.21Å; R446-W470 PolarHBondContact NH2-O 2.95Å; P447-W470 HydrophobicContact CB-CH2 4.38Å; P447-W470 HydrophobicContact CB-CZ3 4.17Å; P447-W470 HydrophobicContact CG-CZ3 4.02Å; P447-W470 WeakPolarHBondContact O-CH2 3.5Å; L449-W470 HydrophobicContact CD1-CH2 4.46Å; L449-W470 HydrophobicContact CD1-CZ2 3.94Å; L449-W470 HydrophobicContact CD2-CH2 3.84Å; L449-W470 HydrophobicContact CD2-CZ2 4.16Å; L449-W470 HydrophobicContact CG-CH2 4.04Å; L449-W470 HydrophobicContact CG-CZ2 3.97Å; I466-W470 HydrophobicContact CG2-CD2 3.67Å; I466-W470 HydrophobicContact CG2-CE3 3.45Å; I466-W470 VanDerWaalsContact CG2-CE3 3.45Å; I466-W470 HydrophobicContact CG2-CH2 3.41Å; I466-W470 VanDerWaalsContact CG2-CH2 3.41Å; I466-W470 HydrophobicContact CG2-CZ2 3.61Å; I466-W470 HydrophobicContact CG2-CZ3 3.33Å; I466-W470 PolarHBondContact O-N 2.86Å; E467-W470 HydrophobicContact CG-CZ2 4.36Å; E467-W470 PolarHBondContact O-N 2.83Å
471	D	98.8	Very high	98.2	Very high	61 Å²	61	41.7 Å²	41.7	33%	0.326	23%	0.227	S	C	.	.			trans	-53.2	143	178.8	-159.3	-57.9	0	0	0	110.4	E467 D473 A476 R477	E467-D471 PolarHBondContact O-N 2.91Å; D471-D473 VanDerWaalsContact C-N 3.29Å; D471-D473 PolarHBondContact OD1-N 2.96Å; D471-A476 HydrophobicContact CB-CB 4.2Å; D471-R477 HydrophobicContact CB-CG 4.24Å; D471-R477 PolarHBondContact O-NE 3.22Å; D471-R477 PolarHBondContact O-NH2 3.25Å
472	H	98.2	Very high	98.3	Very high	63 Å²	63	42 Å²	42	29%	0.292	23%	0.233	S	C	.	.	S	Bend	trans	-64.3	-38.6	176.3	-176.8	83.5	0	0	0	110.9	A474	H472-A474 PolarHBondContact O-N 3.11Å
473	D	97.6	Very high	98.3	Very high	85 Å²	85	42 Å²	42	46%	0.455	23%	0.233	S	C	.	.	S	Bend	trans	-76.1	115.9	170.7	-174.4	-2.8	0	0	0	110.2	D471 E475 A476	D471-D473 VanDerWaalsContact C-N 3.29Å; D471-D473 PolarHBondContact OD1-N 2.96Å; D473-E475 PolarHBondContact O-N 2.79Å; D473-E475 PolarHBondContact OD1-N 2.89Å; D473-A476 HydrophobicContact CB-CB 4.17Å; D473-A476 PolarHBondContact O-N 2.77Å
474	A	97.1	Very high	98.3	Very high	21 Å²	21	42.5 Å²	42.5	17%	0.174	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.3	178	0	0	0	0	0	112.6	R392 H472 A476 R477	R392-A474 HydrophobicContact CB-CB 4.29Å; R392-A474 WeakPolarHBondContact CD-O 3.34Å; R392-A474 VanDerWaalsContact CG-O 3.31Å; R392-A474 WeakPolarHBondContact CG-O 3.39Å; R392-A474 PolarHBondContact NE-O 3.04Å; H472-A474 PolarHBondContact O-N 3.11Å; A474-A476 VanDerWaalsContact C-N 3.32Å; A474-R477 PolarHBondContact O-N 3.17Å
475	E	96.4	Very high	98.3	Very high	137 Å²	137	44.3 Å²	44.3	64%	0.64	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-72.9	-26.4	-178.8	-49.5	-133.9	117.3	0	0	113.4	R392 D473 R477	R392-E475 IonicContact CZ-OE1 3.34Å; R392-E475 IonicContact NH1-OE1 3.64Å; R392-E475 PolarHBondContact NH1-OE1 3.26Å; R392-E475 IonicContact NH2-OE1 2.7Å; D473-E475 PolarHBondContact O-N 2.79Å; D473-E475 PolarHBondContact OD1-N 2.89Å; E475-R477 VanDerWaalsContact C-N 3.26Å; E475-R477 PolarHBondContact O-N 2.87Å
476	A	97.6	Very high	98.2	Very high	47 Å²	47	47.3 Å²	47.3	39%	0.388	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-77	-12.8	178.4	0	0	0	0	0	112.9	D471 D473 A474	D471-A476 HydrophobicContact CB-CB 4.2Å; D473-A476 HydrophobicContact CB-CB 4.17Å; D473-A476 PolarHBondContact O-N 2.77Å; A474-A476 VanDerWaalsContact C-N 3.32Å
477	R	98.6	Very high	98.1	Very high	15 Å²	15	47.3 Å²	47.3	6%	0.057	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-71.9	138.8	-173.9	-60.1	179.4	-165.9	144.1	13.9	112.7	E377 R392 E468 C469 D471 A474 E475	E377-R477 IonicContact OE1-CZ 3.76Å; E377-R477 IonicContact OE1-NH1 3.57Å; E377-R477 PolarHBondContact OE1-NH1 2.87Å; E377-R477 IonicContact OE1-NH2 3.71Å; E377-R477 PolarHBondContact OE1-NH2 3.38Å; E377-R477 IonicContact OE2-CZ 2.72Å; E377-R477 IonicContact OE2-NH1 3.94Å; E377-R477 IonicContact OE2-NH2 2.8Å; E377-R477 PolarHBondContact OE2-NH2 3.17Å; R392-R477 WeakPolarHBondContact O-CD 3.31Å; R392-R477 PolarHBondContact O-NH1 3.15Å; E468-R477 VanDerWaalsContact O-CA 3.3Å; E468-R477 WeakPolarHBondContact O-CA 3.19Å; C469-R477 VanDerWaalsContact O-CD 3.24Å; C469-R477 WeakPolarHBondContact O-CD 3.27Å; C469-R477 WeakPolarHBondContact O-CG 3.28Å; D471-R477 HydrophobicContact CB-CG 4.24Å; D471-R477 PolarHBondContact O-NE 3.22Å; D471-R477 PolarHBondContact O-NH2 3.25Å; A474-R477 PolarHBondContact O-N 3.17Å; E475-R477 VanDerWaalsContact C-N 3.26Å; E475-R477 PolarHBondContact O-N 2.87Å
478	L	98.6	Very high	98	Very high	21 Å²	21	44.3 Å²	44.3	11%	0.11	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.6	148	173.8	-63.8	173.4	0	0	0	111.7	M395 T465 E468 C482 V483	M395-L478 WeakPolarHBondContact CE-O 3.31Å; M395-L478 WeakPolarHBondContact CG-O 3.45Å; T465-L478 HydrophobicContact CG2-CD1 3.96Å; E468-L478 HydrophobicContact CB-CD1 3.86Å; E468-L478 HydrophobicContact CB-CG 3.81Å; E468-L478 WeakPolarHBondContact OE2-CD2 3.38Å; L478-C482 HydrophobicContact CB-CB 4.41Å; L478-C482 HydrophobicContact CD2-CB 4.25Å; L478-V483 HydrophobicContact CB-CG2 3.84Å; L478-V483 HydrophobicContact CD1-CG2 4.05Å
479	S	98.7	Very high	97.7	Very high	63 Å²	63	47 Å²	47	44%	0.441	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-76.5	157.4	165.2	78.6	0	0	0	0	111.1	G481 C482 V483	S479-G481 PolarHBondContact O-N 3.28Å; S479-C482 WeakPolarHBondContact O-CB 3.33Å; S479-C482 PolarHBondContact O-N 3.08Å; S479-C482 VanDerWaalsContact O-N 3.11Å; S479-C482 PolarHBondContact OG-N 3.23Å; S479-C482 PolarHBondContact OG-SG 3.41Å; S479-V483 PolarHBondContact O-N 2.86Å
480	A	98.5	Very high	97.4	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-35.8	176.6	0	0	0	0	0	112.9	L308 A309 M395 V483 G484	L308-A480 HydrophobicContact CB-CB 4.1Å; L308-A480 HydrophobicContact CD2-CB 4.28Å; L308-A480 HydrophobicContact CG-CB 4.03Å; A309-A480 HydrophobicContact CB-CB 3.79Å; M395-A480 HydrophobicContact CE-CB 4.2Å; M395-A480 HydrophobicContact SD-CB 3.63Å; M395-A480 PolarHBondContact SD-N 2.88Å; A480-V483 PolarHBondContact O-N 3.48Å; A480-G484 PolarHBondContact O-N 3.37Å
481	G	98.3	Very high	97	Very high	33 Å²	33	48.5 Å²	48.5	34%	0.34	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-47.5	174.4	0	0	0	0	0	112.1	S479 V483 G484 E485	S479-G481 PolarHBondContact O-N 3.28Å; G481-V483 VanDerWaalsContact C-N 3.3Å; G481-V483 PolarHBondContact O-N 2.93Å; G481-G484 PolarHBondContact O-N 3.31Å; G481-G484 VanDerWaalsContact O-N 3.13Å; G481-E485 PolarHBondContact O-N 2.85Å
482	C	98.5	Very high	96.5	Very high	51 Å²	51	53.8 Å²	53.8	35%	0.345	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-40	176.5	-64.1	0	0	0	0	112	L478 S479 E485 R486	L478-C482 HydrophobicContact CB-CB 4.41Å; L478-C482 HydrophobicContact CD2-CB 4.25Å; S479-C482 WeakPolarHBondContact O-CB 3.33Å; S479-C482 PolarHBondContact O-N 3.08Å; S479-C482 VanDerWaalsContact O-N 3.11Å; S479-C482 PolarHBondContact OG-N 3.23Å; S479-C482 PolarHBondContact OG-SG 3.41Å; C482-E485 PolarHBondContact O-N 3.02Å; C482-R486 WeakPolarHBondContact O-CG 3.3Å; C482-R486 PolarHBondContact O-N 3.07Å
483	V	98.7	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-47.3	174.5	176.1	0	0	0	0	110.6	A305 M395 M398 L402 T465 C469 L478 S479 A480 G481 E485 R486 I487	A305-V483 HydrophobicContact CB-CG1 4.23Å; M395-V483 HydrophobicContact CE-CB 4.45Å; M395-V483 HydrophobicContact CE-CG2 3.61Å; M398-V483 HydrophobicContact CE-CB 4.22Å; M398-V483 HydrophobicContact CE-CG1 3.53Å; M398-V483 HydrophobicContact SD-CG1 4.47Å; L402-V483 HydrophobicContact CD1-CG1 4Å; T465-V483 HydrophobicContact CG2-CG1 4.1Å; T465-V483 HydrophobicContact CG2-CG2 4.25Å; C469-V483 VanDerWaalsContact SG-CG2 3.52Å; L478-V483 HydrophobicContact CB-CG2 3.84Å; L478-V483 HydrophobicContact CD1-CG2 4.05Å; S479-V483 PolarHBondContact O-N 2.86Å; A480-V483 PolarHBondContact O-N 3.48Å; G481-V483 VanDerWaalsContact C-N 3.3Å; G481-V483 PolarHBondContact O-N 2.93Å; V483-E485 VanDerWaalsContact C-N 3.31Å; V483-E485 PolarHBondContact O-N 3Å; V483-R486 PolarHBondContact O-N 3.46Å; V483-R486 VanDerWaalsContact O-N 3.16Å; V483-I487 HydrophobicContact CG1-CG1 4.28Å; V483-I487 WeakPolarHBondContact O-CG1 3.4Å; V483-I487 PolarHBondContact O-N 2.89Å
484	G	97.9	Very high	94.4	Very high	12 Å²	12	50.5 Å²	50.5	12%	0.124	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-41.1	177.5	0	0	0	0	0	113.4	A480 G481 I487 T488	A480-G484 PolarHBondContact O-N 3.37Å; G481-G484 PolarHBondContact O-N 3.31Å; G481-G484 VanDerWaalsContact O-N 3.13Å; G484-I487 PolarHBondContact O-N 3.5Å; G484-T488 PolarHBondContact O-N 3.45Å; G484-T488 PolarHBondContact O-OG1 3.39Å
485	E	97.5	Very high	93.2	Very high	142 Å²	142	52.9 Å²	52.9	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-63.7	-44.5	174.8	-71.4	179	177.5	0	0	112.2	G481 C482 V483 T488 Q489	G481-E485 PolarHBondContact O-N 2.85Å; C482-E485 PolarHBondContact O-N 3.02Å; V483-E485 VanDerWaalsContact C-N 3.31Å; V483-E485 PolarHBondContact O-N 3Å; E485-T488 WeakPolarHBondContact O-CB 3.36Å; E485-T488 PolarHBondContact O-N 3.22Å; E485-Q489 WeakPolarHBondContact O-CB 3.41Å; E485-Q489 PolarHBondContact O-N 3.48Å
486	R	97.6	Very high	91.7	Very high	65 Å²	65	50.7 Å²	50.7	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-44.9	176.2	-74.1	-172.1	-179	-165.1	3.2	112.2	T465 E468 C482 V483 T488 Q489 M490	T465-R486 WeakPolarHBondContact OG1-CD 3.47Å; E468-R486 IonicContact OE1-CZ 2.87Å; E468-R486 VanDerWaalsContact OE1-CZ 3.24Å; E468-R486 IonicContact OE1-NH1 2.73Å; E468-R486 PolarHBondContact OE1-NH1 2.85Å; E468-R486 IonicContact OE1-NH2 3.43Å; E468-R486 PolarHBondContact OE1-NH2 2.88Å; E468-R486 IonicContact OE2-CZ 3.68Å; E468-R486 IonicContact OE2-NH1 2.67Å; E468-R486 PolarHBondContact OE2-NH1 2.62Å; E468-R486 IonicContact OE2-NH2 3.74Å; E468-R486 PolarHBondContact OE2-NH2 2.86Å; C482-R486 WeakPolarHBondContact O-CG 3.3Å; C482-R486 PolarHBondContact O-N 3.07Å; V483-R486 PolarHBondContact O-N 3.46Å; V483-R486 VanDerWaalsContact O-N 3.16Å; R486-T488 VanDerWaalsContact C-N 3.29Å; R486-T488 PolarHBondContact O-N 2.9Å; R486-Q489 PolarHBondContact O-N 3.46Å; R486-Q489 VanDerWaalsContact O-N 3.15Å; R486-M490 HydrophobicContact CB-CE 4.22Å; R486-M490 WeakPolarHBondContact O-CE 3.12Å; R486-M490 WeakPolarHBondContact O-CG 3.39Å; R486-M490 PolarHBondContact O-N 2.95Å
487	I	97.6	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-43.7	176.4	-60.4	-58.7	0	0	0	110.4	C298 A301 E302 L462 V483 G484 Q489 M490 Q491	C298-I487 HydrophobicContact CB-CG2 4.22Å; C298-I487 WeakPolarHBondContact O-CG2 3.48Å; A301-I487 HydrophobicContact CB-CD1 3.93Å; A301-I487 HydrophobicContact CB-CG1 4.07Å; A301-I487 HydrophobicContact CB-CG2 4.18Å; E302-I487 HydrophobicContact CB-CB 4.42Å; E302-I487 HydrophobicContact CB-CG2 3.79Å; L462-I487 HydrophobicContact CD1-CD1 3.79Å; V483-I487 HydrophobicContact CG1-CG1 4.28Å; V483-I487 WeakPolarHBondContact O-CG1 3.4Å; V483-I487 PolarHBondContact O-N 2.89Å; G484-I487 PolarHBondContact O-N 3.5Å; I487-Q489 VanDerWaalsContact C-N 3.31Å; I487-Q489 PolarHBondContact O-N 2.88Å; I487-M490 HydrophobicContact CD1-CE 3.77Å; I487-M490 HydrophobicContact CD1-SD 3.68Å; I487-M490 WeakPolarHBondContact O-CG 3.42Å; I487-M490 PolarHBondContact O-N 2.92Å; I487-Q491 WeakPolarHBondContact O-CB 3.41Å; I487-Q491 PolarHBondContact O-N 3.02Å; I487-Q491 VanDerWaalsContact O-N 3.07Å
488	T	94.9	Very high	88.1	Confident	36 Å²	36	54.2 Å²	54.2	22%	0.221	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-41.1	176.5	-57.4	0	0	0	0	111.6	G484 E485 R486 R492	G484-T488 PolarHBondContact O-N 3.45Å; G484-T488 PolarHBondContact O-OG1 3.39Å; E485-T488 WeakPolarHBondContact O-CB 3.36Å; E485-T488 PolarHBondContact O-N 3.22Å; R486-T488 VanDerWaalsContact C-N 3.29Å; R486-T488 PolarHBondContact O-N 2.9Å; T488-R492 WeakPolarHBondContact O-CG 3.26Å; T488-R492 PolarHBondContact O-N 2.94Å
489	Q	92.9	Very high	86.2	Confident	119 Å²	119	56.9 Å²	56.9	56%	0.556	30%	0.301	S	S	*	.	H	α-helix	trans	-67.4	-48.4	179.2	-172.8	178.8	14.4	0	0	112.1	E485 R486 I487 Q491 R492 L493	E485-Q489 WeakPolarHBondContact O-CB 3.41Å; E485-Q489 PolarHBondContact O-N 3.48Å; R486-Q489 PolarHBondContact O-N 3.46Å; R486-Q489 VanDerWaalsContact O-N 3.15Å; I487-Q489 VanDerWaalsContact C-N 3.31Å; I487-Q489 PolarHBondContact O-N 2.88Å; Q489-Q491 VanDerWaalsContact C-N 3.3Å; Q489-Q491 PolarHBondContact O-N 3.46Å; Q489-R492 PolarHBondContact O-N 3.42Å; Q489-L493 HydrophobicContact CG-CD1 3.96Å; Q489-L493 WeakPolarHBondContact O-CG 3.49Å; Q489-L493 PolarHBondContact O-N 3.3Å
490	M	92.6	Very high	84	Confident	2 Å²	2	60 Å²	60	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-33.9	-179.1	64.5	-176.5	68.3	0	0	112.6	W294 M461 L462 R486 I487 T494	W294-M490 HydrophobicContact CH2-CB 4.48Å; W294-M490 HydrophobicContact CH2-CG 4.07Å; W294-M490 HydrophobicContact CH2-SD 3.71Å; W294-M490 HydrophobicContact CZ2-CB 4.19Å; W294-M490 HydrophobicContact CZ2-CG 3.94Å; W294-M490 HydrophobicContact CZ2-SD 4.21Å; M461-M490 HydrophobicContact CB-CB 4.21Å; M461-M490 HydrophobicContact CB-CE 4.19Å; M461-M490 HydrophobicContact CE-CB 3.62Å; M461-M490 HydrophobicContact SD-CB 4.07Å; L462-M490 HydrophobicContact CB-CE 4.48Å; L462-M490 HydrophobicContact CB-SD 4.1Å; L462-M490 HydrophobicContact CD1-SD 4.34Å; R486-M490 HydrophobicContact CB-CE 4.22Å; R486-M490 WeakPolarHBondContact O-CE 3.12Å; R486-M490 WeakPolarHBondContact O-CG 3.39Å; R486-M490 PolarHBondContact O-N 2.95Å; I487-M490 HydrophobicContact CD1-CE 3.77Å; I487-M490 HydrophobicContact CD1-SD 3.68Å; I487-M490 WeakPolarHBondContact O-CG 3.42Å; I487-M490 PolarHBondContact O-N 2.92Å; M490-T494 PolarHBondContact O-N 3.16Å; M490-T494 VanDerWaalsContact O-N 3.15Å; M490-T494 PolarHBondContact O-OG1 2.85Å
491	Q	90.6	Very high	81.8	Confident	43 Å²	43	64.2 Å²	64.2	20%	0.201	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-42.5	174.8	-168.5	178.1	14.1	0	0	111.4	C298 I487 Q489 N495	C298-Q491 HydrophobicContact CB-CB 4.12Å; C298-Q491 HydrophobicContact CB-CG 3.96Å; I487-Q491 WeakPolarHBondContact O-CB 3.41Å; I487-Q491 PolarHBondContact O-N 3.02Å; I487-Q491 VanDerWaalsContact O-N 3.07Å; Q489-Q491 VanDerWaalsContact C-N 3.3Å; Q489-Q491 PolarHBondContact O-N 3.46Å; Q491-N495 PolarHBondContact O-N 3.24Å; Q491-N495 PolarHBondContact O-ND2 2.87Å
492	R	87.3	Confident	79.8	Confident	173 Å²	173	67.7 Å²	67.7	65%	0.653	34%	0.34	S	S	*	.	H	α-helix	trans	-65.3	-46.3	177.1	-71.4	175.2	-174.9	-178	3.9	112.3	T488 Q489 T494 N495 I496	T488-R492 WeakPolarHBondContact O-CG 3.26Å; T488-R492 PolarHBondContact O-N 2.94Å; Q489-R492 PolarHBondContact O-N 3.42Å; R492-T494 VanDerWaalsContact C-N 3.34Å; R492-T494 PolarHBondContact O-N 2.8Å; R492-N495 PolarHBondContact O-N 3.14Å; R492-I496 WeakPolarHBondContact O-CG1 3.49Å; R492-I496 PolarHBondContact O-N 3.22Å
493	L	78.7	Confident	77.6	Confident	69 Å²	69	69.6 Å²	69.6	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-40.1	-177.6	-71.9	169.9	0	0	0	112.2	M461 Q489 I496 I497	M461-L493 HydrophobicContact CE-CB 4.26Å; M461-L493 HydrophobicContact CE-CD1 4.01Å; M461-L493 HydrophobicContact SD-CD1 3.84Å; Q489-L493 HydrophobicContact CG-CD1 3.96Å; Q489-L493 WeakPolarHBondContact O-CG 3.49Å; Q489-L493 PolarHBondContact O-N 3.3Å; L493-I496 PolarHBondContact O-N 3.11Å; L493-I497 WeakPolarHBondContact O-CG1 3.43Å; L493-I497 PolarHBondContact O-N 3.05Å; L493-I497 VanDerWaalsContact O-N 3.16Å
494	T	74.3	Confident	75.3	Confident	9 Å²	9	72.9 Å²	72.9	6%	0.055	37%	0.37	C	S	.	.	H	α-helix	trans	-70	-36	179	-48	0	0	0	0	112	W294 M490 R492 I496 I497 T498	W294-T494 PolarHBondContact NE1-OG1 3.22Å; M490-T494 PolarHBondContact O-N 3.16Å; M490-T494 VanDerWaalsContact O-N 3.15Å; M490-T494 PolarHBondContact O-OG1 2.85Å; R492-T494 VanDerWaalsContact C-N 3.34Å; R492-T494 PolarHBondContact O-N 2.8Å; T494-I496 VanDerWaalsContact C-N 3.27Å; T494-I496 PolarHBondContact O-N 3Å; T494-I497 PolarHBondContact O-N 3.41Å; T494-T498 HydrophobicContact CG2-CG2 4.41Å; T494-T498 WeakPolarHBondContact O-CB 3.42Å; T494-T498 WeakPolarHBondContact O-CG2 3.31Å; T494-T498 PolarHBondContact O-N 2.84Å; T494-T498 PolarHBondContact O-OG1 3.21Å
495	N	71.9	Confident	73	Confident	72 Å²	72	76.7 Å²	76.7	39%	0.385	39%	0.391	S	S	.	.	H	α-helix	trans	-64.3	-32.1	175.1	-74.4	-17.2	0	0	0	112.3	Q491 R492 T498 T499	Q491-N495 PolarHBondContact O-N 3.24Å; Q491-N495 PolarHBondContact O-ND2 2.87Å; R492-N495 PolarHBondContact O-N 3.14Å; N495-T498 WeakPolarHBondContact CA-OG1 3.46Å; N495-T498 PolarHBondContact O-OG1 2.86Å; N495-T498 VanDerWaalsContact O-OG1 3.05Å; N495-T499 WeakPolarHBondContact O-CG2 3.22Å; N495-T499 PolarHBondContact O-N 3.19Å; N495-T499 PolarHBondContact O-OG1 2.95Å; N495-T499 VanDerWaalsContact O-OG1 3.07Å
496	I	65.3	Low	70.7	Confident	90 Å²	90	73.9 Å²	73.9	46%	0.462	38%	0.383	S	S	.	.	H	α-helix	trans	-71.5	-49	176.3	-65.2	165.2	0	0	0	110.6	R492 L493 T494 T498 T499 E500	R492-I496 WeakPolarHBondContact O-CG1 3.49Å; R492-I496 PolarHBondContact O-N 3.22Å; L493-I496 PolarHBondContact O-N 3.11Å; T494-I496 VanDerWaalsContact C-N 3.27Å; T494-I496 PolarHBondContact O-N 3Å; I496-T498 VanDerWaalsContact C-N 3.35Å; I496-T498 PolarHBondContact O-N 2.77Å; I496-T499 WeakPolarHBondContact CA-OG1 3.28Å; I496-T499 PolarHBondContact O-N 2.71Å; I496-T499 VanDerWaalsContact O-N 3.13Å; I496-T499 PolarHBondContact O-OG1 2.76Å; I496-E500 PolarHBondContact O-N 2.7Å
497	I	61.2	Low	68.6	Low	74 Å²	74	73.9 Å²	73.9	38%	0.379	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-45.8	-179.7	-64	165.2	0	0	0	110.6	A457 L493 T494 T499 E500 D501	A457-I497 HydrophobicContact CB-CD1 4.25Å; L493-I497 WeakPolarHBondContact O-CG1 3.43Å; L493-I497 PolarHBondContact O-N 3.05Å; L493-I497 VanDerWaalsContact O-N 3.16Å; T494-I497 PolarHBondContact O-N 3.41Å; I497-T499 VanDerWaalsContact C-N 3.3Å; I497-T499 PolarHBondContact O-N 2.9Å; I497-E500 PolarHBondContact O-N 3.14Å; I497-E500 VanDerWaalsContact O-N 3.16Å; I497-D501 WeakPolarHBondContact O-CB 3.43Å; I497-D501 PolarHBondContact O-N 2.86Å
498	T	59.3	Low	66.2	Low	62 Å²	62	81 Å²	81	38%	0.38	43%	0.426	S	S	.	.	H	α-helix	trans	-61.7	-36.1	176.8	49.7	0	0	0	0	112.7	T494 N495 I496 I502	T494-T498 HydrophobicContact CG2-CG2 4.41Å; T494-T498 WeakPolarHBondContact O-CB 3.42Å; T494-T498 WeakPolarHBondContact O-CG2 3.31Å; T494-T498 PolarHBondContact O-N 2.84Å; T494-T498 PolarHBondContact O-OG1 3.21Å; N495-T498 WeakPolarHBondContact CA-OG1 3.46Å; N495-T498 PolarHBondContact O-OG1 2.86Å; N495-T498 VanDerWaalsContact O-OG1 3.05Å; I496-T498 VanDerWaalsContact C-N 3.35Å; I496-T498 PolarHBondContact O-N 2.77Å; T498-I502 WeakPolarHBondContact O-CD1 3.06Å; T498-I502 WeakPolarHBondContact O-CG1 3.19Å; T498-I502 PolarHBondContact O-N 3.21Å
499	T	58.5	Low	64.1	Low	78 Å²	78	84.4 Å²	84.4	48%	0.479	45%	0.446	S	S	.	.	H	α-helix	trans	-69.5	-38.2	173.7	49.2	0	0	0	0	113.2	N495 I496 I497 I502 V503	N495-T499 WeakPolarHBondContact O-CG2 3.22Å; N495-T499 PolarHBondContact O-N 3.19Å; N495-T499 PolarHBondContact O-OG1 2.95Å; N495-T499 VanDerWaalsContact O-OG1 3.07Å; I496-T499 WeakPolarHBondContact CA-OG1 3.28Å; I496-T499 PolarHBondContact O-N 2.71Å; I496-T499 VanDerWaalsContact O-N 3.13Å; I496-T499 PolarHBondContact O-OG1 2.76Å; I497-T499 VanDerWaalsContact C-N 3.3Å; I497-T499 PolarHBondContact O-N 2.9Å; T499-I502 PolarHBondContact O-N 3.14Å; T499-V503 VanDerWaalsContact O-CG2 3.25Å; T499-V503 WeakPolarHBondContact O-CG2 3.32Å; T499-V503 PolarHBondContact O-N 2.73Å
500	E	52.6	Low	62.3	Low	129 Å²	129	83.3 Å²	83.3	60%	0.603	45%	0.448	S	S	*	.	H	α-helix	trans	-68.4	-38.1	176.1	-72.2	-167.7	166.4	0	0	112	I496 I497 V503 T504	I496-E500 PolarHBondContact O-N 2.7Å; I497-E500 PolarHBondContact O-N 3.14Å; I497-E500 VanDerWaalsContact O-N 3.16Å; E500-V503 PolarHBondContact O-N 2.84Å; E500-T504 PolarHBondContact O-N 2.79Å; E500-T504 PolarHBondContact O-OG1 3.28Å
501	D	52.1	Low	60.1	Low	90 Å²	90	89.3 Å²	89.3	48%	0.481	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-40.6	173.4	-75	-24.5	0	0	0	111.5	I497 T504 V505	I497-D501 WeakPolarHBondContact O-CB 3.43Å; I497-D501 PolarHBondContact O-N 2.86Å; D501-T504 VanDerWaalsContact CA-OG1 3.25Å; D501-T504 WeakPolarHBondContact CA-OG1 3.4Å; D501-T504 PolarHBondContact O-N 3Å; D501-T504 PolarHBondContact O-OG1 3.44Å; D501-T504 VanDerWaalsContact O-OG1 3.09Å; D501-V505 WeakPolarHBondContact O-CB 3.31Å; D501-V505 WeakPolarHBondContact O-CG2 3.24Å; D501-V505 PolarHBondContact O-N 3.41Å
502	I	55.2	Low	58	Low	106 Å²	106	92.4 Å²	92.4	54%	0.544	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-43	173.9	-68.6	163.5	0	0	0	110.7	T498 T499 V505 V506	T498-I502 WeakPolarHBondContact O-CD1 3.06Å; T498-I502 WeakPolarHBondContact O-CG1 3.19Å; T498-I502 PolarHBondContact O-N 3.21Å; T499-I502 PolarHBondContact O-N 3.14Å; I502-V505 PolarHBondContact O-N 2.67Å; I502-V506 HydrophobicContact CG2-CG2 4.3Å; I502-V506 WeakPolarHBondContact O-CB 3.46Å; I502-V506 WeakPolarHBondContact O-CG2 3.26Å; I502-V506 PolarHBondContact O-N 3.18Å
503	V	52.9	Low	56.1	Low	91 Å²	91	91.6 Å²	91.6	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-66.8	-38.4	179	172	0	0	0	0	111.7	T499 E500 T507	T499-V503 VanDerWaalsContact O-CG2 3.25Å; T499-V503 WeakPolarHBondContact O-CG2 3.32Å; T499-V503 PolarHBondContact O-N 2.73Å; E500-V503 PolarHBondContact O-N 2.84Å; V503-T507 WeakPolarHBondContact O-CB 3.18Å; V503-T507 WeakPolarHBondContact O-CG2 3.31Å; V503-T507 PolarHBondContact O-N 3.34Å; V503-T507 PolarHBondContact O-OG1 3.45Å
504	T	50.6	Low	54.4	Low	69 Å²	69	97.6 Å²	97.6	42%	0.423	53%	0.533	S	S	.	.	H	α-helix	trans	-69.7	-41.4	175.3	37.3	0	0	0	0	112.2	E500 D501 T507 M508	E500-T504 PolarHBondContact O-N 2.79Å; E500-T504 PolarHBondContact O-OG1 3.28Å; D501-T504 VanDerWaalsContact CA-OG1 3.25Å; D501-T504 WeakPolarHBondContact CA-OG1 3.4Å; D501-T504 PolarHBondContact O-N 3Å; D501-T504 PolarHBondContact O-OG1 3.44Å; D501-T504 VanDerWaalsContact O-OG1 3.09Å; T504-T507 VanDerWaalsContact CA-OG1 3.28Å; T504-T507 WeakPolarHBondContact CA-OG1 3.2Å; T504-T507 PolarHBondContact O-N 3.26Å; T504-T507 PolarHBondContact O-OG1 3.09Å; T504-M508 WeakPolarHBondContact O-CB 3.43Å; T504-M508 WeakPolarHBondContact O-CG 3.24Å; T504-M508 PolarHBondContact O-N 2.99Å
505	V	50.1	Low	52.9	Low	91 Å²	91	102.1 Å²	102.1	55%	0.552	56%	0.563	S	S	*	*	H	α-helix	trans	-62.6	-44.4	173.2	172.3	0	0	0	0	111	D501 I502 T507 M508 V509	D501-V505 WeakPolarHBondContact O-CB 3.31Å; D501-V505 WeakPolarHBondContact O-CG2 3.24Å; D501-V505 PolarHBondContact O-N 3.41Å; I502-V505 PolarHBondContact O-N 2.67Å; V505-T507 PolarHBondContact O-N 3.37Å; V505-M508 PolarHBondContact O-N 3.47Å; V505-V509 HydrophobicContact CG1-CG2 4.41Å; V505-V509 VanDerWaalsContact O-CG2 3.25Å; V505-V509 WeakPolarHBondContact O-CG2 3.32Å; V505-V509 PolarHBondContact O-N 2.88Å
506	V	48.8	Very low	51.5	Low	83 Å²	83	104.7 Å²	104.7	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-63	-43.2	177.6	171.3	0	0	0	0	111.3	I502 M508 V509 T510	I502-V506 HydrophobicContact CG2-CG2 4.3Å; I502-V506 WeakPolarHBondContact O-CB 3.46Å; I502-V506 WeakPolarHBondContact O-CG2 3.26Å; I502-V506 PolarHBondContact O-N 3.18Å; V506-M508 PolarHBondContact O-N 3.27Å; V506-V509 PolarHBondContact O-N 2.83Å; V506-T510 WeakPolarHBondContact O-CG2 3.39Å; V506-T510 PolarHBondContact O-N 2.98Å; V506-T510 VanDerWaalsContact O-N 3.1Å; V506-T510 PolarHBondContact O-OG1 2.68Å
507	T	52.9	Low	50.3	Low	66 Å²	66	110 Å²	110	41%	0.405	60%	0.604	S	S	.	*	H	α-helix	trans	-67.4	-33.8	177.7	43.5	0	0	0	0	113	V503 T504 V505 T510 N511	V503-T507 WeakPolarHBondContact O-CB 3.18Å; V503-T507 WeakPolarHBondContact O-CG2 3.31Å; V503-T507 PolarHBondContact O-N 3.34Å; V503-T507 PolarHBondContact O-OG1 3.45Å; T504-T507 VanDerWaalsContact CA-OG1 3.28Å; T504-T507 WeakPolarHBondContact CA-OG1 3.2Å; T504-T507 PolarHBondContact O-N 3.26Å; T504-T507 PolarHBondContact O-OG1 3.09Å; V505-T507 PolarHBondContact O-N 3.37Å; T507-T510 WeakPolarHBondContact CA-OG1 3.31Å; T507-T510 PolarHBondContact O-OG1 2.64Å; T507-N511 PolarHBondContact O-N 3.39Å
508	M	46.8	Very low	49.9	Very low	150 Å²	150	115.6 Å²	115.6	74%	0.739	63%	0.628	S	S	*	*	H	α-helix	trans	-70.4	-35.7	173.7	-72.4	-154.5	-179.5	0	0	113	T504 V505 V506 T510 N511	T504-M508 WeakPolarHBondContact O-CB 3.43Å; T504-M508 WeakPolarHBondContact O-CG 3.24Å; T504-M508 PolarHBondContact O-N 2.99Å; V505-M508 PolarHBondContact O-N 3.47Å; V506-M508 PolarHBondContact O-N 3.27Å; M508-T510 VanDerWaalsContact C-N 3.33Å; M508-N511 PolarHBondContact O-N 2.72Å
509	V	51.5	Low	49.1	Very low	106 Å²	106	117.3 Å²	117.3	64%	0.642	64%	0.643	S	S	*	*	H	α-helix	trans	-72.9	-26.2	177	178.8	0	0	0	0	111.9	V505 V506	V505-V509 HydrophobicContact CG1-CG2 4.41Å; V505-V509 VanDerWaalsContact O-CG2 3.25Å; V505-V509 WeakPolarHBondContact O-CG2 3.32Å; V505-V509 PolarHBondContact O-N 2.88Å; V506-V509 PolarHBondContact O-N 2.83Å
510	T	54.8	Low	48.5	Very low	97 Å²	97	119 Å²	119	60%	0.595	66%	0.657	S	S	*	*	H	α-helix	trans	-83.3	-16.5	175.8	53.5	0	0	0	0	114.6	V506 T507 M508 V512	V506-T510 WeakPolarHBondContact O-CG2 3.39Å; V506-T510 PolarHBondContact O-N 2.98Å; V506-T510 VanDerWaalsContact O-N 3.1Å; V506-T510 PolarHBondContact O-OG1 2.68Å; T507-T510 WeakPolarHBondContact CA-OG1 3.31Å; T507-T510 PolarHBondContact O-OG1 2.64Å; M508-T510 VanDerWaalsContact C-N 3.33Å; T510-V512 VanDerWaalsContact C-N 3.31Å; T510-V512 PolarHBondContact O-N 2.65Å
511	N	47	Very low	47.9	Very low	128 Å²	128	124.9 Å²	124.9	68%	0.684	69%	0.692	S	S	*	*			trans	-93.2	35.6	179.8	-82	-9.1	0	0	0	113.2	T507 M508 D513	T507-N511 PolarHBondContact O-N 3.39Å; M508-N511 PolarHBondContact O-N 2.72Å; N511-D513 PolarHBondContact O-N 3.15Å
512	V	46.2	Very low	47.6	Very low	108 Å²	108	126.7 Å²	126.7	66%	0.655	70%	0.702	S	S	*	*			trans	-77	102.3	165.1	-174.4	0	0	0	0	107.3	T510 F514	T510-V512 VanDerWaalsContact C-N 3.31Å; T510-V512 PolarHBondContact O-N 2.65Å; V512-F514 PolarHBondContact O-N 3.02Å
513	D	46.5	Very low	47.3	Very low	156 Å²	156	127.7 Å²	127.7	83%	0.834	71%	0.711	S	S	*	*			trans	-48.3	111.5	175.2	-75.7	-45	0	0	0	110.7	N511	N511-D513 PolarHBondContact O-N 3.15Å
514	F	44.9	Very low	46.9	Very low	194 Å²	194	129.8 Å²	129.8	85%	0.851	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-67.3	130.7	166.5	-78.2	-85.3	0	0	0	108.4	V512	V512-F514 PolarHBondContact O-N 3.02Å
515	P	42.7	Very low	46.7	Very low	105 Å²	105	133.4 Å²	133.4	68%	0.682	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-62.7	145.4	175.9	25.3	-31.4	0	0	0	109.9	K517	P515-K517 PolarHBondContact O-N 3.48Å
516	P	41.4	Very low	46.5	Very low	126 Å²	126	136 Å²	136	82%	0.818	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-63.3	125.8	-176.1	25.2	-31.5	0	0	0	109.8	E518	P516-E518 PolarHBondContact O-N 2.88Å
517	K	40.9	Very low	46.4	Very low	202 Å²	202	139.5 Å²	139.5	88%	0.878	77%	0.765	S	S	*	*			trans	-67.2	111.7	172.1	-80.8	-176.5	174.8	178.8	0	109.4	P515	P515-K517 PolarHBondContact O-N 3.48Å
518	E	52.5	Low	45.9	Very low	191 Å²	191	144.8 Å²	144.8	89%	0.893	79%	0.791	S	S	*	*			trans	-73.4	124.6	156.1	-73.1	-172.1	159.9	0	0	109.9	P516	P516-E518 PolarHBondContact O-N 2.88Å
519	S	42.7	Very low	45.8	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	80%	0.795	S	S	*	*			trans	-177.7	104	157.2	38.6	0	0	0	0	106.3
520	S	44.8	Very low	45.3	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	81%	0.807	S	S	*	*				66.5	117.5	66.2	-50.7	0	0	0	0	113.3
521	L	39.7	Very low	44.5	Very low	254 Å²	254	152.2 Å²	152.2	100%	1.33	83%	0.827	S	S	*	*			trans	87.3	0	176.4	-66.1	164.3	0	0	0	117.5

Retrieved 521 of 521 residues in 804.3 ms (Link to these results)

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