A0A077ZCA2_TRITR Loading...

Bifunctional arginine demethylase

AlphaFold DB , UniProt , Accession A0A077ZCA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 491 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.7	Very low	67	Low	232 Å²	232	143.2 Å²	143.2	100%	1.143	73%	0.728	S	S	*	*				0	114.7	0	-74.9	-89.6	-155.5	0	0	108.6	L3	M1-L3 PolarHBondContact O-N 3.43Å
2	P	50.5	Low	68.2	Low	125 Å²	125	136.3 Å²	136.3	81%	0.812	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.9	131.6	173.7	24.3	-30.1	0	0	0	110	V4	P2-V4 PolarHBondContact O-N 3.01Å
3	L	64.3	Low	69.2	Low	165 Å²	165	131.7 Å²	131.7	86%	0.864	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-61.7	118.1	176.6	-80.3	163.1	0	0	0	109.4	M1 T5	M1-L3 PolarHBondContact O-N 3.43Å; L3-T5 PolarHBondContact O-N 3.17Å
4	V	71.3	Confident	70.2	Confident	119 Å²	119	131.1 Å²	131.1	72%	0.721	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-62.5	123.8	177.1	-176.4	0	0	0	0	108.5	P2 F74	P2-V4 PolarHBondContact O-N 3.01Å; V4-F74 HydrophobicContact CB-CZ 4.35Å; V4-F74 HydrophobicContact CG1-CE1 4.01Å; V4-F74 HydrophobicContact CG1-CZ 3.93Å; V4-F74 WeakPolarHBondContact O-CZ 3.44Å
5	T	75.2	Confident	71.3	Confident	109 Å²	109	130.5 Å²	130.5	67%	0.669	66%	0.657	S	S	*	*			trans	-107.2	141.4	174.2	53.8	0	0	0	0	110.2	L3 A7	L3-T5 PolarHBondContact O-N 3.17Å; T5-A7 PolarHBondContact O-N 3.26Å
6	P	72.3	Confident	72.2	Confident	26 Å²	26	124.3 Å²	124.3	17%	0.169	63%	0.625	C	S	.	*			trans	-68.3	126.9	180	27.2	-33.2	0	0	0	109.9	R8 K9 F74	P6-R8 PolarHBondContact O-N 3.27Å; P6-K9 HydrophobicContact CG-CG 4.18Å; P6-F74 HydrophobicContact CB-CE1 4.2Å; P6-F74 HydrophobicContact CB-CZ 4.18Å; P6-F74 HydrophobicContact CG-CE2 4.4Å; P6-F74 HydrophobicContact CG-CZ 4.4Å
7	A	71.5	Confident	73	Confident	111 Å²	111	124.1 Å²	124.1	92%	0.917	63%	0.634	S	S	*	*	S	Bend	trans	-57	-21.6	-179.5	0	0	0	0	0	114.1	T5	T5-A7 PolarHBondContact O-N 3.26Å
8	R	67.4	Low	73.7	Confident	176 Å²	176	126.4 Å²	126.4	66%	0.664	64%	0.639	S	S	*	*	S	Bend	trans	-137.4	118.4	172.1	-70.5	-176.3	176.2	-175.6	-4.9	110	P6 Y10	P6-R8 PolarHBondContact O-N 3.27Å; R8-Y10 HydrophobicContact CB-CD2 4.35Å; R8-Y10 HydrophobicContact CB-CE2 3.67Å; R8-Y10 VanDerWaalsContact CD-OH 3.26Å; R8-Y10 WeakPolarHBondContact CD-OH 3.29Å
9	K	69.4	Low	74.5	Confident	181 Å²	181	129.9 Å²	129.9	79%	0.787	65%	0.649	S	S	*	*			trans	-83.5	126.1	169.3	-66.7	-178.8	-178.1	178.3	0	109	P6	P6-K9 HydrophobicContact CG-CG 4.18Å
10	Y	72.1	Confident	75.3	Confident	104 Å²	104	125.8 Å²	125.8	41%	0.408	63%	0.627	S	S	.	*			trans	-114.3	131.1	176.8	-65.7	-81.7	0	0	0	110.1	R8 I12	R8-Y10 HydrophobicContact CB-CD2 4.35Å; R8-Y10 HydrophobicContact CB-CE2 3.67Å; R8-Y10 VanDerWaalsContact CD-OH 3.26Å; R8-Y10 WeakPolarHBondContact CD-OH 3.29Å; Y10-I12 PolarHBondContact O-N 3.27Å
11	R	80	Confident	76.1	Confident	227 Å²	227	121.9 Å²	121.9	86%	0.857	61%	0.61	S	S	*	*			trans	-66.6	118.9	166.7	-175	177.1	177.1	-174.2	0.3	108.9	V13 T66	R11-V13 PolarHBondContact O-N 3.42Å; R11-T66 WeakPolarHBondContact O-CG2 3.37Å
12	I	81.3	Confident	78.4	Confident	60 Å²	60	115 Å²	115	31%	0.308	57%	0.572	S	S	.	*			trans	-71.5	102.1	-178.6	-60.2	174.2	0	0	0	109.7	Y10 V69	Y10-I12 PolarHBondContact O-N 3.27Å; I12-V69 WeakPolarHBondContact CD1-O 3.48Å
13	V	81.7	Confident	80.3	Confident	77 Å²	77	111.2 Å²	111.2	47%	0.467	54%	0.543	S	S	.	.			trans	-90.3	122	175.3	-176.2	0	0	0	0	111.2	R11 A63 T66	R11-V13 PolarHBondContact O-N 3.42Å; V13-A63 HydrophobicContact CB-CB 4.26Å; V13-A63 PolarHBondContact O-N 3.1Å; V13-T66 PolarHBondContact O-OG1 2.9Å
14	K	83.4	Confident	81.5	Confident	124 Å²	124	106.5 Å²	106.5	54%	0.539	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-91	133.2	168.9	-61.5	-67.9	-179.9	173.9	0	109	H16 S62	K14-H16 PolarHBondContact O-N 2.81Å; K14-S62 PolarHBondContact NZ-OG 2.9Å
15	K	86.4	Confident	82.5	Confident	121 Å²	121	102 Å²	102	53%	0.526	49%	0.49	S	S	.	.	S	Bend	trans	-72	-18.3	176.8	-64.2	179.4	173.1	-158.8	0	113	G59 G61	K15-G59 WeakPolarHBondContact CD-O 3.28Å; K15-G61 WeakPolarHBondContact CB-O 3.45Å; K15-G61 WeakPolarHBondContact CD-O 3.37Å; K15-G61 WeakPolarHBondContact CG-O 2.9Å; K15-G61 PolarHBondContact N-O 3.09Å
16	H	86.5	Confident	83.2	Confident	32 Å²	32	102.3 Å²	102.3	15%	0.148	49%	0.488	C	S	.	.			trans	-136.9	102.3	178.3	-168.9	-87.1	0	0	0	109	K14 K18 Y60	K14-H16 PolarHBondContact O-N 2.81Å; H16-K18 PolarHBondContact CE1-O 3.02Å; H16-K18 PolarHBondContact ND1-O 3.42Å; H16-Y60 HydrophobicContact CB-CD1 3.74Å; H16-Y60 HydrophobicContact CB-CG 4.29Å; H16-Y60 AromaticContact CD2-CD1 3.48Å; H16-Y60 VanDerWaalsContact CD2-CD1 3.48Å; H16-Y60 WeakPolarHBondContact CD2-CD1 3.48Å; H16-Y60 AromaticContact CD2-CE1 3.52Å; H16-Y60 AromaticContact CG-CD1 3.8Å
17	P	84.7	Confident	84	Confident	120 Å²	120	109.8 Å²	109.8	78%	0.779	51%	0.513	S	S	*	.			trans	-75.3	-29	-176.8	27.5	-33	0	0	0	112.7
18	K	86.6	Confident	84.9	Confident	167 Å²	167	108.4 Å²	108.4	73%	0.726	48%	0.484	S	S	*	.	S	Bend	trans	-70.7	138.8	-178.8	-62.5	-174	178.9	-173	0	111	H16	H16-K18 PolarHBondContact CE1-O 3.02Å; H16-K18 PolarHBondContact ND1-O 3.42Å
19	K	87.4	Confident	85.9	Confident	192 Å²	192	109.4 Å²	109.4	84%	0.835	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-70.4	143.2	173.3	-69.1	-178	-179.3	175.7	0	110
20	F	91.4	Very high	87	Confident	47 Å²	47	110.8 Å²	110.8	21%	0.206	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-76.1	124.3	167.8	-66.2	-79.5	0	0	0	108.5	W35 R54 P56 Y60	F20-W35 HydrophobicContact CB-CB 4.16Å; F20-W35 HydrophobicContact CB-CD2 3.9Å; F20-W35 HydrophobicContact CB-CE3 3.63Å; F20-W35 HydrophobicContact CB-CG 4.11Å; F20-W35 HydrophobicContact CB-CZ3 4.4Å; F20-W35 WeakPolarHBondContact O-CB 3.49Å; F20-R54 VanDerWaalsContact CD1-O 3.29Å; F20-R54 WeakPolarHBondContact CD1-O 2.92Å; F20-R54 HydrophobicContact CE1-CB 4.34Å; F20-P56 HydrophobicContact CB-CG 4.22Å; F20-P56 HydrophobicContact CD1-CG 3.85Å; F20-P56 HydrophobicContact CD2-CG 3.81Å; F20-P56 HydrophobicContact CE1-CG 4.14Å; F20-P56 HydrophobicContact CE2-CB 4.36Å; F20-P56 HydrophobicContact CE2-CG 4.1Å; F20-P56 HydrophobicContact CG-CG 3.68Å; F20-P56 HydrophobicContact CZ-CB 4.41Å; F20-P56 HydrophobicContact CZ-CG 4.27Å; F20-Y60 HydrophobicContact CE1-CD2 4.15Å; F20-Y60 HydrophobicContact CE1-CE2 4.26Å; F20-Y60 HydrophobicContact CZ-CD1 4.38Å; F20-Y60 AromaticContact CZ-CD2 3.57Å; F20-Y60 HydrophobicContact CZ-CD2 3.57Å; F20-Y60 HydrophobicContact CZ-CE2 4.12Å; F20-Y60 AromaticContact CZ-CG 3.72Å; F20-Y60 HydrophobicContact CZ-CG 3.72Å
21	T	91.5	Very high	87.9	Confident	45 Å²	45	107 Å²	107	28%	0.276	48%	0.483	S	S	.	.			trans	-108.5	155.3	-177	49.2	0	0	0	0	111	P33 R53	T21-P33 WeakPolarHBondContact CA-O 3.48Å; T21-P33 HydrophobicContact CG2-CB 4.21Å; T21-R53 PolarHBondContact OG1-NH1 2.6Å
22	R	91.6	Very high	88.5	Confident	88 Å²	88	103.3 Å²	103.3	33%	0.332	47%	0.473	S	S	.	.			trans	-65.3	144.2	179.2	-161.7	163.2	168.3	-173.6	-0.4	110.8	Q24 C25 I31 N34 R36	R22-Q24 PolarHBondContact O-N 3.36Å; R22-C25 HydrophobicContact CB-CB 4.18Å; R22-C25 PolarHBondContact O-N 2.8Å; R22-C25 PolarHBondContact O-SG 3.21Å; R22-I31 HydrophobicContact CB-CG2 4.16Å; R22-I31 HydrophobicContact CG-CG2 3.9Å; R22-N34 VanDerWaalsContact CB-O 3.31Å; R22-N34 WeakPolarHBondContact CB-O 3.19Å; R22-R36 HydrophobicContact CG-CB 4.45Å
23	H	90.9	Very high	89	Confident	44 Å²	44	104.1 Å²	104.1	20%	0.204	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	132.5	168.1	178.1	-119.9	0	0	0	109.9	C25 P38 N43 V45	H23-C25 VanDerWaalsContact C-N 3.29Å; H23-C25 PolarHBondContact O-N 3.07Å; H23-P38 HydrophobicContact CB-CG 4.28Å; H23-N43 PolarHBondContact CE1-ND2 3.26Å; H23-N43 PolarHBondContact ND1-ND2 3.45Å; H23-V45 HydrophobicContact CB-CG2 4.48Å; H23-V45 WeakPolarHBondContact CD2-CG2 3.3Å
24	Q	89.5	Confident	89.4	Confident	66 Å²	66	105.8 Å²	105.8	31%	0.308	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	14.8	179.4	-58.9	168.5	-20.6	0	0	116.5	R22 D26 R27 Y28 I31	R22-Q24 PolarHBondContact O-N 3.36Å; Q24-D26 WeakPolarHBondContact CA-OD1 3.47Å; Q24-D26 PolarHBondContact O-N 3Å; Q24-R27 HydrophobicContact CB-CB 4.32Å; Q24-R27 PolarHBondContact O-N 2.98Å; Q24-Y28 HydrophobicContact CB-CD2 3.8Å; Q24-Y28 HydrophobicContact CB-CE2 3.98Å; Q24-Y28 HydrophobicContact CG-CE2 4.27Å; Q24-Y28 PolarHBondContact O-N 3.47Å; Q24-Y28 VanDerWaalsContact O-N 3.17Å; Q24-I31 HydrophobicContact CB-CD1 4.2Å
25	C	91.3	Very high	89.8	Confident	25 Å²	25	103.9 Å²	103.9	17%	0.169	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.9	173.9	67.4	0	0	0	0	113.8	R22 H23 I31 P33 R53	R22-C25 HydrophobicContact CB-CB 4.18Å; R22-C25 PolarHBondContact O-N 2.8Å; R22-C25 PolarHBondContact O-SG 3.21Å; H23-C25 VanDerWaalsContact C-N 3.29Å; H23-C25 PolarHBondContact O-N 3.07Å; C25-I31 VanDerWaalsContact CA-O 3.3Å; C25-I31 WeakPolarHBondContact CA-O 3.5Å; C25-I31 HydrophobicContact CB-CG2 3.96Å; C25-I31 WeakPolarHBondContact CB-O 3.36Å; C25-P33 HydrophobicContact CB-CB 4.19Å; C25-R53 PolarHBondContact SG-NH1 3.48Å
26	D	89.5	Confident	90	Very high	116 Å²	116	106.2 Å²	106.2	62%	0.62	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-21.9	172.7	52	-36.7	0	0	0	113.3	Q24 R53	Q24-D26 WeakPolarHBondContact CA-OD1 3.47Å; Q24-D26 PolarHBondContact O-N 3Å; D26-R53 IonicContact OD1-CZ 3.92Å; D26-R53 IonicContact OD1-NE 2.73Å; D26-R53 IonicContact OD1-NH2 3.77Å; D26-R53 PolarHBondContact OD1-NH2 3.07Å; D26-R53 IonicContact OD2-CZ 3.7Å; D26-R53 IonicContact OD2-NH2 3.68Å; D26-R53 PolarHBondContact OD2-NH2 2.69Å
27	R	90.2	Very high	90.2	Very high	182 Å²	182	112.3 Å²	112.3	69%	0.687	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-28.6	-174.6	-167.1	172.7	-175.3	176	-0.1	113.2	Q24	Q24-R27 HydrophobicContact CB-CB 4.32Å; Q24-R27 PolarHBondContact O-N 2.98Å
28	Y	91.2	Very high	90.5	Very high	82 Å²	82	107.1 Å²	107.1	32%	0.322	48%	0.476	S	S	.	.			trans	-129.4	119.4	-175.3	-58.3	-73.1	0	0	0	110.7	Q24 R30 I31	Q24-Y28 HydrophobicContact CB-CD2 3.8Å; Q24-Y28 HydrophobicContact CB-CE2 3.98Å; Q24-Y28 HydrophobicContact CG-CE2 4.27Å; Q24-Y28 PolarHBondContact O-N 3.47Å; Q24-Y28 VanDerWaalsContact O-N 3.17Å; Y28-R30 PolarHBondContact O-N 3.18Å; Y28-I31 HydrophobicContact CD2-CD1 3.69Å; Y28-I31 HydrophobicContact CG-CD1 4.19Å; Y28-I31 WeakPolarHBondContact O-CB 3.49Å; Y28-I31 PolarHBondContact O-N 3.15Å
29	H	88	Confident	90.6	Very high	198 Å²	198	108.1 Å²	108.1	92%	0.917	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.8	179.6	-169.9	74.6	0	0	0	112.9	I31	H29-I31 PolarHBondContact O-N 2.83Å; H29-I31 VanDerWaalsContact O-N 3.12Å
30	R	92.7	Very high	90.7	Very high	210 Å²	210	101.3 Å²	101.3	79%	0.792	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.4	174.8	65.1	-176.6	177.7	-175.4	-1.5	114.5	Y28	Y28-R30 PolarHBondContact O-N 3.18Å
31	I	90	Very high	90.6	Very high	23 Å²	23	105 Å²	105	12%	0.118	49%	0.485	C	S	.	.	S	Bend	trans	-100.1	97.3	-177	-57.4	-175.3	0	0	0	109.8	R22 Q24 C25 Y28 H29	R22-I31 HydrophobicContact CB-CG2 4.16Å; R22-I31 HydrophobicContact CG-CG2 3.9Å; Q24-I31 HydrophobicContact CB-CD1 4.2Å; C25-I31 VanDerWaalsContact CA-O 3.3Å; C25-I31 WeakPolarHBondContact CA-O 3.5Å; C25-I31 HydrophobicContact CB-CG2 3.96Å; C25-I31 WeakPolarHBondContact CB-O 3.36Å; Y28-I31 HydrophobicContact CD2-CD1 3.69Å; Y28-I31 HydrophobicContact CG-CD1 4.19Å; Y28-I31 WeakPolarHBondContact O-CB 3.49Å; Y28-I31 PolarHBondContact O-N 3.15Å; H29-I31 PolarHBondContact O-N 2.83Å; H29-I31 VanDerWaalsContact O-N 3.12Å
32	K	91.7	Very high	90.5	Very high	150 Å²	150	108.5 Å²	108.5	65%	0.652	50%	0.502	S	S	*	.			trans	-59.7	146.4	172.8	-62	-174.8	179.8	-177.6	0	111.6	N34	K32-N34 PolarHBondContact O-N 3.26Å
33	P	92	Very high	90.5	Very high	78 Å²	78	105.6 Å²	105.6	51%	0.506	49%	0.493	S	S	.	.	S	Bend	trans	-72.9	27.3	-176.1	31.3	-37.4	0	0	0	114.9	T21 C25	T21-P33 WeakPolarHBondContact CA-O 3.48Å; T21-P33 HydrophobicContact CG2-CB 4.21Å; C25-P33 HydrophobicContact CB-CB 4.19Å
34	N	91.5	Very high	90.6	Very high	111 Å²	111	110.8 Å²	110.8	59%	0.594	51%	0.511	S	S	*	.			trans	-85.3	123.3	-179	-65.6	-23.1	0	0	0	111	R22 K32 R36	R22-N34 VanDerWaalsContact CB-O 3.31Å; R22-N34 WeakPolarHBondContact CB-O 3.19Å; K32-N34 PolarHBondContact O-N 3.26Å; N34-R36 PolarHBondContact O-N 3.02Å
35	W	91.1	Very high	90.7	Very high	85 Å²	85	107.7 Å²	107.7	32%	0.322	50%	0.497	S	S	.	.			trans	-49	124.3	-178.6	175.6	-106.4	0	0	0	112.6	F20 M55 P56	F20-W35 HydrophobicContact CB-CB 4.16Å; F20-W35 HydrophobicContact CB-CD2 3.9Å; F20-W35 HydrophobicContact CB-CE3 3.63Å; F20-W35 HydrophobicContact CB-CG 4.11Å; F20-W35 HydrophobicContact CB-CZ3 4.4Å; F20-W35 WeakPolarHBondContact O-CB 3.49Å; W35-M55 HydrophobicContact CH2-CB 3.95Å; W35-M55 HydrophobicContact CH2-CE 4.2Å; W35-M55 HydrophobicContact CH2-CG 3.9Å; W35-M55 HydrophobicContact CZ2-CE 4.29Å; W35-P56 HydrophobicContact CD2-CG 3.96Å; W35-P56 HydrophobicContact CG-CG 4.44Å; W35-P56 HydrophobicContact CH2-CG 4.32Å; W35-P56 HydrophobicContact CZ2-CG 3.75Å
36	R	90.9	Very high	90.7	Very high	170 Å²	170	111.9 Å²	111.9	64%	0.642	51%	0.509	S	S	*	.			trans	-135.7	140.5	162.6	-71.7	-148.2	177.2	168.3	0.8	108.9	R22 N34 P38	R22-R36 HydrophobicContact CG-CB 4.45Å; N34-R36 PolarHBondContact O-N 3.02Å; R36-P38 WeakPolarHBondContact O-CD 3.49Å
37	K	90.9	Very high	90.8	Very high	159 Å²	159	112.9 Å²	112.9	69%	0.691	50%	0.504	S	S	*	.			trans	-61.5	121.4	176.9	-170.4	177.7	-179.2	-176.1	0	108.8	M55	K37-M55 HydrophobicContact CG-CE 4.06Å
38	P	91.1	Very high	90.8	Very high	12 Å²	12	111.9 Å²	111.9	8%	0.078	50%	0.5	C	S	.	.			trans	-59	139.5	176.5	-22.9	33.3	0	0	0	111.4	H23 R36 N43 V45 R46	H23-P38 HydrophobicContact CB-CG 4.28Å; R36-P38 WeakPolarHBondContact O-CD 3.49Å; P38-N43 WeakPolarHBondContact CB-OD1 3.42Å; P38-V45 HydrophobicContact CB-CB 4.42Å; P38-V45 HydrophobicContact CG-CB 4Å; P38-V45 HydrophobicContact CG-CG1 3.77Å; P38-R46 HydrophobicContact CB-CB 4.34Å
39	K	88.8	Confident	90.8	Very high	188 Å²	188	111.8 Å²	111.8	82%	0.817	50%	0.501	S	S	*	.			trans	-109.5	169.5	177.3	-63.7	-173.1	176.3	-173	0	110.2	N43	K39-N43 VanDerWaalsContact O-CB 3.27Å; K39-N43 WeakPolarHBondContact O-CB 3.28Å
40	G	89.7	Confident	90.9	Very high	48 Å²	48	112.7 Å²	112.7	50%	0.495	50%	0.503	S	S	.	.	S	Bend	trans	96.7	140.6	176.2	0	0	0	0	0	113.8	D42 N43 R46	G40-D42 PolarHBondContact O-N 3.26Å; G40-N43 PolarHBondContact O-N 2.95Å; G40-R46 VanDerWaalsContact O-CD 3.26Å; G40-R46 WeakPolarHBondContact O-CD 3.44Å; G40-R46 PolarHBondContact O-NE 3.29Å
41	I	87.8	Confident	90.7	Very high	126 Å²	126	106.6 Å²	106.6	65%	0.646	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-39.8	-174.8	59.1	176.6	0	0	0	112	R46 R47	I41-R46 PolarHBondContact O-NH2 3.39Å; I41-R47 WeakPolarHBondContact O-CD 3.33Å
42	D	90.8	Very high	90.7	Very high	118 Å²	118	108.9 Å²	108.9	63%	0.631	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.3	-176.8	-55.8	-50.3	0	0	0	115.1	G40 R44	G40-D42 PolarHBondContact O-N 3.26Å; D42-R44 PolarHBondContact O-N 3.29Å
43	N	90.4	Very high	90.6	Very high	27 Å²	27	105.7 Å²	105.7	14%	0.144	50%	0.499	C	S	.	.			trans	-65.6	114.4	-176.4	-174.9	-71.5	0	0	0	111.7	H23 P38 K39 G40 V45 R46 R47	H23-N43 PolarHBondContact CE1-ND2 3.26Å; H23-N43 PolarHBondContact ND1-ND2 3.45Å; P38-N43 WeakPolarHBondContact CB-OD1 3.42Å; K39-N43 VanDerWaalsContact O-CB 3.27Å; K39-N43 WeakPolarHBondContact O-CB 3.28Å; G40-N43 PolarHBondContact O-N 2.95Å; N43-V45 VanDerWaalsContact C-N 3.28Å; N43-V45 PolarHBondContact O-N 3.38Å; N43-V45 WeakPolarHBondContact OD1-CA 3.45Å; N43-V45 WeakPolarHBondContact OD1-CB 3.22Å; N43-V45 PolarHBondContact OD1-N 3.45Å; N43-R46 HydrophobicContact CB-CB 3.91Å; N43-R46 WeakPolarHBondContact O-CB 3.25Å; N43-R46 PolarHBondContact O-N 3.42Å; N43-R46 VanDerWaalsContact O-N 3.07Å; N43-R46 PolarHBondContact OD1-N 3.24Å; N43-R47 PolarHBondContact O-N 3.45Å
44	R	92.7	Very high	90.4	Very high	152 Å²	152	110 Å²	110	57%	0.574	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-34.4	-178.1	-71.1	-173.1	164.4	-130.1	-2.8	113.9	D42 R48 F49 Q52	D42-R44 PolarHBondContact O-N 3.29Å; R44-R48 PolarHBondContact O-N 3.27Å; R44-F49 HydrophobicContact CB-CB 4.38Å; R44-F49 HydrophobicContact CB-CG 4.45Å; R44-F49 HydrophobicContact CG-CG 4.48Å; R44-F49 PolarHBondContact O-N 3.25Å; R44-Q52 HydrophobicContact CB-CG 4.1Å
45	V	91.7	Very high	90.3	Very high	2 Å²	2	105.8 Å²	105.8	1%	0.012	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-43.9	175.2	-173.2	0	0	0	0	110.9	H23 P38 N43 R47 R48 Q52 R53 M55	H23-V45 HydrophobicContact CB-CG2 4.48Å; H23-V45 WeakPolarHBondContact CD2-CG2 3.3Å; P38-V45 HydrophobicContact CB-CB 4.42Å; P38-V45 HydrophobicContact CG-CB 4Å; P38-V45 HydrophobicContact CG-CG1 3.77Å; N43-V45 VanDerWaalsContact C-N 3.28Å; N43-V45 PolarHBondContact O-N 3.38Å; N43-V45 WeakPolarHBondContact OD1-CA 3.45Å; N43-V45 WeakPolarHBondContact OD1-CB 3.22Å; N43-V45 PolarHBondContact OD1-N 3.45Å; V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 2.67Å; V45-R48 PolarHBondContact O-N 3.45Å; V45-Q52 HydrophobicContact CG2-CB 4.19Å; V45-R53 HydrophobicContact CG1-CB 4.5Å; V45-M55 HydrophobicContact CG1-CG 4.1Å; V45-M55 VanDerWaalsContact O-SD 3.37Å
46	R	91.2	Very high	90.2	Very high	112 Å²	112	104.3 Å²	104.3	42%	0.423	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-44.5	175.6	-171.8	-170.5	76.7	105.7	2	111.1	P38 G40 I41 N43 R48	P38-R46 HydrophobicContact CB-CB 4.34Å; G40-R46 VanDerWaalsContact O-CD 3.26Å; G40-R46 WeakPolarHBondContact O-CD 3.44Å; G40-R46 PolarHBondContact O-NE 3.29Å; I41-R46 PolarHBondContact O-NH2 3.39Å; N43-R46 HydrophobicContact CB-CB 3.91Å; N43-R46 WeakPolarHBondContact O-CB 3.25Å; N43-R46 PolarHBondContact O-N 3.42Å; N43-R46 VanDerWaalsContact O-N 3.07Å; N43-R46 PolarHBondContact OD1-N 3.24Å; R46-R48 PolarHBondContact O-N 2.88Å
47	R	92	Very high	90	Very high	137 Å²	137	101.9 Å²	101.9	52%	0.517	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.7	177.9	-61.5	177.3	71.9	174.6	-1.5	113.6	I41 N43 V45 F49	I41-R47 WeakPolarHBondContact O-CD 3.33Å; N43-R47 PolarHBondContact O-N 3.45Å; V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 2.67Å; R47-F49 HydrophobicContact CB-CD2 3.58Å; R47-F49 HydrophobicContact CB-CE2 3.46Å; R47-F49 VanDerWaalsContact CB-CE2 3.46Å; R47-F49 HydrophobicContact CG-CE2 4.29Å; R47-F49 PolarHBondContact O-N 3.29Å
48	R	90.3	Very high	89.7	Confident	161 Å²	161	102.8 Å²	102.8	61%	0.608	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	40.7	174.7	-54.9	179.6	177.4	179.8	2.3	114.6	R44 V45 R46 M55	R44-R48 PolarHBondContact O-N 3.27Å; V45-R48 PolarHBondContact O-N 3.45Å; R46-R48 PolarHBondContact O-N 2.88Å; R48-M55 HydrophobicContact CG-SD 4.39Å
49	F	90.9	Very high	89.3	Confident	80 Å²	80	104.4 Å²	104.4	35%	0.351	51%	0.507	S	S	.	.			trans	-60.4	150.4	175	-81.7	-122.6	0	0	0	111.1	R44 R47 Q52	R44-F49 HydrophobicContact CB-CB 4.38Å; R44-F49 HydrophobicContact CB-CG 4.45Å; R44-F49 HydrophobicContact CG-CG 4.48Å; R44-F49 PolarHBondContact O-N 3.25Å; R47-F49 HydrophobicContact CB-CD2 3.58Å; R47-F49 HydrophobicContact CB-CE2 3.46Å; R47-F49 VanDerWaalsContact CB-CE2 3.46Å; R47-F49 HydrophobicContact CG-CE2 4.29Å; R47-F49 PolarHBondContact O-N 3.29Å; F49-Q52 HydrophobicContact CB-CG 3.98Å; F49-Q52 VanDerWaalsContact O-CB 3.31Å; F49-Q52 WeakPolarHBondContact O-CB 3.5Å; F49-Q52 WeakPolarHBondContact O-CG 3.41Å; F49-Q52 PolarHBondContact O-N 3.31Å
50	K	90.1	Very high	89.2	Confident	218 Å²	218	97.9 Å²	97.9	95%	0.948	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	143.2	175.5	-169.7	178.3	178.1	-175.8	0	110.2	Q52	K50-Q52 VanDerWaalsContact C-N 3.25Å; K50-Q52 PolarHBondContact O-N 3.22Å
51	G	89.4	Confident	88.7	Confident	81 Å²	81	97.4 Å²	97.4	84%	0.835	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-9	-178.3	0	0	0	0	0	115.5
52	Q	90	Very high	88.4	Confident	71 Å²	71	92.1 Å²	92.1	33%	0.332	45%	0.447	S	S	.	.	S	Bend	trans	-81.6	160.5	179.2	-62.1	-57.4	-43.5	0	0	113.2	R44 V45 F49 K50 R54	R44-Q52 HydrophobicContact CB-CG 4.1Å; V45-Q52 HydrophobicContact CG2-CB 4.19Å; F49-Q52 HydrophobicContact CB-CG 3.98Å; F49-Q52 VanDerWaalsContact O-CB 3.31Å; F49-Q52 WeakPolarHBondContact O-CB 3.5Å; F49-Q52 WeakPolarHBondContact O-CG 3.41Å; F49-Q52 PolarHBondContact O-N 3.31Å; K50-Q52 VanDerWaalsContact C-N 3.25Å; K50-Q52 PolarHBondContact O-N 3.22Å; Q52-R54 PolarHBondContact O-N 2.81Å
53	R	89	Confident	88	Confident	84 Å²	84	87.7 Å²	87.7	32%	0.317	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-55.7	136.8	176.8	-64.4	176.5	179	-112.4	-12.1	110.9	T21 C25 D26 V45	T21-R53 PolarHBondContact OG1-NH1 2.6Å; C25-R53 PolarHBondContact SG-NH1 3.48Å; D26-R53 IonicContact OD1-CZ 3.92Å; D26-R53 IonicContact OD1-NE 2.73Å; D26-R53 IonicContact OD1-NH2 3.77Å; D26-R53 PolarHBondContact OD1-NH2 3.07Å; D26-R53 IonicContact OD2-CZ 3.7Å; D26-R53 IonicContact OD2-NH2 3.68Å; D26-R53 PolarHBondContact OD2-NH2 2.69Å; V45-R53 HydrophobicContact CG1-CB 4.5Å
54	R	88.1	Confident	87.4	Confident	168 Å²	168	96.3 Å²	96.3	63%	0.634	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-66.7	137.6	178	-69	180	172.6	-168.2	-0.9	110.7	F20 Q52	F20-R54 VanDerWaalsContact CD1-O 3.29Å; F20-R54 WeakPolarHBondContact CD1-O 2.92Å; F20-R54 HydrophobicContact CE1-CB 4.34Å; Q52-R54 PolarHBondContact O-N 2.81Å
55	M	90	Very high	86.6	Confident	23 Å²	23	92 Å²	92	11%	0.113	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-97.4	148.1	172.8	-59.8	-173.5	58.4	0	0	111.3	W35 K37 V45 R48 K57 Y60	W35-M55 HydrophobicContact CH2-CB 3.95Å; W35-M55 HydrophobicContact CH2-CE 4.2Å; W35-M55 HydrophobicContact CH2-CG 3.9Å; W35-M55 HydrophobicContact CZ2-CE 4.29Å; K37-M55 HydrophobicContact CG-CE 4.06Å; V45-M55 HydrophobicContact CG1-CG 4.1Å; V45-M55 VanDerWaalsContact O-SD 3.37Å; R48-M55 HydrophobicContact CG-SD 4.39Å; M55-K57 PolarHBondContact O-N 3.44Å; M55-Y60 VanDerWaalsContact O-CE2 3.25Å; M55-Y60 WeakPolarHBondContact O-CE2 3.49Å
56	P	89.1	Confident	86.1	Confident	54 Å²	54	92.2 Å²	92.2	35%	0.351	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-54.5	126.1	166	-21.9	33.3	0	0	0	110.8	F20 W35	F20-P56 HydrophobicContact CB-CG 4.22Å; F20-P56 HydrophobicContact CD1-CG 3.85Å; F20-P56 HydrophobicContact CD2-CG 3.81Å; F20-P56 HydrophobicContact CE1-CG 4.14Å; F20-P56 HydrophobicContact CE2-CB 4.36Å; F20-P56 HydrophobicContact CE2-CG 4.1Å; F20-P56 HydrophobicContact CG-CG 3.68Å; F20-P56 HydrophobicContact CZ-CB 4.41Å; F20-P56 HydrophobicContact CZ-CG 4.27Å; W35-P56 HydrophobicContact CD2-CG 3.96Å; W35-P56 HydrophobicContact CG-CG 4.44Å; W35-P56 HydrophobicContact CH2-CG 4.32Å; W35-P56 HydrophobicContact CZ2-CG 3.75Å
57	K	86.8	Confident	85.4	Confident	118 Å²	118	92.3 Å²	92.3	51%	0.513	46%	0.456	S	S	.	.			trans	-142.9	167.4	172.2	66.3	-179.3	179	175.1	0	109.1	M55 G59 Y60	M55-K57 PolarHBondContact O-N 3.44Å; K57-G59 PolarHBondContact O-N 2.94Å; K57-G59 VanDerWaalsContact O-N 3.14Å; K57-Y60 HydrophobicContact CD-CE2 4.25Å; K57-Y60 HydrophobicContact CG-CD2 3.84Å; K57-Y60 HydrophobicContact CG-CE2 3.58Å; K57-Y60 PolarHBondContact O-N 2.82Å
58	I	83.2	Confident	84.8	Confident	178 Å²	178	92.2 Å²	92.2	91%	0.913	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	122	172.1	-59.9	173.8	0	0	0	108
59	G	83.3	Confident	84.5	Confident	46 Å²	46	85.3 Å²	85.3	47%	0.474	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	129.6	-31.8	-177.2	0	0	0	0	0	114.8	K15 K57 G61	K15-G59 WeakPolarHBondContact CD-O 3.28Å; K57-G59 PolarHBondContact O-N 2.94Å; K57-G59 VanDerWaalsContact O-N 3.14Å; G59-G61 PolarHBondContact O-N 3.41Å
60	Y	85.7	Confident	84.1	Confident	52 Å²	52	84.6 Å²	84.6	20%	0.204	44%	0.436	C	S	.	.			trans	-85.1	3.2	-175.4	-66.2	-57.2	0	0	0	115.9	H16 F20 M55 K57	H16-Y60 HydrophobicContact CB-CD1 3.74Å; H16-Y60 HydrophobicContact CB-CG 4.29Å; H16-Y60 AromaticContact CD2-CD1 3.48Å; H16-Y60 VanDerWaalsContact CD2-CD1 3.48Å; H16-Y60 WeakPolarHBondContact CD2-CD1 3.48Å; H16-Y60 AromaticContact CD2-CE1 3.52Å; H16-Y60 AromaticContact CG-CD1 3.8Å; F20-Y60 HydrophobicContact CE1-CD2 4.15Å; F20-Y60 HydrophobicContact CE1-CE2 4.26Å; F20-Y60 HydrophobicContact CZ-CD1 4.38Å; F20-Y60 AromaticContact CZ-CD2 3.57Å; F20-Y60 HydrophobicContact CZ-CD2 3.57Å; F20-Y60 HydrophobicContact CZ-CE2 4.12Å; F20-Y60 AromaticContact CZ-CG 3.72Å; F20-Y60 HydrophobicContact CZ-CG 3.72Å; M55-Y60 VanDerWaalsContact O-CE2 3.25Å; M55-Y60 WeakPolarHBondContact O-CE2 3.49Å; K57-Y60 HydrophobicContact CD-CE2 4.25Å; K57-Y60 HydrophobicContact CG-CD2 3.84Å; K57-Y60 HydrophobicContact CG-CE2 3.58Å; K57-Y60 PolarHBondContact O-N 2.82Å
61	G	79.7	Confident	83.6	Confident	37 Å²	37	80.5 Å²	80.5	38%	0.381	43%	0.432	S	S	.	.	S	Bend	trans	-70.2	-174.7	-179.2	0	0	0	0	0	114.4	K15 G59	K15-G61 WeakPolarHBondContact CB-O 3.45Å; K15-G61 WeakPolarHBondContact CD-O 3.37Å; K15-G61 WeakPolarHBondContact CG-O 2.9Å; K15-G61 PolarHBondContact N-O 3.09Å; G59-G61 PolarHBondContact O-N 3.41Å
62	S	82.1	Confident	83.3	Confident	16 Å²	16	81.2 Å²	81.2	11%	0.112	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-61.7	155.7	168.2	-58.9	0	0	0	0	111.6	K14	K14-S62 PolarHBondContact NZ-OG 2.9Å
63	A	81.9	Confident	82.6	Confident	25 Å²	25	78.7 Å²	78.7	21%	0.207	41%	0.41	C	S	.	.			trans	-52.3	146.7	169.3	0	0	0	0	0	110.7	V13 A65 T66 R67	V13-A63 HydrophobicContact CB-CB 4.26Å; V13-A63 PolarHBondContact O-N 3.1Å; A63-A65 PolarHBondContact O-N 2.87Å; A63-T66 PolarHBondContact O-N 2.92Å; A63-T66 VanDerWaalsContact O-N 3.09Å; A63-T66 PolarHBondContact O-OG1 2.79Å; A63-R67 PolarHBondContact O-N 2.93Å
64	R	78.8	Confident	82.3	Confident	207 Å²	207	78.2 Å²	78.2	78%	0.781	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.4	-174.4	-174.3	-178.9	-179	176.7	4.8	112.1	T66	R64-T66 PolarHBondContact O-N 2.96Å
65	A	75.8	Confident	81.7	Confident	62 Å²	62	75.5 Å²	75.5	51%	0.512	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-37.3	179.6	0	0	0	0	0	113.2	A63 R75	A63-A65 PolarHBondContact O-N 2.87Å; A65-R75 PolarHBondContact O-NH2 3.22Å
66	T	80.3	Confident	81	Confident	7 Å²	7	82.7 Å²	82.7	4%	0.043	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	0.3	-172.9	56.9	0	0	0	0	113.3	R11 V13 A63 R64 H68 V69	R11-T66 WeakPolarHBondContact O-CG2 3.37Å; V13-T66 PolarHBondContact O-OG1 2.9Å; A63-T66 PolarHBondContact O-N 2.92Å; A63-T66 VanDerWaalsContact O-N 3.09Å; A63-T66 PolarHBondContact O-OG1 2.79Å; R64-T66 PolarHBondContact O-N 2.96Å; T66-H68 PolarHBondContact O-N 3.05Å; T66-V69 WeakPolarHBondContact O-CB 3.14Å; T66-V69 PolarHBondContact O-N 3.18Å; T66-V69 VanDerWaalsContact O-N 3.08Å
67	R	77.3	Confident	80.1	Confident	113 Å²	113	87.4 Å²	87.4	43%	0.426	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	125.4	179.1	-165.2	-174.5	-77.4	178.9	-8.8	109.6	A63 V69 R75	A63-R67 PolarHBondContact O-N 2.93Å; R67-V69 VanDerWaalsContact C-N 3.31Å; R67-V69 PolarHBondContact O-N 3.36Å; R67-R75 PolarHBondContact O-NH1 2.77Å
68	H	79.8	Confident	79.3	Confident	136 Å²	136	87.8 Å²	87.8	63%	0.63	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	10.5	-176.5	-43.6	-72.2	0	0	0	116.6	T66 R75	T66-H68 PolarHBondContact O-N 3.05Å; H68-R75 WeakPolarHBondContact O-CA 3.46Å
69	V	82.4	Confident	77.9	Confident	16 Å²	16	83 Å²	83	10%	0.097	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-81.8	130.1	169.6	-177.6	0	0	0	0	108.6	I12 T66 R67 F74 R75	I12-V69 WeakPolarHBondContact CD1-O 3.48Å; T66-V69 WeakPolarHBondContact O-CB 3.14Å; T66-V69 PolarHBondContact O-N 3.18Å; T66-V69 VanDerWaalsContact O-N 3.08Å; R67-V69 VanDerWaalsContact C-N 3.31Å; R67-V69 PolarHBondContact O-N 3.36Å; V69-F74 CarbonylContact C-O 3.49Å; V69-F74 WeakPolarHBondContact CA-O 3.46Å; V69-R75 HydrophobicContact CG2-CG 4.03Å
70	L	82.5	Confident	77	Confident	65 Å²	65	89.9 Å²	89.9	34%	0.34	44%	0.441	S	S	.	.			trans	-78.1	160.3	174.8	-64.1	176.7	0	0	0	110.4	N72 G73 F74 K76	L70-N72 WeakPolarHBondContact CB-OD1 3.33Å; L70-N72 PolarHBondContact O-N 2.58Å; L70-N72 VanDerWaalsContact O-N 3.12Å; L70-G73 PolarHBondContact O-N 2.91Å; L70-F74 WeakPolarHBondContact CB-O 3.41Å; L70-F74 PolarHBondContact N-O 3.48Å; L70-K76 HydrophobicContact CD1-CB 4.14Å; L70-K76 HydrophobicContact CD2-CB 4.29Å; L70-K76 HydrophobicContact CG-CB 4.35Å
71	P	81	Confident	75.5	Confident	131 Å²	131	91.8 Å²	91.8	85%	0.851	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.2	177.4	-26.8	35.8	0	0	0	114.4	G73	P71-G73 PolarHBondContact O-N 2.94Å
72	N	81.8	Confident	74.3	Confident	97 Å²	97	95.5 Å²	95.5	52%	0.519	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	1	175.3	67.7	4.1	0	0	0	114.3	L70 F74	L70-N72 WeakPolarHBondContact CB-OD1 3.33Å; L70-N72 PolarHBondContact O-N 2.58Å; L70-N72 VanDerWaalsContact O-N 3.12Å; N72-F74 VanDerWaalsContact C-N 3.34Å; N72-F74 HydrophobicContact CB-CD2 4.3Å; N72-F74 PolarHBondContact O-N 3.29Å; N72-F74 PolarHBondContact OD1-N 2.88Å
73	G	77	Confident	72.5	Confident	18 Å²	18	104.4 Å²	104.4	19%	0.186	50%	0.501	C	S	.	.	S	Bend	trans	86.4	-7.5	179.1	0	0	0	0	0	115.4	L70 P71	L70-G73 PolarHBondContact O-N 2.91Å; P71-G73 PolarHBondContact O-N 2.94Å
74	F	80.8	Confident	70.8	Confident	73 Å²	73	103.8 Å²	103.8	32%	0.32	50%	0.495	S	S	.	.			trans	-87.6	166.9	176.6	-65	-79.1	0	0	0	112.1	V4 P6 V69 L70 N72	V4-F74 HydrophobicContact CB-CZ 4.35Å; V4-F74 HydrophobicContact CG1-CE1 4.01Å; V4-F74 HydrophobicContact CG1-CZ 3.93Å; V4-F74 WeakPolarHBondContact O-CZ 3.44Å; P6-F74 HydrophobicContact CB-CE1 4.2Å; P6-F74 HydrophobicContact CB-CZ 4.18Å; P6-F74 HydrophobicContact CG-CE2 4.4Å; P6-F74 HydrophobicContact CG-CZ 4.4Å; V69-F74 CarbonylContact C-O 3.49Å; V69-F74 WeakPolarHBondContact CA-O 3.46Å; L70-F74 WeakPolarHBondContact CB-O 3.41Å; L70-F74 PolarHBondContact N-O 3.48Å; N72-F74 VanDerWaalsContact C-N 3.34Å; N72-F74 HydrophobicContact CB-CD2 4.3Å; N72-F74 PolarHBondContact O-N 3.29Å; N72-F74 PolarHBondContact OD1-N 2.88Å
75	R	77.3	Confident	69	Low	112 Å²	112	101.2 Å²	101.2	42%	0.423	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-105	139.4	170.8	-70.3	173	176.8	-91.2	-9.1	108.6	A65 R67 H68 V69 F77	A65-R75 PolarHBondContact O-NH2 3.22Å; R67-R75 PolarHBondContact O-NH1 2.77Å; H68-R75 WeakPolarHBondContact O-CA 3.46Å; V69-R75 HydrophobicContact CG2-CG 4.03Å; R75-F77 HydrophobicContact CB-CD1 4.13Å; R75-F77 HydrophobicContact CB-CE1 3.96Å; R75-F77 WeakPolarHBondContact O-CD1 3.46Å; R75-F77 WeakPolarHBondContact O-CE1 3.37Å
76	K	75.4	Confident	67.7	Low	173 Å²	173	105.8 Å²	105.8	75%	0.752	50%	0.499	S	S	*	.			trans	-83.9	131.3	170.9	-167	173.6	-179.1	175.7	0	109.3	L70	L70-K76 HydrophobicContact CD1-CB 4.14Å; L70-K76 HydrophobicContact CD2-CB 4.29Å; L70-K76 HydrophobicContact CG-CB 4.35Å
77	F	70.1	Confident	66.5	Low	154 Å²	154	108.7 Å²	108.7	68%	0.675	52%	0.524	S	S	*	.			trans	-137	142.7	171.4	22.3	-96	0	0	0	108.7	R75	R75-F77 HydrophobicContact CB-CD1 4.13Å; R75-F77 HydrophobicContact CB-CE1 3.96Å; R75-F77 WeakPolarHBondContact O-CD1 3.46Å; R75-F77 WeakPolarHBondContact O-CE1 3.37Å
78	L	68.4	Low	65.7	Low	126 Å²	126	110.9 Å²	110.9	66%	0.66	54%	0.536	S	S	*	.			trans	-86.2	127.5	179	-175.4	61.8	0	0	0	109.2	Y80	L78-Y80 HydrophobicContact CB-CE2 4.45Å; L78-Y80 HydrophobicContact CD2-CE1 3.68Å; L78-Y80 HydrophobicContact CD2-CE2 3.95Å; L78-Y80 VanDerWaalsContact CD2-OH 3.27Å; L78-Y80 WeakPolarHBondContact CD2-OH 3.36Å; L78-Y80 HydrophobicContact CG-CE1 4.21Å; L78-Y80 HydrophobicContact CG-CE2 4.08Å
79	I	54.8	Low	65.5	Low	78 Å²	78	106.7 Å²	106.7	40%	0.4	52%	0.517	S	S	.	.			trans	-102.8	122	178.5	-63.2	175.5	0	0	0	106.7	N81 F85	I79-N81 VanDerWaalsContact CG2-O 3.26Å; I79-N81 WeakPolarHBondContact CG2-O 3.29Å; I79-F85 HydrophobicContact CD1-CD2 4.39Å
80	Y	63.8	Low	65.5	Low	189 Å²	189	108.8 Å²	108.8	74%	0.741	53%	0.532	S	S	*	.			trans	-99.4	-19.9	-178.8	-68.2	-82.9	0	0	0	113	L78 S84	L78-Y80 HydrophobicContact CB-CE2 4.45Å; L78-Y80 HydrophobicContact CD2-CE1 3.68Å; L78-Y80 HydrophobicContact CD2-CE2 3.95Å; L78-Y80 VanDerWaalsContact CD2-OH 3.27Å; L78-Y80 WeakPolarHBondContact CD2-OH 3.36Å; L78-Y80 HydrophobicContact CG-CE1 4.21Å; L78-Y80 HydrophobicContact CG-CE2 4.08Å; Y80-S84 PolarHBondContact N-OG 3.07Å
81	N	55.2	Low	65.7	Low	92 Å²	92	110.4 Å²	110.4	49%	0.492	55%	0.549	S	S	.	.	S	Bend	trans	-154.8	165.1	176.8	58.1	39.1	0	0	0	110.9	I79 R83 S84	I79-N81 VanDerWaalsContact CG2-O 3.26Å; I79-N81 WeakPolarHBondContact CG2-O 3.29Å; N81-R83 PolarHBondContact O-N 3.4Å; N81-R83 VanDerWaalsContact OD1-CB 3.31Å; N81-R83 WeakPolarHBondContact OD1-CB 3.34Å; N81-R83 PolarHBondContact OD1-N 2.9Å; N81-S84 PolarHBondContact N-OG 2.67Å; N81-S84 VanDerWaalsContact N-OG 3.13Å; N81-S84 WeakPolarHBondContact O-CA 3.07Å; N81-S84 WeakPolarHBondContact O-CB 3.16Å; N81-S84 PolarHBondContact O-N 3.3Å; N81-S84 PolarHBondContact O-OG 2.96Å; N81-S84 PolarHBondContact OD1-N 2.93Å; N81-S84 VanDerWaalsContact OD1-N 3.07Å; N81-S84 PolarHBondContact OD1-OG 3.49Å; N81-S84 VanDerWaalsContact OD1-OG 3.04Å
82	V	53.4	Low	66.2	Low	116 Å²	116	109.1 Å²	109.1	70%	0.703	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-59.5	-27.9	-179.7	-174.5	0	0	0	0	112.1	S84 F85	V82-S84 PolarHBondContact O-N 3.36Å; V82-F85 WeakPolarHBondContact O-CB 3.36Å; V82-F85 PolarHBondContact O-N 2.92Å
83	R	45	Very low	66.6	Low	202 Å²	202	104.6 Å²	104.6	76%	0.762	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.7	170.6	-98.2	-178.9	175.5	167.8	-2.4	113.7	N81 F85	N81-R83 PolarHBondContact O-N 3.4Å; N81-R83 VanDerWaalsContact OD1-CB 3.31Å; N81-R83 WeakPolarHBondContact OD1-CB 3.34Å; N81-R83 PolarHBondContact OD1-N 2.9Å; R83-F85 VanDerWaalsContact C-N 3.28Å
84	S	45.1	Very low	67.4	Low	13 Å²	13	105.8 Å²	105.8	9%	0.091	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-79.4	-7.2	172	7.3	0	0	0	0	114.1	Y80 N81 V82	Y80-S84 PolarHBondContact N-OG 3.07Å; N81-S84 PolarHBondContact N-OG 2.67Å; N81-S84 VanDerWaalsContact N-OG 3.13Å; N81-S84 WeakPolarHBondContact O-CA 3.07Å; N81-S84 WeakPolarHBondContact O-CB 3.16Å; N81-S84 PolarHBondContact O-N 3.3Å; N81-S84 PolarHBondContact O-OG 2.96Å; N81-S84 PolarHBondContact OD1-N 2.93Å; N81-S84 VanDerWaalsContact OD1-N 3.07Å; N81-S84 PolarHBondContact OD1-OG 3.49Å; N81-S84 VanDerWaalsContact OD1-OG 3.04Å; V82-S84 PolarHBondContact O-N 3.36Å
85	F	42.6	Very low	68	Low	153 Å²	153	110.6 Å²	110.6	67%	0.671	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-31.9	178.9	-163.2	-100.5	0	0	0	112.1	I79 V82 R83 A87	I79-F85 HydrophobicContact CD1-CD2 4.39Å; V82-F85 WeakPolarHBondContact O-CB 3.36Å; V82-F85 PolarHBondContact O-N 2.92Å; R83-F85 VanDerWaalsContact C-N 3.28Å; F85-A87 PolarHBondContact O-N 3.41Å
86	F	48.6	Very low	69	Low	158 Å²	158	111.5 Å²	111.5	69%	0.693	53%	0.528	S	S	*	.	S	Bend	trans	-85.1	110.7	175.2	-63.2	-76.8	0	0	0	110	K88	F86-K88 PolarHBondContact O-N 3.46Å
87	A	53.6	Low	69.9	Low	68 Å²	68	103.5 Å²	103.5	56%	0.562	49%	0.493	S	S	*	.			trans	14.1	74.8	167.8	0	0	0	0	0	115.5	F85 M89 C209	F85-A87 PolarHBondContact O-N 3.41Å; A87-M89 PolarHBondContact O-N 3.17Å; A87-C209 PolarHBondContact O-SG 3.07Å
88	K	61.1	Low	71	Confident	158 Å²	158	103.5 Å²	103.5	69%	0.687	49%	0.489	S	S	*	.			trans	-64.1	115.3	171.1	-107.7	-179.2	-179.2	171.4	0	109.1	F86 S90	F86-K88 PolarHBondContact O-N 3.46Å; K88-S90 PolarHBondContact O-N 2.98Å
89	M	74.8	Confident	72.3	Confident	49 Å²	49	100.1 Å²	100.1	24%	0.241	48%	0.475	C	S	.	.			trans	-46.2	141.7	168.5	-75.9	-173.9	-88.2	0	0	110.4	A87 T93 I97 D205 C209	A87-M89 PolarHBondContact O-N 3.17Å; M89-T93 HydrophobicContact CB-CG2 4.05Å; M89-T93 HydrophobicContact CG-CG2 3.97Å; M89-T93 HydrophobicContact SD-CG2 3.71Å; M89-I97 HydrophobicContact SD-CG1 4.17Å; M89-D205 HydrophobicContact CG-CB 4.23Å; M89-C209 HydrophobicContact CE-CB 3.89Å; M89-C209 HydrophobicContact CG-CB 4.13Å; M89-C209 HydrophobicContact SD-CB 4.48Å
90	S	83.6	Confident	74.3	Confident	59 Å²	59	96.6 Å²	96.6	41%	0.413	46%	0.458	S	S	.	.			trans	-56.9	147.8	174.5	81.2	0	0	0	0	110.4	K88 K92 T93 D94	K88-S90 PolarHBondContact O-N 2.98Å; S90-K92 PolarHBondContact O-N 3.46Å; S90-T93 WeakPolarHBondContact O-CA 3.42Å; S90-T93 WeakPolarHBondContact O-CB 3.39Å; S90-T93 PolarHBondContact O-N 3.1Å; S90-T93 WeakPolarHBondContact OG-CB 3.37Å; S90-T93 PolarHBondContact OG-N 3.44Å; S90-T93 PolarHBondContact OG-OG1 3.28Å; S90-D94 PolarHBondContact O-N 3Å
91	S	85.5	Confident	75.8	Confident	99 Å²	99	89 Å²	89	69%	0.692	43%	0.429	S	S	*	.	H	α-helix	trans	-55.6	-25	177.7	62	0	0	0	0	113.4	R95	S91-R95 WeakPolarHBondContact O-CB 3.26Å; S91-R95 PolarHBondContact O-N 3.45Å
92	K	91.5	Very high	77.7	Confident	105 Å²	105	92.3 Å²	92.3	46%	0.457	43%	0.434	S	S	.	.	H	α-helix	trans	-74.8	-44.7	172.5	-173.1	-179	-176.4	-172	0	112.1	S90 R96 Y202	S90-K92 PolarHBondContact O-N 3.46Å; K92-R96 VanDerWaalsContact O-CG 3.31Å; K92-R96 WeakPolarHBondContact O-CG 3.13Å; K92-R96 PolarHBondContact O-N 2.96Å; K92-Y202 WeakPolarHBondContact CD-OH 3.23Å; K92-Y202 WeakPolarHBondContact CE-OH 3.42Å; K92-Y202 PolarHBondContact NZ-OH 3.34Å
93	T	92.2	Very high	79.7	Confident	1 Å²	1	91.3 Å²	91.3	1%	0.006	42%	0.421	C	S	.	.	H	α-helix	trans	-59.4	-54.5	176.4	-59.2	0	0	0	0	109.2	M89 S90 R95 R96 I97 Y202 D205	M89-T93 HydrophobicContact CB-CG2 4.05Å; M89-T93 HydrophobicContact CG-CG2 3.97Å; M89-T93 HydrophobicContact SD-CG2 3.71Å; S90-T93 WeakPolarHBondContact O-CA 3.42Å; S90-T93 WeakPolarHBondContact O-CB 3.39Å; S90-T93 PolarHBondContact O-N 3.1Å; S90-T93 WeakPolarHBondContact OG-CB 3.37Å; S90-T93 PolarHBondContact OG-N 3.44Å; S90-T93 PolarHBondContact OG-OG1 3.28Å; T93-R95 VanDerWaalsContact C-N 3.35Å; T93-R95 PolarHBondContact O-N 3.23Å; T93-R96 WeakPolarHBondContact O-CA 3.34Å; T93-R96 WeakPolarHBondContact O-CB 3.45Å; T93-R96 PolarHBondContact O-N 2.83Å; T93-I97 HydrophobicContact CG2-CG1 4.22Å; T93-I97 WeakPolarHBondContact O-CG1 3.33Å; T93-I97 PolarHBondContact O-N 3.04Å; T93-Y202 HydrophobicContact CG2-CD1 3.97Å; T93-Y202 WeakPolarHBondContact OG1-CD1 3.25Å; T93-D205 HydrophobicContact CG2-CB 3.63Å; T93-D205 WeakPolarHBondContact CG2-OD2 3.16Å; T93-D205 PolarHBondContact OG1-OD2 3.49Å
94	D	91.9	Very high	82.1	Confident	43 Å²	43	83 Å²	83	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-53.3	-47.7	179.4	166.2	81.6	0	0	0	112.3	S90 R96 I97 R98	S90-D94 PolarHBondContact O-N 3Å; D94-R96 VanDerWaalsContact C-N 3.29Å; D94-R96 PolarHBondContact O-N 3.13Å; D94-I97 PolarHBondContact O-N 2.77Å; D94-R98 VanDerWaalsContact CG-NE 3.29Å; D94-R98 WeakPolarHBondContact O-CG 2.95Å; D94-R98 PolarHBondContact O-N 3.11Å; D94-R98 IonicContact OD1-CZ 3.78Å; D94-R98 VanDerWaalsContact OD1-CZ 3.27Å; D94-R98 IonicContact OD1-NE 2.76Å; D94-R98 PolarHBondContact OD1-NE 2.95Å; D94-R98 IonicContact OD1-NH2 3.87Å; D94-R98 PolarHBondContact OD1-NH2 3.38Å; D94-R98 IonicContact OD2-CZ 3.3Å; D94-R98 IonicContact OD2-NE 3.72Å; D94-R98 PolarHBondContact OD2-NE 2.52Å; D94-R98 IonicContact OD2-NH1 3.42Å; D94-R98 IonicContact OD2-NH2 2.83Å; D94-R98 PolarHBondContact OD2-NH2 2.95Å
95	R	94.8	Very high	84.3	Confident	175 Å²	175	83.3 Å²	83.3	66%	0.66	39%	0.392	S	S	*	.	H	α-helix	trans	-57.8	-39.8	175.1	-170.7	-170.9	-55.3	-169.2	-1.8	113	S91 T93 S99	S91-R95 WeakPolarHBondContact O-CB 3.26Å; S91-R95 PolarHBondContact O-N 3.45Å; T93-R95 VanDerWaalsContact C-N 3.35Å; T93-R95 PolarHBondContact O-N 3.23Å; R95-S99 WeakPolarHBondContact O-CB 3.39Å; R95-S99 PolarHBondContact O-N 2.73Å; R95-S99 VanDerWaalsContact O-N 3.11Å
96	R	96.8	Very high	86.6	Confident	130 Å²	130	77.2 Å²	77.2	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-70.6	-40.3	179.5	-68	-64.1	179.7	-166.2	0.3	111.4	K92 T93 D94 S99 A100 L198 Y202	K92-R96 VanDerWaalsContact O-CG 3.31Å; K92-R96 WeakPolarHBondContact O-CG 3.13Å; K92-R96 PolarHBondContact O-N 2.96Å; T93-R96 WeakPolarHBondContact O-CA 3.34Å; T93-R96 WeakPolarHBondContact O-CB 3.45Å; T93-R96 PolarHBondContact O-N 2.83Å; D94-R96 VanDerWaalsContact C-N 3.29Å; D94-R96 PolarHBondContact O-N 3.13Å; R96-S99 PolarHBondContact O-N 2.88Å; R96-A100 PolarHBondContact O-N 3.31Å; R96-L198 HydrophobicContact CB-CD2 4.14Å; R96-Y202 HydrophobicContact CB-CD2 4.17Å; R96-Y202 HydrophobicContact CG-CD2 4.14Å; R96-Y202 HydrophobicContact CG-CE2 4.01Å
97	I	95.5	Very high	88.5	Confident	6 Å²	6	74.5 Å²	74.5	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-63.3	-50.1	175.3	-62	-51.9	0	0	0	110.9	M89 T93 D94 S99 A100 K101 L198 Y206	M89-I97 HydrophobicContact SD-CG1 4.17Å; T93-I97 HydrophobicContact CG2-CG1 4.22Å; T93-I97 WeakPolarHBondContact O-CG1 3.33Å; T93-I97 PolarHBondContact O-N 3.04Å; D94-I97 PolarHBondContact O-N 2.77Å; I97-S99 VanDerWaalsContact C-N 3.26Å; I97-S99 PolarHBondContact O-N 2.85Å; I97-A100 PolarHBondContact O-N 2.98Å; I97-K101 HydrophobicContact CG2-CD 4.16Å; I97-K101 HydrophobicContact CG2-CG 4.29Å; I97-K101 WeakPolarHBondContact O-CG 3.35Å; I97-K101 PolarHBondContact O-N 2.95Å; I97-L198 HydrophobicContact CD1-CD1 3.52Å; I97-L198 HydrophobicContact CD1-CD2 4.14Å; I97-L198 HydrophobicContact CD1-CG 4.47Å; I97-Y206 HydrophobicContact CD1-CD2 4.41Å; I97-Y206 HydrophobicContact CD1-CG 4.12Å; I97-Y206 HydrophobicContact CG1-CD2 4.41Å; I97-Y206 HydrophobicContact CG2-CD2 3.65Å; I97-Y206 HydrophobicContact CG2-CE2 4.06Å; I97-Y206 HydrophobicContact CG2-CG 4.41Å
98	R	93.9	Very high	90.2	Very high	154 Å²	154	71.5 Å²	71.5	58%	0.581	33%	0.331	S	S	*	.	H	α-helix	trans	-57.5	-39.9	176.8	-67.7	-178	-159.6	-178.4	3.5	112.5	D94 R102	D94-R98 VanDerWaalsContact CG-NE 3.29Å; D94-R98 WeakPolarHBondContact O-CG 2.95Å; D94-R98 PolarHBondContact O-N 3.11Å; D94-R98 IonicContact OD1-CZ 3.78Å; D94-R98 VanDerWaalsContact OD1-CZ 3.27Å; D94-R98 IonicContact OD1-NE 2.76Å; D94-R98 PolarHBondContact OD1-NE 2.95Å; D94-R98 IonicContact OD1-NH2 3.87Å; D94-R98 PolarHBondContact OD1-NH2 3.38Å; D94-R98 IonicContact OD2-CZ 3.3Å; D94-R98 IonicContact OD2-NE 3.72Å; D94-R98 PolarHBondContact OD2-NE 2.52Å; D94-R98 IonicContact OD2-NH1 3.42Å; D94-R98 IonicContact OD2-NH2 2.83Å; D94-R98 PolarHBondContact OD2-NH2 2.95Å; R98-R102 WeakPolarHBondContact O-CB 3.37Å; R98-R102 PolarHBondContact O-N 3.3Å
99	S	95.3	Very high	91.1	Very high	54 Å²	54	70.9 Å²	70.9	38%	0.378	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-36	175.8	-180	0	0	0	0	112.8	R95 R96 I97 K103	R95-S99 WeakPolarHBondContact O-CB 3.39Å; R95-S99 PolarHBondContact O-N 2.73Å; R95-S99 VanDerWaalsContact O-N 3.11Å; R96-S99 PolarHBondContact O-N 2.88Å; I97-S99 VanDerWaalsContact C-N 3.26Å; I97-S99 PolarHBondContact O-N 2.85Å; S99-K103 WeakPolarHBondContact O-CG 3.49Å
100	A	97	Very high	91.1	Very high	4 Å²	4	75 Å²	75	3%	0.033	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-50.6	175.9	0	0	0	0	0	110.3	R96 I97 R102 K103 V104 V196 L198 L216	R96-A100 PolarHBondContact O-N 3.31Å; I97-A100 PolarHBondContact O-N 2.98Å; A100-R102 PolarHBondContact O-N 3.3Å; A100-K103 WeakPolarHBondContact O-CB 3.29Å; A100-K103 PolarHBondContact O-N 3.17Å; A100-V104 WeakPolarHBondContact O-CG2 3.47Å; A100-V104 PolarHBondContact O-N 2.98Å; A100-V196 HydrophobicContact CB-CG1 3.95Å; A100-L198 HydrophobicContact CB-CD1 3.84Å; A100-L198 HydrophobicContact CB-CD2 3.94Å; A100-L198 HydrophobicContact CB-CG 3.87Å; A100-L216 HydrophobicContact CB-CD1 4.14Å
101	K	95.7	Very high	90.8	Very high	31 Å²	31	78.7 Å²	78.7	14%	0.135	36%	0.357	C	S	.	.	H	α-helix	trans	-48.6	-52.8	175.6	-76.4	-172.2	166.7	-166.3	0	112.9	I97 K103 V104 R105 W113 D212 L216	I97-K101 HydrophobicContact CG2-CD 4.16Å; I97-K101 HydrophobicContact CG2-CG 4.29Å; I97-K101 WeakPolarHBondContact O-CG 3.35Å; I97-K101 PolarHBondContact O-N 2.95Å; K101-K103 PolarHBondContact O-N 3.2Å; K101-K103 VanDerWaalsContact O-N 3.11Å; K101-V104 PolarHBondContact O-N 2.86Å; K101-R105 PolarHBondContact O-N 3.02Å; K101-W113 VanDerWaalsContact CA-CZ2 3.41Å; K101-W113 HydrophobicContact CB-CD2 4.38Å; K101-W113 HydrophobicContact CB-CH2 4.14Å; K101-W113 HydrophobicContact CB-CZ2 3.37Å; K101-W113 HydrophobicContact CD-CD2 3.65Å; K101-W113 HydrophobicContact CD-CE3 4.19Å; K101-W113 HydrophobicContact CD-CG 3.91Å; K101-W113 HydrophobicContact CD-CZ2 4.16Å; K101-W113 HydrophobicContact CG-CD2 3.95Å; K101-W113 HydrophobicContact CG-CE3 4.27Å; K101-W113 HydrophobicContact CG-CH2 3.88Å; K101-W113 HydrophobicContact CG-CZ2 3.54Å; K101-W113 HydrophobicContact CG-CZ3 4.24Å; K101-W113 WeakPolarHBondContact O-CZ2 3.38Å; K101-D212 WeakPolarHBondContact CE-OD2 3.28Å; K101-D212 IonicContact NZ-OD1 3.85Å; K101-D212 PolarHBondContact NZ-OD1 3.26Å; K101-D212 IonicContact NZ-OD2 3.17Å; K101-D212 PolarHBondContact NZ-OD2 3.13Å; K101-L216 HydrophobicContact CG-CD1 3.94Å; K101-L216 HydrophobicContact CG-CG 4.26Å
102	R	94	Very high	90.7	Very high	160 Å²	160	77.9 Å²	77.9	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-56	-31.1	179.3	-176.6	-177.4	-58.9	-172.3	-0.9	114.1	R98 A100 R109	R98-R102 WeakPolarHBondContact O-CB 3.37Å; R98-R102 PolarHBondContact O-N 3.3Å; A100-R102 PolarHBondContact O-N 3.3Å; R102-R109 HydrophobicContact CG-CG 3.99Å; R102-R109 VanDerWaalsContact CG-NE 3.3Å; R102-R109 PolarHBondContact O-NE 3.04Å; R102-R109 PolarHBondContact O-NH2 3.32Å
103	K	95.3	Very high	90.8	Very high	96 Å²	96	74.1 Å²	74.1	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-85.7	-43.4	-179.3	-70.9	-177.4	175.2	-152.6	0	111.5	S99 A100 K101 D190 V196	S99-K103 WeakPolarHBondContact O-CG 3.49Å; A100-K103 WeakPolarHBondContact O-CB 3.29Å; A100-K103 PolarHBondContact O-N 3.17Å; K101-K103 PolarHBondContact O-N 3.2Å; K101-K103 VanDerWaalsContact O-N 3.11Å; K103-D190 HydrophobicContact CB-CB 4.18Å; K103-D190 WeakPolarHBondContact O-CA 3.46Å; K103-V196 HydrophobicContact CB-CG1 4.26Å; K103-V196 HydrophobicContact CB-CG2 3.58Å; K103-V196 HydrophobicContact CD-CG1 4.45Å; K103-V196 HydrophobicContact CD-CG2 4.24Å
104	V	94.8	Very high	90.8	Very high	28 Å²	28	77.4 Å²	77.4	17%	0.17	35%	0.351	C	S	.	.	H	α-helix	trans	-71.8	-39.4	-175.7	178.9	0	0	0	0	112.6	A100 K101 E189 V196 L216	A100-V104 WeakPolarHBondContact O-CG2 3.47Å; A100-V104 PolarHBondContact O-N 2.98Å; K101-V104 PolarHBondContact O-N 2.86Å; V104-E189 WeakPolarHBondContact CA-O 3.46Å; V104-V196 HydrophobicContact CG2-CB 3.68Å; V104-V196 HydrophobicContact CG2-CG1 3.77Å; V104-V196 HydrophobicContact CG2-CG2 3.87Å; V104-L216 HydrophobicContact CB-CD2 3.95Å; V104-L216 HydrophobicContact CG1-CD2 4.01Å; V104-L216 HydrophobicContact CG2-CD2 4Å
105	R	92.7	Very high	90.8	Very high	19 Å²	19	78.5 Å²	78.5	7%	0.072	36%	0.36	C	S	.	.			trans	-130.8	73.8	179.6	-54.5	-72.6	-56.5	-84.4	-11.8	109.8	K101 E107 L108 W113 V313 E317	K101-R105 PolarHBondContact O-N 3.02Å; R105-E107 WeakPolarHBondContact CA-OE2 3.15Å; R105-E107 IonicContact CZ-OE1 3.91Å; R105-E107 IonicContact NE-OE1 2.89Å; R105-E107 PolarHBondContact NE-OE1 2.96Å; R105-E107 IonicContact NH2-OE1 3.88Å; R105-E107 PolarHBondContact NH2-OE1 3.38Å; R105-E107 PolarHBondContact O-N 2.87Å; R105-L108 HydrophobicContact CB-CB 4.12Å; R105-L108 HydrophobicContact CB-CD1 3.74Å; R105-L108 HydrophobicContact CB-CG 3.8Å; R105-L108 HydrophobicContact CG-CD1 4.08Å; R105-L108 PolarHBondContact O-N 3.36Å; R105-W113 HydrophobicContact CB-CH2 3.9Å; R105-W113 HydrophobicContact CB-CZ2 3.62Å; R105-W113 HydrophobicContact CG-CH2 3.42Å; R105-W113 VanDerWaalsContact CG-CH2 3.42Å; R105-W113 HydrophobicContact CG-CZ2 3.73Å; R105-W113 HydrophobicContact CG-CZ3 4.23Å; R105-V313 PolarHBondContact NH2-O 2.98Å; R105-V313 VanDerWaalsContact NH2-O 3.12Å; R105-E317 IonicContact CZ-OE1 3.53Å; R105-E317 IonicContact NH1-OE1 3.27Å; R105-E317 PolarHBondContact NH1-OE1 3.05Å; R105-E317 IonicContact NH1-OE2 2.99Å; R105-E317 PolarHBondContact NH1-OE2 3.21Å
106	P	90.6	Very high	90.7	Very high	25 Å²	25	73.1 Å²	73.1	16%	0.162	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-64.5	-24.4	-177.4	20.8	-24.6	0	0	0	113.5	L108 R109 D191	P106-L108 PolarHBondContact O-N 3.03Å; P106-R109 VanDerWaalsContact O-CB 3.25Å; P106-R109 WeakPolarHBondContact O-CB 3.38Å; P106-R109 VanDerWaalsContact O-CD 3.28Å; P106-R109 WeakPolarHBondContact O-CD 3.37Å; P106-R109 WeakPolarHBondContact O-CG 3.39Å; P106-R109 PolarHBondContact O-N 3.45Å; P106-R109 VanDerWaalsContact O-N 3.17Å; P106-D191 VanDerWaalsContact CG-CG 3.49Å; P106-D191 WeakPolarHBondContact CG-OD1 3.16Å; P106-D191 WeakPolarHBondContact CG-OD2 3.44Å
107	E	88.3	Confident	90.6	Very high	100 Å²	100	73.2 Å²	73.2	47%	0.467	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-66.5	-20.7	171.1	77.4	-78.1	-163.5	0	0	113.1	R105 R109	R105-E107 WeakPolarHBondContact CA-OE2 3.15Å; R105-E107 IonicContact CZ-OE1 3.91Å; R105-E107 IonicContact NE-OE1 2.89Å; R105-E107 PolarHBondContact NE-OE1 2.96Å; R105-E107 IonicContact NH2-OE1 3.88Å; R105-E107 PolarHBondContact NH2-OE1 3.38Å; R105-E107 PolarHBondContact O-N 2.87Å; E107-R109 VanDerWaalsContact C-N 3.3Å; E107-R109 PolarHBondContact O-N 3.44Å
108	L	89.7	Confident	90.5	Very high	6 Å²	6	73 Å²	73	3%	0.031	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-92	21.6	172.7	-54	-175.6	0	0	0	112.5	R105 P106 R111 W113 V313	R105-L108 HydrophobicContact CB-CB 4.12Å; R105-L108 HydrophobicContact CB-CD1 3.74Å; R105-L108 HydrophobicContact CB-CG 3.8Å; R105-L108 HydrophobicContact CG-CD1 4.08Å; R105-L108 PolarHBondContact O-N 3.36Å; P106-L108 PolarHBondContact O-N 3.03Å; L108-R111 HydrophobicContact CD2-CB 4.44Å; L108-W113 HydrophobicContact CD1-CD2 4.16Å; L108-W113 HydrophobicContact CD1-CG 4.47Å; L108-W113 HydrophobicContact CD1-CZ2 4.34Å; L108-V313 HydrophobicContact CD2-CG1 3.25Å
109	R	79.5	Confident	90.4	Very high	145 Å²	145	67.5 Å²	67.5	55%	0.547	33%	0.328	S	S	.	.	S	Bend	trans	-73.4	-37.9	175.9	-78.8	173.1	-173.2	-176.2	9.7	112.8	R102 P106 E107	R102-R109 HydrophobicContact CG-CG 3.99Å; R102-R109 VanDerWaalsContact CG-NE 3.3Å; R102-R109 PolarHBondContact O-NE 3.04Å; R102-R109 PolarHBondContact O-NH2 3.32Å; P106-R109 VanDerWaalsContact O-CB 3.25Å; P106-R109 WeakPolarHBondContact O-CB 3.38Å; P106-R109 VanDerWaalsContact O-CD 3.28Å; P106-R109 WeakPolarHBondContact O-CD 3.37Å; P106-R109 WeakPolarHBondContact O-CG 3.39Å; P106-R109 PolarHBondContact O-N 3.45Å; P106-R109 VanDerWaalsContact O-N 3.17Å; E107-R109 VanDerWaalsContact C-N 3.3Å; E107-R109 PolarHBondContact O-N 3.44Å
110	T	75	Confident	90.3	Very high	134 Å²	134	69.1 Å²	69.1	82%	0.822	33%	0.332	S	S	*	.	S	Bend	trans	-92	-17.7	179.9	52.5	0	0	0	0	112.3
111	R	76	Confident	90	Very high	138 Å²	138	75.3 Å²	75.3	52%	0.521	36%	0.36	S	S	.	.	S	Bend	trans	-102	157.4	177.2	-65.2	-177	176.6	177.8	-2.9	110.2	L108 V115	L108-R111 HydrophobicContact CD2-CB 4.44Å; R111-V115 HydrophobicContact CB-CG2 3.94Å
112	C	84.8	Confident	89.9	Confident	82 Å²	82	76 Å²	76	55%	0.554	36%	0.363	S	S	*	.			trans	-72.8	168.2	169.2	-61.4	0	0	0	0	110.3	D114 V115	C112-D114 VanDerWaalsContact C-N 3.31Å; C112-D114 VanDerWaalsContact CB-OD1 3.22Å; C112-D114 WeakPolarHBondContact CB-OD1 3.44Å; C112-V115 HydrophobicContact CB-CG2 4.23Å; C112-V115 WeakPolarHBondContact O-CG2 3.34Å
113	W	93.3	Very high	89.9	Confident	25 Å²	25	72.6 Å²	72.6	10%	0.095	36%	0.357	C	S	.	.	S	Bend	trans	-86.8	-8.3	174.9	-85.4	58.5	0	0	0	112.7	K101 R105 L108 D212 D213 L216	K101-W113 VanDerWaalsContact CA-CZ2 3.41Å; K101-W113 HydrophobicContact CB-CD2 4.38Å; K101-W113 HydrophobicContact CB-CH2 4.14Å; K101-W113 HydrophobicContact CB-CZ2 3.37Å; K101-W113 HydrophobicContact CD-CD2 3.65Å; K101-W113 HydrophobicContact CD-CE3 4.19Å; K101-W113 HydrophobicContact CD-CG 3.91Å; K101-W113 HydrophobicContact CD-CZ2 4.16Å; K101-W113 HydrophobicContact CG-CD2 3.95Å; K101-W113 HydrophobicContact CG-CE3 4.27Å; K101-W113 HydrophobicContact CG-CH2 3.88Å; K101-W113 HydrophobicContact CG-CZ2 3.54Å; K101-W113 HydrophobicContact CG-CZ3 4.24Å; K101-W113 WeakPolarHBondContact O-CZ2 3.38Å; R105-W113 HydrophobicContact CB-CH2 3.9Å; R105-W113 HydrophobicContact CB-CZ2 3.62Å; R105-W113 HydrophobicContact CG-CH2 3.42Å; R105-W113 VanDerWaalsContact CG-CH2 3.42Å; R105-W113 HydrophobicContact CG-CZ2 3.73Å; R105-W113 HydrophobicContact CG-CZ3 4.23Å; L108-W113 HydrophobicContact CD1-CD2 4.16Å; L108-W113 HydrophobicContact CD1-CG 4.47Å; L108-W113 HydrophobicContact CD1-CZ2 4.34Å; W113-D212 HydrophobicContact CB-CB 4.16Å; W113-D212 WeakPolarHBondContact CB-OD1 3.29Å; W113-D212 HydrophobicContact CE3-CB 4.22Å; W113-D213 PolarHBondContact O-N 3.47Å; W113-L216 HydrophobicContact CH2-CD2 3.6Å; W113-L216 HydrophobicContact CH2-CG 4.19Å; W113-L216 HydrophobicContact CZ3-CD2 3.96Å; W113-L216 HydrophobicContact CZ3-CG 4.13Å
114	D	92.8	Very high	89.8	Confident	70 Å²	70	69.2 Å²	69.2	37%	0.374	34%	0.344	S	S	.	.			trans	-124.6	32.9	-175.6	59	-30.4	0	0	0	111	C112 L116 R117 K211 D213	C112-D114 VanDerWaalsContact C-N 3.31Å; C112-D114 VanDerWaalsContact CB-OD1 3.22Å; C112-D114 WeakPolarHBondContact CB-OD1 3.44Å; D114-L116 PolarHBondContact O-N 2.83Å; D114-R117 WeakPolarHBondContact O-CG 3.38Å; D114-R117 PolarHBondContact O-N 2.98Å; D114-K211 WeakPolarHBondContact CB-O 3.36Å; D114-D213 VanDerWaalsContact C-OD2 3.29Å; D114-D213 WeakPolarHBondContact CA-OD2 3.34Å
115	V	92	Very high	89.4	Confident	67 Å²	67	75.9 Å²	75.9	41%	0.406	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-40.2	-176.8	-174.5	0	0	0	0	111.6	R111 C112 D213	R111-V115 HydrophobicContact CB-CG2 3.94Å; C112-V115 HydrophobicContact CB-CG2 4.23Å; C112-V115 WeakPolarHBondContact O-CG2 3.34Å; V115-D213 PolarHBondContact N-OD2 3.13Å
116	L	92.1	Very high	89.2	Confident	61 Å²	61	77.7 Å²	77.7	32%	0.319	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-3.2	-178.8	-58.3	-174.5	0	0	0	112.4	D114 L118 Q121 D213	D114-L116 PolarHBondContact O-N 2.83Å; L116-L118 HydrophobicContact CB-CD1 4.34Å; L116-L118 HydrophobicContact CB-CD2 3.79Å; L116-L118 HydrophobicContact CB-CG 3.75Å; L116-L118 HydrophobicContact CD1-CD1 4.34Å; L116-L118 PolarHBondContact O-N 2.94Å; L116-L118 VanDerWaalsContact O-N 3.16Å; L116-Q121 PolarHBondContact O-OE1 3.29Å; L116-D213 PolarHBondContact N-OD2 3.27Å
117	R	93.5	Very high	89.1	Confident	132 Å²	132	82.1 Å²	82.1	50%	0.498	42%	0.415	S	S	.	.			trans	50.9	36.7	-179.1	-57.8	-173.6	61	-166.4	-8.5	113.5	D114 C119 D120 Q121 D213	D114-R117 WeakPolarHBondContact O-CG 3.38Å; D114-R117 PolarHBondContact O-N 2.98Å; R117-C119 PolarHBondContact O-N 3.47Å; R117-C119 VanDerWaalsContact O-N 3.08Å; R117-D120 IonicContact CZ-OD2 2.67Å; R117-D120 IonicContact NE-OD2 2.8Å; R117-D120 IonicContact NH2-OD2 2.75Å; R117-D120 PolarHBondContact NH2-OD2 3.34Å; R117-D120 PolarHBondContact O-N 3.02Å; R117-Q121 HydrophobicContact CB-CG 4.4Å; R117-Q121 PolarHBondContact O-N 3.11Å; R117-D213 PolarHBondContact N-OD1 2.88Å
118	L	93.9	Very high	89.4	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-64.8	-18.5	-175.7	-57.4	-179.1	0	0	0	112.8	L116 D120 F122 D213 I319	L116-L118 HydrophobicContact CB-CD1 4.34Å; L116-L118 HydrophobicContact CB-CD2 3.79Å; L116-L118 HydrophobicContact CB-CG 3.75Å; L116-L118 HydrophobicContact CD1-CD1 4.34Å; L116-L118 PolarHBondContact O-N 2.94Å; L116-L118 VanDerWaalsContact O-N 3.16Å; L118-D120 PolarHBondContact O-N 3.45Å; L118-F122 HydrophobicContact CB-CB 3.9Å; L118-F122 HydrophobicContact CD2-CB 4.19Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 PolarHBondContact O-N 2.99Å; L118-F122 VanDerWaalsContact O-N 3.07Å; L118-D213 HydrophobicContact CB-CB 4.31Å; L118-D213 HydrophobicContact CD1-CB 3.88Å; L118-D213 HydrophobicContact CG-CB 4.08Å; L118-D213 PolarHBondContact N-OD1 3.03Å; L118-I319 HydrophobicContact CB-CD1 3.79Å; L118-I319 HydrophobicContact CD1-CD1 3.53Å; L118-I319 HydrophobicContact CD1-CG1 3.76Å; L118-I319 HydrophobicContact CD1-CG2 3.99Å; L118-I319 HydrophobicContact CG-CD1 4.27Å
119	C	92.8	Very high	89.6	Confident	40 Å²	40	85.4 Å²	85.4	27%	0.27	43%	0.429	S	S	.	.	H	α-helix	trans	-59.9	-32.6	170.3	-172.5	0	0	0	0	113.3	R117 K211 R267	R117-C119 PolarHBondContact O-N 3.47Å; R117-C119 VanDerWaalsContact O-N 3.08Å; C119-K211 HydrophobicContact CB-CB 4.05Å; C119-K211 WeakPolarHBondContact CB-O 3.34Å; C119-R267 PolarHBondContact SG-NH1 3.06Å; C119-R267 VanDerWaalsContact SG-NH1 3.42Å
120	D	92	Very high	90.4	Very high	87 Å²	87	80.8 Å²	80.8	47%	0.465	42%	0.415	S	S	.	.	H	α-helix	trans	-103.4	-27.1	-179.7	-53.6	-34.4	0	0	0	111.3	R117 L118 K211	R117-D120 IonicContact CZ-OD2 2.67Å; R117-D120 IonicContact NE-OD2 2.8Å; R117-D120 IonicContact NH2-OD2 2.75Å; R117-D120 PolarHBondContact NH2-OD2 3.34Å; R117-D120 PolarHBondContact O-N 3.02Å; L118-D120 PolarHBondContact O-N 3.45Å; D120-K211 IonicContact OD1-NZ 3.52Å; D120-K211 PolarHBondContact OD1-NZ 3.43Å
121	Q	92.3	Very high	91.5	Very high	134 Å²	134	78 Å²	78	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-102	-26.3	-169.5	-64.5	-175.4	-5.3	0	0	115.3	L116 R117	L116-Q121 PolarHBondContact O-OE1 3.29Å; R117-Q121 HydrophobicContact CB-CG 4.4Å; R117-Q121 PolarHBondContact O-N 3.11Å
122	F	93.4	Very high	92.6	Very high	45 Å²	45	72.2 Å²	72.2	20%	0.197	38%	0.375	C	S	.	.			trans	-95.5	116.1	-174.1	-172.9	-99.9	0	0	0	111	L118 L124 I319 F322 Q323 I362	L118-F122 HydrophobicContact CB-CB 3.9Å; L118-F122 HydrophobicContact CD2-CB 4.19Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 PolarHBondContact O-N 2.99Å; L118-F122 VanDerWaalsContact O-N 3.07Å; F122-L124 HydrophobicContact CD1-CD2 3.95Å; F122-L124 HydrophobicContact CD1-CG 4.11Å; F122-L124 HydrophobicContact CE1-CD2 3.83Å; F122-L124 HydrophobicContact CE1-CG 4.35Å; F122-L124 PolarHBondContact O-N 3.16Å; F122-I319 HydrophobicContact CB-CD1 4.3Å; F122-I319 HydrophobicContact CD1-CD1 3.78Å; F122-I319 HydrophobicContact CD1-CG1 4Å; F122-I319 HydrophobicContact CE1-CD1 4.33Å; F122-I319 HydrophobicContact CE1-CG1 4.12Å; F122-I319 HydrophobicContact CG-CD1 4.04Å; F122-I319 HydrophobicContact CG-CG1 4.24Å; F122-I319 HydrophobicContact CZ-CG1 4.48Å; F122-F322 HydrophobicContact CZ-CB 3.9Å; F122-Q323 HydrophobicContact CD2-CB 4.24Å; F122-Q323 HydrophobicContact CD2-CG 4.42Å; F122-Q323 HydrophobicContact CE2-CB 3.97Å; F122-I362 HydrophobicContact CE1-CD1 4.2Å
123	N	94	Very high	93.2	Very high	90 Å²	90	73.2 Å²	73.2	48%	0.481	37%	0.372	S	S	.	.			trans	-80	99.1	176.4	-175	6.1	0	0	0	111.1	E125 T126	N123-E125 PolarHBondContact O-N 2.7Å; N123-E125 WeakPolarHBondContact OD1-CA 3.34Å; N123-E125 WeakPolarHBondContact OD1-CB 3.48Å; N123-E125 PolarHBondContact OD1-N 2.82Å; N123-T126 PolarHBondContact O-N 2.71Å; N123-T126 PolarHBondContact O-OG1 3.05Å
124	L	91.8	Very high	93.5	Very high	25 Å²	25	76 Å²	76	13%	0.131	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24	175.1	-74.1	166	0	0	0	113.3	F122 T126 A266 R267 I362 L364	F122-L124 HydrophobicContact CD1-CD2 3.95Å; F122-L124 HydrophobicContact CD1-CG 4.11Å; F122-L124 HydrophobicContact CE1-CD2 3.83Å; F122-L124 HydrophobicContact CE1-CG 4.35Å; F122-L124 PolarHBondContact O-N 3.16Å; L124-T126 VanDerWaalsContact C-N 3.32Å; L124-A266 HydrophobicContact CD1-CB 3.79Å; L124-R267 HydrophobicContact CD1-CG 3.83Å; L124-R267 HydrophobicContact CD2-CG 4.17Å; L124-R267 HydrophobicContact CG-CG 4.29Å; L124-I362 HydrophobicContact CD2-CD1 3.68Å; L124-I362 HydrophobicContact CD2-CG1 4.19Å; L124-L364 HydrophobicContact CB-CD2 4.32Å; L124-L364 HydrophobicContact CD2-CD2 4.25Å; L124-L364 WeakPolarHBondContact O-CD2 3.19Å
125	E	86.2	Confident	93.7	Very high	168 Å²	168	74 Å²	74	79%	0.785	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	13.7	-177.2	-58.4	179.6	174.4	0	0	112.3	N123 P127	N123-E125 PolarHBondContact O-N 2.7Å; N123-E125 WeakPolarHBondContact OD1-CA 3.34Å; N123-E125 WeakPolarHBondContact OD1-CB 3.48Å; N123-E125 PolarHBondContact OD1-N 2.82Å; E125-P127 WeakPolarHBondContact O-CD 3.24Å; E125-P127 VanDerWaalsContact O-N 3.07Å
126	T	89	Confident	94	Very high	57 Å²	57	72 Å²	72	35%	0.35	36%	0.36	S	S	.	.			trans	-51.5	118.6	175.2	-60.3	0	0	0	0	109.6	N123 L124 R291	N123-T126 PolarHBondContact O-N 2.71Å; N123-T126 PolarHBondContact O-OG1 3.05Å; L124-T126 VanDerWaalsContact C-N 3.32Å; T126-R291 PolarHBondContact O-NH1 2.74Å
127	P	89.8	Confident	94.2	Very high	117 Å²	117	69.2 Å²	69.2	76%	0.76	35%	0.346	S	S	*	.			trans	-55.7	143.9	-174.6	-27.6	34.7	0	0	0	112.5	E125	E125-P127 WeakPolarHBondContact O-CD 3.24Å; E125-P127 VanDerWaalsContact O-N 3.07Å
128	F	93.5	Very high	94.3	Very high	46 Å²	46	67 Å²	67	20%	0.202	35%	0.348	C	S	.	.			trans	-151.2	161.9	173.4	68.7	-81.1	0	0	0	109.9	D130 R291 Y326 E342 L344	F128-D130 HydrophobicContact CE2-CB 4.49Å; F128-R291 VanDerWaalsContact CB-NH2 3.3Å; F128-R291 HydrophobicContact CE1-CG 3.93Å; F128-R291 HydrophobicContact CE2-CG 4.33Å; F128-R291 HydrophobicContact CZ-CB 4.35Å; F128-R291 HydrophobicContact CZ-CG 3.74Å; F128-Y326 WeakPolarHBondContact CB-OH 3.42Å; F128-E342 WeakPolarHBondContact CB-OE2 3.31Å; F128-E342 HydrophobicContact CD2-CB 3.92Å; F128-E342 HydrophobicContact CE2-CB 4.28Å; F128-L344 HydrophobicContact CE1-CB 4.47Å; F128-L344 HydrophobicContact CE2-CB 4.17Å; F128-L344 HydrophobicContact CZ-CB 3.59Å; F128-L344 HydrophobicContact CZ-CD1 4.22Å; F128-L344 HydrophobicContact CZ-CG 4.4Å
129	E	93.4	Very high	94.5	Very high	129 Å²	129	74.7 Å²	74.7	60%	0.603	38%	0.381	S	S	*	.			trans	-91.2	114.5	177.4	-173.1	-179	174.5	0	0	108.7	N131 E342	E129-N131 PolarHBondContact O-N 3.05Å; E129-E342 WeakPolarHBondContact O-CB 3.39Å
130	D	97.5	Very high	94.6	Very high	48 Å²	48	73.7 Å²	73.7	26%	0.257	37%	0.373	S	S	.	.			trans	-75.2	111.9	169.1	-173	-38.7	0	0	0	108.8	F128 R134 E342 L344	F128-D130 HydrophobicContact CE2-CB 4.49Å; D130-R134 IonicContact OD1-CZ 2.94Å; D130-R134 IonicContact OD1-NH1 2.67Å; D130-R134 PolarHBondContact OD1-NH1 3.46Å; D130-R134 IonicContact OD1-NH2 3.95Å; D130-R134 IonicContact OD2-CZ 2.7Å; D130-R134 IonicContact OD2-NH1 2.65Å; D130-R134 PolarHBondContact OD2-NH1 3.04Å; D130-R134 IonicContact OD2-NH2 3.3Å; D130-R134 PolarHBondContact OD2-NH2 3.05Å; D130-E342 WeakPolarHBondContact CA-O 3.46Å; D130-L344 WeakPolarHBondContact OD2-CA 3.32Å; D130-L344 WeakPolarHBondContact OD2-CB 3.32Å; D130-L344 PolarHBondContact OD2-N 2.89Å
131	N	97.8	Very high	94.9	Very high	77 Å²	77	73 Å²	73	41%	0.412	37%	0.371	S	S	.	.			trans	-119.4	14.4	-168.1	67.7	10	0	0	0	113.6	E129 P340 V341 E342	E129-N131 PolarHBondContact O-N 3.05Å; N131-P340 PolarHBondContact ND2-O 2.98Å; N131-V341 WeakPolarHBondContact OD1-CA 3.4Å; N131-E342 PolarHBondContact N-O 3.21Å; N131-E342 PolarHBondContact OD1-N 3.2Å; N131-E342 PolarHBondContact OD1-O 2.88Å
132	V	98.1	Very high	95.1	Very high	15 Å²	15	70.6 Å²	70.6	9%	0.091	36%	0.362	C	S	.	.			trans	-90.6	142.1	177.9	71.4	0	0	0	0	112	V157 V341 V343	V132-V157 HydrophobicContact CG1-CB 4.33Å; V132-V157 HydrophobicContact CG1-CG2 3.56Å; V132-V157 HydrophobicContact CG2-CG2 4.36Å; V132-V341 HydrophobicContact CB-CG1 3.88Å; V132-V341 HydrophobicContact CG2-CG1 4.02Å; V132-V343 HydrophobicContact CB-CG2 3.75Å; V132-V343 HydrophobicContact CG1-CB 4.02Å; V132-V343 HydrophobicContact CG1-CG1 3.59Å; V132-V343 HydrophobicContact CG1-CG2 3.5Å; V132-V343 HydrophobicContact CG2-CG2 4.28Å
133	E	98.3	Very high	95.3	Very high	104 Å²	104	74.1 Å²	74.1	49%	0.486	38%	0.383	S	S	.	.			trans	-61.6	137.2	172.9	-172.2	177.8	176.7	0	0	111.3	V135 Y149 V156 V157	E133-V135 HydrophobicContact CG-CG2 4.08Å; E133-Y149 PolarHBondContact OE1-OH 3.39Å; E133-Y149 VanDerWaalsContact OE1-OH 3.07Å; E133-V156 HydrophobicContact CB-CG2 4.43Å; E133-V157 PolarHBondContact O-N 2.95Å
134	R	98.6	Very high	95.4	Very high	82 Å²	82	71.9 Å²	71.9	31%	0.309	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.2	174.8	-82.1	176.8	176.7	76.5	-1.6	110.8	D130 V157 T159 L344 E349	D130-R134 IonicContact OD1-CZ 2.94Å; D130-R134 IonicContact OD1-NH1 2.67Å; D130-R134 PolarHBondContact OD1-NH1 3.46Å; D130-R134 IonicContact OD1-NH2 3.95Å; D130-R134 IonicContact OD2-CZ 2.7Å; D130-R134 IonicContact OD2-NH1 2.65Å; D130-R134 PolarHBondContact OD2-NH1 3.04Å; D130-R134 IonicContact OD2-NH2 3.3Å; D130-R134 PolarHBondContact OD2-NH2 3.05Å; R134-V157 CarbonylContact C-O 3.54Å; R134-V157 VanDerWaalsContact CA-O 3.31Å; R134-V157 WeakPolarHBondContact CA-O 3.46Å; R134-V157 HydrophobicContact CG-CB 3.73Å; R134-V157 HydrophobicContact CG-CG1 3.82Å; R134-T159 HydrophobicContact CB-CG2 4.44Å; R134-L344 PolarHBondContact NH2-O 3Å; R134-E349 IonicContact CZ-OE1 3.25Å; R134-E349 IonicContact NE-OE1 2.67Å; R134-E349 PolarHBondContact NE-OE1 3.48Å; R134-E349 IonicContact NE-OE2 2.96Å; R134-E349 IonicContact NH2-OE1 2.89Å; R134-E349 IonicContact NH2-OE2 3.8Å
135	V	98.2	Very high	95.7	Very high	28 Å²	28	70.7 Å²	70.7	17%	0.17	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.8	-179.5	-176.7	0	0	0	0	110.3	E133 G137 L140 Y149 V156 V157 L158 T159	E133-V135 HydrophobicContact CG-CG2 4.08Å; V135-G137 PolarHBondContact O-N 2.89Å; V135-G137 VanDerWaalsContact O-N 3.07Å; V135-L140 HydrophobicContact CG1-CB 4.45Å; V135-L140 HydrophobicContact CG1-CD1 4.39Å; V135-L140 HydrophobicContact CG1-CD2 4.43Å; V135-Y149 WeakPolarHBondContact CG2-OH 3.28Å; V135-V156 HydrophobicContact CB-CG2 4.48Å; V135-V156 HydrophobicContact CG2-CG2 3.93Å; V135-V157 PolarHBondContact N-O 2.89Å; V135-L158 HydrophobicContact CB-CD2 4.24Å; V135-L158 WeakPolarHBondContact O-CA 3.48Å; V135-T159 PolarHBondContact O-N 3.31Å; V135-T159 PolarHBondContact O-OG1 3.11Å; V135-T159 VanDerWaalsContact O-OG1 3.06Å
136	D	97.9	Very high	96.3	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	101.2	167.9	-169.5	-23.9	0	0	0	109.3	T138 K139 L140 T159 K160	D136-T138 PolarHBondContact O-N 3.22Å; D136-T138 VanDerWaalsContact O-N 3.1Å; D136-T138 PolarHBondContact OD1-N 3.28Å; D136-T138 VanDerWaalsContact OD1-N 3.1Å; D136-T138 PolarHBondContact OD1-OG1 2.72Å; D136-K139 HydrophobicContact CB-CB 4.35Å; D136-K139 HydrophobicContact CB-CD 4.15Å; D136-K139 HydrophobicContact CB-CG 4.19Å; D136-K139 PolarHBondContact O-N 2.76Å; D136-K139 WeakPolarHBondContact OD2-CE 3.48Å; D136-L140 PolarHBondContact O-N 2.67Å; D136-T159 WeakPolarHBondContact CA-OG1 3.38Å; D136-K160 WeakPolarHBondContact OD2-CD 3.41Å; D136-K160 WeakPolarHBondContact OD2-CE 3.34Å; D136-K160 IonicContact OD2-NZ 3.55Å; D136-K160 PolarHBondContact OD2-NZ 2.9Å
137	G	96.9	Very high	96.7	Very high	3 Å²	3	68.4 Å²	68.4	3%	0.031	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.7	-176.2	0	0	0	0	0	113.5	V135 T159	V135-G137 PolarHBondContact O-N 2.89Å; V135-G137 VanDerWaalsContact O-N 3.07Å; G137-T159 PolarHBondContact N-O 3.02Å
138	T	95.7	Very high	97.1	Very high	87 Å²	87	68 Å²	68	53%	0.534	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.5	175.9	67.6	0	0	0	0	113.1	D136 K160	D136-T138 PolarHBondContact O-N 3.22Å; D136-T138 VanDerWaalsContact O-N 3.1Å; D136-T138 PolarHBondContact OD1-N 3.28Å; D136-T138 VanDerWaalsContact OD1-N 3.1Å; D136-T138 PolarHBondContact OD1-OG1 2.72Å; T138-K160 HydrophobicContact CG2-CB 3.93Å
139	K	96.7	Very high	97.3	Very high	161 Å²	161	66.2 Å²	66.2	70%	0.7	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-6.6	178.4	-61	-175.9	-178.7	-174.5	0	112.9	D136	D136-K139 HydrophobicContact CB-CB 4.35Å; D136-K139 HydrophobicContact CB-CD 4.15Å; D136-K139 HydrophobicContact CB-CG 4.19Å; D136-K139 PolarHBondContact O-N 2.76Å; D136-K139 WeakPolarHBondContact OD2-CE 3.48Å
140	L	96.2	Very high	97.5	Very high	20 Å²	20	60.5 Å²	60.5	11%	0.105	30%	0.298	C	S	.	.			trans	-88.8	117.4	-177.1	-168.8	64.4	0	0	0	110.1	V135 D136 D144 F145 Y149 L158 L241	V135-L140 HydrophobicContact CG1-CB 4.45Å; V135-L140 HydrophobicContact CG1-CD1 4.39Å; V135-L140 HydrophobicContact CG1-CD2 4.43Å; D136-L140 PolarHBondContact O-N 2.67Å; L140-D144 HydrophobicContact CD1-CB 3.71Å; L140-F145 HydrophobicContact CD2-CB 3.74Å; L140-F145 HydrophobicContact CD2-CD2 3.85Å; L140-F145 HydrophobicContact CD2-CG 4.27Å; L140-F145 HydrophobicContact CG-CB 3.99Å; L140-Y149 HydrophobicContact CD1-CE2 4.2Å; L140-Y149 HydrophobicContact CD2-CD2 4.13Å; L140-Y149 HydrophobicContact CD2-CE2 3.9Å; L140-L158 HydrophobicContact CD2-CD2 3.9Å; L140-L241 HydrophobicContact CD2-CD1 4.27Å
141	T	97.3	Very high	97.5	Very high	71 Å²	71	63.4 Å²	63.4	44%	0.436	31%	0.312	S	S	.	.			trans	-71	161	173.5	70.4	0	0	0	0	110.7	D143 D144 F145	T141-D143 VanDerWaalsContact C-N 3.33Å; T141-D143 PolarHBondContact O-N 3.1Å; T141-D144 PolarHBondContact O-N 3.46Å; T141-D144 VanDerWaalsContact OG1-CB 3.28Å; T141-D144 WeakPolarHBondContact OG1-CB 3.26Å; T141-D144 PolarHBondContact OG1-N 3.48Å; T141-D144 VanDerWaalsContact OG1-N 3.1Å; T141-D144 PolarHBondContact OG1-OD2 2.91Å; T141-F145 WeakPolarHBondContact O-CB 3.47Å; T141-F145 PolarHBondContact O-N 2.77Å
142	I	96.9	Very high	97.5	Very high	84 Å²	84	62.6 Å²	62.6	43%	0.431	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-46.6	176.2	-59.3	173.9	0	0	0	109.9	D144 F145 V146 V240 L241	I142-D144 PolarHBondContact O-N 2.96Å; I142-F145 PolarHBondContact O-N 2.98Å; I142-V146 HydrophobicContact CG2-CG2 4.2Å; I142-V146 WeakPolarHBondContact O-CB 3.32Å; I142-V146 VanDerWaalsContact O-CG2 3.26Å; I142-V146 WeakPolarHBondContact O-CG2 3.39Å; I142-V146 PolarHBondContact O-N 3.33Å; I142-V240 HydrophobicContact CD1-CG2 3.75Å; I142-V240 HydrophobicContact CG1-CG2 4.11Å; I142-L241 HydrophobicContact CG1-CD2 4.32Å
143	D	97	Very high	97.4	Very high	120 Å²	120	66 Å²	66	64%	0.642	32%	0.323	S	S	*	.	H	α-helix	trans	-65.7	-38.8	-177.7	-64.7	-33.7	0	0	0	112.3	T141 V146 R147	T141-D143 VanDerWaalsContact C-N 3.33Å; T141-D143 PolarHBondContact O-N 3.1Å; D143-V146 PolarHBondContact O-N 2.79Å; D143-R147 WeakPolarHBondContact O-CB 3.43Å; D143-R147 PolarHBondContact O-N 2.82Å
144	D	97.7	Very high	97.4	Very high	42 Å²	42	63.9 Å²	63.9	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-41.4	174.1	-67.7	-35.5	0	0	0	111.7	L140 T141 I142 R147 K148	L140-D144 HydrophobicContact CD1-CB 3.71Å; T141-D144 PolarHBondContact O-N 3.46Å; T141-D144 VanDerWaalsContact OG1-CB 3.28Å; T141-D144 WeakPolarHBondContact OG1-CB 3.26Å; T141-D144 PolarHBondContact OG1-N 3.48Å; T141-D144 VanDerWaalsContact OG1-N 3.1Å; T141-D144 PolarHBondContact OG1-OD2 2.91Å; I142-D144 PolarHBondContact O-N 2.96Å; D144-R147 IonicContact OD1-CZ 2.69Å; D144-R147 VanDerWaalsContact OD1-CZ 3.25Å; D144-R147 IonicContact OD1-NH1 3.72Å; D144-R147 PolarHBondContact OD1-NH1 3.43Å; D144-R147 IonicContact OD1-NH2 3.91Å; D144-R147 PolarHBondContact OD1-NH2 3.15Å; D144-K148 VanDerWaalsContact O-CB 3.23Å; D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 WeakPolarHBondContact O-CG 3.46Å; D144-K148 PolarHBondContact O-N 3.31Å
145	F	98.2	Very high	97.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-47.7	175.6	172.3	-103.2	0	0	0	111.5	L140 T141 I142 Y149 E150 V156 L241 F242 F352	L140-F145 HydrophobicContact CD2-CB 3.74Å; L140-F145 HydrophobicContact CD2-CD2 3.85Å; L140-F145 HydrophobicContact CD2-CG 4.27Å; L140-F145 HydrophobicContact CG-CB 3.99Å; T141-F145 WeakPolarHBondContact O-CB 3.47Å; T141-F145 PolarHBondContact O-N 2.77Å; I142-F145 PolarHBondContact O-N 2.98Å; F145-Y149 AromaticContact CD2-CD2 3.86Å; F145-Y149 HydrophobicContact CD2-CD2 3.86Å; F145-Y149 HydrophobicContact CD2-CG 4.45Å; F145-Y149 HydrophobicContact CE2-CD2 4.44Å; F145-Y149 PolarHBondContact O-N 3.31Å; F145-E150 HydrophobicContact CD1-CB 4.33Å; F145-E150 HydrophobicContact CE1-CB 3.87Å; F145-E150 HydrophobicContact CE1-CG 4.05Å; F145-E150 HydrophobicContact CZ-CB 4.28Å; F145-E150 HydrophobicContact CZ-CG 4.47Å; F145-E150 PolarHBondContact O-N 3.12Å; F145-V156 HydrophobicContact CE2-CG1 4.45Å; F145-L241 HydrophobicContact CB-CD1 4.46Å; F145-L241 HydrophobicContact CB-CD2 3.89Å; F145-L241 HydrophobicContact CD1-CB 4.1Å; F145-L241 HydrophobicContact CD2-CD1 4.21Å; F145-L241 HydrophobicContact CE1-CB 4.41Å; F145-L241 HydrophobicContact CG-CB 4.32Å; F145-L241 HydrophobicContact CG-CD1 4.23Å; F145-L241 HydrophobicContact CG-CD2 4.24Å; F145-L241 HydrophobicContact CG-CG 4.49Å; F145-F242 HydrophobicContact CE1-CD1 4.41Å; F145-F242 HydrophobicContact CE1-CE1 4.05Å; F145-F242 HydrophobicContact CE2-CE1 4.22Å; F145-F242 HydrophobicContact CZ-CD1 4.35Å; F145-F242 AromaticContact CZ-CE1 3.6Å; F145-F242 HydrophobicContact CZ-CE1 3.6Å; F145-F242 HydrophobicContact CZ-CZ 4.41Å; F145-F352 HydrophobicContact CE2-CB 4.42Å; F145-F352 HydrophobicContact CE2-CD1 4.05Å; F145-F352 HydrophobicContact CE2-CD2 4.44Å; F145-F352 HydrophobicContact CE2-CE1 4.4Å; F145-F352 HydrophobicContact CE2-CG 4.05Å; F145-F352 HydrophobicContact CZ-CD1 4.07Å; F145-F352 AromaticContact CZ-CD2 3.86Å; F145-F352 HydrophobicContact CZ-CD2 3.86Å; F145-F352 HydrophobicContact CZ-CE1 4.12Å; F145-F352 AromaticContact CZ-CE2 3.95Å; F145-F352 HydrophobicContact CZ-CE2 3.95Å; F145-F352 AromaticContact CZ-CG 3.92Å; F145-F352 HydrophobicContact CZ-CG 3.92Å; F145-F352 HydrophobicContact CZ-CZ 4.07Å
146	V	97.6	Very high	97.4	Very high	37 Å²	37	59 Å²	59	22%	0.224	30%	0.296	C	S	.	.	I	π-helix	trans	-62	-47.9	-179.9	170.6	0	0	0	0	110.7	I142 D143 E150 I151	I142-V146 HydrophobicContact CG2-CG2 4.2Å; I142-V146 WeakPolarHBondContact O-CB 3.32Å; I142-V146 VanDerWaalsContact O-CG2 3.26Å; I142-V146 WeakPolarHBondContact O-CG2 3.39Å; I142-V146 PolarHBondContact O-N 3.33Å; D143-V146 PolarHBondContact O-N 2.79Å; V146-E150 PolarHBondContact O-N 2.9Å; V146-I151 HydrophobicContact CG1-CD1 3.54Å; V146-I151 HydrophobicContact CG1-CG1 3.78Å; V146-I151 WeakPolarHBondContact O-CB 3.08Å; V146-I151 WeakPolarHBondContact O-CG1 3.16Å; V146-I151 PolarHBondContact O-N 2.59Å
147	R	97.9	Very high	97.5	Very high	140 Å²	140	57.8 Å²	57.8	53%	0.528	29%	0.29	S	S	.	.	I	π-helix	trans	-68	-42.6	-178	-173.6	174.5	73.4	-102.6	3.2	113.1	D143 D144 P152	D143-R147 WeakPolarHBondContact O-CB 3.43Å; D143-R147 PolarHBondContact O-N 2.82Å; D144-R147 IonicContact OD1-CZ 2.69Å; D144-R147 VanDerWaalsContact OD1-CZ 3.25Å; D144-R147 IonicContact OD1-NH1 3.72Å; D144-R147 PolarHBondContact OD1-NH1 3.43Å; D144-R147 IonicContact OD1-NH2 3.91Å; D144-R147 PolarHBondContact OD1-NH2 3.15Å; R147-P152 VanDerWaalsContact O-CD 3.29Å; R147-P152 WeakPolarHBondContact O-CD 3.4Å
148	K	98.1	Very high	97.6	Very high	108 Å²	108	57.6 Å²	57.6	47%	0.47	29%	0.288	S	S	.	.	I	π-helix	trans	-90.1	-28.6	-172.7	-64.4	-179.5	177.7	-177.3	0	114.4	D144 P152	D144-K148 VanDerWaalsContact O-CB 3.23Å; D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 WeakPolarHBondContact O-CG 3.46Å; D144-K148 PolarHBondContact O-N 3.31Å; K148-P152 WeakPolarHBondContact O-CG 3.39Å
149	Y	98.2	Very high	97.7	Very high	10 Å²	10	55 Å²	55	4%	0.039	27%	0.272	C	S	.	.	I	π-helix	trans	-126.8	-47	-172.1	-51.8	-66.2	0	0	0	113.4	E133 V135 L140 F145 R153 V154 V156	E133-Y149 PolarHBondContact OE1-OH 3.39Å; E133-Y149 VanDerWaalsContact OE1-OH 3.07Å; V135-Y149 WeakPolarHBondContact CG2-OH 3.28Å; L140-Y149 HydrophobicContact CD1-CE2 4.2Å; L140-Y149 HydrophobicContact CD2-CD2 4.13Å; L140-Y149 HydrophobicContact CD2-CE2 3.9Å; F145-Y149 AromaticContact CD2-CD2 3.86Å; F145-Y149 HydrophobicContact CD2-CD2 3.86Å; F145-Y149 HydrophobicContact CD2-CG 4.45Å; F145-Y149 HydrophobicContact CE2-CD2 4.44Å; F145-Y149 PolarHBondContact O-N 3.31Å; Y149-R153 CarbonylContact O-C 3.45Å; Y149-R153 WeakPolarHBondContact O-CA 3.47Å; Y149-R153 PolarHBondContact O-N 2.68Å; Y149-V154 HydrophobicContact CD1-CB 4.26Å; Y149-V154 HydrophobicContact CD1-CG1 4.31Å; Y149-V154 PolarHBondContact O-N 3.34Å; Y149-V156 HydrophobicContact CD1-CB 3.72Å; Y149-V156 HydrophobicContact CD1-CG1 3.86Å; Y149-V156 HydrophobicContact CD1-CG2 4.09Å; Y149-V156 HydrophobicContact CD2-CG1 4.1Å; Y149-V156 HydrophobicContact CE1-CB 3.96Å; Y149-V156 HydrophobicContact CE1-CG1 4.4Å; Y149-V156 HydrophobicContact CE1-CG2 3.81Å; Y149-V156 HydrophobicContact CE2-CG2 4.48Å; Y149-V156 HydrophobicContact CG-CB 4.13Å; Y149-V156 HydrophobicContact CG-CG1 3.72Å
150	E	97.4	Very high	97.7	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.042	26%	0.261	C	S	.	.	I	π-helix	trans	-72.5	-54	-170.8	-153.6	-175.8	-131.5	0	0	112.9	F145 V146 R153 F352 Y374 A376 S378	F145-E150 HydrophobicContact CD1-CB 4.33Å; F145-E150 HydrophobicContact CE1-CB 3.87Å; F145-E150 HydrophobicContact CE1-CG 4.05Å; F145-E150 HydrophobicContact CZ-CB 4.28Å; F145-E150 HydrophobicContact CZ-CG 4.47Å; F145-E150 PolarHBondContact O-N 3.12Å; V146-E150 PolarHBondContact O-N 2.9Å; E150-R153 PolarHBondContact O-N 2.85Å; E150-F352 HydrophobicContact CB-CZ 4.38Å; E150-F352 HydrophobicContact CG-CZ 3.98Å; E150-Y374 VanDerWaalsContact OE1-CE2 3.24Å; E150-Y374 WeakPolarHBondContact OE1-CE2 3.45Å; E150-Y374 PolarHBondContact OE1-OH 2.8Å; E150-A376 WeakPolarHBondContact OE1-CB 3.43Å; E150-S378 WeakPolarHBondContact CG-OG 3.26Å; E150-S378 PolarHBondContact OE2-OG 2.93Å
151	I	96.7	Very high	97.6	Very high	108 Å²	108	52.2 Å²	52.2	55%	0.554	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-51.1	176.8	-67.9	174.2	0	0	0	112.1	V146 R153	V146-I151 HydrophobicContact CG1-CD1 3.54Å; V146-I151 HydrophobicContact CG1-CG1 3.78Å; V146-I151 WeakPolarHBondContact O-CB 3.08Å; V146-I151 WeakPolarHBondContact O-CG1 3.16Å; V146-I151 PolarHBondContact O-N 2.59Å; I151-R153 PolarHBondContact O-N 3.12Å
152	P	97.1	Very high	97.6	Very high	61 Å²	61	48.9 Å²	48.9	40%	0.396	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-4.3	179.5	30.1	-36.1	0	0	0	113	R147 K148 V154	R147-P152 VanDerWaalsContact O-CD 3.29Å; R147-P152 WeakPolarHBondContact O-CD 3.4Å; K148-P152 WeakPolarHBondContact O-CG 3.39Å; P152-V154 HydrophobicContact CB-CG2 4.07Å; P152-V154 HydrophobicContact CG-CG2 4.13Å
153	R	97.1	Very high	97.4	Very high	87 Å²	87	48.3 Å²	48.3	33%	0.328	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	51.7	179.2	-59.2	175	-70.2	149.5	3.7	112.4	Y149 E150 I151 P354 W357 M424	Y149-R153 CarbonylContact O-C 3.45Å; Y149-R153 WeakPolarHBondContact O-CA 3.47Å; Y149-R153 PolarHBondContact O-N 2.68Å; E150-R153 PolarHBondContact O-N 2.85Å; I151-R153 PolarHBondContact O-N 3.12Å; R153-P354 VanDerWaalsContact C-CG 3.44Å; R153-P354 HydrophobicContact CB-CB 3.76Å; R153-P354 HydrophobicContact CB-CG 4.38Å; R153-P354 HydrophobicContact CG-CB 4.31Å; R153-P354 WeakPolarHBondContact O-CG 3.41Å; R153-W357 WeakPolarHBondContact O-CZ2 3.4Å; R153-W357 PolarHBondContact O-NE1 2.94Å; R153-M424 VanDerWaalsContact NH1-CE 3.27Å; R153-M424 PolarHBondContact NH1-SD 3.4Å
154	V	98	Very high	97.2	Very high	58 Å²	58	47.9 Å²	47.9	35%	0.352	23%	0.234	S	C	.	.			trans	-102.2	120.2	178.3	-179	0	0	0	0	109.8	Y149 P152	Y149-V154 HydrophobicContact CD1-CB 4.26Å; Y149-V154 HydrophobicContact CD1-CG1 4.31Å; Y149-V154 PolarHBondContact O-N 3.34Å; P152-V154 HydrophobicContact CB-CG2 4.07Å; P152-V154 HydrophobicContact CG-CG2 4.13Å
155	P	98.6	Very high	97.2	Very high	7 Å²	7	46.2 Å²	46.2	5%	0.045	22%	0.224	C	C	.	.			trans	-61.2	138.7	171.8	-19	30.2	0	0	0	111	L294 P354 W357	P155-L294 HydrophobicContact CB-CD2 4.15Å; P155-L294 HydrophobicContact CG-CD2 4.21Å; P155-P354 HydrophobicContact CG-CG 4.15Å; P155-W357 HydrophobicContact CG-CD2 3.64Å; P155-W357 HydrophobicContact CG-CE3 3.67Å; P155-W357 HydrophobicContact CG-CG 4.35Å; P155-W357 HydrophobicContact CG-CH2 3.76Å; P155-W357 HydrophobicContact CG-CZ2 3.74Å; P155-W357 HydrophobicContact CG-CZ3 3.73Å
156	V	98.8	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.6	179.7	65.9	0	0	0	0	110.5	E133 V135 F145 Y149 L158 F352	E133-V156 HydrophobicContact CB-CG2 4.43Å; V135-V156 HydrophobicContact CB-CG2 4.48Å; V135-V156 HydrophobicContact CG2-CG2 3.93Å; F145-V156 HydrophobicContact CE2-CG1 4.45Å; Y149-V156 HydrophobicContact CD1-CB 3.72Å; Y149-V156 HydrophobicContact CD1-CG1 3.86Å; Y149-V156 HydrophobicContact CD1-CG2 4.09Å; Y149-V156 HydrophobicContact CD2-CG1 4.1Å; Y149-V156 HydrophobicContact CE1-CB 3.96Å; Y149-V156 HydrophobicContact CE1-CG1 4.4Å; Y149-V156 HydrophobicContact CE1-CG2 3.81Å; Y149-V156 HydrophobicContact CE2-CG2 4.48Å; Y149-V156 HydrophobicContact CG-CB 4.13Å; Y149-V156 HydrophobicContact CG-CG1 3.72Å; V156-L158 HydrophobicContact CG1-CD2 4.01Å; V156-L158 HydrophobicContact CG1-CG 4.37Å; V156-L158 HydrophobicContact CG2-CD2 4.27Å; V156-F352 HydrophobicContact CG1-CB 3.99Å; V156-F352 HydrophobicContact CG1-CD1 4.12Å; V156-F352 PolarHBondContact O-N 3.2Å
157	V	98.8	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.5	170.8	172.8	0	0	0	0	109.8	V132 E133 R134 V135 V343 E349 I351	V132-V157 HydrophobicContact CG1-CB 4.33Å; V132-V157 HydrophobicContact CG1-CG2 3.56Å; V132-V157 HydrophobicContact CG2-CG2 4.36Å; E133-V157 PolarHBondContact O-N 2.95Å; R134-V157 CarbonylContact C-O 3.54Å; R134-V157 VanDerWaalsContact CA-O 3.31Å; R134-V157 WeakPolarHBondContact CA-O 3.46Å; R134-V157 HydrophobicContact CG-CB 3.73Å; R134-V157 HydrophobicContact CG-CG1 3.82Å; V135-V157 PolarHBondContact N-O 2.89Å; V157-V343 HydrophobicContact CG2-CG1 3.72Å; V157-E349 HydrophobicContact CG1-CB 3.87Å; V157-E349 HydrophobicContact CG1-CG 4.05Å; V157-I351 HydrophobicContact CG2-CB 4.28Å; V157-I351 HydrophobicContact CG2-CD1 4.49Å; V157-I351 HydrophobicContact CG2-CG1 4.21Å
158	L	98.6	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.3	177.4	-56	-177.4	0	0	0	109.8	V135 L140 V156 L161 L241 F242 L350	V135-L158 HydrophobicContact CB-CD2 4.24Å; V135-L158 WeakPolarHBondContact O-CA 3.48Å; L140-L158 HydrophobicContact CD2-CD2 3.9Å; V156-L158 HydrophobicContact CG1-CD2 4.01Å; V156-L158 HydrophobicContact CG1-CG 4.37Å; V156-L158 HydrophobicContact CG2-CD2 4.27Å; L158-L161 HydrophobicContact CB-CD2 4.18Å; L158-L161 HydrophobicContact CD1-CD2 3.8Å; L158-L241 HydrophobicContact CD1-CD1 3.52Å; L158-F242 HydrophobicContact CD1-CE2 4.46Å; L158-F242 HydrophobicContact CD1-CZ 3.9Å; L158-L350 HydrophobicContact CB-CD2 4.33Å; L158-L350 HydrophobicContact CD1-CD2 4.08Å; L158-L350 HydrophobicContact CG-CD2 4.42Å; L158-L350 PolarHBondContact N-O 3.17Å; L158-L350 PolarHBondContact O-N 3.3Å
159	T	98.3	Very high	97.1	Very high	33 Å²	33	44.7 Å²	44.7	20%	0.202	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	158.7	177.5	65.9	0	0	0	0	110.8	R134 V135 D136 G137 L161 E349	R134-T159 HydrophobicContact CB-CG2 4.44Å; V135-T159 PolarHBondContact O-N 3.31Å; V135-T159 PolarHBondContact O-OG1 3.11Å; V135-T159 VanDerWaalsContact O-OG1 3.06Å; D136-T159 WeakPolarHBondContact CA-OG1 3.38Å; G137-T159 PolarHBondContact N-O 3.02Å; T159-L161 PolarHBondContact O-N 3.08Å; T159-E349 HydrophobicContact CG2-CG 4.44Å
160	K	96.8	Very high	97	Very high	108 Å²	108	48 Å²	48	47%	0.47	25%	0.249	S	C	.	.	S	Bend	trans	60.8	-6.7	176.5	-52.2	-175.6	-165.5	162.9	0	117.3	D136 T138 V162 T163 Q164	D136-K160 WeakPolarHBondContact OD2-CD 3.41Å; D136-K160 WeakPolarHBondContact OD2-CE 3.34Å; D136-K160 IonicContact OD2-NZ 3.55Å; D136-K160 PolarHBondContact OD2-NZ 2.9Å; T138-K160 HydrophobicContact CG2-CB 3.93Å; K160-V162 VanDerWaalsContact C-N 3.27Å; K160-V162 PolarHBondContact O-N 2.95Å; K160-T163 PolarHBondContact O-OG1 3.25Å; K160-T163 VanDerWaalsContact O-OG1 3.06Å; K160-Q164 PolarHBondContact O-OE1 3.44Å
161	L	94.7	Very high	97.1	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.068	25%	0.247	C	C	.	.	S	Bend	trans	-69.4	-24.1	-176.3	-169.8	57.7	0	0	0	113.5	L158 T159 Q164 P239 L241 F242 L350	L158-L161 HydrophobicContact CB-CD2 4.18Å; L158-L161 HydrophobicContact CD1-CD2 3.8Å; T159-L161 PolarHBondContact O-N 3.08Å; L161-Q164 PolarHBondContact O-NE2 3.38Å; L161-Q164 PolarHBondContact O-OE1 3.15Å; L161-P239 HydrophobicContact CD1-CB 4.09Å; L161-P239 HydrophobicContact CD2-CB 3.64Å; L161-P239 HydrophobicContact CD2-CG 4Å; L161-P239 HydrophobicContact CG-CB 3.81Å; L161-P239 HydrophobicContact CG-CG 4.11Å; L161-L241 HydrophobicContact CD2-CD1 4.12Å; L161-F242 HydrophobicContact CD2-CE2 4.29Å; L161-L350 HydrophobicContact CD2-CD1 4.3Å
162	V	96.2	Very high	97	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-124.9	0.5	-172.8	-53.9	0	0	0	0	113.8	K160 Q164 W165 A284 G348 L350	K160-V162 VanDerWaalsContact C-N 3.27Å; K160-V162 PolarHBondContact O-N 2.95Å; V162-Q164 VanDerWaalsContact C-N 3.28Å; V162-Q164 PolarHBondContact O-N 3.19Å; V162-W165 HydrophobicContact CB-CD2 3.73Å; V162-W165 HydrophobicContact CB-CE3 3.7Å; V162-W165 HydrophobicContact CB-CG 4.38Å; V162-W165 HydrophobicContact CB-CH2 4.05Å; V162-W165 HydrophobicContact CB-CZ2 4.04Å; V162-W165 HydrophobicContact CB-CZ3 3.88Å; V162-W165 HydrophobicContact CG1-CD2 4.1Å; V162-W165 HydrophobicContact CG1-CE3 4.06Å; V162-W165 HydrophobicContact CG1-CH2 3.43Å; V162-W165 VanDerWaalsContact CG1-CH2 3.43Å; V162-W165 HydrophobicContact CG1-CZ2 3.42Å; V162-W165 VanDerWaalsContact CG1-CZ2 3.42Å; V162-W165 HydrophobicContact CG1-CZ3 3.75Å; V162-W165 WeakPolarHBondContact O-CB 3.42Å; V162-W165 PolarHBondContact O-N 3.03Å; V162-A284 HydrophobicContact CG1-CB 4.04Å; V162-A284 HydrophobicContact CG2-CB 4.44Å; V162-G348 VanDerWaalsContact CG2-O 3.25Å; V162-G348 WeakPolarHBondContact CG2-O 3.25Å; V162-L350 HydrophobicContact CG1-CB 4.21Å; V162-L350 HydrophobicContact CG1-CD1 3.87Å
163	T	93.8	Very high	96.8	Very high	72 Å²	72	43.7 Å²	43.7	44%	0.442	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.8	-175.8	43.9	0	0	0	0	112.7	K160 W165 S168	K160-T163 PolarHBondContact O-OG1 3.25Å; K160-T163 VanDerWaalsContact O-OG1 3.06Å; T163-W165 VanDerWaalsContact C-N 3.33Å; T163-S168 WeakPolarHBondContact O-CB 3.22Å; T163-S168 PolarHBondContact O-OG 3.43Å
164	Q	93.6	Very high	96.6	Very high	112 Å²	112	45.7 Å²	45.7	52%	0.523	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.4	178	76.5	-72.9	12.7	0	0	113.9	K160 L161 V162	K160-Q164 PolarHBondContact O-OE1 3.44Å; L161-Q164 PolarHBondContact O-NE2 3.38Å; L161-Q164 PolarHBondContact O-OE1 3.15Å; V162-Q164 VanDerWaalsContact C-N 3.28Å; V162-Q164 PolarHBondContact O-N 3.19Å
165	W	97.8	Very high	96.6	Very high	6 Å²	6	48.7 Å²	48.7	2%	0.023	25%	0.245	C	C	.	.	S	Bend	trans	-64	141.9	179.4	-71.7	-5	0	0	0	111.4	V162 T163 A167 S168 Y236 E237 P239 W282 A284 I286 V370	V162-W165 HydrophobicContact CB-CD2 3.73Å; V162-W165 HydrophobicContact CB-CE3 3.7Å; V162-W165 HydrophobicContact CB-CG 4.38Å; V162-W165 HydrophobicContact CB-CH2 4.05Å; V162-W165 HydrophobicContact CB-CZ2 4.04Å; V162-W165 HydrophobicContact CB-CZ3 3.88Å; V162-W165 HydrophobicContact CG1-CD2 4.1Å; V162-W165 HydrophobicContact CG1-CE3 4.06Å; V162-W165 HydrophobicContact CG1-CH2 3.43Å; V162-W165 VanDerWaalsContact CG1-CH2 3.43Å; V162-W165 HydrophobicContact CG1-CZ2 3.42Å; V162-W165 VanDerWaalsContact CG1-CZ2 3.42Å; V162-W165 HydrophobicContact CG1-CZ3 3.75Å; V162-W165 WeakPolarHBondContact O-CB 3.42Å; V162-W165 PolarHBondContact O-N 3.03Å; T163-W165 VanDerWaalsContact C-N 3.33Å; W165-A167 HydrophobicContact CB-CB 4.27Å; W165-A167 PolarHBondContact O-N 3.18Å; W165-S168 WeakPolarHBondContact O-CB 3.2Å; W165-S168 PolarHBondContact O-N 2.89Å; W165-S168 PolarHBondContact O-OG 2.9Å; W165-Y236 HydrophobicContact CE3-CG 4.41Å; W165-Y236 HydrophobicContact CH2-CD2 4.09Å; W165-Y236 HydrophobicContact CZ3-CD2 4.17Å; W165-Y236 HydrophobicContact CZ3-CG 4.27Å; W165-E237 WeakPolarHBondContact CH2-O 3.3Å; W165-E237 WeakPolarHBondContact CZ2-O 3.15Å; W165-P239 HydrophobicContact CH2-CG 4.45Å; W165-P239 HydrophobicContact CZ2-CG 3.9Å; W165-W282 HydrophobicContact CH2-CH2 4.34Å; W165-W282 HydrophobicContact CH2-CZ3 4.16Å; W165-A284 HydrophobicContact CH2-CB 3.91Å; W165-A284 HydrophobicContact CZ3-CB 3.65Å; W165-I286 HydrophobicContact CE3-CD1 3.98Å; W165-I286 HydrophobicContact CZ3-CD1 4.28Å; W165-V370 HydrophobicContact CH2-CG1 4.45Å; W165-V370 HydrophobicContact CZ3-CG1 3.82Å
166	P	98.1	Very high	96.5	Very high	57 Å²	57	48.5 Å²	48.5	37%	0.37	24%	0.243	S	C	.	.	H	α-helix	trans	-56.3	-22.9	173.5	-22	29.5	0	0	0	113.6	S168 Q169 K170 D235	P166-S168 VanDerWaalsContact C-N 3.28Å; P166-S168 PolarHBondContact O-N 2.91Å; P166-Q169 PolarHBondContact O-N 3.46Å; P166-K170 HydrophobicContact CB-CD 3.87Å; P166-K170 WeakPolarHBondContact O-CB 3.23Å; P166-K170 VanDerWaalsContact O-CG 3.23Å; P166-K170 WeakPolarHBondContact O-CG 3.24Å; P166-K170 PolarHBondContact O-N 2.8Å; P166-D235 WeakPolarHBondContact CD-O 3.49Å
167	A	98	Very high	96.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.6	-37.8	172.9	0	0	0	0	0	112.9	W165 Q169 K170 W171 D235 I286	W165-A167 HydrophobicContact CB-CB 4.27Å; W165-A167 PolarHBondContact O-N 3.18Å; A167-Q169 PolarHBondContact O-N 3.47Å; A167-Q169 VanDerWaalsContact O-N 3.13Å; A167-K170 PolarHBondContact O-N 3.15Å; A167-W171 HydrophobicContact CB-CD2 3.68Å; A167-W171 HydrophobicContact CB-CE3 4.08Å; A167-W171 HydrophobicContact CB-CG 3.88Å; A167-W171 HydrophobicContact CB-CZ2 4.32Å; A167-W171 VanDerWaalsContact O-CB 3.29Å; A167-W171 WeakPolarHBondContact O-CB 3.22Å; A167-W171 PolarHBondContact O-N 3.17Å; A167-D235 HydrophobicContact CB-CB 4.23Å; A167-D235 WeakPolarHBondContact CB-O 3.36Å; A167-D235 PolarHBondContact N-O 3.08Å; A167-I286 HydrophobicContact CB-CD1 4.31Å; A167-I286 HydrophobicContact CB-CG1 4.31Å; A167-I286 HydrophobicContact CB-CG2 4.2Å; A167-I286 WeakPolarHBondContact O-CG2 3.21Å
168	S	95.7	Very high	96.2	Very high	57 Å²	57	61.5 Å²	61.5	40%	0.399	30%	0.297	S	S	.	.	H	α-helix	trans	-56.9	-33.4	-179	66.4	0	0	0	0	112.4	T163 W165 P166	T163-S168 WeakPolarHBondContact O-CB 3.22Å; T163-S168 PolarHBondContact O-OG 3.43Å; W165-S168 WeakPolarHBondContact O-CB 3.2Å; W165-S168 PolarHBondContact O-N 2.89Å; W165-S168 PolarHBondContact O-OG 2.9Å; P166-S168 VanDerWaalsContact C-N 3.28Å; P166-S168 PolarHBondContact O-N 2.91Å
169	Q	96.1	Very high	96.1	Very high	140 Å²	140	65.8 Å²	65.8	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-97.6	-32.5	175.3	-61	-178.1	-4.2	0	0	113.6	P166 A167 R175	P166-Q169 PolarHBondContact O-N 3.46Å; A167-Q169 PolarHBondContact O-N 3.47Å; A167-Q169 VanDerWaalsContact O-N 3.13Å; Q169-R175 WeakPolarHBondContact O-CD 3.49Å; Q169-R175 PolarHBondContact O-NH1 3.09Å
170	K	97.8	Very high	96.1	Very high	80 Å²	80	64.3 Å²	64.3	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-87.6	-28.3	-171.1	-70.9	173.9	-180	167.4	0	113.4	P166 A167 T172 R175 D235	P166-K170 HydrophobicContact CB-CD 3.87Å; P166-K170 WeakPolarHBondContact O-CB 3.23Å; P166-K170 VanDerWaalsContact O-CG 3.23Å; P166-K170 WeakPolarHBondContact O-CG 3.24Å; P166-K170 PolarHBondContact O-N 2.8Å; A167-K170 PolarHBondContact O-N 3.15Å; K170-T172 PolarHBondContact O-N 3.32Å; K170-T172 VanDerWaalsContact O-N 3.09Å; K170-R175 VanDerWaalsContact O-CB 3.25Å; K170-R175 WeakPolarHBondContact O-CB 3.47Å; K170-D235 HydrophobicContact CD-CB 4.43Å; K170-D235 WeakPolarHBondContact CD-OD1 3.39Å; K170-D235 IonicContact NZ-OD1 3Å; K170-D235 PolarHBondContact NZ-OD1 3.03Å
171	W	97.8	Very high	96	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	29%	0.287	C	S	.	.			trans	-88.9	51.7	-173.9	-70.1	13.1	0	0	0	112.2	A167 L176 L232 D235 Y236 F261 I286 V287 I368 V370	A167-W171 HydrophobicContact CB-CD2 3.68Å; A167-W171 HydrophobicContact CB-CE3 4.08Å; A167-W171 HydrophobicContact CB-CG 3.88Å; A167-W171 HydrophobicContact CB-CZ2 4.32Å; A167-W171 VanDerWaalsContact O-CB 3.29Å; A167-W171 WeakPolarHBondContact O-CB 3.22Å; A167-W171 PolarHBondContact O-N 3.17Å; W171-L176 HydrophobicContact CB-CD1 4.42Å; W171-L176 HydrophobicContact CG-CD2 4.42Å; W171-L232 HydrophobicContact CZ2-CB 4.32Å; W171-L232 HydrophobicContact CZ2-CD2 4.03Å; W171-D235 HydrophobicContact CZ2-CB 4.41Å; W171-D235 PolarHBondContact NE1-OD2 2.66Å; W171-Y236 HydrophobicContact CH2-CD1 4.22Å; W171-Y236 HydrophobicContact CZ2-CD1 4.17Å; W171-F261 HydrophobicContact CD2-CE2 4.28Å; W171-F261 HydrophobicContact CE3-CE2 4.03Å; W171-F261 AromaticContact CH2-CD2 3.82Å; W171-F261 HydrophobicContact CH2-CD2 3.82Å; W171-F261 HydrophobicContact CH2-CE2 4.04Å; W171-F261 HydrophobicContact CZ2-CD2 4.25Å; W171-F261 HydrophobicContact CZ2-CE2 4.29Å; W171-F261 HydrophobicContact CZ3-CD2 4Å; W171-F261 AromaticContact CZ3-CE2 3.9Å; W171-F261 HydrophobicContact CZ3-CE2 3.9Å; W171-I286 HydrophobicContact CB-CG2 4.11Å; W171-I286 HydrophobicContact CE3-CB 4.11Å; W171-I286 HydrophobicContact CE3-CG1 3.68Å; W171-I286 HydrophobicContact CE3-CG2 4.35Å; W171-I286 HydrophobicContact CZ3-CG1 3.91Å; W171-V287 VanDerWaalsContact O-CG2 3.29Å; W171-V287 WeakPolarHBondContact O-CG2 3.28Å; W171-I368 HydrophobicContact CB-CG2 4.33Å; W171-I368 HydrophobicContact CD2-CG2 4.29Å; W171-I368 HydrophobicContact CE3-CG2 3.59Å; W171-I368 HydrophobicContact CZ3-CG2 4.26Å; W171-I368 VanDerWaalsContact O-CD1 3.24Å; W171-I368 WeakPolarHBondContact O-CD1 3.46Å; W171-V370 HydrophobicContact CH2-CB 3.96Å; W171-V370 HydrophobicContact CH2-CG1 4.16Å; W171-V370 HydrophobicContact CZ3-CB 4.13Å; W171-V370 HydrophobicContact CZ3-CG1 4.26Å
172	T	95.5	Very high	96.2	Very high	49 Å²	49	62.1 Å²	62.1	30%	0.301	30%	0.301	S	S	.	.			trans	-89.5	150.9	165.6	73.9	0	0	0	0	110.1	K170 Q174 R175 L176	K170-T172 PolarHBondContact O-N 3.32Å; K170-T172 VanDerWaalsContact O-N 3.09Å; T172-Q174 PolarHBondContact O-N 2.97Å; T172-R175 PolarHBondContact O-N 3.02Å; T172-R175 VanDerWaalsContact O-N 3.13Å; T172-R175 WeakPolarHBondContact OG1-CB 3.32Å; T172-R175 WeakPolarHBondContact OG1-CG 3.39Å; T172-R175 PolarHBondContact OG1-N 2.67Å; T172-L176 WeakPolarHBondContact O-CB 3.47Å; T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 2.82Å
173	V	93.5	Very high	96.3	Very high	36 Å²	36	62.2 Å²	62.2	22%	0.218	30%	0.302	C	S	.	.	H	α-helix	trans	-51.3	-43.5	177.8	177.9	0	0	0	0	110.9	L177 I204 F263 T366 I368	V173-L177 VanDerWaalsContact O-CB 3.26Å; V173-L177 WeakPolarHBondContact O-CB 3.35Å; V173-L177 PolarHBondContact O-N 2.8Å; V173-I204 HydrophobicContact CG1-CD1 4.02Å; V173-I204 HydrophobicContact CG1-CG1 4.23Å; V173-I204 HydrophobicContact CG1-CG2 3.72Å; V173-F263 HydrophobicContact CG2-CZ 4.15Å; V173-T366 HydrophobicContact CG2-CG2 4.23Å; V173-I368 HydrophobicContact CG2-CD1 4.39Å
174	Q	92.9	Very high	96.5	Very high	129 Å²	129	61.4 Å²	61.4	60%	0.603	30%	0.298	S	S	*	.	H	α-helix	trans	-68.2	-42.1	-178.5	-61.1	78.8	5.9	0	0	112.6	T172 R178	T172-Q174 PolarHBondContact O-N 2.97Å; Q174-R178 WeakPolarHBondContact O-CB 3.49Å; Q174-R178 PolarHBondContact O-N 2.97Å; Q174-R178 VanDerWaalsContact O-N 3.08Å
175	R	96.5	Very high	96.7	Very high	122 Å²	122	56.2 Å²	56.2	46%	0.46	27%	0.273	S	S	.	.	H	α-helix	trans	-70.4	-41.8	178.5	-75.7	179.8	171.6	-163	-5.5	111.1	Q169 K170 T172 R178 K179	Q169-R175 WeakPolarHBondContact O-CD 3.49Å; Q169-R175 PolarHBondContact O-NH1 3.09Å; K170-R175 VanDerWaalsContact O-CB 3.25Å; K170-R175 WeakPolarHBondContact O-CB 3.47Å; T172-R175 PolarHBondContact O-N 3.02Å; T172-R175 VanDerWaalsContact O-N 3.13Å; T172-R175 WeakPolarHBondContact OG1-CB 3.32Å; T172-R175 WeakPolarHBondContact OG1-CG 3.39Å; T172-R175 PolarHBondContact OG1-N 2.67Å; R175-R178 PolarHBondContact O-N 2.93Å; R175-K179 WeakPolarHBondContact O-CB 3.24Å; R175-K179 PolarHBondContact O-N 3.26Å
176	L	96.8	Very high	96.7	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-43.9	175.2	-68.8	178.2	0	0	0	111.6	W171 T172 R178 K179 F180 L200 L232 F261 I368	W171-L176 HydrophobicContact CB-CD1 4.42Å; W171-L176 HydrophobicContact CG-CD2 4.42Å; T172-L176 WeakPolarHBondContact O-CB 3.47Å; T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 2.82Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.26Å; L176-K179 PolarHBondContact O-N 2.86Å; L176-F180 HydrophobicContact CD2-CD2 3.71Å; L176-F180 HydrophobicContact CD2-CE2 3.86Å; L176-F180 WeakPolarHBondContact O-CA 3.32Å; L176-F180 WeakPolarHBondContact O-CB 3.4Å; L176-F180 PolarHBondContact O-N 2.81Å; L176-L200 HydrophobicContact CB-CD2 4Å; L176-L232 HydrophobicContact CD2-CD2 4.08Å; L176-F261 HydrophobicContact CD1-CZ 4.21Å; L176-I368 HydrophobicContact CD1-CD1 3.72Å; L176-I368 HydrophobicContact CD1-CG2 4.31Å
177	L	95.5	Very high	96.7	Very high	67 Å²	67	54 Å²	54	35%	0.351	26%	0.259	S	S	.	.	H	α-helix	trans	-56.6	-45.8	173.5	179.4	58.9	0	0	0	111.6	V173 G181 K201 I204	V173-L177 VanDerWaalsContact O-CB 3.26Å; V173-L177 WeakPolarHBondContact O-CB 3.35Å; V173-L177 PolarHBondContact O-N 2.8Å; L177-G181 WeakPolarHBondContact O-CA 3.43Å; L177-G181 PolarHBondContact O-N 3.41Å; L177-K201 HydrophobicContact CD1-CB 3.56Å; L177-I204 HydrophobicContact CB-CD1 3.69Å; L177-I204 HydrophobicContact CD1-CD1 4.06Å; L177-I204 HydrophobicContact CG-CD1 4.38Å
178	R	95.6	Very high	96.6	Very high	206 Å²	206	54.9 Å²	54.9	78%	0.777	27%	0.268	S	S	*	.	H	α-helix	trans	-63.7	-46.9	-179.9	-168.8	-173.7	-54.9	-176.1	2.1	112.4	Q174 R175 L176	Q174-R178 WeakPolarHBondContact O-CB 3.49Å; Q174-R178 PolarHBondContact O-N 2.97Å; Q174-R178 VanDerWaalsContact O-N 3.08Å; R175-R178 PolarHBondContact O-N 2.93Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.26Å
179	K	96.7	Very high	96.6	Very high	89 Å²	89	54.3 Å²	54.3	39%	0.387	26%	0.259	S	S	.	.	H	α-helix	trans	-82.4	-39.7	-173.5	-171.5	173.7	173.8	-170.5	0	112.7	R175 L176 D235	R175-K179 WeakPolarHBondContact O-CB 3.24Å; R175-K179 PolarHBondContact O-N 3.26Å; L176-K179 PolarHBondContact O-N 2.86Å; K179-D235 IonicContact NZ-OD2 3.55Å
180	F	97.8	Very high	96.4	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-121	6	-169.2	-55.5	-71.7	0	0	0	114.3	L176 D182 V183 F185 L200 R228 K231 L232	L176-F180 HydrophobicContact CD2-CD2 3.71Å; L176-F180 HydrophobicContact CD2-CE2 3.86Å; L176-F180 WeakPolarHBondContact O-CA 3.32Å; L176-F180 WeakPolarHBondContact O-CB 3.4Å; L176-F180 PolarHBondContact O-N 2.81Å; F180-D182 PolarHBondContact O-N 2.99Å; F180-V183 HydrophobicContact CB-CB 4.31Å; F180-V183 HydrophobicContact CB-CG2 4.28Å; F180-V183 HydrophobicContact CD1-CG2 4.22Å; F180-V183 VanDerWaalsContact O-CB 3.28Å; F180-V183 WeakPolarHBondContact O-CB 3.46Å; F180-V183 PolarHBondContact O-N 2.97Å; F180-F185 HydrophobicContact CB-CE2 4.2Å; F180-F185 HydrophobicContact CB-CZ 4.48Å; F180-L200 HydrophobicContact CB-CD2 3.72Å; F180-L200 WeakPolarHBondContact O-CB 3.44Å; F180-R228 WeakPolarHBondContact CE1-O 3.46Å; F180-K231 HydrophobicContact CE1-CB 4.13Å; F180-K231 HydrophobicContact CZ-CB 4.14Å; F180-L232 HydrophobicContact CD2-CD2 4.24Å; F180-L232 HydrophobicContact CE1-CG 4.35Å; F180-L232 HydrophobicContact CE2-CD2 3.49Å; F180-L232 VanDerWaalsContact CE2-CD2 3.49Å; F180-L232 HydrophobicContact CE2-CG 4.04Å; F180-L232 HydrophobicContact CZ-CD2 3.74Å; F180-L232 HydrophobicContact CZ-CG 3.79Å
181	G	96.5	Very high	96.1	Very high	6 Å²	6	51.1 Å²	51.1	6%	0.062	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.8	-176	0	0	0	0	0	115.4	L177 L200 K201	L177-G181 WeakPolarHBondContact O-CA 3.43Å; L177-G181 PolarHBondContact O-N 3.41Å; G181-L200 PolarHBondContact O-N 3.3Å; G181-K201 WeakPolarHBondContact O-CB 3.12Å; G181-K201 WeakPolarHBondContact O-CD 3.41Å; G181-K201 WeakPolarHBondContact O-CG 3.42Å; G181-K201 PolarHBondContact O-N 3.43Å
182	D	97.6	Very high	95.8	Very high	68 Å²	68	57.4 Å²	57.4	36%	0.364	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.6	177.2	-87.6	-58.7	0	0	0	115.3	F180 K199 K201	F180-D182 PolarHBondContact O-N 2.99Å; D182-K199 VanDerWaalsContact O-CE 3.23Å; D182-K199 WeakPolarHBondContact O-CE 3.21Å; D182-K199 IonicContact OD1-NZ 2.57Å; D182-K199 PolarHBondContact OD1-NZ 3.13Å; D182-K201 WeakPolarHBondContact OD1-CE 3.2Å; D182-K201 IonicContact OD1-NZ 3.73Å; D182-K201 PolarHBondContact OD1-NZ 2.86Å; D182-K201 IonicContact OD2-NZ 2.64Å
183	V	98.1	Very high	95.6	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.024	29%	0.288	C	S	.	.	S	Bend	trans	-86.8	127.7	-180	-179.6	0	0	0	0	109.2	F180 F185 K199 L200 R226 R228 A229	F180-V183 HydrophobicContact CB-CB 4.31Å; F180-V183 HydrophobicContact CB-CG2 4.28Å; F180-V183 HydrophobicContact CD1-CG2 4.22Å; F180-V183 VanDerWaalsContact O-CB 3.28Å; F180-V183 WeakPolarHBondContact O-CB 3.46Å; F180-V183 PolarHBondContact O-N 2.97Å; V183-F185 HydrophobicContact CB-CE2 3.9Å; V183-F185 HydrophobicContact CG1-CD2 4.31Å; V183-F185 HydrophobicContact CG1-CE2 3.73Å; V183-F185 HydrophobicContact CG1-CZ 4.12Å; V183-F185 WeakPolarHBondContact O-CD2 3.44Å; V183-K199 WeakPolarHBondContact O-CA 3.34Å; V183-L200 PolarHBondContact O-N 3.03Å; V183-R226 VanDerWaalsContact CG1-NH1 3.35Å; V183-R228 HydrophobicContact CG2-CB 3.73Å; V183-A229 HydrophobicContact CG1-CB 4Å
184	P	97.9	Very high	95.6	Very high	55 Å²	55	63 Å²	63	36%	0.357	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.4	174.9	29.6	-32.8	0	0	0	110.9	K197 L198 R226	P184-K197 HydrophobicContact CB-CB 3.97Å; P184-K197 HydrophobicContact CB-CD 4.46Å; P184-L198 CarbonylContact C-O 3.56Å; P184-L198 VanDerWaalsContact CA-O 3.26Å; P184-L198 WeakPolarHBondContact CA-O 3.48Å; P184-R226 PolarHBondContact O-NH1 2.79Å; P184-R226 PolarHBondContact O-NH2 3.05Å
185	F	98.4	Very high	95.8	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145	171.8	-73	-95.3	0	0	0	110.2	F180 V183 K197 L198 L200 V218 D220 F223 A229 L232 F261	F180-F185 HydrophobicContact CB-CE2 4.2Å; F180-F185 HydrophobicContact CB-CZ 4.48Å; V183-F185 HydrophobicContact CB-CE2 3.9Å; V183-F185 HydrophobicContact CG1-CD2 4.31Å; V183-F185 HydrophobicContact CG1-CE2 3.73Å; V183-F185 HydrophobicContact CG1-CZ 4.12Å; V183-F185 WeakPolarHBondContact O-CD2 3.44Å; F185-K197 CarbonylContact O-C 3.57Å; F185-K197 WeakPolarHBondContact O-CA 3.34Å; F185-K197 WeakPolarHBondContact O-CB 3.25Å; F185-L198 PolarHBondContact N-O 3.39Å; F185-L198 PolarHBondContact O-N 2.75Å; F185-L200 HydrophobicContact CD2-CB 4.03Å; F185-L200 HydrophobicContact CD2-CD1 4.21Å; F185-L200 HydrophobicContact CE2-CB 4.12Å; F185-L200 HydrophobicContact CE2-CD1 4.47Å; F185-L200 HydrophobicContact CE2-CD2 4.24Å; F185-V218 HydrophobicContact CB-CG1 3.8Å; F185-V218 HydrophobicContact CB-CG2 4.14Å; F185-V218 HydrophobicContact CD1-CG1 4.33Å; F185-V218 HydrophobicContact CG-CG1 4.36Å; F185-D220 VanDerWaalsContact CA-OD2 3.3Å; F185-D220 WeakPolarHBondContact CA-OD2 3.35Å; F185-D220 HydrophobicContact CB-CB 4.49Å; F185-D220 HydrophobicContact CD1-CB 3.96Å; F185-F223 HydrophobicContact CE1-CB 4.48Å; F185-A229 HydrophobicContact CE1-CB 4.43Å; F185-A229 HydrophobicContact CZ-CB 4.35Å; F185-L232 HydrophobicContact CE1-CD1 3.83Å; F185-L232 HydrophobicContact CZ-CD1 3.98Å; F185-F261 AromaticContact CD1-CD1 3.94Å; F185-F261 HydrophobicContact CD1-CD1 3.94Å; F185-F261 HydrophobicContact CD1-CE1 4.41Å; F185-F261 AromaticContact CE1-CD1 3.85Å; F185-F261 HydrophobicContact CE1-CD1 3.85Å; F185-F261 HydrophobicContact CE1-CE1 4.23Å
186	K	98.4	Very high	95.8	Very high	13 Å²	13	54.3 Å²	54.3	6%	0.057	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.4	176.3	-176.7	-176.6	175.2	-171.3	0	110	G188 E189 V196 K197 V218 F219 D220	K186-G188 WeakPolarHBondContact CE-O 3.37Å; K186-G188 WeakPolarHBondContact CG-O 3.39Å; K186-E189 VanDerWaalsContact CE-CG 3.49Å; K186-E189 WeakPolarHBondContact CE-OE1 3.45Å; K186-E189 IonicContact NZ-OE1 2.69Å; K186-E189 PolarHBondContact NZ-OE1 2.81Å; K186-V196 WeakPolarHBondContact CA-O 3.37Å; K186-K197 HydrophobicContact CB-CG 4.45Å; K186-V218 VanDerWaalsContact O-CA 3.29Å; K186-V218 WeakPolarHBondContact O-CA 3.25Å; K186-F219 PolarHBondContact O-N 3.11Å; K186-D220 HydrophobicContact CB-CB 4.16Å; K186-D220 PolarHBondContact N-OD2 2.74Å; K186-D220 VanDerWaalsContact N-OD2 3.17Å
187	C	97.5	Very high	95.9	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	15.6	179.3	57.4	0	0	0	0	113.4	V196 Y217 V218	C187-V196 PolarHBondContact N-O 2.95Å; C187-V196 PolarHBondContact SG-O 3.1Å; C187-V196 VanDerWaalsContact SG-O 3.33Å; C187-Y217 CarbonylContact C-O 3.28Å; C187-Y217 WeakPolarHBondContact CA-O 3.38Å; C187-V218 HydrophobicContact CB-CG2 4.35Å
188	G	96.3	Very high	96	Very high	19 Å²	19	55.5 Å²	55.5	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.7	-172.1	179.8	0	0	0	0	0	112.2	K186 V196	K186-G188 WeakPolarHBondContact CE-O 3.37Å; K186-G188 WeakPolarHBondContact CG-O 3.39Å; G188-V196 PolarHBondContact O-N 3.06Å
189	E	95.2	Very high	96.1	Very high	44 Å²	44	49.4 Å²	49.4	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.2	173.2	-62.8	-170.5	174.2	0	0	109.1	V104 K186 Y194 N431	V104-E189 WeakPolarHBondContact CA-O 3.46Å; K186-E189 VanDerWaalsContact CE-CG 3.49Å; K186-E189 WeakPolarHBondContact CE-OE1 3.45Å; K186-E189 IonicContact NZ-OE1 2.69Å; K186-E189 PolarHBondContact NZ-OE1 2.81Å; E189-Y194 CarbonylContact C-O 3.49Å; E189-Y194 VanDerWaalsContact CA-O 3.26Å; E189-Y194 WeakPolarHBondContact CA-O 3.45Å; E189-N431 PolarHBondContact OE1-OD1 3.48Å; E189-N431 VanDerWaalsContact OE1-OD1 3.06Å; E189-N431 PolarHBondContact OE2-OD1 3.38Å; E189-N431 VanDerWaalsContact OE2-OD1 3.12Å
190	D	93.3	Very high	96.2	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.203	24%	0.244	C	C	.	.			trans	-92	-179.9	170.7	58.8	24.2	0	0	0	112.2	K103 D192 G193 Y194 V196	K103-D190 HydrophobicContact CB-CB 4.18Å; K103-D190 WeakPolarHBondContact O-CA 3.46Å; D190-D192 PolarHBondContact O-N 3.07Å; D190-D192 PolarHBondContact OD1-N 2.62Å; D190-G193 PolarHBondContact O-N 2.84Å; D190-G193 PolarHBondContact OD1-N 3.1Å; D190-Y194 PolarHBondContact N-O 2.9Å; D190-Y194 WeakPolarHBondContact OD1-CA 3.31Å; D190-Y194 WeakPolarHBondContact OD1-CB 3.46Å; D190-Y194 PolarHBondContact OD1-N 3.43Å; D190-V196 HydrophobicContact CB-CG2 4.15Å
191	D	90.8	Very high	96.1	Very high	116 Å²	116	47.7 Å²	47.7	62%	0.62	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.7	-178.1	-67.9	-48.4	0	0	0	113.6	P106	P106-D191 VanDerWaalsContact CG-CG 3.49Å; P106-D191 WeakPolarHBondContact CG-OD1 3.16Å; P106-D191 WeakPolarHBondContact CG-OD2 3.44Å
192	D	91.9	Very high	96.1	Very high	132 Å²	132	48.3 Å²	48.3	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.6	-179.8	-61.5	-49.8	0	0	0	112.6	D190 Y194	D190-D192 PolarHBondContact O-N 3.07Å; D190-D192 PolarHBondContact OD1-N 2.62Å; D192-Y194 VanDerWaalsContact C-N 3.35Å; D192-Y194 HydrophobicContact CB-CD2 3.56Å; D192-Y194 HydrophobicContact CB-CE2 3.6Å
193	G	90.3	Very high	96.1	Very high	38 Å²	38	45.1 Å²	45.1	39%	0.392	24%	0.238	S	C	.	.			trans	79.4	11.4	-177.9	0	0	0	0	0	114.3	D190	D190-G193 PolarHBondContact O-N 2.84Å; D190-G193 PolarHBondContact OD1-N 3.1Å
194	Y	94.5	Very high	96	Very high	165 Å²	165	45.2 Å²	45.2	65%	0.647	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-78.3	139.4	175.9	-62.8	-69.4	0	0	0	111	E189 D190 D192 V196	E189-Y194 CarbonylContact C-O 3.49Å; E189-Y194 VanDerWaalsContact CA-O 3.26Å; E189-Y194 WeakPolarHBondContact CA-O 3.45Å; D190-Y194 PolarHBondContact N-O 2.9Å; D190-Y194 WeakPolarHBondContact OD1-CA 3.31Å; D190-Y194 WeakPolarHBondContact OD1-CB 3.46Å; D190-Y194 PolarHBondContact OD1-N 3.43Å; D192-Y194 VanDerWaalsContact C-N 3.35Å; D192-Y194 HydrophobicContact CB-CD2 3.56Å; D192-Y194 HydrophobicContact CB-CE2 3.6Å; Y194-V196 PolarHBondContact O-N 3.02Å
195	S	96.2	Very high	95.8	Very high	59 Å²	59	45.1 Å²	45.1	41%	0.413	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	120.6	-179.8	-64.2	0	0	0	0	112.3
196	V	97.6	Very high	95.7	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.3	169.9	-176	0	0	0	0	108.8	A100 K103 V104 K186 C187 G188 D190 Y194	A100-V196 HydrophobicContact CB-CG1 3.95Å; K103-V196 HydrophobicContact CB-CG1 4.26Å; K103-V196 HydrophobicContact CB-CG2 3.58Å; K103-V196 HydrophobicContact CD-CG1 4.45Å; K103-V196 HydrophobicContact CD-CG2 4.24Å; V104-V196 HydrophobicContact CG2-CB 3.68Å; V104-V196 HydrophobicContact CG2-CG1 3.77Å; V104-V196 HydrophobicContact CG2-CG2 3.87Å; K186-V196 WeakPolarHBondContact CA-O 3.37Å; C187-V196 PolarHBondContact N-O 2.95Å; C187-V196 PolarHBondContact SG-O 3.1Å; C187-V196 VanDerWaalsContact SG-O 3.33Å; G188-V196 PolarHBondContact O-N 3.06Å; D190-V196 HydrophobicContact CB-CG2 4.15Å; Y194-V196 PolarHBondContact O-N 3.02Å
197	K	98	Very high	95.5	Very high	85 Å²	85	45.4 Å²	45.4	37%	0.37	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.9	-176.1	-53.9	-171.8	179	-178.1	0	112.9	P184 F185 K186	P184-K197 HydrophobicContact CB-CB 3.97Å; P184-K197 HydrophobicContact CB-CD 4.46Å; F185-K197 CarbonylContact O-C 3.57Å; F185-K197 WeakPolarHBondContact O-CA 3.34Å; F185-K197 WeakPolarHBondContact O-CB 3.25Å; K186-K197 HydrophobicContact CB-CG 4.45Å
198	L	97.9	Very high	95.2	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.9	170.9	-77	171.2	0	0	0	110.5	R96 I97 A100 P184 F185 L200 F203 L216	R96-L198 HydrophobicContact CB-CD2 4.14Å; I97-L198 HydrophobicContact CD1-CD1 3.52Å; I97-L198 HydrophobicContact CD1-CD2 4.14Å; I97-L198 HydrophobicContact CD1-CG 4.47Å; A100-L198 HydrophobicContact CB-CD1 3.84Å; A100-L198 HydrophobicContact CB-CD2 3.94Å; A100-L198 HydrophobicContact CB-CG 3.87Å; P184-L198 CarbonylContact C-O 3.56Å; P184-L198 VanDerWaalsContact CA-O 3.26Å; P184-L198 WeakPolarHBondContact CA-O 3.48Å; F185-L198 PolarHBondContact N-O 3.39Å; F185-L198 PolarHBondContact O-N 2.75Å; L198-L200 PolarHBondContact O-N 3.36Å; L198-F203 HydrophobicContact CD1-CD2 4.35Å; L198-L216 HydrophobicContact CD1-CD1 4.05Å
199	K	98.2	Very high	94.8	Very high	78 Å²	78	51.7 Å²	51.7	34%	0.339	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.9	166.8	-73.1	-173.3	163.9	-162.7	0	108.8	D182 V183 K201 Y202 F203	D182-K199 VanDerWaalsContact O-CE 3.23Å; D182-K199 WeakPolarHBondContact O-CE 3.21Å; D182-K199 IonicContact OD1-NZ 2.57Å; D182-K199 PolarHBondContact OD1-NZ 3.13Å; V183-K199 WeakPolarHBondContact O-CA 3.34Å; K199-K201 HydrophobicContact CB-CG 4.36Å; K199-K201 PolarHBondContact O-N 3.24Å; K199-K201 VanDerWaalsContact O-N 3.08Å; K199-Y202 HydrophobicContact CB-CD2 3.73Å; K199-Y202 HydrophobicContact CB-CE2 4.05Å; K199-Y202 HydrophobicContact CB-CG 4.48Å; K199-Y202 HydrophobicContact CD-CE2 4.05Å; K199-Y202 HydrophobicContact CG-CD2 4.42Å; K199-Y202 HydrophobicContact CG-CE2 4.34Å; K199-Y202 WeakPolarHBondContact O-CB 3.33Å; K199-Y202 PolarHBondContact O-N 2.64Å; K199-F203 PolarHBondContact O-N 3.31Å
200	L	97.5	Very high	94.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-54.5	-36.4	-173.6	-171	64.3	0	0	0	113.1	L176 F180 G181 V183 F185 L198 Y202 F203 I204 F263	L176-L200 HydrophobicContact CB-CD2 4Å; F180-L200 HydrophobicContact CB-CD2 3.72Å; F180-L200 WeakPolarHBondContact O-CB 3.44Å; G181-L200 PolarHBondContact O-N 3.3Å; V183-L200 PolarHBondContact O-N 3.03Å; F185-L200 HydrophobicContact CD2-CB 4.03Å; F185-L200 HydrophobicContact CD2-CD1 4.21Å; F185-L200 HydrophobicContact CE2-CB 4.12Å; F185-L200 HydrophobicContact CE2-CD1 4.47Å; F185-L200 HydrophobicContact CE2-CD2 4.24Å; L198-L200 PolarHBondContact O-N 3.36Å; L200-Y202 VanDerWaalsContact C-N 3.3Å; L200-Y202 PolarHBondContact O-N 3.47Å; L200-F203 HydrophobicContact CD1-CD1 4.48Å; L200-F203 WeakPolarHBondContact O-CB 3.16Å; L200-F203 PolarHBondContact O-N 3.24Å; L200-F203 VanDerWaalsContact O-N 3.13Å; L200-I204 HydrophobicContact CD1-CD1 4.46Å; L200-I204 HydrophobicContact CD1-CG1 4.48Å; L200-I204 HydrophobicContact CD2-CD1 4.31Å; L200-I204 HydrophobicContact CG-CD1 3.9Å; L200-I204 HydrophobicContact CG-CG1 4.32Å; L200-I204 WeakPolarHBondContact O-CG1 3.35Å; L200-I204 PolarHBondContact O-N 3.28Å; L200-F263 HydrophobicContact CD1-CD1 3.79Å; L200-F263 HydrophobicContact CD1-CE1 3.85Å
201	K	95.9	Very high	94.8	Very high	56 Å²	56	53.5 Å²	53.5	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-36.6	175.8	71.3	-167.4	-177.8	-172.4	0	114	L177 G181 D182 K199 F203 D205	L177-K201 HydrophobicContact CD1-CB 3.56Å; G181-K201 WeakPolarHBondContact O-CB 3.12Å; G181-K201 WeakPolarHBondContact O-CD 3.41Å; G181-K201 WeakPolarHBondContact O-CG 3.42Å; G181-K201 PolarHBondContact O-N 3.43Å; D182-K201 WeakPolarHBondContact OD1-CE 3.2Å; D182-K201 IonicContact OD1-NZ 3.73Å; D182-K201 PolarHBondContact OD1-NZ 2.86Å; D182-K201 IonicContact OD2-NZ 2.64Å; K199-K201 HydrophobicContact CB-CG 4.36Å; K199-K201 PolarHBondContact O-N 3.24Å; K199-K201 VanDerWaalsContact O-N 3.08Å; K201-F203 VanDerWaalsContact C-N 3.34Å; K201-D205 PolarHBondContact O-N 3.24Å
202	Y	97.4	Very high	95.1	Very high	19 Å²	19	48.4 Å²	48.4	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-72.7	-34.8	176.6	-60.2	-40.2	0	0	0	111	K92 T93 R96 K199 L200 Y206	K92-Y202 WeakPolarHBondContact CD-OH 3.23Å; K92-Y202 WeakPolarHBondContact CE-OH 3.42Å; K92-Y202 PolarHBondContact NZ-OH 3.34Å; T93-Y202 HydrophobicContact CG2-CD1 3.97Å; T93-Y202 WeakPolarHBondContact OG1-CD1 3.25Å; R96-Y202 HydrophobicContact CB-CD2 4.17Å; R96-Y202 HydrophobicContact CG-CD2 4.14Å; R96-Y202 HydrophobicContact CG-CE2 4.01Å; K199-Y202 HydrophobicContact CB-CD2 3.73Å; K199-Y202 HydrophobicContact CB-CE2 4.05Å; K199-Y202 HydrophobicContact CB-CG 4.48Å; K199-Y202 HydrophobicContact CD-CE2 4.05Å; K199-Y202 HydrophobicContact CG-CD2 4.42Å; K199-Y202 HydrophobicContact CG-CE2 4.34Å; K199-Y202 WeakPolarHBondContact O-CB 3.33Å; K199-Y202 PolarHBondContact O-N 2.64Å; L200-Y202 VanDerWaalsContact C-N 3.3Å; L200-Y202 PolarHBondContact O-N 3.47Å; Y202-Y206 WeakPolarHBondContact O-CB 3.38Å; Y202-Y206 PolarHBondContact O-N 2.94Å
203	F	97.5	Very high	95.3	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-68.4	-40.3	176.5	-171.2	-108.3	0	0	0	112	L198 K199 L200 K201 Y206 I207 L216 V218 F263	L198-F203 HydrophobicContact CD1-CD2 4.35Å; K199-F203 PolarHBondContact O-N 3.31Å; L200-F203 HydrophobicContact CD1-CD1 4.48Å; L200-F203 WeakPolarHBondContact O-CB 3.16Å; L200-F203 PolarHBondContact O-N 3.24Å; L200-F203 VanDerWaalsContact O-N 3.13Å; K201-F203 VanDerWaalsContact C-N 3.34Å; F203-Y206 HydrophobicContact CD2-CD1 4.1Å; F203-Y206 HydrophobicContact CE2-CD1 4.05Å; F203-Y206 HydrophobicContact CE2-CE1 4.27Å; F203-Y206 VanDerWaalsContact O-CB 3.31Å; F203-Y206 WeakPolarHBondContact O-CB 3.28Å; F203-Y206 PolarHBondContact O-N 3.47Å; F203-I207 HydrophobicContact CD1-CD1 3.9Å; F203-I207 HydrophobicContact CD1-CG1 4.44Å; F203-I207 HydrophobicContact CE1-CD1 3.61Å; F203-I207 HydrophobicContact CE1-CG1 4.17Å; F203-I207 HydrophobicContact CZ-CD1 4.3Å; F203-I207 HydrophobicContact CZ-CG1 4.45Å; F203-I207 WeakPolarHBondContact O-CG1 3.46Å; F203-I207 PolarHBondContact O-N 3.05Å; F203-L216 HydrophobicContact CE2-CB 4.17Å; F203-L216 WeakPolarHBondContact CE2-O 3.25Å; F203-L216 WeakPolarHBondContact CZ-O 3.39Å; F203-V218 HydrophobicContact CD1-CG2 3.59Å; F203-V218 HydrophobicContact CD2-CG2 4.01Å; F203-V218 HydrophobicContact CE1-CB 4.07Å; F203-V218 HydrophobicContact CE1-CG2 3.48Å; F203-V218 VanDerWaalsContact CE1-CG2 3.48Å; F203-V218 HydrophobicContact CE2-CG2 3.94Å; F203-V218 HydrophobicContact CG-CG2 3.84Å; F203-V218 HydrophobicContact CZ-CB 4.23Å; F203-V218 HydrophobicContact CZ-CG2 3.69Å; F203-F263 HydrophobicContact CD1-CD1 4.31Å; F203-F263 HydrophobicContact CE1-CB 4.45Å; F203-F263 HydrophobicContact CE1-CD1 4.32Å; F203-F263 HydrophobicContact CE1-CD2 4.41Å; F203-F263 HydrophobicContact CE1-CG 4.13Å; F203-F263 VanDerWaalsContact CE1-O 3.24Å; F203-F263 WeakPolarHBondContact CE1-O 3.5Å; F203-F263 WeakPolarHBondContact CZ-O 3.38Å
204	I	95.7	Very high	95.6	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-48.2	174.9	-68.1	172.5	0	0	0	110.8	V173 L177 L200 Y206 I207 D208 F263	V173-I204 HydrophobicContact CG1-CD1 4.02Å; V173-I204 HydrophobicContact CG1-CG1 4.23Å; V173-I204 HydrophobicContact CG1-CG2 3.72Å; L177-I204 HydrophobicContact CB-CD1 3.69Å; L177-I204 HydrophobicContact CD1-CD1 4.06Å; L177-I204 HydrophobicContact CG-CD1 4.38Å; L200-I204 HydrophobicContact CD1-CD1 4.46Å; L200-I204 HydrophobicContact CD1-CG1 4.48Å; L200-I204 HydrophobicContact CD2-CD1 4.31Å; L200-I204 HydrophobicContact CG-CD1 3.9Å; L200-I204 HydrophobicContact CG-CG1 4.32Å; L200-I204 WeakPolarHBondContact O-CG1 3.35Å; L200-I204 PolarHBondContact O-N 3.28Å; I204-Y206 PolarHBondContact O-N 3.12Å; I204-Y206 VanDerWaalsContact O-N 3.12Å; I204-I207 WeakPolarHBondContact O-CB 3.49Å; I204-I207 PolarHBondContact O-N 2.94Å; I204-I207 VanDerWaalsContact O-N 3.09Å; I204-D208 PolarHBondContact O-N 2.82Å; I204-F263 HydrophobicContact CD1-CE1 4.18Å; I204-F263 HydrophobicContact CG1-CE1 3.89Å; I204-F263 HydrophobicContact CG1-CZ 4.03Å
205	D	93.5	Very high	95.8	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	17%	0.167	S	C	.	.	H	α-helix	trans	-53.9	-34.6	172.7	-71	-7	0	0	0	111.7	M89 T93 K201 C209	M89-D205 HydrophobicContact CG-CB 4.23Å; T93-D205 HydrophobicContact CG2-CB 3.63Å; T93-D205 WeakPolarHBondContact CG2-OD2 3.16Å; T93-D205 PolarHBondContact OG1-OD2 3.49Å; K201-D205 PolarHBondContact O-N 3.24Å; D205-C209 PolarHBondContact O-SG 3.23Å
206	Y	95.9	Very high	95.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-70.8	-44.9	177.6	162.9	-102.5	0	0	0	112.5	I97 Y202 F203 I204 D208 C209 Q210 D212 P215 L216	I97-Y206 HydrophobicContact CD1-CD2 4.41Å; I97-Y206 HydrophobicContact CD1-CG 4.12Å; I97-Y206 HydrophobicContact CG1-CD2 4.41Å; I97-Y206 HydrophobicContact CG2-CD2 3.65Å; I97-Y206 HydrophobicContact CG2-CE2 4.06Å; I97-Y206 HydrophobicContact CG2-CG 4.41Å; Y202-Y206 WeakPolarHBondContact O-CB 3.38Å; Y202-Y206 PolarHBondContact O-N 2.94Å; F203-Y206 HydrophobicContact CD2-CD1 4.1Å; F203-Y206 HydrophobicContact CE2-CD1 4.05Å; F203-Y206 HydrophobicContact CE2-CE1 4.27Å; F203-Y206 VanDerWaalsContact O-CB 3.31Å; F203-Y206 WeakPolarHBondContact O-CB 3.28Å; F203-Y206 PolarHBondContact O-N 3.47Å; I204-Y206 PolarHBondContact O-N 3.12Å; I204-Y206 VanDerWaalsContact O-N 3.12Å; Y206-D208 PolarHBondContact O-N 3.07Å; Y206-C209 PolarHBondContact O-N 3.49Å; Y206-C209 VanDerWaalsContact O-N 3.13Å; Y206-Q210 HydrophobicContact CD2-CB 3.72Å; Y206-Q210 HydrophobicContact CD2-CG 4.38Å; Y206-Q210 HydrophobicContact CE1-CB 4.38Å; Y206-Q210 HydrophobicContact CE1-CG 4.13Å; Y206-Q210 HydrophobicContact CE2-CB 3.34Å; Y206-Q210 HydrophobicContact CE2-CG 4Å; Y206-Q210 HydrophobicContact CG-CB 4.39Å; Y206-Q210 VanDerWaalsContact O-CB 3.22Å; Y206-Q210 WeakPolarHBondContact O-CB 3.21Å; Y206-Q210 VanDerWaalsContact O-CG 3.27Å; Y206-Q210 WeakPolarHBondContact O-CG 3.26Å; Y206-Q210 PolarHBondContact O-N 3.3Å; Y206-D212 VanDerWaalsContact CE2-OD2 3.28Å; Y206-D212 WeakPolarHBondContact CE2-OD2 3.21Å; Y206-D212 VanDerWaalsContact CZ-OD2 3.31Å; Y206-D212 PolarHBondContact OH-OD2 2.83Å; Y206-P215 HydrophobicContact CE1-CB 4.25Å; Y206-P215 WeakPolarHBondContact OH-CA 3.42Å; Y206-P215 VanDerWaalsContact OH-CB 3.27Å; Y206-P215 WeakPolarHBondContact OH-CB 3.46Å; Y206-L216 HydrophobicContact CE1-CB 3.74Å; Y206-L216 HydrophobicContact CE1-CG 4.42Å; Y206-L216 PolarHBondContact OH-N 2.82Å
207	I	94.4	Very high	95.9	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.092	15%	0.151	C	C	.	.	H	α-helix	trans	-52.7	-45.3	176	-73.4	173.3	0	0	0	110.6	F203 I204 C209 F263 P265 T366	F203-I207 HydrophobicContact CD1-CD1 3.9Å; F203-I207 HydrophobicContact CD1-CG1 4.44Å; F203-I207 HydrophobicContact CE1-CD1 3.61Å; F203-I207 HydrophobicContact CE1-CG1 4.17Å; F203-I207 HydrophobicContact CZ-CD1 4.3Å; F203-I207 HydrophobicContact CZ-CG1 4.45Å; F203-I207 WeakPolarHBondContact O-CG1 3.46Å; F203-I207 PolarHBondContact O-N 3.05Å; I204-I207 WeakPolarHBondContact O-CB 3.49Å; I204-I207 PolarHBondContact O-N 2.94Å; I204-I207 VanDerWaalsContact O-N 3.09Å; I207-C209 PolarHBondContact O-N 2.82Å; I207-F263 HydrophobicContact CD1-CD2 3.99Å; I207-F263 HydrophobicContact CD1-CE1 4.43Å; I207-F263 HydrophobicContact CD1-CE2 3.39Å; I207-F263 HydrophobicContact CD1-CZ 3.64Å; I207-P265 HydrophobicContact CB-CB 4.41Å; I207-P265 HydrophobicContact CG1-CB 4.05Å; I207-P265 HydrophobicContact CG1-CG 4.27Å; I207-P265 HydrophobicContact CG2-CB 4.1Å; I207-T366 HydrophobicContact CG2-CG2 4.44Å
208	D	90.4	Very high	95.9	Very high	112 Å²	112	27.1 Å²	27.1	60%	0.599	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.1	-175.1	-63	-22.3	0	0	0	113.9	I204 Y206	I204-D208 PolarHBondContact O-N 2.82Å; Y206-D208 PolarHBondContact O-N 3.07Å
209	C	89.8	Confident	95.9	Very high	44 Å²	44	29.4 Å²	29.4	30%	0.297	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-16.8	-167.1	-55.8	0	0	0	0	114.8	A87 M89 D205 Y206 I207	A87-C209 PolarHBondContact O-SG 3.07Å; M89-C209 HydrophobicContact CE-CB 3.89Å; M89-C209 HydrophobicContact CG-CB 4.13Å; M89-C209 HydrophobicContact SD-CB 4.48Å; D205-C209 PolarHBondContact O-SG 3.23Å; Y206-C209 PolarHBondContact O-N 3.49Å; Y206-C209 VanDerWaalsContact O-N 3.13Å; I207-C209 PolarHBondContact O-N 2.82Å
210	Q	93.2	Very high	95.9	Very high	22 Å²	22	25.7 Å²	25.7	10%	0.103	13%	0.127	C	C	.	.			trans	-74.4	150.5	-170.6	67.2	79.6	14.6	0	0	112.8	Y206	Y206-Q210 HydrophobicContact CD2-CB 3.72Å; Y206-Q210 HydrophobicContact CD2-CG 4.38Å; Y206-Q210 HydrophobicContact CE1-CB 4.38Å; Y206-Q210 HydrophobicContact CE1-CG 4.13Å; Y206-Q210 HydrophobicContact CE2-CB 3.34Å; Y206-Q210 HydrophobicContact CE2-CG 4Å; Y206-Q210 HydrophobicContact CG-CB 4.39Å; Y206-Q210 VanDerWaalsContact O-CB 3.22Å; Y206-Q210 WeakPolarHBondContact O-CB 3.21Å; Y206-Q210 VanDerWaalsContact O-CG 3.27Å; Y206-Q210 WeakPolarHBondContact O-CG 3.26Å; Y206-Q210 PolarHBondContact O-N 3.3Å
211	K	94.3	Very high	95.9	Very high	97 Å²	97	27.3 Å²	27.3	42%	0.422	14%	0.138	S	C	.	.			trans	-128.7	22.2	172	-68.3	-165	163.2	-136.7	0	112.5	D114 C119 D120	D114-K211 WeakPolarHBondContact CB-O 3.36Å; C119-K211 HydrophobicContact CB-CB 4.05Å; C119-K211 WeakPolarHBondContact CB-O 3.34Å; D120-K211 IonicContact OD1-NZ 3.52Å; D120-K211 PolarHBondContact OD1-NZ 3.43Å
212	D	96.3	Very high	95.9	Very high	9 Å²	9	26 Å²	26	5%	0.048	14%	0.136	C	C	.	.			trans	-65.9	147.8	-175.8	-58.3	-23.8	0	0	0	110.7	K101 W113 Y206 P215 R267	K101-D212 WeakPolarHBondContact CE-OD2 3.28Å; K101-D212 IonicContact NZ-OD1 3.85Å; K101-D212 PolarHBondContact NZ-OD1 3.26Å; K101-D212 IonicContact NZ-OD2 3.17Å; K101-D212 PolarHBondContact NZ-OD2 3.13Å; W113-D212 HydrophobicContact CB-CB 4.16Å; W113-D212 WeakPolarHBondContact CB-OD1 3.29Å; W113-D212 HydrophobicContact CE3-CB 4.22Å; Y206-D212 VanDerWaalsContact CE2-OD2 3.28Å; Y206-D212 WeakPolarHBondContact CE2-OD2 3.21Å; Y206-D212 VanDerWaalsContact CZ-OD2 3.31Å; Y206-D212 PolarHBondContact OH-OD2 2.83Å; D212-P215 HydrophobicContact CB-CB 4.4Å; D212-P215 HydrophobicContact CB-CG 4.23Å; D212-R267 VanDerWaalsContact O-CZ 3.29Å; D212-R267 PolarHBondContact O-NE 3.25Å; D212-R267 PolarHBondContact O-NH2 3.11Å
213	D	96.5	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-63.2	-55.5	176.9	-68.7	-26.8	0	0	0	110.5	W113 D114 V115 L116 R117 L118 R267 H314	W113-D213 PolarHBondContact O-N 3.47Å; D114-D213 VanDerWaalsContact C-OD2 3.29Å; D114-D213 WeakPolarHBondContact CA-OD2 3.34Å; V115-D213 PolarHBondContact N-OD2 3.13Å; L116-D213 PolarHBondContact N-OD2 3.27Å; R117-D213 PolarHBondContact N-OD1 2.88Å; L118-D213 HydrophobicContact CB-CB 4.31Å; L118-D213 HydrophobicContact CD1-CB 3.88Å; L118-D213 HydrophobicContact CG-CB 4.08Å; L118-D213 PolarHBondContact N-OD1 3.03Å; D213-R267 WeakPolarHBondContact O-CB 3.29Å; D213-H314 WeakPolarHBondContact CB-NE2 3.45Å; D213-H314 IonicContact OD2-CD2 3.8Å; D213-H314 IonicContact OD2-NE2 2.85Å; D213-H314 PolarHBondContact OD2-NE2 3.42Å; D213-H314 VanDerWaalsContact OD2-NE2 3.13Å
214	S	97	Very high	95.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-116.5	97	168.5	-172.7	0	0	0	0	109.2	E317	S214-E317 WeakPolarHBondContact CB-OE2 3.24Å; S214-E317 PolarHBondContact OG-OE2 2.93Å
215	P	97.8	Very high	95.4	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.039	17%	0.169	C	C	.	.			trans	-66.2	155.9	-177.1	-23.3	34.7	0	0	0	113.6	Y206 D212 Y217 P265 R267	Y206-P215 HydrophobicContact CE1-CB 4.25Å; Y206-P215 WeakPolarHBondContact OH-CA 3.42Å; Y206-P215 VanDerWaalsContact OH-CB 3.27Å; Y206-P215 WeakPolarHBondContact OH-CB 3.46Å; D212-P215 HydrophobicContact CB-CB 4.4Å; D212-P215 HydrophobicContact CB-CG 4.23Å; P215-Y217 PolarHBondContact O-N 2.63Å; P215-P265 HydrophobicContact CB-CG 3.46Å; P215-P265 VanDerWaalsContact CB-CG 3.46Å; P215-P265 HydrophobicContact CG-CG 3.92Å; P215-R267 HydrophobicContact CG-CB 4.31Å
216	L	98	Very high	95.5	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	16%	0.164	C	C	.	.			trans	-53.3	140.5	168.8	-68.2	176.1	0	0	0	110.6	A100 K101 V104 W113 L198 F203 Y206	A100-L216 HydrophobicContact CB-CD1 4.14Å; K101-L216 HydrophobicContact CG-CD1 3.94Å; K101-L216 HydrophobicContact CG-CG 4.26Å; V104-L216 HydrophobicContact CB-CD2 3.95Å; V104-L216 HydrophobicContact CG1-CD2 4.01Å; V104-L216 HydrophobicContact CG2-CD2 4Å; W113-L216 HydrophobicContact CH2-CD2 3.6Å; W113-L216 HydrophobicContact CH2-CG 4.19Å; W113-L216 HydrophobicContact CZ3-CD2 3.96Å; W113-L216 HydrophobicContact CZ3-CG 4.13Å; L198-L216 HydrophobicContact CD1-CD1 4.05Å; F203-L216 HydrophobicContact CE2-CB 4.17Å; F203-L216 WeakPolarHBondContact CE2-O 3.25Å; F203-L216 WeakPolarHBondContact CZ-O 3.39Å; Y206-L216 HydrophobicContact CE1-CB 3.74Å; Y206-L216 HydrophobicContact CE1-CG 4.42Å; Y206-L216 PolarHBondContact OH-N 2.82Å
217	Y	98.4	Very high	95.3	Very high	28 Å²	28	37.7 Å²	37.7	11%	0.11	20%	0.196	C	C	.	.			trans	-128.9	124	-172.7	-171.1	-156.2	0	0	0	111.7	C187 P215 F219 V262 F263 K290 N363	C187-Y217 CarbonylContact C-O 3.28Å; C187-Y217 WeakPolarHBondContact CA-O 3.38Å; P215-Y217 PolarHBondContact O-N 2.63Å; Y217-F219 HydrophobicContact CD1-CD2 4.4Å; Y217-F219 HydrophobicContact CE1-CD2 4.09Å; Y217-F219 PolarHBondContact O-N 3.3Å; Y217-V262 HydrophobicContact CD2-CG1 4.48Å; Y217-V262 HydrophobicContact CE1-CG1 3.93Å; Y217-V262 HydrophobicContact CE2-CG1 3.46Å; Y217-V262 VanDerWaalsContact CE2-CG1 3.46Å; Y217-V262 WeakPolarHBondContact OH-CG1 3.36Å; Y217-F263 WeakPolarHBondContact CD2-O 3.3Å; Y217-K290 PolarHBondContact OH-NZ 3.24Å; Y217-N363 VanDerWaalsContact CE2-ND2 3.34Å; Y217-N363 WeakPolarHBondContact CE2-ND2 3.31Å; Y217-N363 PolarHBondContact OH-ND2 2.88Å
218	V	98.5	Very high	95.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121.1	173.7	165.9	0	0	0	0	109.4	F185 K186 C187 F203 D220 F261 V262 F263	F185-V218 HydrophobicContact CB-CG1 3.8Å; F185-V218 HydrophobicContact CB-CG2 4.14Å; F185-V218 HydrophobicContact CD1-CG1 4.33Å; F185-V218 HydrophobicContact CG-CG1 4.36Å; K186-V218 VanDerWaalsContact O-CA 3.29Å; K186-V218 WeakPolarHBondContact O-CA 3.25Å; C187-V218 HydrophobicContact CB-CG2 4.35Å; F203-V218 HydrophobicContact CD1-CG2 3.59Å; F203-V218 HydrophobicContact CD2-CG2 4.01Å; F203-V218 HydrophobicContact CE1-CB 4.07Å; F203-V218 HydrophobicContact CE1-CG2 3.48Å; F203-V218 VanDerWaalsContact CE1-CG2 3.48Å; F203-V218 HydrophobicContact CE2-CG2 3.94Å; F203-V218 HydrophobicContact CG-CG2 3.84Å; F203-V218 HydrophobicContact CZ-CB 4.23Å; F203-V218 HydrophobicContact CZ-CG2 3.69Å; V218-D220 HydrophobicContact CG1-CB 4.47Å; V218-F261 HydrophobicContact CG1-CD1 4.06Å; V218-F261 HydrophobicContact CG1-CE1 4.31Å; V218-V262 WeakPolarHBondContact O-CA 3.08Å; V218-F263 HydrophobicContact CB-CB 4.1Å; V218-F263 VanDerWaalsContact CB-O 3.32Å; V218-F263 WeakPolarHBondContact CB-O 3.28Å; V218-F263 HydrophobicContact CG1-CB 4.35Å; V218-F263 PolarHBondContact N-O 2.84Å; V218-F263 PolarHBondContact O-N 3.05Å
219	F	98.1	Very high	95.7	Very high	57 Å²	57	37.5 Å²	37.5	25%	0.25	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	77.6	178.3	-153.7	-88.8	0	0	0	108.7	K186 Y217 W260 V262 T371	K186-F219 PolarHBondContact O-N 3.11Å; Y217-F219 HydrophobicContact CD1-CD2 4.4Å; Y217-F219 HydrophobicContact CE1-CD2 4.09Å; Y217-F219 PolarHBondContact O-N 3.3Å; F219-W260 HydrophobicContact CD1-CB 4.22Å; F219-W260 AromaticContact CD1-CD1 3.18Å; F219-W260 AromaticContact CD1-CG 3.79Å; F219-W260 HydrophobicContact CD1-CG 3.79Å; F219-W260 AromaticContact CD1-NE1 3.68Å; F219-W260 HydrophobicContact CE1-CB 3.96Å; F219-W260 AromaticContact CE1-CD1 3.08Å; F219-W260 AromaticContact CE1-CD2 3.79Å; F219-W260 HydrophobicContact CE1-CD2 3.79Å; F219-W260 AromaticContact CE1-CE2 3.8Å; F219-W260 AromaticContact CE1-CG 3.36Å; F219-W260 HydrophobicContact CE1-CG 3.36Å; F219-W260 AromaticContact CE1-NE1 3.32Å; F219-W260 VanDerWaalsContact CE1-NE1 3.32Å; F219-W260 HydrophobicContact CZ-CB 4.2Å; F219-W260 HydrophobicContact CZ-CD2 4.28Å; F219-W260 AromaticContact CZ-CG 3.95Å; F219-W260 HydrophobicContact CZ-CG 3.95Å; F219-V262 HydrophobicContact CD2-CG1 4.05Å; F219-V262 HydrophobicContact CD2-CG2 3.89Å; F219-V262 HydrophobicContact CE2-CG1 4.38Å; F219-V262 HydrophobicContact CE2-CG2 3.85Å; F219-T371 HydrophobicContact CZ-CG2 4.43Å
220	D	98.1	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.2	-168.8	-166	-28.4	0	0	0	112	F185 K186 V218 S222 F223 R226 W260 F261	F185-D220 VanDerWaalsContact CA-OD2 3.3Å; F185-D220 WeakPolarHBondContact CA-OD2 3.35Å; F185-D220 HydrophobicContact CB-CB 4.49Å; F185-D220 HydrophobicContact CD1-CB 3.96Å; K186-D220 HydrophobicContact CB-CB 4.16Å; K186-D220 PolarHBondContact N-OD2 2.74Å; K186-D220 VanDerWaalsContact N-OD2 3.17Å; V218-D220 HydrophobicContact CG1-CB 4.47Å; D220-S222 WeakPolarHBondContact OD1-CA 2.96Å; D220-S222 WeakPolarHBondContact OD1-CB 3.16Å; D220-S222 PolarHBondContact OD1-N 3.17Å; D220-S222 PolarHBondContact OD1-OG 2.93Å; D220-F223 VanDerWaalsContact O-CD1 3.22Å; D220-F223 WeakPolarHBondContact O-CD1 3.2Å; D220-F223 PolarHBondContact OD1-N 3.17Å; D220-R226 IonicContact OD1-NH2 2.81Å; D220-R226 IonicContact OD2-CZ 3.13Å; D220-R226 IonicContact OD2-NE 2.82Å; D220-R226 IonicContact OD2-NH2 3.95Å; D220-R226 PolarHBondContact OD2-NH2 2.9Å; D220-W260 WeakPolarHBondContact O-CA 3.29Å; D220-F261 PolarHBondContact N-O 3.5Å; D220-F261 PolarHBondContact O-N 3.04Å
221	S	96.8	Very high	96.2	Very high	34 Å²	34	45 Å²	45	24%	0.238	21%	0.213	C	C	.	.	S	Bend	trans	-88.4	-15.1	175.4	59	0	0	0	0	115.1	K259	S221-K259 WeakPolarHBondContact CA-O 3.25Å
222	S	95.6	Very high	96.4	Very high	28 Å²	28	40.4 Å²	40.4	20%	0.196	19%	0.193	C	C	.	.			trans	-91.5	-6	-172.8	71.3	0	0	0	0	113.1	D220 G224 R225 R226	D220-S222 WeakPolarHBondContact OD1-CA 2.96Å; D220-S222 WeakPolarHBondContact OD1-CB 3.16Å; D220-S222 PolarHBondContact OD1-N 3.17Å; D220-S222 PolarHBondContact OD1-OG 2.93Å; S222-G224 VanDerWaalsContact C-N 3.27Å; S222-G224 PolarHBondContact O-N 3.3Å; S222-R225 PolarHBondContact O-N 2.76Å; S222-R226 WeakPolarHBondContact O-CG 3.21Å; S222-R226 PolarHBondContact O-N 2.84Å; S222-R226 PolarHBondContact OG-NE 3.08Å
223	F	96	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-53.8	-41.3	-172.1	75.7	-80.8	0	0	0	112.8	F185 D220 R225 R226 A229 K230 L232 L233 Y236 K259 F261	F185-F223 HydrophobicContact CE1-CB 4.48Å; D220-F223 VanDerWaalsContact O-CD1 3.22Å; D220-F223 WeakPolarHBondContact O-CD1 3.2Å; D220-F223 PolarHBondContact OD1-N 3.17Å; F223-R225 PolarHBondContact O-N 3.16Å; F223-R226 PolarHBondContact O-N 3.05Å; F223-A229 HydrophobicContact CB-CB 4.03Å; F223-A229 CarbonylContact O-C 3.55Å; F223-A229 VanDerWaalsContact O-C 3.28Å; F223-A229 WeakPolarHBondContact O-CB 3.27Å; F223-K230 WeakPolarHBondContact O-CA 3.48Å; F223-K230 PolarHBondContact O-N 3.11Å; F223-L232 HydrophobicContact CD2-CB 3.97Å; F223-L232 HydrophobicContact CD2-CD1 4.1Å; F223-L232 HydrophobicContact CE2-CB 4.18Å; F223-L233 HydrophobicContact CD2-CD2 4.47Å; F223-L233 HydrophobicContact CE2-CD2 3.52Å; F223-L233 HydrophobicContact CE2-CG 4Å; F223-L233 HydrophobicContact CZ-CD2 3.89Å; F223-Y236 HydrophobicContact CE2-CE1 4.26Å; F223-Y236 HydrophobicContact CZ-CE1 4.32Å; F223-K259 HydrophobicContact CE1-CB 4.43Å; F223-K259 HydrophobicContact CE1-CD 4.32Å; F223-K259 HydrophobicContact CE1-CG 3.96Å; F223-K259 HydrophobicContact CZ-CD 4.18Å; F223-K259 HydrophobicContact CZ-CG 4.29Å; F223-F261 HydrophobicContact CD1-CB 4.04Å; F223-F261 HydrophobicContact CE1-CB 4.28Å; F223-F261 HydrophobicContact CG-CB 4.15Å
224	G	93.6	Very high	96.5	Very high	18 Å²	18	48.2 Å²	48.2	19%	0.186	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-66.5	-18.8	179.2	0	0	0	0	0	115.2	S222 K230	S222-G224 VanDerWaalsContact C-N 3.27Å; S222-G224 PolarHBondContact O-N 3.3Å; G224-K230 WeakPolarHBondContact O-CB 3.11Å
225	R	91.7	Very high	96.5	Very high	167 Å²	167	48.2 Å²	48.2	63%	0.63	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-97.3	-8.2	179.7	-63	178.8	179.7	159.1	-1.9	113.1	S222 F223 S252	S222-R225 PolarHBondContact O-N 2.76Å; F223-R225 PolarHBondContact O-N 3.16Å; R225-S252 PolarHBondContact NH2-O 3.33Å
226	R	94.7	Very high	96.6	Very high	47 Å²	47	48.8 Å²	48.8	18%	0.177	24%	0.235	C	C	.	.	S	Bend	trans	-102	128.7	-174.9	-63.9	-176.7	-60.8	114.3	-5.2	110.9	V183 P184 D220 S222 F223 R228 A229 K230	V183-R226 VanDerWaalsContact CG1-NH1 3.35Å; P184-R226 PolarHBondContact O-NH1 2.79Å; P184-R226 PolarHBondContact O-NH2 3.05Å; D220-R226 IonicContact OD1-NH2 2.81Å; D220-R226 IonicContact OD2-CZ 3.13Å; D220-R226 IonicContact OD2-NE 2.82Å; D220-R226 IonicContact OD2-NH2 3.95Å; D220-R226 PolarHBondContact OD2-NH2 2.9Å; S222-R226 WeakPolarHBondContact O-CG 3.21Å; S222-R226 PolarHBondContact O-N 2.84Å; S222-R226 PolarHBondContact OG-NE 3.08Å; F223-R226 PolarHBondContact O-N 3.05Å; R226-R228 VanDerWaalsContact C-N 3.32Å; R226-R228 PolarHBondContact O-N 2.85Å; R226-A229 HydrophobicContact CB-CB 4.15Å; R226-A229 PolarHBondContact O-N 2.83Å; R226-A229 VanDerWaalsContact O-N 3.08Å; R226-K230 WeakPolarHBondContact O-CB 3.46Å; R226-K230 PolarHBondContact O-N 2.93Å
227	S	91.9	Very high	96.5	Very high	96 Å²	96	53.4 Å²	53.4	67%	0.671	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-41.4	-169.5	60.5	0	0	0	0	116.2	K230	S227-K230 WeakPolarHBondContact O-CG 3.37Å
228	R	95.6	Very high	96.4	Very high	126 Å²	126	54.1 Å²	54.1	48%	0.475	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-44	176.7	-69.2	-178.2	64.9	171.6	1.1	112.7	F180 V183 R226 K230 K231	F180-R228 WeakPolarHBondContact CE1-O 3.46Å; V183-R228 HydrophobicContact CG2-CB 3.73Å; R226-R228 VanDerWaalsContact C-N 3.32Å; R226-R228 PolarHBondContact O-N 2.85Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 3.22Å; R228-K231 PolarHBondContact O-N 3.14Å
229	A	96.9	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-71	-26.4	-175.2	0	0	0	0	0	112.9	V183 F185 F223 R226 K231 L232	V183-A229 HydrophobicContact CG1-CB 4Å; F185-A229 HydrophobicContact CE1-CB 4.43Å; F185-A229 HydrophobicContact CZ-CB 4.35Å; F223-A229 HydrophobicContact CB-CB 4.03Å; F223-A229 CarbonylContact O-C 3.55Å; F223-A229 VanDerWaalsContact O-C 3.28Å; F223-A229 WeakPolarHBondContact O-CB 3.27Å; R226-A229 HydrophobicContact CB-CB 4.15Å; R226-A229 PolarHBondContact O-N 2.83Å; R226-A229 VanDerWaalsContact O-N 3.08Å; A229-K231 PolarHBondContact O-N 2.84Å; A229-L232 WeakPolarHBondContact O-CB 3.22Å; A229-L232 WeakPolarHBondContact O-CG 3.43Å; A229-L232 PolarHBondContact O-N 3.2Å
230	K	96.9	Very high	96.2	Very high	112 Å²	112	54.7 Å²	54.7	49%	0.487	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-58.3	-21.3	177.8	72.3	178.1	-175.4	170.3	0	113.3	F223 G224 R226 S227 R228 L232 L233	F223-K230 WeakPolarHBondContact O-CA 3.48Å; F223-K230 PolarHBondContact O-N 3.11Å; G224-K230 WeakPolarHBondContact O-CB 3.11Å; R226-K230 WeakPolarHBondContact O-CB 3.46Å; R226-K230 PolarHBondContact O-N 2.93Å; S227-K230 WeakPolarHBondContact O-CG 3.37Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 3.22Å; K230-L232 PolarHBondContact O-N 3.07Å; K230-L232 VanDerWaalsContact O-N 3.12Å; K230-L233 VanDerWaalsContact O-CB 3.25Å; K230-L233 WeakPolarHBondContact O-CB 3.48Å; K230-L233 WeakPolarHBondContact O-CG 3.44Å; K230-L233 PolarHBondContact O-N 3.36Å
231	K	97.4	Very high	96.1	Very high	112 Å²	112	55.2 Å²	55.2	49%	0.487	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61.2	-15.8	174	-64	-173.5	177.9	-169.5	0	113.6	F180 R228 A229 L233 N234	F180-K231 HydrophobicContact CE1-CB 4.13Å; F180-K231 HydrophobicContact CZ-CB 4.14Å; R228-K231 PolarHBondContact O-N 3.14Å; A229-K231 PolarHBondContact O-N 2.84Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-N234 PolarHBondContact O-N 2.88Å
232	L	97.9	Very high	96.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.3	-26.4	170.5	-69.5	167.7	0	0	0	112.2	W171 L176 F180 F185 F223 A229 K230 N234 D235 Y236 F261	W171-L232 HydrophobicContact CZ2-CB 4.32Å; W171-L232 HydrophobicContact CZ2-CD2 4.03Å; L176-L232 HydrophobicContact CD2-CD2 4.08Å; F180-L232 HydrophobicContact CD2-CD2 4.24Å; F180-L232 HydrophobicContact CE1-CG 4.35Å; F180-L232 HydrophobicContact CE2-CD2 3.49Å; F180-L232 VanDerWaalsContact CE2-CD2 3.49Å; F180-L232 HydrophobicContact CE2-CG 4.04Å; F180-L232 HydrophobicContact CZ-CD2 3.74Å; F180-L232 HydrophobicContact CZ-CG 3.79Å; F185-L232 HydrophobicContact CE1-CD1 3.83Å; F185-L232 HydrophobicContact CZ-CD1 3.98Å; F223-L232 HydrophobicContact CD2-CB 3.97Å; F223-L232 HydrophobicContact CD2-CD1 4.1Å; F223-L232 HydrophobicContact CE2-CB 4.18Å; A229-L232 WeakPolarHBondContact O-CB 3.22Å; A229-L232 WeakPolarHBondContact O-CG 3.43Å; A229-L232 PolarHBondContact O-N 3.2Å; K230-L232 PolarHBondContact O-N 3.07Å; K230-L232 VanDerWaalsContact O-N 3.12Å; L232-N234 PolarHBondContact O-N 3.14Å; L232-D235 PolarHBondContact O-N 2.83Å; L232-D235 VanDerWaalsContact O-N 3.11Å; L232-Y236 WeakPolarHBondContact O-CD1 3.44Å; L232-F261 HydrophobicContact CD1-CB 4.5Å; L232-F261 HydrophobicContact CD1-CD1 4.47Å; L232-F261 HydrophobicContact CD1-CD2 4Å; L232-F261 HydrophobicContact CD1-CE2 4.36Å; L232-F261 HydrophobicContact CD1-CG 4.05Å; L232-F261 HydrophobicContact CD2-CE2 4.37Å
233	L	97.5	Very high	96	Very high	52 Å²	52	58.5 Å²	58.5	27%	0.272	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-67.3	-17	176.2	-63.3	173.4	0	0	0	112.7	F223 K230 K231 Y236 K259	F223-L233 HydrophobicContact CD2-CD2 4.47Å; F223-L233 HydrophobicContact CE2-CD2 3.52Å; F223-L233 HydrophobicContact CE2-CG 4Å; F223-L233 HydrophobicContact CZ-CD2 3.89Å; K230-L233 VanDerWaalsContact O-CB 3.25Å; K230-L233 WeakPolarHBondContact O-CB 3.48Å; K230-L233 WeakPolarHBondContact O-CG 3.44Å; K230-L233 PolarHBondContact O-N 3.36Å; K231-L233 VanDerWaalsContact C-N 3.27Å; L233-Y236 HydrophobicContact CD2-CE1 3.98Å; L233-Y236 WeakPolarHBondContact CD2-OH 3.27Å; L233-Y236 VanDerWaalsContact O-O 3.1Å; L233-K259 HydrophobicContact CD2-CD 4.43Å
234	N	97.6	Very high	95.7	Very high	121 Å²	121	60.5 Å²	60.5	65%	0.647	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-83.1	-4.1	176.1	-59.5	7.9	0	0	0	112.1	K231 L232	K231-N234 PolarHBondContact O-N 2.88Å; L232-N234 PolarHBondContact O-N 3.14Å
235	D	98.1	Very high	95.7	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.011	28%	0.283	C	S	.	.	S	Bend	trans	-104.7	-4.1	-173.9	-58.8	-30.5	0	0	0	112.1	P166 A167 K170 W171 K179 L232	P166-D235 WeakPolarHBondContact CD-O 3.49Å; A167-D235 HydrophobicContact CB-CB 4.23Å; A167-D235 WeakPolarHBondContact CB-O 3.36Å; A167-D235 PolarHBondContact N-O 3.08Å; K170-D235 HydrophobicContact CD-CB 4.43Å; K170-D235 WeakPolarHBondContact CD-OD1 3.39Å; K170-D235 IonicContact NZ-OD1 3Å; K170-D235 PolarHBondContact NZ-OD1 3.03Å; W171-D235 HydrophobicContact CZ2-CB 4.41Å; W171-D235 PolarHBondContact NE1-OD2 2.66Å; K179-D235 IonicContact NZ-OD2 3.55Å; L232-D235 PolarHBondContact O-N 2.83Å; L232-D235 VanDerWaalsContact O-N 3.11Å
236	Y	98.1	Very high	95.9	Very high	19 Å²	19	52.4 Å²	52.4	8%	0.075	25%	0.253	C	S	.	.			trans	-153.7	162.6	175.9	79.2	-83.1	0	0	0	111.1	W165 W171 F223 L232 L233 W282 V370 Q372	W165-Y236 HydrophobicContact CE3-CG 4.41Å; W165-Y236 HydrophobicContact CH2-CD2 4.09Å; W165-Y236 HydrophobicContact CZ3-CD2 4.17Å; W165-Y236 HydrophobicContact CZ3-CG 4.27Å; W171-Y236 HydrophobicContact CH2-CD1 4.22Å; W171-Y236 HydrophobicContact CZ2-CD1 4.17Å; F223-Y236 HydrophobicContact CE2-CE1 4.26Å; F223-Y236 HydrophobicContact CZ-CE1 4.32Å; L232-Y236 WeakPolarHBondContact O-CD1 3.44Å; L233-Y236 HydrophobicContact CD2-CE1 3.98Å; L233-Y236 WeakPolarHBondContact CD2-OH 3.27Å; L233-Y236 VanDerWaalsContact O-O 3.1Å; Y236-W282 HydrophobicContact CD2-CH2 4.5Å; Y236-W282 HydrophobicContact CE2-CH2 4.19Å; Y236-V370 HydrophobicContact CD2-CG1 4.21Å; Y236-V370 HydrophobicContact CE1-CG2 4.07Å; Y236-V370 HydrophobicContact CE2-CG1 4.46Å; Y236-V370 HydrophobicContact CE2-CG2 4Å; Y236-V370 HydrophobicContact CG-CG1 4.3Å; Y236-Q372 PolarHBondContact OH-NE2 3.02Å
237	E	96.6	Very high	96	Very high	101 Å²	101	50.5 Å²	50.5	47%	0.472	25%	0.246	S	C	.	.			trans	-126.3	165.9	172.6	59.5	174.8	-172.1	0	0	111.1	W165 P239	W165-E237 WeakPolarHBondContact CH2-O 3.3Å; W165-E237 WeakPolarHBondContact CZ2-O 3.15Å; E237-P239 WeakPolarHBondContact O-CD 3.18Å
238	V	97.2	Very high	96.1	Very high	44 Å²	44	51.5 Å²	51.5	27%	0.267	24%	0.235	S	C	.	.			trans	-79.7	121.6	172.5	-179.2	0	0	0	0	108.1	F242 R243 W282	V238-F242 HydrophobicContact CG1-CB 4.04Å; V238-R243 HydrophobicContact CG1-CG 4.46Å; V238-R243 PolarHBondContact O-NE 2.91Å; V238-W282 HydrophobicContact CG1-CZ2 4.21Å; V238-W282 HydrophobicContact CG2-CZ2 4.29Å
239	P	96.5	Very high	96	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.026	22%	0.224	C	C	.	.			trans	-55.9	146.9	177.2	-22.1	30.5	0	0	0	111.9	L161 W165 E237 L241 F242 L350	L161-P239 HydrophobicContact CD1-CB 4.09Å; L161-P239 HydrophobicContact CD2-CB 3.64Å; L161-P239 HydrophobicContact CD2-CG 4Å; L161-P239 HydrophobicContact CG-CB 3.81Å; L161-P239 HydrophobicContact CG-CG 4.11Å; W165-P239 HydrophobicContact CH2-CG 4.45Å; W165-P239 HydrophobicContact CZ2-CG 3.9Å; E237-P239 WeakPolarHBondContact O-CD 3.18Å; P239-L241 PolarHBondContact O-N 3.29Å; P239-L241 VanDerWaalsContact O-N 3.11Å; P239-F242 HydrophobicContact CB-CD2 3.73Å; P239-F242 HydrophobicContact CB-CE2 3.97Å; P239-F242 HydrophobicContact CG-CD2 3.81Å; P239-F242 HydrophobicContact CG-CE2 4Å; P239-F242 PolarHBondContact O-N 3.06Å; P239-L350 HydrophobicContact CG-CD1 3.79Å
240	V	95.2	Very high	95.5	Very high	66 Å²	66	48.4 Å²	48.4	40%	0.4	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-51.6	-38.1	-175.5	58.2	0	0	0	0	113.2	I142 F242 R243	I142-V240 HydrophobicContact CD1-CG2 3.75Å; I142-V240 HydrophobicContact CG1-CG2 4.11Å; V240-F242 PolarHBondContact O-N 2.94Å; V240-F242 VanDerWaalsContact O-N 3.13Å; V240-R243 WeakPolarHBondContact O-CB 3.36Å; V240-R243 PolarHBondContact O-N 2.96Å
241	L	96.8	Very high	94.8	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.052	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-59.6	-23.1	179.4	-54.4	177.9	0	0	0	114.1	L140 I142 F145 L158 L161 P239	L140-L241 HydrophobicContact CD2-CD1 4.27Å; I142-L241 HydrophobicContact CG1-CD2 4.32Å; F145-L241 HydrophobicContact CB-CD1 4.46Å; F145-L241 HydrophobicContact CB-CD2 3.89Å; F145-L241 HydrophobicContact CD1-CB 4.1Å; F145-L241 HydrophobicContact CD2-CD1 4.21Å; F145-L241 HydrophobicContact CE1-CB 4.41Å; F145-L241 HydrophobicContact CG-CB 4.32Å; F145-L241 HydrophobicContact CG-CD1 4.23Å; F145-L241 HydrophobicContact CG-CD2 4.24Å; F145-L241 HydrophobicContact CG-CG 4.49Å; L158-L241 HydrophobicContact CD1-CD1 3.52Å; L161-L241 HydrophobicContact CD2-CD1 4.12Å; P239-L241 PolarHBondContact O-N 3.29Å; P239-L241 VanDerWaalsContact O-N 3.11Å
242	F	96.8	Very high	93.8	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-114.9	16.1	-174.4	-45.4	-62.3	0	0	0	112.8	F145 L158 L161 V238 P239 V240 D244 W282 L350 F352 Y374	F145-F242 HydrophobicContact CE1-CD1 4.41Å; F145-F242 HydrophobicContact CE1-CE1 4.05Å; F145-F242 HydrophobicContact CE2-CE1 4.22Å; F145-F242 HydrophobicContact CZ-CD1 4.35Å; F145-F242 AromaticContact CZ-CE1 3.6Å; F145-F242 HydrophobicContact CZ-CE1 3.6Å; F145-F242 HydrophobicContact CZ-CZ 4.41Å; L158-F242 HydrophobicContact CD1-CE2 4.46Å; L158-F242 HydrophobicContact CD1-CZ 3.9Å; L161-F242 HydrophobicContact CD2-CE2 4.29Å; V238-F242 HydrophobicContact CG1-CB 4.04Å; P239-F242 HydrophobicContact CB-CD2 3.73Å; P239-F242 HydrophobicContact CB-CE2 3.97Å; P239-F242 HydrophobicContact CG-CD2 3.81Å; P239-F242 HydrophobicContact CG-CE2 4Å; P239-F242 PolarHBondContact O-N 3.06Å; V240-F242 PolarHBondContact O-N 2.94Å; V240-F242 VanDerWaalsContact O-N 3.13Å; F242-D244 VanDerWaalsContact C-N 3.35Å; F242-D244 PolarHBondContact O-N 2.93Å; F242-W282 AromaticContact CD1-CD1 3.83Å; F242-W282 HydrophobicContact CD1-CG 4.44Å; F242-W282 HydrophobicContact CD2-CB 4.21Å; F242-W282 AromaticContact CD2-CD1 3.53Å; F242-W282 HydrophobicContact CD2-CD2 4.31Å; F242-W282 AromaticContact CD2-CG 3.78Å; F242-W282 HydrophobicContact CD2-CG 3.78Å; F242-W282 AromaticContact CD2-NE1 3.88Å; F242-W282 HydrophobicContact CE1-CB 4.25Å; F242-W282 HydrophobicContact CE2-CB 3.96Å; F242-W282 HydrophobicContact CE2-CG 4.01Å; F242-W282 HydrophobicContact CG-CB 4.5Å; F242-W282 AromaticContact CG-CD1 3.34Å; F242-W282 HydrophobicContact CG-CG 4.02Å; F242-W282 AromaticContact CG-NE1 3.78Å; F242-W282 HydrophobicContact CZ-CB 3.97Å; F242-W282 HydrophobicContact CZ-CG 4.42Å; F242-L350 HydrophobicContact CE2-CD1 3.83Å; F242-L350 HydrophobicContact CE2-CD2 3.65Å; F242-L350 HydrophobicContact CE2-CG 4.43Å; F242-L350 HydrophobicContact CZ-CD2 3.65Å; F242-F352 HydrophobicContact CE1-CD2 4.03Å; F242-Y374 HydrophobicContact CB-CE1 4.48Å; F242-Y374 AromaticContact CD1-CE1 3.67Å; F242-Y374 HydrophobicContact CD1-CE1 3.67Å; F242-Y374 HydrophobicContact CD1-CE2 4.25Å; F242-Y374 AromaticContact CD1-CZ 3.56Å; F242-Y374 WeakPolarHBondContact CD1-OH 3.26Å; F242-Y374 HydrophobicContact CE1-CE1 4.34Å; F242-Y374 HydrophobicContact CG-CE1 4.39Å
243	R	93.1	Very high	93.1	Very high	130 Å²	130	54.4 Å²	54.4	49%	0.491	26%	0.264	S	S	.	.			trans	-79.7	-5.2	-173	-76.9	-175.6	-176.2	177	-0.2	115	V238 V240 R248	V238-R243 HydrophobicContact CG1-CG 4.46Å; V238-R243 PolarHBondContact O-NE 2.91Å; V240-R243 WeakPolarHBondContact O-CB 3.36Å; V240-R243 PolarHBondContact O-N 2.96Å; R243-R248 PolarHBondContact O-NH1 3.45Å; R243-R248 VanDerWaalsContact O-NH1 3.13Å; R243-R248 PolarHBondContact O-NH2 2.62Å
244	D	89.1	Confident	92.5	Very high	43 Å²	43	57.4 Å²	57.4	23%	0.23	27%	0.271	C	S	.	.			trans	-66.5	-52.9	177.6	-161.7	20.4	0	0	0	110.4	F242 L246 R248 A376 K377 R406	F242-D244 VanDerWaalsContact C-N 3.35Å; F242-D244 PolarHBondContact O-N 2.93Å; D244-L246 PolarHBondContact O-N 3.1Å; D244-L246 WeakPolarHBondContact OD1-CD2 3.06Å; D244-R248 VanDerWaalsContact O-CZ 3.27Å; D244-R248 PolarHBondContact O-NE 3.11Å; D244-R248 VanDerWaalsContact O-NE 3.09Å; D244-A376 WeakPolarHBondContact OD2-CA 3.47Å; D244-K377 PolarHBondContact OD2-N 3.21Å; D244-R406 IonicContact OD1-CZ 3.59Å; D244-R406 IonicContact OD1-NH1 2.72Å; D244-R406 PolarHBondContact OD1-NH1 3.2Å; D244-R406 IonicContact OD1-NH2 3.86Å
245	D	94.8	Very high	92.3	Very high	14 Å²	14	52.6 Å²	52.6	8%	0.075	24%	0.244	C	C	.	.			trans	28.4	67.7	179.1	178.7	37.4	0	0	0	113.2	F247 R248 R255 C375	D245-F247 PolarHBondContact O-N 2.99Å; D245-R248 VanDerWaalsContact O-CB 3.25Å; D245-R248 WeakPolarHBondContact O-CB 3.43Å; D245-R248 WeakPolarHBondContact O-CG 3.38Å; D245-R248 PolarHBondContact O-N 3.13Å; D245-R248 PolarHBondContact O-NE 3.13Å; D245-R248 VanDerWaalsContact O-NE 3.14Å; D245-R255 VanDerWaalsContact CG-NH2 3.31Å; D245-R255 IonicContact OD1-CZ 2.89Å; D245-R255 IonicContact OD1-NH1 3.02Å; D245-R255 IonicContact OD1-NH2 2.87Å; D245-R255 PolarHBondContact OD1-NH2 2.99Å; D245-R255 IonicContact OD2-CZ 3.82Å; D245-R255 IonicContact OD2-NH1 3.87Å; D245-R255 PolarHBondContact OD2-NH1 2.89Å; D245-R255 IonicContact OD2-NH2 3.61Å; D245-R255 PolarHBondContact OD2-NH2 3.22Å; D245-C375 CarbonylContact C-O 3.1Å; D245-C375 VanDerWaalsContact CA-O 3.24Å; D245-C375 WeakPolarHBondContact CA-O 3.4Å; D245-C375 PolarHBondContact N-O 3.29Å
246	L	96.3	Very high	92	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59	-22	-174.2	-63.3	176	0	0	0	113	D244 R248 Y249 C375 L380 W398 M409	D244-L246 PolarHBondContact O-N 3.1Å; D244-L246 WeakPolarHBondContact OD1-CD2 3.06Å; L246-R248 PolarHBondContact O-N 2.97Å; L246-R248 VanDerWaalsContact O-N 3.11Å; L246-Y249 HydrophobicContact CD2-CD2 4.43Å; L246-Y249 HydrophobicContact CD2-CE2 4.13Å; L246-Y249 WeakPolarHBondContact O-CD2 3.24Å; L246-Y249 PolarHBondContact O-N 2.87Å; L246-Y249 VanDerWaalsContact O-N 3.17Å; L246-C375 HydrophobicContact CB-CB 4.11Å; L246-C375 PolarHBondContact N-O 3.29Å; L246-L380 HydrophobicContact CD1-CB 4.1Å; L246-L380 HydrophobicContact CD1-CD1 3.95Å; L246-L380 HydrophobicContact CD1-CD2 3.92Å; L246-L380 HydrophobicContact CD1-CG 4.22Å; L246-W398 HydrophobicContact CB-CZ2 3.83Å; L246-W398 PolarHBondContact O-NE1 3.33Å; L246-M409 HydrophobicContact CD1-CG 4.35Å; L246-M409 HydrophobicContact CD1-SD 3.84Å; L246-M409 HydrophobicContact CD2-CG 4.03Å; L246-M409 HydrophobicContact CD2-SD 4.23Å
247	F	95.2	Very high	91.8	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.031	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-63.8	-10.7	170.7	-89.3	-55.7	0	0	0	113.6	D245 Y249 A250 L277 T279 C375 V383 T387 L394 W398	D245-F247 PolarHBondContact O-N 2.99Å; F247-Y249 PolarHBondContact O-N 2.96Å; F247-A250 HydrophobicContact CD1-CB 4.17Å; F247-A250 WeakPolarHBondContact O-CB 3.34Å; F247-A250 PolarHBondContact O-N 3.26Å; F247-A250 VanDerWaalsContact O-O 3.11Å; F247-L277 HydrophobicContact CZ-CD1 3.97Å; F247-T279 HydrophobicContact CD2-CG2 4.3Å; F247-T279 HydrophobicContact CE2-CG2 3.78Å; F247-C375 HydrophobicContact CD2-CB 3.88Å; F247-C375 HydrophobicContact CE2-CB 4.24Å; F247-V383 HydrophobicContact CE2-CG1 3.51Å; F247-V383 HydrophobicContact CZ-CG1 3.55Å; F247-T387 HydrophobicContact CE1-CG2 4.5Å; F247-L394 HydrophobicContact CE1-CD2 4.4Å; F247-W398 HydrophobicContact CD1-CD2 4.32Å; F247-W398 HydrophobicContact CD1-CE3 4.4Å; F247-W398 HydrophobicContact CD1-CH2 4.34Å; F247-W398 HydrophobicContact CD1-CZ2 4.24Å; F247-W398 HydrophobicContact CD1-CZ3 4.42Å; F247-W398 HydrophobicContact CE1-CD2 4.29Å; F247-W398 AromaticContact CE1-CE3 3.92Å; F247-W398 HydrophobicContact CE1-CE3 3.92Å; F247-W398 HydrophobicContact CE1-CH2 4.06Å; F247-W398 HydrophobicContact CE1-CZ2 4.4Å; F247-W398 AromaticContact CE1-CZ3 3.81Å; F247-W398 HydrophobicContact CE1-CZ3 3.81Å; F247-W398 HydrophobicContact CZ-CH2 4.2Å; F247-W398 HydrophobicContact CZ-CZ3 4.07Å
248	R	93.8	Very high	91.7	Very high	117 Å²	117	51.8 Å²	51.8	44%	0.442	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-61.4	-31.5	170.6	74.3	-176.2	53.7	-172.2	-10	113	R243 D244 D245 L246 A250	R243-R248 PolarHBondContact O-NH1 3.45Å; R243-R248 VanDerWaalsContact O-NH1 3.13Å; R243-R248 PolarHBondContact O-NH2 2.62Å; D244-R248 VanDerWaalsContact O-CZ 3.27Å; D244-R248 PolarHBondContact O-NE 3.11Å; D244-R248 VanDerWaalsContact O-NE 3.09Å; D245-R248 VanDerWaalsContact O-CB 3.25Å; D245-R248 WeakPolarHBondContact O-CB 3.43Å; D245-R248 WeakPolarHBondContact O-CG 3.38Å; D245-R248 PolarHBondContact O-N 3.13Å; D245-R248 PolarHBondContact O-NE 3.13Å; D245-R248 VanDerWaalsContact O-NE 3.14Å; L246-R248 PolarHBondContact O-N 2.97Å; L246-R248 VanDerWaalsContact O-N 3.11Å; R248-A250 VanDerWaalsContact C-N 3.31Å
249	Y	93.9	Very high	91.7	Very high	59 Å²	59	51.3 Å²	51.3	23%	0.231	24%	0.238	C	C	.	.	S	Bend	trans	-76.2	-22.8	178.2	-59.4	-74.1	0	0	0	111.5	L246 F247 S251 A401 L402 Y405 R406	L246-Y249 HydrophobicContact CD2-CD2 4.43Å; L246-Y249 HydrophobicContact CD2-CE2 4.13Å; L246-Y249 WeakPolarHBondContact O-CD2 3.24Å; L246-Y249 PolarHBondContact O-N 2.87Å; L246-Y249 VanDerWaalsContact O-N 3.17Å; F247-Y249 PolarHBondContact O-N 2.96Å; Y249-S251 PolarHBondContact O-N 3.43Å; Y249-S251 VanDerWaalsContact O-N 3.17Å; Y249-A401 VanDerWaalsContact O-CB 3.25Å; Y249-A401 WeakPolarHBondContact O-CB 3.33Å; Y249-L402 HydrophobicContact CD2-CD2 3.91Å; Y249-L402 HydrophobicContact CG-CD2 4.27Å; Y249-Y405 HydrophobicContact CD1-CD2 4.26Å; Y249-Y405 HydrophobicContact CD1-CG 4.27Å; Y249-Y405 HydrophobicContact CE1-CG 4.4Å; Y249-R406 HydrophobicContact CD2-CG 4.31Å; Y249-R406 HydrophobicContact CE1-CG 4.01Å; Y249-R406 HydrophobicContact CE2-CG 3.57Å; Y249-R406 WeakPolarHBondContact OH-CD 3.48Å; Y249-R406 WeakPolarHBondContact OH-CG 3.48Å
250	A	86.7	Confident	91.8	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	24%	0.243	C	C	.	.	S	Bend	trans	-70.8	109.9	164.1	0	0	0	0	0	107.9	F247 R248 S252 R255 L394 W398	F247-A250 HydrophobicContact CD1-CB 4.17Å; F247-A250 WeakPolarHBondContact O-CB 3.34Å; F247-A250 PolarHBondContact O-N 3.26Å; F247-A250 VanDerWaalsContact O-O 3.11Å; R248-A250 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 2.76Å; A250-R255 HydrophobicContact CB-CB 4.22Å; A250-L394 HydrophobicContact CB-CD1 4.02Å; A250-W398 HydrophobicContact CB-CB 4.03Å; A250-W398 HydrophobicContact CB-CG 3.88Å
251	S	81.5	Confident	92	Very high	53 Å²	53	49.7 Å²	49.7	37%	0.371	22%	0.224	S	C	.	.			trans	-31.2	136.9	-174.9	65.4	0	0	0	0	114.2	Y249 R253 R254 R255	Y249-S251 PolarHBondContact O-N 3.43Å; Y249-S251 VanDerWaalsContact O-N 3.17Å; S251-R253 PolarHBondContact O-N 3.38Å; S251-R254 PolarHBondContact O-N 2.81Å; S251-R254 VanDerWaalsContact OG-CB 3.27Å; S251-R254 WeakPolarHBondContact OG-CB 3.46Å; S251-R254 WeakPolarHBondContact OG-CD 3.42Å; S251-R254 WeakPolarHBondContact OG-CG 2.92Å; S251-R254 PolarHBondContact OG-N 3.14Å; S251-R255 PolarHBondContact O-N 3.24Å
252	S	77.5	Confident	92.1	Very high	94 Å²	94	49.2 Å²	49.2	66%	0.657	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-26	-174.2	64.2	0	0	0	0	114.6	R225 A250	R225-S252 PolarHBondContact NH2-O 3.33Å; A250-S252 PolarHBondContact O-N 2.76Å
253	R	82.9	Confident	92.2	Very high	204 Å²	204	49.2 Å²	49.2	77%	0.77	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-34.6	175.4	-168	171.9	78.1	135.1	-3	113.7	S251	S251-R253 PolarHBondContact O-N 3.38Å
254	R	84.9	Confident	92.4	Very high	115 Å²	115	43 Å²	43	43%	0.434	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-24.5	-174.6	-60	-178.6	-170.8	-160.4	3.4	113.4	S251 L394 N397	S251-R254 PolarHBondContact O-N 2.81Å; S251-R254 VanDerWaalsContact OG-CB 3.27Å; S251-R254 WeakPolarHBondContact OG-CB 3.46Å; S251-R254 WeakPolarHBondContact OG-CD 3.42Å; S251-R254 WeakPolarHBondContact OG-CG 2.92Å; S251-R254 PolarHBondContact OG-N 3.14Å; R254-L394 HydrophobicContact CB-CD1 4.08Å; R254-N397 PolarHBondContact NH1-ND2 2.69Å; R254-N397 PolarHBondContact NH1-OD1 2.81Å
255	R	92.5	Very high	92.8	Very high	19 Å²	19	41.1 Å²	41.1	7%	0.072	19%	0.189	C	C	.	.	S	Bend	trans	-58.7	143.3	178.8	72.1	175.8	-68.6	169.8	5.5	111.5	D245 A250 S251 Y258	D245-R255 VanDerWaalsContact CG-NH2 3.31Å; D245-R255 IonicContact OD1-CZ 2.89Å; D245-R255 IonicContact OD1-NH1 3.02Å; D245-R255 IonicContact OD1-NH2 2.87Å; D245-R255 PolarHBondContact OD1-NH2 2.99Å; D245-R255 IonicContact OD2-CZ 3.82Å; D245-R255 IonicContact OD2-NH1 3.87Å; D245-R255 PolarHBondContact OD2-NH1 2.89Å; D245-R255 IonicContact OD2-NH2 3.61Å; D245-R255 PolarHBondContact OD2-NH2 3.22Å; A250-R255 HydrophobicContact CB-CB 4.22Å; S251-R255 PolarHBondContact O-N 3.24Å; R255-Y258 VanDerWaalsContact CZ-CD1 3.45Å; R255-Y258 VanDerWaalsContact CZ-CG 3.48Å; R255-Y258 VanDerWaalsContact NH2-CD2 3.29Å
256	P	92	Very high	93	Very high	17 Å²	17	41.5 Å²	41.5	11%	0.11	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-56.9	157.1	172.8	-18.3	28.7	0	0	0	111.9	Y258 L277 L394	P256-Y258 PolarHBondContact O-N 3.06Å; P256-L277 HydrophobicContact CG-CD1 3.92Å; P256-L394 HydrophobicContact CG-CD2 4.06Å
257	P	93.8	Very high	93.1	Very high	38 Å²	38	42.2 Å²	42.2	25%	0.247	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-54.1	130.5	164.2	-20.2	32.3	0	0	0	109.6	W260 S432	P257-W260 HydrophobicContact CB-CZ2 4.17Å; P257-W260 VanDerWaalsContact O-CH2 3.31Å; P257-W260 WeakPolarHBondContact O-CH2 3.26Å; P257-W260 WeakPolarHBondContact O-CZ2 3.43Å; P257-S432 WeakPolarHBondContact CD-OG 3.3Å; P257-S432 WeakPolarHBondContact CG-OG 3.33Å
258	Y	96	Very high	93.2	Very high	50 Å²	50	41.9 Å²	41.9	20%	0.196	20%	0.195	C	C	.	.			trans	-136.2	-6.4	-168.6	73.3	-83.5	0	0	0	113.3	R255 P256 W260 Q372 N373	R255-Y258 VanDerWaalsContact CZ-CD1 3.45Å; R255-Y258 VanDerWaalsContact CZ-CG 3.48Å; R255-Y258 VanDerWaalsContact NH2-CD2 3.29Å; P256-Y258 PolarHBondContact O-N 3.06Å; Y258-W260 WeakPolarHBondContact O-CZ3 3.49Å; Y258-Q372 VanDerWaalsContact CE2-OE1 3.31Å; Y258-Q372 CarbonylContact O-C 3.56Å; Y258-Q372 WeakPolarHBondContact O-CA 3.19Å; Y258-Q372 VanDerWaalsContact O-CB 3.24Å; Y258-Q372 WeakPolarHBondContact O-CB 2.96Å; Y258-N373 PolarHBondContact O-N 2.89Å
259	K	97.1	Very high	93.4	Very high	35 Å²	35	37 Å²	37	15%	0.152	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.7	-179.3	61.9	-177.7	173.5	-164.4	0	109.9	S221 F223 L233 T371 Q372	S221-K259 WeakPolarHBondContact CA-O 3.25Å; F223-K259 HydrophobicContact CE1-CB 4.43Å; F223-K259 HydrophobicContact CE1-CD 4.32Å; F223-K259 HydrophobicContact CE1-CG 3.96Å; F223-K259 HydrophobicContact CZ-CD 4.18Å; F223-K259 HydrophobicContact CZ-CG 4.29Å; L233-K259 HydrophobicContact CD2-CD 4.43Å; K259-T371 WeakPolarHBondContact CA-O 3.18Å; K259-Q372 HydrophobicContact CB-CB 4.36Å; K259-Q372 HydrophobicContact CB-CG 3.52Å
260	W	98.6	Very high	93.6	Very high	34 Å²	34	36.1 Å²	36.1	13%	0.129	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.7	-177	-60.6	-98.9	0	0	0	110.7	F219 D220 P257 Y258 V262 V370 T371 N373	F219-W260 HydrophobicContact CD1-CB 4.22Å; F219-W260 AromaticContact CD1-CD1 3.18Å; F219-W260 AromaticContact CD1-CG 3.79Å; F219-W260 HydrophobicContact CD1-CG 3.79Å; F219-W260 AromaticContact CD1-NE1 3.68Å; F219-W260 HydrophobicContact CE1-CB 3.96Å; F219-W260 AromaticContact CE1-CD1 3.08Å; F219-W260 AromaticContact CE1-CD2 3.79Å; F219-W260 HydrophobicContact CE1-CD2 3.79Å; F219-W260 AromaticContact CE1-CE2 3.8Å; F219-W260 AromaticContact CE1-CG 3.36Å; F219-W260 HydrophobicContact CE1-CG 3.36Å; F219-W260 AromaticContact CE1-NE1 3.32Å; F219-W260 VanDerWaalsContact CE1-NE1 3.32Å; F219-W260 HydrophobicContact CZ-CB 4.2Å; F219-W260 HydrophobicContact CZ-CD2 4.28Å; F219-W260 AromaticContact CZ-CG 3.95Å; F219-W260 HydrophobicContact CZ-CG 3.95Å; D220-W260 WeakPolarHBondContact O-CA 3.29Å; P257-W260 HydrophobicContact CB-CZ2 4.17Å; P257-W260 VanDerWaalsContact O-CH2 3.31Å; P257-W260 WeakPolarHBondContact O-CH2 3.26Å; P257-W260 WeakPolarHBondContact O-CZ2 3.43Å; Y258-W260 WeakPolarHBondContact O-CZ3 3.49Å; W260-V262 HydrophobicContact CB-CG2 3.96Å; W260-V370 WeakPolarHBondContact O-CA 3.39Å; W260-T371 HydrophobicContact CB-CG2 3.95Å; W260-T371 HydrophobicContact CE3-CG2 4.06Å; W260-T371 PolarHBondContact N-O 3.37Å; W260-T371 PolarHBondContact O-N 2.8Å; W260-T371 VanDerWaalsContact O-N 3.15Å; W260-N373 HydrophobicContact CH2-CB 4.32Å; W260-N373 HydrophobicContact CZ3-CB 4.15Å; W260-N373 WeakPolarHBondContact CZ3-OD1 3.4Å
261	F	98.6	Very high	94.1	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.5	160.8	174.6	-97.4	0	0	0	108.1	W171 L176 F185 V218 D220 F223 L232 F263 I368	W171-F261 HydrophobicContact CD2-CE2 4.28Å; W171-F261 HydrophobicContact CE3-CE2 4.03Å; W171-F261 AromaticContact CH2-CD2 3.82Å; W171-F261 HydrophobicContact CH2-CD2 3.82Å; W171-F261 HydrophobicContact CH2-CE2 4.04Å; W171-F261 HydrophobicContact CZ2-CD2 4.25Å; W171-F261 HydrophobicContact CZ2-CE2 4.29Å; W171-F261 HydrophobicContact CZ3-CD2 4Å; W171-F261 AromaticContact CZ3-CE2 3.9Å; W171-F261 HydrophobicContact CZ3-CE2 3.9Å; L176-F261 HydrophobicContact CD1-CZ 4.21Å; F185-F261 AromaticContact CD1-CD1 3.94Å; F185-F261 HydrophobicContact CD1-CD1 3.94Å; F185-F261 HydrophobicContact CD1-CE1 4.41Å; F185-F261 AromaticContact CE1-CD1 3.85Å; F185-F261 HydrophobicContact CE1-CD1 3.85Å; F185-F261 HydrophobicContact CE1-CE1 4.23Å; V218-F261 HydrophobicContact CG1-CD1 4.06Å; V218-F261 HydrophobicContact CG1-CE1 4.31Å; D220-F261 PolarHBondContact N-O 3.5Å; D220-F261 PolarHBondContact O-N 3.04Å; F223-F261 HydrophobicContact CD1-CB 4.04Å; F223-F261 HydrophobicContact CE1-CB 4.28Å; F223-F261 HydrophobicContact CG-CB 4.15Å; L232-F261 HydrophobicContact CD1-CB 4.5Å; L232-F261 HydrophobicContact CD1-CD1 4.47Å; L232-F261 HydrophobicContact CD1-CD2 4Å; L232-F261 HydrophobicContact CD1-CE2 4.36Å; L232-F261 HydrophobicContact CD1-CG 4.05Å; L232-F261 HydrophobicContact CD2-CE2 4.37Å; F261-F263 HydrophobicContact CE1-CB 3.84Å; F261-F263 HydrophobicContact CE1-CD1 4.38Å; F261-F263 HydrophobicContact CZ-CB 4.16Å; F261-F263 HydrophobicContact CZ-CD1 4.47Å; F261-I368 HydrophobicContact CE2-CG2 3.76Å; F261-I368 HydrophobicContact CZ-CG2 3.88Å
262	V	98.7	Very high	94.9	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.6	-168.9	-172.4	0	0	0	0	110	Y217 V218 F219 W260 I368 A369 T371	Y217-V262 HydrophobicContact CD2-CG1 4.48Å; Y217-V262 HydrophobicContact CE1-CG1 3.93Å; Y217-V262 HydrophobicContact CE2-CG1 3.46Å; Y217-V262 VanDerWaalsContact CE2-CG1 3.46Å; Y217-V262 WeakPolarHBondContact OH-CG1 3.36Å; V218-V262 WeakPolarHBondContact O-CA 3.08Å; F219-V262 HydrophobicContact CD2-CG1 4.05Å; F219-V262 HydrophobicContact CD2-CG2 3.89Å; F219-V262 HydrophobicContact CE2-CG1 4.38Å; F219-V262 HydrophobicContact CE2-CG2 3.85Å; W260-V262 HydrophobicContact CB-CG2 3.96Å; V262-I368 WeakPolarHBondContact O-CA 2.86Å; V262-A369 HydrophobicContact CB-CB 4.39Å; V262-A369 PolarHBondContact N-O 2.89Å; V262-A369 PolarHBondContact O-N 3.34Å; V262-T371 HydrophobicContact CG2-CG2 3.93Å
263	F	98.5	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	120.5	-178.5	-177.6	-172.4	0	0	0	110.2	V173 L200 F203 I204 I207 Y217 V218 F261 T366 T367 I368	V173-F263 HydrophobicContact CG2-CZ 4.15Å; L200-F263 HydrophobicContact CD1-CD1 3.79Å; L200-F263 HydrophobicContact CD1-CE1 3.85Å; F203-F263 HydrophobicContact CD1-CD1 4.31Å; F203-F263 HydrophobicContact CE1-CB 4.45Å; F203-F263 HydrophobicContact CE1-CD1 4.32Å; F203-F263 HydrophobicContact CE1-CD2 4.41Å; F203-F263 HydrophobicContact CE1-CG 4.13Å; F203-F263 VanDerWaalsContact CE1-O 3.24Å; F203-F263 WeakPolarHBondContact CE1-O 3.5Å; F203-F263 WeakPolarHBondContact CZ-O 3.38Å; I204-F263 HydrophobicContact CD1-CE1 4.18Å; I204-F263 HydrophobicContact CG1-CE1 3.89Å; I204-F263 HydrophobicContact CG1-CZ 4.03Å; I207-F263 HydrophobicContact CD1-CD2 3.99Å; I207-F263 HydrophobicContact CD1-CE1 4.43Å; I207-F263 HydrophobicContact CD1-CE2 3.39Å; I207-F263 HydrophobicContact CD1-CZ 3.64Å; Y217-F263 WeakPolarHBondContact CD2-O 3.3Å; V218-F263 HydrophobicContact CB-CB 4.1Å; V218-F263 VanDerWaalsContact CB-O 3.32Å; V218-F263 WeakPolarHBondContact CB-O 3.28Å; V218-F263 HydrophobicContact CG1-CB 4.35Å; V218-F263 PolarHBondContact N-O 2.84Å; V218-F263 PolarHBondContact O-N 3.05Å; F261-F263 HydrophobicContact CE1-CB 3.84Å; F261-F263 HydrophobicContact CE1-CD1 4.38Å; F261-F263 HydrophobicContact CZ-CB 4.16Å; F261-F263 HydrophobicContact CZ-CD1 4.47Å; F263-T366 HydrophobicContact CD2-CG2 4.43Å; F263-T366 HydrophobicContact CE2-CG2 3.6Å; F263-T366 HydrophobicContact CZ-CG2 4.49Å; F263-T367 WeakPolarHBondContact CA-O 3.48Å; F263-T367 VanDerWaalsContact CD2-O 3.3Å; F263-T367 WeakPolarHBondContact CD2-O 3.37Å; F263-I368 HydrophobicContact CD2-CG1 3.7Å; F263-I368 HydrophobicContact CE2-CD1 4.31Å; F263-I368 HydrophobicContact CE2-CG1 3.9Å; F263-I368 HydrophobicContact CG-CG1 4.11Å; F263-I368 HydrophobicContact CZ-CD1 4.46Å; F263-I368 HydrophobicContact CZ-CG1 4.45Å
264	G	98.4	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154.2	-178.1	0	0	0	0	0	114	S268 T366 T367	G264-S268 WeakPolarHBondContact CA-OG 3.44Å; G264-T366 WeakPolarHBondContact O-CA 3.42Å; G264-T367 PolarHBondContact N-O 3.17Å; G264-T367 VanDerWaalsContact N-O 3.13Å; G264-T367 PolarHBondContact O-N 3.26Å
265	P	98	Very high	97.1	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.019	10%	0.101	C	C	.	.			trans	-75.6	173.8	170.9	34.1	-36.1	0	0	0	111.8	I207 P215 S268 N363 D365	I207-P265 HydrophobicContact CB-CB 4.41Å; I207-P265 HydrophobicContact CG1-CB 4.05Å; I207-P265 HydrophobicContact CG1-CG 4.27Å; I207-P265 HydrophobicContact CG2-CB 4.1Å; P215-P265 HydrophobicContact CB-CG 3.46Å; P215-P265 VanDerWaalsContact CB-CG 3.46Å; P215-P265 HydrophobicContact CG-CG 3.92Å; P265-S268 WeakPolarHBondContact CD-OG 3.35Å; P265-S268 WeakPolarHBondContact O-CB 3.37Å; P265-S268 PolarHBondContact O-N 2.73Å; P265-S268 PolarHBondContact O-OG 2.57Å; P265-N363 WeakPolarHBondContact O-CB 3.45Å; P265-D365 CarbonylContact C-O 3.47Å
266	A	97.7	Very high	97.3	Very high	22 Å²	22	19.2 Å²	19.2	18%	0.182	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	146.3	165.8	0	0	0	0	0	111.8	L124 S268 N363 L364 D365	L124-A266 HydrophobicContact CD1-CB 3.79Å; A266-S268 PolarHBondContact O-N 2.64Å; A266-N363 CarbonylContact C-O 3.48Å; A266-N363 WeakPolarHBondContact CA-O 3.46Å; A266-L364 WeakPolarHBondContact CB-O 3.5Å; A266-D365 PolarHBondContact N-O 3.2Å
267	R	98	Very high	97.4	Very high	16 Å²	16	19.1 Å²	19.1	6%	0.06	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	-19.6	-175.1	-54.9	-174.7	-62	-75.1	-3.4	116.6	C119 L124 D212 D213 P215 I319 N363	C119-R267 PolarHBondContact SG-NH1 3.06Å; C119-R267 VanDerWaalsContact SG-NH1 3.42Å; L124-R267 HydrophobicContact CD1-CG 3.83Å; L124-R267 HydrophobicContact CD2-CG 4.17Å; L124-R267 HydrophobicContact CG-CG 4.29Å; D212-R267 VanDerWaalsContact O-CZ 3.29Å; D212-R267 PolarHBondContact O-NE 3.25Å; D212-R267 PolarHBondContact O-NH2 3.11Å; D213-R267 WeakPolarHBondContact O-CB 3.29Å; P215-R267 HydrophobicContact CG-CB 4.31Å; R267-I319 HydrophobicContact CB-CD1 3.76Å; R267-I319 HydrophobicContact CG-CD1 3.7Å; R267-N363 PolarHBondContact N-O 2.95Å
268	S	98.4	Very high	97.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.			trans	-69.2	160	171.6	68.3	0	0	0	0	110.4	G264 P265 A266 N363	G264-S268 WeakPolarHBondContact CA-OG 3.44Å; P265-S268 WeakPolarHBondContact CD-OG 3.35Å; P265-S268 WeakPolarHBondContact O-CB 3.37Å; P265-S268 PolarHBondContact O-N 2.73Å; P265-S268 PolarHBondContact O-OG 2.57Å; A266-S268 PolarHBondContact O-N 2.64Å; S268-N363 VanDerWaalsContact O-CB 3.28Å; S268-N363 WeakPolarHBondContact O-CB 3.36Å; S268-N363 VanDerWaalsContact O-CG 3.31Å; S268-N363 PolarHBondContact O-N 3.12Å; S268-N363 PolarHBondContact O-ND2 3.06Å; S268-N363 VanDerWaalsContact O-ND2 3.14Å; S268-N363 PolarHBondContact OG-ND2 2.98Å
269	G	98.2	Very high	97.5	Very high	13 Å²	13	15.3 Å²	15.3	13%	0.134	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-168.7	-177.9	0	0	0	0	0	112.7	V361	G269-V361 CarbonylContact C-O 3.55Å; G269-V361 WeakPolarHBondContact CA-O 3.41Å
270	T	98	Very high	97.5	Very high	41 Å²	41	13.8 Å²	13.8	25%	0.252	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.1	174	-50.8	0	0	0	0	108.4	H273 V361	T270-H273 WeakPolarHBondContact CG2-CE1 3.48Å; T270-V361 PolarHBondContact N-O 3.12Å; T270-V361 PolarHBondContact O-N 2.94Å; T270-V361 VanDerWaalsContact O-N 3.08Å
271	G	97.4	Very high	97.5	Very high	14 Å²	14	12.4 Å²	12.4	14%	0.144	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	167.7	175.1	0	0	0	0	0	112.7	H273 S316	G271-H273 PolarHBondContact O-N 3.49Å; G271-H273 PolarHBondContact O-ND1 2.78Å; G271-S316 WeakPolarHBondContact CA-O 3.47Å
272	I	97.9	Very high	97.5	Very high	19 Å²	19	12.4 Å²	12.4	10%	0.097	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	125.7	-173.3	-162.9	159.7	0	0	0	112.5	F295 V304 K305 W321 W358 H359 V360	I272-F295 HydrophobicContact CD1-CD2 3.87Å; I272-F295 HydrophobicContact CD1-CE2 3.85Å; I272-V304 HydrophobicContact CD1-CB 3.89Å; I272-V304 HydrophobicContact CD1-CG2 4.32Å; I272-V304 WeakPolarHBondContact CD1-O 3.43Å; I272-V304 WeakPolarHBondContact CG2-O 3.27Å; I272-K305 HydrophobicContact CG2-CG 3.68Å; I272-W321 HydrophobicContact CD1-CZ2 3.92Å; I272-W358 HydrophobicContact CD1-CB 4.27Å; I272-W358 HydrophobicContact CG1-CB 4.23Å; I272-W358 HydrophobicContact CG1-CE3 4.43Å; I272-H359 WeakPolarHBondContact CA-O 3.4Å; I272-V360 HydrophobicContact CB-CB 3.86Å; I272-V360 HydrophobicContact CB-CG2 4.41Å; I272-V360 HydrophobicContact CD1-CB 4.47Å; I272-V360 HydrophobicContact CD1-CG1 4.43Å; I272-V360 HydrophobicContact CG1-CB 4.15Å
273	H	97.5	Very high	97.5	Very high	48 Å²	48	13 Å²	13	22%	0.222	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	172.3	-177.2	67	-66	0	0	0	112	T270 G271 W358 H359	T270-H273 WeakPolarHBondContact CG2-CE1 3.48Å; G271-H273 PolarHBondContact O-N 3.49Å; G271-H273 PolarHBondContact O-ND1 2.78Å; H273-W358 CarbonylContact O-C 3.6Å; H273-W358 WeakPolarHBondContact O-CA 3.38Å; H273-H359 AromaticContact CD2-NE2 3.83Å; H273-H359 AromaticContact CE1-CD2 3.47Å; H273-H359 PolarHBondContact CE1-CD2 3.12Å; H273-H359 VanDerWaalsContact CE1-CD2 3.47Å; H273-H359 AromaticContact CE1-NE2 3.17Å; H273-H359 PolarHBondContact CE1-NE2 3.32Å; H273-H359 PolarHBondContact N-O 2.88Å; H273-H359 AromaticContact ND1-NE2 3.93Å; H273-H359 PolarHBondContact ND1-O 2.88Å; H273-H359 AromaticContact NE2-CD2 3.93Å; H273-H359 AromaticContact NE2-CE1 3.83Å; H273-H359 AromaticContact NE2-NE2 3.15Å; H273-H359 PolarHBondContact NE2-NE2 3.47Å; H273-H359 VanDerWaalsContact NE2-NE2 3.15Å; H273-H359 PolarHBondContact O-N 3.17Å; H273-H359 PolarHBondContact O-ND1 3.02Å
274	I	97.3	Very high	97.6	Very high	3 Å²	3	13 Å²	13	2%	0.015	8%	0.081	C	C	.	.			trans	-117	142.8	166.9	-65.3	160.4	0	0	0	106.5	W358 P425 S427	I274-W358 HydrophobicContact CD1-CD2 3.56Å; I274-W358 VanDerWaalsContact CD1-CE2 3.44Å; I274-W358 HydrophobicContact CD1-CE3 3.74Å; I274-W358 HydrophobicContact CD1-CG 4.18Å; I274-W358 HydrophobicContact CD1-CH2 3.67Å; I274-W358 HydrophobicContact CD1-CZ2 3.54Å; I274-W358 HydrophobicContact CD1-CZ3 3.74Å; I274-W358 HydrophobicContact CG1-CD2 3.61Å; I274-W358 HydrophobicContact CG1-CE3 3.53Å; I274-W358 HydrophobicContact CG1-CG 4.04Å; I274-W358 HydrophobicContact CG1-CH2 4.3Å; I274-W358 HydrophobicContact CG1-CZ2 4.42Å; I274-W358 HydrophobicContact CG1-CZ3 3.84Å; I274-P425 HydrophobicContact CD1-CB 3.51Å; I274-P425 HydrophobicContact CD1-CG 3.52Å; I274-S427 WeakPolarHBondContact O-CB 3.49Å; I274-S427 PolarHBondContact O-N 3.35Å; I274-S427 PolarHBondContact O-OG 3.49Å
275	D	97.1	Very high	97.6	Very high	14 Å²	14	13 Å²	13	8%	0.075	8%	0.081	C	C	.	.			trans	-59.5	145.4	177.1	-86	-50	0	0	0	113.4	A281 H359 N373	D275-A281 WeakPolarHBondContact OD2-CB 3.39Å; D275-H359 IonicContact OD2-CE1 3.28Å; D275-H359 IonicContact OD2-NE2 3.39Å; D275-N373 VanDerWaalsContact CG-ND2 3.28Å; D275-N373 PolarHBondContact OD1-ND2 3.2Å
276	P	95.2	Very high	97.6	Very high	34 Å²	34	13.6 Å²	13.6	22%	0.221	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-70.3	154.8	-174.7	29.3	-36.2	0	0	0	112	G278 T279 S427	P276-G278 PolarHBondContact O-N 3.4Å; P276-T279 PolarHBondContact O-N 2.86Å; P276-T279 PolarHBondContact O-OG1 2.9Å; P276-T279 VanDerWaalsContact O-OG1 3.08Å; P276-S427 WeakPolarHBondContact CA-O 3.2Å
277	L	94.4	Very high	97.6	Very high	15 Å²	15	14.6 Å²	14.6	8%	0.079	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	15.5	176.8	-55.7	177.3	0	0	0	114.8	F247 P256 T279 V383	F247-L277 HydrophobicContact CZ-CD1 3.97Å; P256-L277 HydrophobicContact CG-CD1 3.92Å; L277-T279 VanDerWaalsContact C-N 3.27Å; L277-T279 PolarHBondContact O-N 3.48Å; L277-V383 VanDerWaalsContact O-CA 3.28Å; L277-V383 WeakPolarHBondContact O-CA 3.43Å; L277-V383 WeakPolarHBondContact O-CG2 3.39Å
278	G	94.8	Very high	97.6	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.021	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	15.8	179.6	0	0	0	0	0	114.4	P276 N379	P276-G278 PolarHBondContact O-N 3.4Å; G278-N379 PolarHBondContact O-ND2 2.85Å
279	T	97.5	Very high	97.6	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.037	10%	0.102	C	C	.	.			trans	-64.9	149.1	177.9	55.4	0	0	0	0	111.6	F247 P276 L277 G355 N373 Y374	F247-T279 HydrophobicContact CD2-CG2 4.3Å; F247-T279 HydrophobicContact CE2-CG2 3.78Å; P276-T279 PolarHBondContact O-N 2.86Å; P276-T279 PolarHBondContact O-OG1 2.9Å; P276-T279 VanDerWaalsContact O-OG1 3.08Å; L277-T279 VanDerWaalsContact C-N 3.27Å; L277-T279 PolarHBondContact O-N 3.48Å; T279-G355 VanDerWaalsContact O-CA 3.29Å; T279-G355 WeakPolarHBondContact O-CA 3.43Å; T279-N373 HydrophobicContact CG2-CB 4.45Å; T279-N373 PolarHBondContact OG1-ND2 2.96Å; T279-N373 VanDerWaalsContact OG1-ND2 3.11Å; T279-Y374 WeakPolarHBondContact CB-O 3.26Å
280	H	98.1	Very high	97.7	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.019	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	162.9	158.9	-65.4	-58.1	0	0	0	109.4	F352 P354 G355 N373 Y374 N379	H280-F352 HydrophobicContact CB-CE2 3.93Å; H280-F352 AromaticContact CG-CE2 3.95Å; H280-F352 AromaticContact ND1-CE2 3.92Å; H280-F352 AromaticContact ND1-CZ 3.78Å; H280-P354 WeakPolarHBondContact ND1-CA 3.46Å; H280-G355 PolarHBondContact ND1-N 3.13Å; H280-N373 CarbonylContact O-C 3.6Å; H280-N373 VanDerWaalsContact O-CA 3.23Å; H280-N373 WeakPolarHBondContact O-CA 3.32Å; H280-Y374 HydrophobicContact CB-CD1 3.83Å; H280-Y374 HydrophobicContact CB-CE1 3.31Å; H280-Y374 HydrophobicContact CB-CE2 4.28Å; H280-Y374 HydrophobicContact CB-CG 4.48Å; H280-Y374 PolarHBondContact N-O 2.75Å; H280-Y374 VanDerWaalsContact N-O 3.09Å; H280-Y374 PolarHBondContact O-N 3.09Å; H280-N379 PolarHBondContact CD2-ND2 2.86Å; H280-N379 PolarHBondContact N-ND2 3.35Å; H280-N379 VanDerWaalsContact N-ND2 3.11Å; H280-N379 VanDerWaalsContact NE2-CB 3.34Å; H280-N379 WeakPolarHBondContact NE2-CB 3.32Å; H280-N379 PolarHBondContact NE2-ND2 2.88Å
281	A	98.6	Very high	97.7	Very high	4 Å²	4	15.2 Å²	15.2	3%	0.033	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.7	168.6	0	0	0	0	0	112.1	D275 V353 Q372	D275-A281 WeakPolarHBondContact OD2-CB 3.39Å; A281-V353 HydrophobicContact CB-CB 4.39Å; A281-V353 PolarHBondContact N-O 2.87Å; A281-V353 PolarHBondContact O-N 3.02Å; A281-Q372 CarbonylContact C-O 3.36Å; A281-Q372 VanDerWaalsContact CA-O 3.24Å; A281-Q372 WeakPolarHBondContact CA-O 3.33Å
282	W	98.7	Very high	97.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.008	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.9	164	56.3	-99.1	0	0	0	109.7	W165 Y236 V238 F242 A284 L350 I351 V370 T371 Q372 Y374	W165-W282 HydrophobicContact CH2-CH2 4.34Å; W165-W282 HydrophobicContact CH2-CZ3 4.16Å; Y236-W282 HydrophobicContact CD2-CH2 4.5Å; Y236-W282 HydrophobicContact CE2-CH2 4.19Å; V238-W282 HydrophobicContact CG1-CZ2 4.21Å; V238-W282 HydrophobicContact CG2-CZ2 4.29Å; F242-W282 AromaticContact CD1-CD1 3.83Å; F242-W282 HydrophobicContact CD1-CG 4.44Å; F242-W282 HydrophobicContact CD2-CB 4.21Å; F242-W282 AromaticContact CD2-CD1 3.53Å; F242-W282 HydrophobicContact CD2-CD2 4.31Å; F242-W282 AromaticContact CD2-CG 3.78Å; F242-W282 HydrophobicContact CD2-CG 3.78Å; F242-W282 AromaticContact CD2-NE1 3.88Å; F242-W282 HydrophobicContact CE1-CB 4.25Å; F242-W282 HydrophobicContact CE2-CB 3.96Å; F242-W282 HydrophobicContact CE2-CG 4.01Å; F242-W282 HydrophobicContact CG-CB 4.5Å; F242-W282 AromaticContact CG-CD1 3.34Å; F242-W282 HydrophobicContact CG-CG 4.02Å; F242-W282 AromaticContact CG-NE1 3.78Å; F242-W282 HydrophobicContact CZ-CB 3.97Å; F242-W282 HydrophobicContact CZ-CG 4.42Å; W282-A284 HydrophobicContact CE3-CB 4.35Å; W282-A284 HydrophobicContact CZ3-CB 4.1Å; W282-L350 HydrophobicContact CB-CD1 4.37Å; W282-L350 HydrophobicContact CB-CD2 3.88Å; W282-L350 HydrophobicContact CB-CG 4.27Å; W282-L350 HydrophobicContact CD2-CD1 4.34Å; W282-L350 HydrophobicContact CE3-CD1 3.9Å; W282-I351 CarbonylContact C-O 3.56Å; W282-I351 VanDerWaalsContact CA-O 3.26Å; W282-I351 WeakPolarHBondContact CA-O 2.96Å; W282-V370 HydrophobicContact CZ3-CG1 4.18Å; W282-T371 CarbonylContact O-C 3.59Å; W282-T371 WeakPolarHBondContact O-CA 3.45Å; W282-T371 PolarHBondContact O-OG1 2.89Å; W282-Q372 HydrophobicContact CD2-CB 4.31Å; W282-Q372 HydrophobicContact CH2-CB 4.31Å; W282-Q372 HydrophobicContact CH2-CG 3.63Å; W282-Q372 HydrophobicContact CZ2-CB 3.63Å; W282-Q372 HydrophobicContact CZ2-CG 3.31Å; W282-Q372 VanDerWaalsContact CZ2-NE2 3.25Å; W282-Q372 HydrophobicContact CZ3-CG 4.37Å; W282-Q372 PolarHBondContact N-O 3.3Å; W282-Q372 PolarHBondContact O-N 2.87Å; W282-Y374 AromaticContact CD1-CD1 3.87Å
283	N	98.8	Very high	97.8	Very high	14 Å²	14	13.9 Å²	13.9	8%	0.075	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.8	179.3	-173	-39.4	0	0	0	110.5	W292 Q345 L350 I351	N283-W292 HydrophobicContact CB-CH2 3.89Å; N283-W292 HydrophobicContact CB-CZ2 4.07Å; N283-Q345 PolarHBondContact O-NE2 3.46Å; N283-L350 WeakPolarHBondContact O-CA 3.26Å; N283-I351 HydrophobicContact CB-CG2 3.78Å; N283-I351 PolarHBondContact N-O 3.42Å; N283-I351 PolarHBondContact O-N 3.11Å
284	A	98.8	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.9	178.3	0	0	0	0	0	110.8	V162 W165 W282 L350 A369 V370	V162-A284 HydrophobicContact CG1-CB 4.04Å; V162-A284 HydrophobicContact CG2-CB 4.44Å; W165-A284 HydrophobicContact CH2-CB 3.91Å; W165-A284 HydrophobicContact CZ3-CB 3.65Å; W282-A284 HydrophobicContact CE3-CB 4.35Å; W282-A284 HydrophobicContact CZ3-CB 4.1Å; A284-L350 HydrophobicContact CB-CB 4.41Å; A284-L350 HydrophobicContact CB-CD1 4.17Å; A284-L350 HydrophobicContact CB-CG 4.38Å; A284-A369 VanDerWaalsContact O-CA 3.26Å; A284-A369 WeakPolarHBondContact O-CA 3.42Å; A284-A369 VanDerWaalsContact O-CB 3.29Å; A284-A369 WeakPolarHBondContact O-CB 3.28Å; A284-V370 HydrophobicContact CB-CG1 4.12Å; A284-V370 PolarHBondContact N-O 2.85Å; A284-V370 PolarHBondContact O-N 3.32Å
285	L	98.8	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.5	178.8	-175.6	57.2	0	0	0	110.5	V287 G288 K290 Q345 G348 E349 T367 A369	L285-V287 WeakPolarHBondContact CD1-O 3.38Å; L285-G288 VanDerWaalsContact CD2-O 3.29Å; L285-G288 WeakPolarHBondContact CD2-O 3.19Å; L285-K290 HydrophobicContact CD1-CD 4.01Å; L285-K290 HydrophobicContact CD1-CG 4.13Å; L285-K290 HydrophobicContact CD2-CB 4.28Å; L285-K290 HydrophobicContact CD2-CD 4.34Å; L285-K290 HydrophobicContact CD2-CG 4.03Å; L285-Q345 HydrophobicContact CB-CG 3.98Å; L285-Q345 HydrophobicContact CD2-CB 4.07Å; L285-Q345 HydrophobicContact CD2-CG 3.78Å; L285-Q345 WeakPolarHBondContact CD2-O 3.47Å; L285-G348 PolarHBondContact O-N 3.19Å; L285-E349 PolarHBondContact N-O 2.59Å; L285-T367 HydrophobicContact CD1-CG2 4.39Å; L285-A369 HydrophobicContact CD1-CB 4.09Å
286	I	98.6	Very high	97.9	Very high	14 Å²	14	11.9 Å²	11.9	7%	0.072	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-40.2	-176.5	-51.4	-56.3	0	0	0	111.4	W165 A167 W171 I368	W165-I286 HydrophobicContact CE3-CD1 3.98Å; W165-I286 HydrophobicContact CZ3-CD1 4.28Å; A167-I286 HydrophobicContact CB-CD1 4.31Å; A167-I286 HydrophobicContact CB-CG1 4.31Å; A167-I286 HydrophobicContact CB-CG2 4.2Å; A167-I286 WeakPolarHBondContact O-CG2 3.21Å; W171-I286 HydrophobicContact CB-CG2 4.11Å; W171-I286 HydrophobicContact CE3-CB 4.11Å; W171-I286 HydrophobicContact CE3-CG1 3.68Å; W171-I286 HydrophobicContact CE3-CG2 4.35Å; W171-I286 HydrophobicContact CZ3-CG1 3.91Å; I286-I368 WeakPolarHBondContact CA-O 3.43Å; I286-I368 WeakPolarHBondContact CB-O 3.39Å; I286-I368 PolarHBondContact N-O 3.13Å
287	V	98.3	Very high	97.9	Very high	44 Å²	44	11 Å²	11	27%	0.267	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.3	178.6	180	0	0	0	0	109	W171 L285 T367 I368	W171-V287 VanDerWaalsContact O-CG2 3.29Å; W171-V287 WeakPolarHBondContact O-CG2 3.28Å; L285-V287 WeakPolarHBondContact CD1-O 3.38Å; V287-T367 CarbonylContact O-C 3.56Å; V287-T367 WeakPolarHBondContact O-CA 3.4Å; V287-I368 HydrophobicContact CB-CB 4.06Å; V287-I368 HydrophobicContact CB-CD1 4.17Å; V287-I368 HydrophobicContact CB-CG1 4.22Å; V287-I368 HydrophobicContact CG2-CB 4.34Å; V287-I368 HydrophobicContact CG2-CD1 4.08Å; V287-I368 PolarHBondContact N-O 3.09Å; V287-I368 VanDerWaalsContact N-O 3.11Å; V287-I368 PolarHBondContact O-N 2.84Å
288	G	98.1	Very high	97.9	Very high	7 Å²	7	15.9 Å²	15.9	7%	0.072	8%	0.084	C	C	.	.	S	Bend	trans	85	-166.1	173.8	0	0	0	0	0	114.1	L285 P347 D365	L285-G288 VanDerWaalsContact CD2-O 3.29Å; L285-G288 WeakPolarHBondContact CD2-O 3.19Å; G288-P347 VanDerWaalsContact O-CD 3.25Å; G288-P347 WeakPolarHBondContact O-CD 3.48Å; G288-P347 VanDerWaalsContact O-CG 3.3Å; G288-P347 WeakPolarHBondContact O-CG 3.22Å; G288-D365 WeakPolarHBondContact CA-OD1 3.43Å; G288-D365 WeakPolarHBondContact CA-OD2 3.49Å
289	H	98.6	Very high	98	Very high	66 Å²	66	16 Å²	16	31%	0.306	9%	0.085	S	C	.	.			trans	-131.2	135.4	-176.7	-57.2	86.5	0	0	0	111	L344 Q345 L364 D365 T367	H289-L344 HydrophobicContact CB-CD1 4.28Å; H289-Q345 WeakPolarHBondContact CA-O 3.44Å; H289-L364 HydrophobicContact CB-CB 4.26Å; H289-L364 HydrophobicContact CB-CD1 4.2Å; H289-L364 PolarHBondContact O-N 3.27Å; H289-D365 IonicContact CE1-OD2 3.16Å; H289-D365 IonicContact CG-OD2 3.96Å; H289-D365 PolarHBondContact N-OD1 3.18Å; H289-D365 PolarHBondContact N-OD2 3.18Å; H289-D365 IonicContact ND1-OD2 3.02Å; H289-D365 PolarHBondContact ND1-OD2 3.26Å; H289-T367 WeakPolarHBondContact O-CG2 3.45Å
290	K	98.7	Very high	97.9	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.9	175.1	-67.2	176.2	-180	-67	0	109.7	Y217 L285 W292 Q345 V361 I362 N363 T367	Y217-K290 PolarHBondContact OH-NZ 3.24Å; L285-K290 HydrophobicContact CD1-CD 4.01Å; L285-K290 HydrophobicContact CD1-CG 4.13Å; L285-K290 HydrophobicContact CD2-CB 4.28Å; L285-K290 HydrophobicContact CD2-CD 4.34Å; L285-K290 HydrophobicContact CD2-CG 4.03Å; K290-W292 HydrophobicContact CD-CZ2 4.21Å; K290-Q345 HydrophobicContact CB-CB 4.19Å; K290-Q345 PolarHBondContact N-O 3.17Å; K290-Q345 VanDerWaalsContact N-O 3.1Å; K290-Q345 PolarHBondContact O-N 3.43Å; K290-V361 HydrophobicContact CB-CG1 3.97Å; K290-V361 HydrophobicContact CD-CG1 4.07Å; K290-V361 HydrophobicContact CG-CG1 4.26Å; K290-I362 WeakPolarHBondContact CA-O 3.44Å; K290-N363 PolarHBondContact NZ-OD1 3.22Å; K290-T367 HydrophobicContact CG-CG2 3.97Å; K290-T367 PolarHBondContact NZ-OG1 2.87Å
291	R	98.5	Very high	97.7	Very high	8 Å²	8	23.4 Å²	23.4	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.8	169.6	177.8	179.1	-176.5	166.5	2.4	109.7	T126 F128 F322 Y326 E342 V343 V361 I362 L364	T126-R291 PolarHBondContact O-NH1 2.74Å; F128-R291 VanDerWaalsContact CB-NH2 3.3Å; F128-R291 HydrophobicContact CE1-CG 3.93Å; F128-R291 HydrophobicContact CE2-CG 4.33Å; F128-R291 HydrophobicContact CZ-CB 4.35Å; F128-R291 HydrophobicContact CZ-CG 3.74Å; R291-F322 HydrophobicContact CG-CE1 3.93Å; R291-F322 HydrophobicContact CG-CZ 3.92Å; R291-Y326 PolarHBondContact NH2-OH 3.22Å; R291-E342 IonicContact NH2-OE2 2.75Å; R291-V343 CarbonylContact C-O 3.55Å; R291-V343 WeakPolarHBondContact CA-O 3.41Å; R291-V361 WeakPolarHBondContact O-CA 3.21Å; R291-I362 HydrophobicContact CB-CG2 3.78Å; R291-I362 HydrophobicContact CG-CG2 4.38Å; R291-I362 PolarHBondContact N-O 3.03Å; R291-I362 PolarHBondContact O-N 3Å; R291-L364 HydrophobicContact CB-CD1 4.2Å; R291-L364 HydrophobicContact CB-CD2 3.82Å; R291-L364 HydrophobicContact CB-CG 4.15Å
292	W	98.7	Very high	97.4	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.8	-179.8	-56.5	68.5	0	0	0	110.7	N283 K290 L294 E342 V343 I351 V353 V360 V361	N283-W292 HydrophobicContact CB-CH2 3.89Å; N283-W292 HydrophobicContact CB-CZ2 4.07Å; K290-W292 HydrophobicContact CD-CZ2 4.21Å; W292-L294 HydrophobicContact CB-CD1 3.92Å; W292-E342 WeakPolarHBondContact O-CA 3.45Å; W292-V343 HydrophobicContact CB-CB 3.95Å; W292-V343 HydrophobicContact CB-CG2 4.24Å; W292-V343 HydrophobicContact CG-CB 4.29Å; W292-V343 PolarHBondContact N-O 2.69Å; W292-V343 PolarHBondContact O-N 2.82Å; W292-I351 HydrophobicContact CD2-CD1 4.06Å; W292-I351 HydrophobicContact CE3-CD1 4.16Å; W292-I351 HydrophobicContact CG-CD1 4.31Å; W292-I351 HydrophobicContact CH2-CG2 3.83Å; W292-I351 HydrophobicContact CZ2-CG2 3.63Å; W292-I351 HydrophobicContact CZ3-CG2 4.33Å; W292-V353 HydrophobicContact CZ3-CG2 4.07Å; W292-V360 WeakPolarHBondContact CA-O 3.23Å; W292-V361 HydrophobicContact CD2-CB 4.3Å; W292-V361 HydrophobicContact CD2-CG1 3.89Å; W292-V361 HydrophobicContact CD2-CG2 3.56Å; W292-V361 HydrophobicContact CE3-CB 4.4Å; W292-V361 HydrophobicContact CE3-CG1 4.42Å; W292-V361 HydrophobicContact CE3-CG2 3.24Å; W292-V361 HydrophobicContact CG-CG1 4.28Å; W292-V361 HydrophobicContact CG-CG2 4.39Å; W292-V361 HydrophobicContact CH2-CG1 4.35Å; W292-V361 HydrophobicContact CH2-CG2 3.6Å; W292-V361 HydrophobicContact CZ2-CG1 3.83Å; W292-V361 HydrophobicContact CZ2-CG2 3.92Å; W292-V361 HydrophobicContact CZ3-CG2 3.25Å
293	C	98.4	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.1	155.4	-65.1	0	0	0	0	108	F295 W321 P340 V341 H359 V360	C293-F295 HydrophobicContact CB-CE2 4.16Å; C293-W321 HydrophobicContact CB-CH2 3.69Å; C293-W321 HydrophobicContact CB-CZ3 3.91Å; C293-P340 HydrophobicContact CB-CB 4.12Å; C293-V341 CarbonylContact C-O 3.57Å; C293-V341 WeakPolarHBondContact CA-O 3.35Å; C293-H359 WeakPolarHBondContact O-CA 2.99Å; C293-V360 HydrophobicContact CB-CG1 3.74Å; C293-V360 PolarHBondContact N-O 3.15Å; C293-V360 VanDerWaalsContact N-O 3.16Å; C293-V360 PolarHBondContact O-N 2.86Å
294	L	98.7	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.2	176.2	-50.3	87.9	0	0	0	110.8	P155 W292 P340 V341 V343 I351 V353 W357 W358 H359	P155-L294 HydrophobicContact CB-CD2 4.15Å; P155-L294 HydrophobicContact CG-CD2 4.21Å; W292-L294 HydrophobicContact CB-CD1 3.92Å; L294-P340 WeakPolarHBondContact O-CA 3.26Å; L294-V341 HydrophobicContact CB-CB 4.26Å; L294-V341 HydrophobicContact CD1-CB 4.34Å; L294-V341 HydrophobicContact CD1-CG1 4.28Å; L294-V341 WeakPolarHBondContact CD1-O 3.3Å; L294-V341 PolarHBondContact N-O 3.17Å; L294-V341 PolarHBondContact O-N 3.33Å; L294-V343 HydrophobicContact CD1-CG2 3.87Å; L294-I351 HydrophobicContact CD1-CD1 4.33Å; L294-V353 HydrophobicContact CD2-CG1 4.3Å; L294-V353 HydrophobicContact CD2-CG2 4.36Å; L294-W357 HydrophobicContact CB-CE3 3.81Å; L294-W357 HydrophobicContact CB-CZ3 4.25Å; L294-W358 CarbonylContact C-O 3.6Å; L294-W358 WeakPolarHBondContact CA-O 3.25Å; L294-H359 HydrophobicContact CD2-CB 4.16Å; L294-H359 HydrophobicContact CG-CB 4Å
295	F	98.3	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.6	176.3	-54.7	-98.8	0	0	0	110.2	I272 C293 A299 V304 W321 T329 W334 F338 P340 W357 W358	I272-F295 HydrophobicContact CD1-CD2 3.87Å; I272-F295 HydrophobicContact CD1-CE2 3.85Å; C293-F295 HydrophobicContact CB-CE2 4.16Å; F295-A299 HydrophobicContact CB-CB 3.94Å; F295-V304 HydrophobicContact CB-CG1 4.18Å; F295-V304 HydrophobicContact CD1-CG1 3.93Å; F295-V304 HydrophobicContact CD2-CB 4.49Å; F295-V304 HydrophobicContact CD2-CG1 4.09Å; F295-V304 HydrophobicContact CE1-CG1 4.33Å; F295-V304 HydrophobicContact CE2-CG1 4.5Å; F295-V304 HydrophobicContact CG-CG1 3.8Å; F295-W321 AromaticContact CE2-CH2 3.74Å; F295-W321 HydrophobicContact CE2-CH2 3.74Å; F295-W321 AromaticContact CE2-CZ2 3.43Å; F295-W321 HydrophobicContact CE2-CZ2 3.43Å; F295-W321 VanDerWaalsContact CE2-CZ2 3.43Å; F295-W321 AromaticContact CZ-CH2 3.76Å; F295-W321 HydrophobicContact CZ-CH2 3.76Å; F295-W321 AromaticContact CZ-CZ2 3.61Å; F295-W321 HydrophobicContact CZ-CZ2 3.61Å; F295-T329 HydrophobicContact CE1-CG2 4.34Å; F295-T329 HydrophobicContact CZ-CG2 4.1Å; F295-W334 HydrophobicContact CD1-CZ2 4.5Å; F295-W334 AromaticContact CE1-CZ2 3.79Å; F295-W334 HydrophobicContact CE1-CZ2 3.79Å; F295-F338 WeakPolarHBondContact CD1-O 3.31Å; F295-F338 WeakPolarHBondContact CE1-O 3.49Å; F295-P340 HydrophobicContact CD1-CB 4.4Å; F295-P340 HydrophobicContact CE1-CB 3.77Å; F295-P340 HydrophobicContact CE1-CG 4.31Å; F295-P340 HydrophobicContact CE2-CB 4.33Å; F295-P340 HydrophobicContact CZ-CB 3.73Å; F295-P340 HydrophobicContact CZ-CG 4.37Å; F295-W357 VanDerWaalsContact C-CE3 3.41Å; F295-W357 VanDerWaalsContact O-CE3 3.28Å; F295-W358 HydrophobicContact CB-CB 4.04Å; F295-W358 HydrophobicContact CD2-CB 4.35Å; F295-W358 PolarHBondContact N-O 2.85Å; F295-W358 PolarHBondContact O-N 2.94Å
296	P	96.9	Very high	96.6	Very high	22 Å²	22	35.8 Å²	35.8	14%	0.143	18%	0.179	C	C	.	.			trans	-64.3	156.1	-178.1	29.8	-37.5	0	0	0	111.2	E298 A299 F338 W357	P296-E298 WeakPolarHBondContact CB-OE2 3.29Å; P296-E298 PolarHBondContact O-N 3.27Å; P296-A299 VanDerWaalsContact O-CB 3.28Å; P296-A299 WeakPolarHBondContact O-CB 3.33Å; P296-A299 PolarHBondContact O-N 3.17Å; P296-F338 HydrophobicContact CG-CD1 4Å; P296-F338 HydrophobicContact CG-CE1 4.5Å; P296-W357 HydrophobicContact CB-CH2 4.32Å; P296-W357 HydrophobicContact CB-CZ2 4.48Å; P296-W357 HydrophobicContact CB-CZ3 4.46Å
297	P	95.4	Very high	96.1	Very high	15 Å²	15	37 Å²	37	10%	0.097	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.6	-179.1	-24.2	31.8	0	0	0	114.9	A299 G356 M424 P425	P297-A299 VanDerWaalsContact C-N 3.28Å; P297-A299 PolarHBondContact O-N 2.76Å; P297-G356 WeakPolarHBondContact CA-O 3.37Å; P297-M424 HydrophobicContact CB-CE 4.4Å; P297-M424 HydrophobicContact CB-SD 4.02Å; P297-M424 HydrophobicContact CG-CE 4.07Å; P297-M424 HydrophobicContact CG-SD 4.19Å; P297-P425 HydrophobicContact CB-CG 4.07Å
298	E	95.1	Very high	95.6	Very high	118 Å²	118	38.9 Å²	38.9	55%	0.551	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.1	-179.4	-60.3	72.3	-156.7	0	0	112.9	P296 P300 F338	P296-E298 WeakPolarHBondContact CB-OE2 3.29Å; P296-E298 PolarHBondContact O-N 3.27Å; E298-P300 WeakPolarHBondContact O-CD 3.32Å; E298-F338 HydrophobicContact CB-CE1 4.3Å
299	A	96.3	Very high	95.2	Very high	5 Å²	5	46.5 Å²	46.5	4%	0.041	24%	0.244	C	C	.	.	S	Bend	trans	-63.4	126.4	179.2	0	0	0	0	0	111.2	F295 P296 P297 K301 V304 F338 W358	F295-A299 HydrophobicContact CB-CB 3.94Å; P296-A299 VanDerWaalsContact O-CB 3.28Å; P296-A299 WeakPolarHBondContact O-CB 3.33Å; P296-A299 PolarHBondContact O-N 3.17Å; P297-A299 VanDerWaalsContact C-N 3.28Å; P297-A299 PolarHBondContact O-N 2.76Å; A299-K301 PolarHBondContact O-N 2.89Å; A299-V304 HydrophobicContact CB-CG1 4.01Å; A299-F338 HydrophobicContact CB-CD1 3.9Å; A299-F338 HydrophobicContact CB-CE1 4.27Å; A299-F338 HydrophobicContact CB-CG 4.4Å; A299-W358 PolarHBondContact O-NE1 2.96Å
300	P	95.3	Very high	94.6	Very high	54 Å²	54	46.8 Å²	46.8	35%	0.351	25%	0.246	S	C	.	.			trans	-58.6	136.1	178.7	-25.2	34.2	0	0	0	111.9	E298 E302 M303 V304	E298-P300 WeakPolarHBondContact O-CD 3.32Å; P300-E302 VanDerWaalsContact C-N 3.25Å; P300-E302 PolarHBondContact O-N 3.38Å; P300-M303 HydrophobicContact CB-CB 4.21Å; P300-M303 HydrophobicContact CG-CE 4.44Å; P300-M303 WeakPolarHBondContact O-CB 3.22Å; P300-M303 PolarHBondContact O-N 3.01Å; P300-M303 VanDerWaalsContact O-N 3.07Å; P300-V304 PolarHBondContact O-N 3.11Å
301	K	94.3	Very high	93.8	Very high	112 Å²	112	47.1 Å²	47.1	49%	0.487	25%	0.25	S	S	.	.	H	α-helix	trans	-58	-41.1	-176.8	178.7	-167.7	166.1	-160.1	0	111.6	A299 M303 V304 K305 W358	A299-K301 PolarHBondContact O-N 2.89Å; K301-M303 PolarHBondContact O-N 3.03Å; K301-V304 PolarHBondContact O-N 3.42Å; K301-K305 HydrophobicContact CG-CD 3.85Å; K301-K305 HydrophobicContact CG-CG 4.36Å; K301-K305 VanDerWaalsContact O-CB 3.3Å; K301-K305 WeakPolarHBondContact O-CB 3.32Å; K301-K305 PolarHBondContact O-N 3.24Å; K301-W358 HydrophobicContact CB-CH2 4.44Å; K301-W358 HydrophobicContact CB-CZ2 4.1Å; K301-W358 HydrophobicContact CG-CH2 4.08Å; K301-W358 HydrophobicContact CG-CZ2 4.25Å
302	E	92.8	Very high	93.2	Very high	148 Å²	148	48.6 Å²	48.6	69%	0.692	27%	0.268	S	S	*	.	H	α-helix	trans	-68.2	-24	-177.4	-62.8	65.5	-142	0	0	112	P300	P300-E302 VanDerWaalsContact C-N 3.25Å; P300-E302 PolarHBondContact O-N 3.38Å
303	M	94.4	Very high	92.8	Very high	51 Å²	51	49.3 Å²	49.3	25%	0.251	27%	0.273	S	S	.	.	H	α-helix	trans	-77.6	-36.8	175.7	179.8	-176.3	-70.7	0	0	111.7	P300 K301 W334 P335 F338	P300-M303 HydrophobicContact CB-CB 4.21Å; P300-M303 HydrophobicContact CG-CE 4.44Å; P300-M303 WeakPolarHBondContact O-CB 3.22Å; P300-M303 PolarHBondContact O-N 3.01Å; P300-M303 VanDerWaalsContact O-N 3.07Å; K301-M303 PolarHBondContact O-N 3.03Å; M303-W334 HydrophobicContact CG-CH2 3.48Å; M303-W334 VanDerWaalsContact CG-CH2 3.48Å; M303-W334 HydrophobicContact CG-CZ2 3.82Å; M303-W334 HydrophobicContact CG-CZ3 4.12Å; M303-W334 HydrophobicContact SD-CH2 4.19Å; M303-W334 HydrophobicContact SD-CZ2 3.93Å; M303-P335 HydrophobicContact CE-CG 3.8Å; M303-F338 HydrophobicContact CE-CD2 3.89Å; M303-F338 HydrophobicContact CE-CE2 4.35Å; M303-F338 HydrophobicContact SD-CB 4Å; M303-F338 HydrophobicContact SD-CD2 3.69Å; M303-F338 HydrophobicContact SD-CG 4.12Å
304	V	95.7	Very high	92.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-101.9	-16.2	-171.9	-57.5	0	0	0	0	113.6	I272 F295 A299 P300 K301 W321 L325 W358	I272-V304 HydrophobicContact CD1-CB 3.89Å; I272-V304 HydrophobicContact CD1-CG2 4.32Å; I272-V304 WeakPolarHBondContact CD1-O 3.43Å; I272-V304 WeakPolarHBondContact CG2-O 3.27Å; F295-V304 HydrophobicContact CB-CG1 4.18Å; F295-V304 HydrophobicContact CD1-CG1 3.93Å; F295-V304 HydrophobicContact CD2-CB 4.49Å; F295-V304 HydrophobicContact CD2-CG1 4.09Å; F295-V304 HydrophobicContact CE1-CG1 4.33Å; F295-V304 HydrophobicContact CE2-CG1 4.5Å; F295-V304 HydrophobicContact CG-CG1 3.8Å; A299-V304 HydrophobicContact CB-CG1 4.01Å; P300-V304 PolarHBondContact O-N 3.11Å; K301-V304 PolarHBondContact O-N 3.42Å; V304-W321 PolarHBondContact O-NE1 3.06Å; V304-L325 VanDerWaalsContact C-CD1 3.47Å; V304-L325 VanDerWaalsContact O-CD1 3.28Å; V304-L325 WeakPolarHBondContact O-CD1 3.49Å; V304-W358 HydrophobicContact CG2-CD2 3.79Å; V304-W358 HydrophobicContact CG2-CE3 4.3Å; V304-W358 HydrophobicContact CG2-CG 3.94Å; V304-W358 HydrophobicContact CG2-CZ2 4.48Å
305	K	94.9	Very high	92	Very high	70 Å²	70	54.8 Å²	54.8	30%	0.304	29%	0.294	S	S	.	.	S	Bend	trans	-106.3	136	178.1	-76.4	-171.3	168	173.9	0	112.6	I272 K301 W358	I272-K305 HydrophobicContact CG2-CG 3.68Å; K301-K305 HydrophobicContact CG-CD 3.85Å; K301-K305 HydrophobicContact CG-CG 4.36Å; K301-K305 VanDerWaalsContact O-CB 3.3Å; K301-K305 WeakPolarHBondContact O-CB 3.32Å; K301-K305 PolarHBondContact O-N 3.24Å; K305-W358 HydrophobicContact CD-CH2 4.42Å; K305-W358 HydrophobicContact CD-CZ3 4.24Å
306	L	92.2	Very high	91.7	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.058	31%	0.311	C	S	.	.			trans	-69.4	134.4	167.1	-67.5	176.5	0	0	0	111.1	E310 G320 W321 T324 L325	L306-E310 HydrophobicContact CD2-CG 4.13Å; L306-E310 WeakPolarHBondContact CD2-OE1 3.3Å; L306-G320 WeakPolarHBondContact CD1-O 3.49Å; L306-W321 HydrophobicContact CD1-CB 4.47Å; L306-T324 HydrophobicContact CD2-CG2 3.82Å; L306-L325 HydrophobicContact CD2-CB 3.91Å; L306-L325 HydrophobicContact CD2-CD1 4.05Å; L306-L325 HydrophobicContact CD2-CG 4.47Å; L306-L325 HydrophobicContact CG-CB 4.29Å; L306-L325 HydrophobicContact CG-CD1 4.21Å
307	G	89.5	Confident	91.7	Very high	38 Å²	38	58 Å²	58	39%	0.392	31%	0.312	S	S	.	.			trans	-71.2	162.3	161.5	0	0	0	0	0	111.7	D309 E310 G311	G307-D309 VanDerWaalsContact C-N 3.33Å; G307-D309 PolarHBondContact O-N 3.27Å; G307-E310 PolarHBondContact O-N 3.36Å; G307-G311 PolarHBondContact O-N 3.26Å
308	V	87.8	Confident	91.8	Very high	85 Å²	85	57.3 Å²	57.3	52%	0.515	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-43	179.3	178.1	0	0	0	0	111.3	E310 G312 W315	V308-E310 VanDerWaalsContact C-N 3.31Å; V308-E310 PolarHBondContact O-N 3.1Å; V308-G312 PolarHBondContact O-N 3.35Å; V308-G312 VanDerWaalsContact O-N 3.1Å; V308-W315 HydrophobicContact CG2-CD2 4.04Å; V308-W315 HydrophobicContact CG2-CE3 4.36Å; V308-W315 HydrophobicContact CG2-CG 4.47Å; V308-W315 HydrophobicContact CG2-CZ2 4.28Å
309	D	88.6	Confident	91.8	Very high	166 Å²	166	51.7 Å²	51.7	89%	0.888	28%	0.282	S	S	*	.	H	α-helix	trans	-66.7	-37	-178.7	-57.9	-39.1	0	0	0	111.6	G307	G307-D309 VanDerWaalsContact C-N 3.33Å; G307-D309 PolarHBondContact O-N 3.27Å
310	E	86.8	Confident	91.8	Very high	72 Å²	72	51.5 Å²	51.5	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-75.4	-45.3	-177.6	-163.4	-160.6	144.1	0	0	112.6	L306 G307 V308 T324 R328	L306-E310 HydrophobicContact CD2-CG 4.13Å; L306-E310 WeakPolarHBondContact CD2-OE1 3.3Å; G307-E310 PolarHBondContact O-N 3.36Å; V308-E310 VanDerWaalsContact C-N 3.31Å; V308-E310 PolarHBondContact O-N 3.1Å; E310-T324 HydrophobicContact CG-CG2 4.17Å; E310-T324 WeakPolarHBondContact OE1-CG2 3.24Å; E310-R328 IonicContact OE1-CZ 3.91Å; E310-R328 IonicContact OE1-NE 2.6Å; E310-R328 IonicContact OE1-NH1 2.85Å; E310-R328 PolarHBondContact OE1-NH1 3.4Å; E310-R328 IonicContact OE1-NH2 3.29Å; E310-R328 PolarHBondContact OE1-NH2 2.96Å; E310-R328 IonicContact OE2-NH1 2.96Å; E310-R328 PolarHBondContact OE2-NH1 3.18Å; E310-R328 IonicContact OE2-NH2 3.33Å
311	G	80.4	Confident	91.8	Very high	9 Å²	9	49.1 Å²	49.1	9%	0.093	26%	0.264	C	S	.	.	H	α-helix	trans	-87.2	-6.3	-176.1	0	0	0	0	0	114.7	G307 V313 H314 W315	G307-G311 PolarHBondContact O-N 3.26Å; G311-V313 PolarHBondContact O-N 2.88Å; G311-H314 CarbonylContact O-C 3.51Å; G311-H314 PolarHBondContact O-N 2.84Å; G311-W315 PolarHBondContact O-N 3Å; G311-W315 VanDerWaalsContact O-N 3.15Å
312	G	87.5	Confident	92	Very high	39 Å²	39	44 Å²	44	40%	0.402	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	55	-130	177.5	0	0	0	0	0	113.4	V308 H314 W315	V308-G312 PolarHBondContact O-N 3.35Å; V308-G312 VanDerWaalsContact O-N 3.1Å; G312-H314 VanDerWaalsContact C-N 3.26Å; G312-H314 PolarHBondContact O-N 3.41Å; G312-W315 VanDerWaalsContact O-CD1 3.3Å
313	V	88.8	Confident	92	Very high	21 Å²	21	40.6 Å²	40.6	13%	0.127	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-64.8	-29.3	-174.9	-177.2	0	0	0	0	112.9	R105 L108 G311	R105-V313 PolarHBondContact NH2-O 2.98Å; R105-V313 VanDerWaalsContact NH2-O 3.12Å; L108-V313 HydrophobicContact CD2-CG1 3.25Å; G311-V313 PolarHBondContact O-N 2.88Å
314	H	90	Very high	92	Very high	3 Å²	3	40 Å²	40	1%	0.014	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-120	28.4	-170.7	-61.3	-59.8	0	0	0	111.8	D213 G311 G312 S316 E317	D213-H314 WeakPolarHBondContact CB-NE2 3.45Å; D213-H314 IonicContact OD2-CD2 3.8Å; D213-H314 IonicContact OD2-NE2 2.85Å; D213-H314 PolarHBondContact OD2-NE2 3.42Å; D213-H314 VanDerWaalsContact OD2-NE2 3.13Å; G311-H314 CarbonylContact O-C 3.51Å; G311-H314 PolarHBondContact O-N 2.84Å; G312-H314 VanDerWaalsContact C-N 3.26Å; G312-H314 PolarHBondContact O-N 3.41Å; H314-S316 PolarHBondContact O-N 3.22Å; H314-S316 VanDerWaalsContact O-N 3.12Å; H314-E317 HydrophobicContact CB-CB 4.03Å; H314-E317 HydrophobicContact CB-CG 3.86Å; H314-E317 WeakPolarHBondContact O-CB 3.33Å; H314-E317 PolarHBondContact O-N 2.91Å
315	W	90.4	Very high	92	Very high	112 Å²	112	40.1 Å²	40.1	42%	0.424	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29	-175.4	70.3	-89	0	0	0	114.4	V308 G311 G312	V308-W315 HydrophobicContact CG2-CD2 4.04Å; V308-W315 HydrophobicContact CG2-CE3 4.36Å; V308-W315 HydrophobicContact CG2-CG 4.47Å; V308-W315 HydrophobicContact CG2-CZ2 4.28Å; G311-W315 PolarHBondContact O-N 3Å; G311-W315 VanDerWaalsContact O-N 3.15Å; G312-W315 VanDerWaalsContact O-CD1 3.3Å
316	S	92.8	Very high	92.1	Very high	51 Å²	51	37.5 Å²	37.5	36%	0.357	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-2.8	177.7	59.1	0	0	0	0	114.3	G271 H314	G271-S316 WeakPolarHBondContact CA-O 3.47Å; H314-S316 PolarHBondContact O-N 3.22Å; H314-S316 VanDerWaalsContact O-N 3.12Å
317	E	96	Very high	92.2	Very high	37 Å²	37	40.1 Å²	40.1	17%	0.173	23%	0.232	C	C	.	.	S	Bend	trans	-93.8	150.7	-173.3	-52.4	-64.3	118.1	0	0	111.1	R105 S214 H314 I319 G320 W321	R105-E317 IonicContact CZ-OE1 3.53Å; R105-E317 IonicContact NH1-OE1 3.27Å; R105-E317 PolarHBondContact NH1-OE1 3.05Å; R105-E317 IonicContact NH1-OE2 2.99Å; R105-E317 PolarHBondContact NH1-OE2 3.21Å; S214-E317 WeakPolarHBondContact CB-OE2 3.24Å; S214-E317 PolarHBondContact OG-OE2 2.93Å; H314-E317 HydrophobicContact CB-CB 4.03Å; H314-E317 HydrophobicContact CB-CG 3.86Å; H314-E317 WeakPolarHBondContact O-CB 3.33Å; H314-E317 PolarHBondContact O-N 2.91Å; E317-I319 VanDerWaalsContact C-N 3.31Å; E317-I319 HydrophobicContact CB-CG2 4.41Å; E317-I319 PolarHBondContact O-N 3.11Å; E317-G320 PolarHBondContact O-N 2.99Å; E317-W321 PolarHBondContact O-N 3.31Å; E317-W321 VanDerWaalsContact O-N 3.12Å
318	A	97.6	Very high	92.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-45	178.7	0	0	0	0	0	112.1	G320 W321 F322 V360 V361 I362	A318-G320 VanDerWaalsContact C-N 3.33Å; A318-G320 PolarHBondContact O-N 2.65Å; A318-W321 WeakPolarHBondContact O-CB 3.29Å; A318-W321 PolarHBondContact O-N 2.85Å; A318-F322 VanDerWaalsContact O-CD2 3.3Å; A318-F322 WeakPolarHBondContact O-CD2 3.29Å; A318-F322 PolarHBondContact O-N 2.77Å; A318-V360 HydrophobicContact CB-CG2 4.17Å; A318-V361 WeakPolarHBondContact CB-O 3.47Å; A318-I362 HydrophobicContact CB-CB 4.2Å
319	I	96.4	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-36.8	-179.8	-165.5	166.1	0	0	0	112.6	L118 F122 R267 E317 W321 F322 Q323 I362	L118-I319 HydrophobicContact CB-CD1 3.79Å; L118-I319 HydrophobicContact CD1-CD1 3.53Å; L118-I319 HydrophobicContact CD1-CG1 3.76Å; L118-I319 HydrophobicContact CD1-CG2 3.99Å; L118-I319 HydrophobicContact CG-CD1 4.27Å; F122-I319 HydrophobicContact CB-CD1 4.3Å; F122-I319 HydrophobicContact CD1-CD1 3.78Å; F122-I319 HydrophobicContact CD1-CG1 4Å; F122-I319 HydrophobicContact CE1-CD1 4.33Å; F122-I319 HydrophobicContact CE1-CG1 4.12Å; F122-I319 HydrophobicContact CG-CD1 4.04Å; F122-I319 HydrophobicContact CG-CG1 4.24Å; F122-I319 HydrophobicContact CZ-CG1 4.48Å; R267-I319 HydrophobicContact CB-CD1 3.76Å; R267-I319 HydrophobicContact CG-CD1 3.7Å; E317-I319 VanDerWaalsContact C-N 3.31Å; E317-I319 HydrophobicContact CB-CG2 4.41Å; E317-I319 PolarHBondContact O-N 3.11Å; I319-W321 VanDerWaalsContact C-N 3.31Å; I319-W321 PolarHBondContact O-N 2.7Å; I319-F322 PolarHBondContact O-N 2.91Å; I319-Q323 WeakPolarHBondContact O-CB 3.18Å; I319-Q323 PolarHBondContact O-N 2.52Å; I319-I362 HydrophobicContact CB-CD1 3.94Å; I319-I362 HydrophobicContact CG1-CD1 4.05Å
320	G	94.8	Very high	93.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-40.7	174.5	0	0	0	0	0	111.7	L306 E317 A318 Q323 T324	L306-G320 WeakPolarHBondContact CD1-O 3.49Å; E317-G320 PolarHBondContact O-N 2.99Å; A318-G320 VanDerWaalsContact C-N 3.33Å; A318-G320 PolarHBondContact O-N 2.65Å; G320-Q323 PolarHBondContact O-N 2.87Å; G320-T324 VanDerWaalsContact O-CB 3.29Å; G320-T324 WeakPolarHBondContact O-CB 3.37Å; G320-T324 PolarHBondContact O-N 3.35Å; G320-T324 PolarHBondContact O-OG1 2.97Å
321	W	97.2	Very high	93.6	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-48.9	174.4	-169.4	95.9	0	0	0	112.6	I272 C293 F295 V304 L306 E317 A318 I319 Q323 T324 L325 Y326 V360	I272-W321 HydrophobicContact CD1-CZ2 3.92Å; C293-W321 HydrophobicContact CB-CH2 3.69Å; C293-W321 HydrophobicContact CB-CZ3 3.91Å; F295-W321 AromaticContact CE2-CH2 3.74Å; F295-W321 HydrophobicContact CE2-CH2 3.74Å; F295-W321 AromaticContact CE2-CZ2 3.43Å; F295-W321 HydrophobicContact CE2-CZ2 3.43Å; F295-W321 VanDerWaalsContact CE2-CZ2 3.43Å; F295-W321 AromaticContact CZ-CH2 3.76Å; F295-W321 HydrophobicContact CZ-CH2 3.76Å; F295-W321 AromaticContact CZ-CZ2 3.61Å; F295-W321 HydrophobicContact CZ-CZ2 3.61Å; V304-W321 PolarHBondContact O-NE1 3.06Å; L306-W321 HydrophobicContact CD1-CB 4.47Å; E317-W321 PolarHBondContact O-N 3.31Å; E317-W321 VanDerWaalsContact O-N 3.12Å; A318-W321 WeakPolarHBondContact O-CB 3.29Å; A318-W321 PolarHBondContact O-N 2.85Å; I319-W321 VanDerWaalsContact C-N 3.31Å; I319-W321 PolarHBondContact O-N 2.7Å; W321-Q323 VanDerWaalsContact C-N 3.31Å; W321-Q323 PolarHBondContact O-N 2.93Å; W321-T324 PolarHBondContact O-N 3.01Å; W321-L325 HydrophobicContact CD2-CB 4.31Å; W321-L325 HydrophobicContact CG-CB 4.35Å; W321-L325 HydrophobicContact CH2-CD2 4.42Å; W321-L325 HydrophobicContact CZ2-CD2 3.6Å; W321-L325 PolarHBondContact O-N 3.04Å; W321-Y326 HydrophobicContact CH2-CD2 4.28Å; W321-Y326 AromaticContact CZ3-CD2 3.92Å; W321-Y326 HydrophobicContact CZ3-CD2 3.92Å; W321-Y326 HydrophobicContact CZ3-CG 4.25Å; W321-Y326 PolarHBondContact O-N 3.01Å; W321-Y326 VanDerWaalsContact O-N 3.1Å; W321-V360 HydrophobicContact CB-CG2 4.15Å; W321-V360 HydrophobicContact CD2-CB 4.33Å; W321-V360 HydrophobicContact CD2-CG1 3.82Å; W321-V360 HydrophobicContact CD2-CG2 4.11Å; W321-V360 HydrophobicContact CE3-CB 4.42Å; W321-V360 HydrophobicContact CE3-CG1 3.58Å; W321-V360 HydrophobicContact CE3-CG2 4.17Å; W321-V360 HydrophobicContact CG-CG2 4.1Å; W321-V360 HydrophobicContact CH2-CG1 3.93Å; W321-V360 HydrophobicContact CZ2-CG1 4.12Å; W321-V360 HydrophobicContact CZ3-CG1 3.63Å
322	F	96.8	Very high	94.3	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-29.7	178.5	-83.1	-77.4	0	0	0	113.2	F122 R291 A318 I319 Y326 V360 I362	F122-F322 HydrophobicContact CZ-CB 3.9Å; R291-F322 HydrophobicContact CG-CE1 3.93Å; R291-F322 HydrophobicContact CG-CZ 3.92Å; A318-F322 VanDerWaalsContact O-CD2 3.3Å; A318-F322 WeakPolarHBondContact O-CD2 3.29Å; A318-F322 PolarHBondContact O-N 2.77Å; I319-F322 PolarHBondContact O-N 2.91Å; F322-Y326 HydrophobicContact CD1-CD2 4.25Å; F322-Y326 HydrophobicContact CD1-CG 4.01Å; F322-Y326 HydrophobicContact CE1-CD2 4.29Å; F322-Y326 HydrophobicContact CE1-CG 4.5Å; F322-Y326 WeakPolarHBondContact O-CB 3.47Å; F322-V360 HydrophobicContact CD2-CG2 4.45Å; F322-V360 HydrophobicContact CE2-CG1 4.23Å; F322-V360 HydrophobicContact CE2-CG2 4.02Å; F322-V360 HydrophobicContact CZ-CG1 4.28Å; F322-I362 HydrophobicContact CD2-CB 3.75Å; F322-I362 HydrophobicContact CD2-CD1 4.24Å; F322-I362 HydrophobicContact CD2-CG2 3.56Å; F322-I362 HydrophobicContact CE1-CG2 4.47Å; F322-I362 HydrophobicContact CE2-CB 3.66Å; F322-I362 HydrophobicContact CE2-CG2 3.32Å; F322-I362 HydrophobicContact CG-CG2 4.26Å; F322-I362 HydrophobicContact CZ-CG2 3.83Å
323	Q	94.6	Very high	94.7	Very high	75 Å²	75	48.3 Å²	48.3	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-74.3	-36.7	176.2	-176.2	178.7	7.9	0	0	112.3	F122 I319 G320 W321	F122-Q323 HydrophobicContact CD2-CB 4.24Å; F122-Q323 HydrophobicContact CD2-CG 4.42Å; F122-Q323 HydrophobicContact CE2-CB 3.97Å; I319-Q323 WeakPolarHBondContact O-CB 3.18Å; I319-Q323 PolarHBondContact O-N 2.52Å; G320-Q323 PolarHBondContact O-N 2.87Å; W321-Q323 VanDerWaalsContact C-N 3.31Å; W321-Q323 PolarHBondContact O-N 2.93Å
324	T	93.8	Very high	95.1	Very high	39 Å²	39	48.7 Å²	48.7	24%	0.239	26%	0.256	C	S	.	.	H	α-helix	trans	-109.3	-48.2	-165.5	-44.2	0	0	0	0	112.9	L306 E310 G320 W321	L306-T324 HydrophobicContact CD2-CG2 3.82Å; E310-T324 HydrophobicContact CG-CG2 4.17Å; E310-T324 WeakPolarHBondContact OE1-CG2 3.24Å; G320-T324 VanDerWaalsContact O-CB 3.29Å; G320-T324 WeakPolarHBondContact O-CB 3.37Å; G320-T324 PolarHBondContact O-N 3.35Å; G320-T324 PolarHBondContact O-OG1 2.97Å; W321-T324 PolarHBondContact O-N 3.01Å
325	L	95.3	Very high	95.4	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-42.5	-173.1	-159	151.9	0	0	0	111.9	V304 L306 W321 P327 R328 T329 W334	V304-L325 VanDerWaalsContact C-CD1 3.47Å; V304-L325 VanDerWaalsContact O-CD1 3.28Å; V304-L325 WeakPolarHBondContact O-CD1 3.49Å; L306-L325 HydrophobicContact CD2-CB 3.91Å; L306-L325 HydrophobicContact CD2-CD1 4.05Å; L306-L325 HydrophobicContact CD2-CG 4.47Å; L306-L325 HydrophobicContact CG-CB 4.29Å; L306-L325 HydrophobicContact CG-CD1 4.21Å; W321-L325 HydrophobicContact CD2-CB 4.31Å; W321-L325 HydrophobicContact CG-CB 4.35Å; W321-L325 HydrophobicContact CH2-CD2 4.42Å; W321-L325 HydrophobicContact CZ2-CD2 3.6Å; W321-L325 PolarHBondContact O-N 3.04Å; L325-P327 VanDerWaalsContact C-CD 3.48Å; L325-R328 WeakPolarHBondContact O-CA 3.4Å; L325-R328 WeakPolarHBondContact O-CB 3.42Å; L325-R328 PolarHBondContact O-N 2.96Å; L325-T329 HydrophobicContact CD2-CG2 4.06Å; L325-W334 HydrophobicContact CD2-CH2 4.1Å
326	Y	96.2	Very high	95.6	Very high	16 Å²	16	49.4 Å²	49.4	6%	0.063	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-52.1	-43.4	-178.6	178.3	-100	0	0	0	114.2	F128 R291 W321 F322 R328 T329 R330 E342	F128-Y326 WeakPolarHBondContact CB-OH 3.42Å; R291-Y326 PolarHBondContact NH2-OH 3.22Å; W321-Y326 HydrophobicContact CH2-CD2 4.28Å; W321-Y326 AromaticContact CZ3-CD2 3.92Å; W321-Y326 HydrophobicContact CZ3-CD2 3.92Å; W321-Y326 HydrophobicContact CZ3-CG 4.25Å; W321-Y326 PolarHBondContact O-N 3.01Å; W321-Y326 VanDerWaalsContact O-N 3.1Å; F322-Y326 HydrophobicContact CD1-CD2 4.25Å; F322-Y326 HydrophobicContact CD1-CG 4.01Å; F322-Y326 HydrophobicContact CE1-CD2 4.29Å; F322-Y326 HydrophobicContact CE1-CG 4.5Å; F322-Y326 WeakPolarHBondContact O-CB 3.47Å; Y326-R328 PolarHBondContact O-N 3.21Å; Y326-R328 VanDerWaalsContact O-N 3.09Å; Y326-T329 PolarHBondContact O-N 3.2Å; Y326-T329 PolarHBondContact O-OG1 2.86Å; Y326-R330 HydrophobicContact CE1-CG 4.17Å; Y326-E342 WeakPolarHBondContact CE2-OE2 3.36Å; Y326-E342 VanDerWaalsContact CZ-OE2 3.24Å; Y326-E342 PolarHBondContact OH-OE1 3.13Å; Y326-E342 PolarHBondContact OH-OE2 3.47Å
327	P	95.2	Very high	95.8	Very high	66 Å²	66	52.8 Å²	52.8	43%	0.429	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56	-30.3	176	-26.9	36.6	0	0	0	113.8	L325 T329 R330	L325-P327 VanDerWaalsContact C-CD 3.48Å; P327-T329 VanDerWaalsContact C-N 3.32Å; P327-T329 PolarHBondContact O-N 3.13Å; P327-R330 PolarHBondContact O-N 2.97Å
328	R	95.5	Very high	95.8	Very high	102 Å²	102	52.4 Å²	52.4	39%	0.385	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-67.3	-33.1	177.3	-55.4	179.8	175.3	167.3	4.7	112.5	E310 L325 Y326 R330 L331 W334	E310-R328 IonicContact OE1-CZ 3.91Å; E310-R328 IonicContact OE1-NE 2.6Å; E310-R328 IonicContact OE1-NH1 2.85Å; E310-R328 PolarHBondContact OE1-NH1 3.4Å; E310-R328 IonicContact OE1-NH2 3.29Å; E310-R328 PolarHBondContact OE1-NH2 2.96Å; E310-R328 IonicContact OE2-NH1 2.96Å; E310-R328 PolarHBondContact OE2-NH1 3.18Å; E310-R328 IonicContact OE2-NH2 3.33Å; L325-R328 WeakPolarHBondContact O-CA 3.4Å; L325-R328 WeakPolarHBondContact O-CB 3.42Å; L325-R328 PolarHBondContact O-N 2.96Å; Y326-R328 PolarHBondContact O-N 3.21Å; Y326-R328 VanDerWaalsContact O-N 3.09Å; R328-R330 PolarHBondContact O-N 3.13Å; R328-L331 HydrophobicContact CB-CD1 4.47Å; R328-L331 WeakPolarHBondContact O-CB 3.16Å; R328-L331 PolarHBondContact O-N 2.89Å; R328-L331 VanDerWaalsContact O-N 3.15Å; R328-W334 HydrophobicContact CB-CE3 4.18Å; R328-W334 HydrophobicContact CB-CZ3 4.02Å
329	T	96.1	Very high	95.7	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.055	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-69.9	-11.5	179.4	80	0	0	0	0	112.7	F295 L325 Y326 P327 W334	F295-T329 HydrophobicContact CE1-CG2 4.34Å; F295-T329 HydrophobicContact CZ-CG2 4.1Å; L325-T329 HydrophobicContact CD2-CG2 4.06Å; Y326-T329 PolarHBondContact O-N 3.2Å; Y326-T329 PolarHBondContact O-OG1 2.86Å; P327-T329 VanDerWaalsContact C-N 3.32Å; P327-T329 PolarHBondContact O-N 3.13Å; T329-W334 HydrophobicContact CG2-CD2 4.28Å; T329-W334 HydrophobicContact CG2-CE3 4.28Å; T329-W334 HydrophobicContact CG2-CH2 3.8Å; T329-W334 HydrophobicContact CG2-CZ2 3.79Å; T329-W334 HydrophobicContact CG2-CZ3 4.04Å
330	R	94.4	Very high	95.8	Very high	136 Å²	136	59.1 Å²	59.1	51%	0.513	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-96.3	-8.3	177.3	-53.7	-59.7	-65.5	-179.6	4.6	112.8	Y326 P327 R328 E342	Y326-R330 HydrophobicContact CE1-CG 4.17Å; P327-R330 PolarHBondContact O-N 2.97Å; R328-R330 PolarHBondContact O-N 3.13Å; R330-E342 IonicContact NH1-OE1 2.87Å; R330-E342 PolarHBondContact NH1-OE1 3.04Å
331	L	95.8	Very high	96	Very high	99 Å²	99	60.6 Å²	60.6	52%	0.518	32%	0.324	S	S	.	.	S	Bend	trans	-72.5	146.1	177.2	-60.9	175.1	0	0	0	110.6	R328 T333 W334	R328-L331 HydrophobicContact CB-CD1 4.47Å; R328-L331 WeakPolarHBondContact O-CB 3.16Å; R328-L331 PolarHBondContact O-N 2.89Å; R328-L331 VanDerWaalsContact O-N 3.15Å; L331-T333 PolarHBondContact O-N 2.79Å; L331-W334 VanDerWaalsContact O-CB 3.29Å; L331-W334 WeakPolarHBondContact O-CB 3.45Å; L331-W334 PolarHBondContact O-N 2.87Å
332	A	95.5	Very high	96	Very high	112 Å²	112	60.5 Å²	60.5	93%	0.926	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.9	175.4	0	0	0	0	0	113	W334	A332-W334 VanDerWaalsContact C-N 3.25Å; A332-W334 PolarHBondContact O-N 3.42Å
333	T	96.5	Very high	96.1	Very high	122 Å²	122	60.2 Å²	60.2	75%	0.748	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.7	176.3	56.2	0	0	0	0	113.5	L331	L331-T333 PolarHBondContact O-N 2.79Å
334	W	96.6	Very high	96.3	Very high	29 Å²	29	59 Å²	59	11%	0.11	32%	0.318	C	S	.	.	S	Bend	trans	-70.8	129.2	177.9	-170.4	-92.3	0	0	0	110.7	F295 M303 L325 R328 T329 L331 A332 S336 F338	F295-W334 HydrophobicContact CD1-CZ2 4.5Å; F295-W334 AromaticContact CE1-CZ2 3.79Å; F295-W334 HydrophobicContact CE1-CZ2 3.79Å; M303-W334 HydrophobicContact CG-CH2 3.48Å; M303-W334 VanDerWaalsContact CG-CH2 3.48Å; M303-W334 HydrophobicContact CG-CZ2 3.82Å; M303-W334 HydrophobicContact CG-CZ3 4.12Å; M303-W334 HydrophobicContact SD-CH2 4.19Å; M303-W334 HydrophobicContact SD-CZ2 3.93Å; L325-W334 HydrophobicContact CD2-CH2 4.1Å; R328-W334 HydrophobicContact CB-CE3 4.18Å; R328-W334 HydrophobicContact CB-CZ3 4.02Å; T329-W334 HydrophobicContact CG2-CD2 4.28Å; T329-W334 HydrophobicContact CG2-CE3 4.28Å; T329-W334 HydrophobicContact CG2-CH2 3.8Å; T329-W334 HydrophobicContact CG2-CZ2 3.79Å; T329-W334 HydrophobicContact CG2-CZ3 4.04Å; L331-W334 VanDerWaalsContact O-CB 3.29Å; L331-W334 WeakPolarHBondContact O-CB 3.45Å; L331-W334 PolarHBondContact O-N 2.87Å; A332-W334 VanDerWaalsContact C-N 3.25Å; A332-W334 PolarHBondContact O-N 3.42Å; W334-S336 PolarHBondContact O-N 3.11Å; W334-F338 PolarHBondContact NE1-O 2.9Å
335	P	96.5	Very high	96.5	Very high	44 Å²	44	57.1 Å²	57.1	29%	0.286	31%	0.306	S	S	.	.			trans	-59.1	125.9	-178.5	-25.4	35.5	0	0	0	112.3	M303 Q337 F338 K339	M303-P335 HydrophobicContact CE-CG 3.8Å; P335-Q337 VanDerWaalsContact C-N 3.28Å; P335-Q337 VanDerWaalsContact CB-OE1 3.28Å; P335-Q337 PolarHBondContact O-N 3.4Å; P335-F338 HydrophobicContact CB-CD2 3.95Å; P335-F338 HydrophobicContact CG-CD2 4.47Å; P335-F338 CarbonylContact O-C 3.59Å; P335-F338 PolarHBondContact O-N 2.99Å; P335-K339 PolarHBondContact O-N 3.27Å
336	S	95	Very high	96.7	Very high	87 Å²	87	61.8 Å²	61.8	61%	0.608	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-60.1	-36.6	-172.6	55.5	0	0	0	0	113.1	W334 F338 K339	W334-S336 PolarHBondContact O-N 3.11Å; S336-F338 PolarHBondContact O-N 3.02Å; S336-K339 WeakPolarHBondContact O-CG 3.35Å; S336-K339 PolarHBondContact O-N 2.86Å
337	Q	95.3	Very high	96.8	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-67.3	-15.9	177.8	72.6	-83.3	31.5	0	0	114.1	P335	P335-Q337 VanDerWaalsContact C-N 3.28Å; P335-Q337 VanDerWaalsContact CB-OE1 3.28Å; P335-Q337 PolarHBondContact O-N 3.4Å
338	F	96.6	Very high	96.9	Very high	30 Å²	30	61.6 Å²	61.6	13%	0.132	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-116	19.7	178.4	-56.2	-50.1	0	0	0	112.2	F295 P296 E298 A299 M303 W334 P335 S336	F295-F338 WeakPolarHBondContact CD1-O 3.31Å; F295-F338 WeakPolarHBondContact CE1-O 3.49Å; P296-F338 HydrophobicContact CG-CD1 4Å; P296-F338 HydrophobicContact CG-CE1 4.5Å; E298-F338 HydrophobicContact CB-CE1 4.3Å; A299-F338 HydrophobicContact CB-CD1 3.9Å; A299-F338 HydrophobicContact CB-CE1 4.27Å; A299-F338 HydrophobicContact CB-CG 4.4Å; M303-F338 HydrophobicContact CE-CD2 3.89Å; M303-F338 HydrophobicContact CE-CE2 4.35Å; M303-F338 HydrophobicContact SD-CB 4Å; M303-F338 HydrophobicContact SD-CD2 3.69Å; M303-F338 HydrophobicContact SD-CG 4.12Å; W334-F338 PolarHBondContact NE1-O 2.9Å; P335-F338 HydrophobicContact CB-CD2 3.95Å; P335-F338 HydrophobicContact CG-CD2 4.47Å; P335-F338 CarbonylContact O-C 3.59Å; P335-F338 PolarHBondContact O-N 2.99Å; S336-F338 PolarHBondContact O-N 3.02Å
339	K	96.2	Very high	97.1	Very high	135 Å²	135	57.5 Å²	57.5	59%	0.587	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-57.4	135.6	169.3	-78.9	-178.7	176	-175.9	0	109.6	P335 S336	P335-K339 PolarHBondContact O-N 3.27Å; S336-K339 WeakPolarHBondContact O-CG 3.35Å; S336-K339 PolarHBondContact O-N 2.86Å
340	P	97.6	Very high	97.2	Very high	7 Å²	7	57 Å²	57	5%	0.045	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.3	143	-177.9	26	-32.7	0	0	0	111.6	N131 C293 L294 F295 E342	N131-P340 PolarHBondContact ND2-O 2.98Å; C293-P340 HydrophobicContact CB-CB 4.12Å; L294-P340 WeakPolarHBondContact O-CA 3.26Å; F295-P340 HydrophobicContact CD1-CB 4.4Å; F295-P340 HydrophobicContact CE1-CB 3.77Å; F295-P340 HydrophobicContact CE1-CG 4.31Å; F295-P340 HydrophobicContact CE2-CB 4.33Å; F295-P340 HydrophobicContact CZ-CB 3.73Å; F295-P340 HydrophobicContact CZ-CG 4.37Å; P340-E342 HydrophobicContact CB-CG 4.09Å; P340-E342 HydrophobicContact CG-CG 3.94Å; P340-E342 PolarHBondContact O-N 2.65Å
341	V	98.2	Very high	97.4	Very high	31 Å²	31	50.6 Å²	50.6	19%	0.188	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.6	155.8	179	0	0	0	0	106.7	N131 V132 C293 L294 V343 W357	N131-V341 WeakPolarHBondContact OD1-CA 3.4Å; V132-V341 HydrophobicContact CB-CG1 3.88Å; V132-V341 HydrophobicContact CG2-CG1 4.02Å; C293-V341 CarbonylContact C-O 3.57Å; C293-V341 WeakPolarHBondContact CA-O 3.35Å; L294-V341 HydrophobicContact CB-CB 4.26Å; L294-V341 HydrophobicContact CD1-CB 4.34Å; L294-V341 HydrophobicContact CD1-CG1 4.28Å; L294-V341 WeakPolarHBondContact CD1-O 3.3Å; L294-V341 PolarHBondContact N-O 3.17Å; L294-V341 PolarHBondContact O-N 3.33Å; V341-V343 HydrophobicContact CG1-CG2 4.32Å; V341-W357 HydrophobicContact CG2-CH2 4.18Å; V341-W357 HydrophobicContact CG2-CZ3 3.88Å
342	E	98.3	Very high	97.5	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.6	-176.2	-61.1	-164.9	-126.2	0	0	110.1	F128 E129 D130 N131 R291 W292 Y326 R330 P340	F128-E342 WeakPolarHBondContact CB-OE2 3.31Å; F128-E342 HydrophobicContact CD2-CB 3.92Å; F128-E342 HydrophobicContact CE2-CB 4.28Å; E129-E342 WeakPolarHBondContact O-CB 3.39Å; D130-E342 WeakPolarHBondContact CA-O 3.46Å; N131-E342 PolarHBondContact N-O 3.21Å; N131-E342 PolarHBondContact OD1-N 3.2Å; N131-E342 PolarHBondContact OD1-O 2.88Å; R291-E342 IonicContact NH2-OE2 2.75Å; W292-E342 WeakPolarHBondContact O-CA 3.45Å; Y326-E342 WeakPolarHBondContact CE2-OE2 3.36Å; Y326-E342 VanDerWaalsContact CZ-OE2 3.24Å; Y326-E342 PolarHBondContact OH-OE1 3.13Å; Y326-E342 PolarHBondContact OH-OE2 3.47Å; R330-E342 IonicContact NH1-OE1 2.87Å; R330-E342 PolarHBondContact NH1-OE1 3.04Å; P340-E342 HydrophobicContact CB-CG 4.09Å; P340-E342 HydrophobicContact CG-CG 3.94Å; P340-E342 PolarHBondContact O-N 2.65Å
343	V	98.6	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.8	-175.3	-168.3	0	0	0	0	111.3	V132 V157 R291 W292 L294 V341 Q345 I351	V132-V343 HydrophobicContact CB-CG2 3.75Å; V132-V343 HydrophobicContact CG1-CB 4.02Å; V132-V343 HydrophobicContact CG1-CG1 3.59Å; V132-V343 HydrophobicContact CG1-CG2 3.5Å; V132-V343 HydrophobicContact CG2-CG2 4.28Å; V157-V343 HydrophobicContact CG2-CG1 3.72Å; R291-V343 CarbonylContact C-O 3.55Å; R291-V343 WeakPolarHBondContact CA-O 3.41Å; W292-V343 HydrophobicContact CB-CB 3.95Å; W292-V343 HydrophobicContact CB-CG2 4.24Å; W292-V343 HydrophobicContact CG-CB 4.29Å; W292-V343 PolarHBondContact N-O 2.69Å; W292-V343 PolarHBondContact O-N 2.82Å; L294-V343 HydrophobicContact CD1-CG2 3.87Å; V341-V343 HydrophobicContact CG1-CG2 4.32Å; V343-Q345 HydrophobicContact CG1-CB 4.45Å; V343-I351 HydrophobicContact CB-CD1 4.47Å; V343-I351 HydrophobicContact CG1-CD1 4.42Å; V343-I351 HydrophobicContact CG2-CD1 4.03Å
344	L	98.5	Very high	97.8	Very high	48 Å²	48	34.9 Å²	34.9	25%	0.251	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	91.7	159.3	-176.4	58.4	0	0	0	108.6	F128 D130 R134 H289 K346 L364	F128-L344 HydrophobicContact CE1-CB 4.47Å; F128-L344 HydrophobicContact CE2-CB 4.17Å; F128-L344 HydrophobicContact CZ-CB 3.59Å; F128-L344 HydrophobicContact CZ-CD1 4.22Å; F128-L344 HydrophobicContact CZ-CG 4.4Å; D130-L344 WeakPolarHBondContact OD2-CA 3.32Å; D130-L344 WeakPolarHBondContact OD2-CB 3.32Å; D130-L344 PolarHBondContact OD2-N 2.89Å; R134-L344 PolarHBondContact NH2-O 3Å; H289-L344 HydrophobicContact CB-CD1 4.28Å; L344-K346 PolarHBondContact O-N 3.27Å; L344-L364 HydrophobicContact CD1-CD1 3.49Å; L344-L364 VanDerWaalsContact CD1-CD1 3.49Å
345	Q	98.7	Very high	97.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.9	176.8	-170	-175.6	13.9	0	0	109.8	N283 L285 H289 K290 V343 E349	N283-Q345 PolarHBondContact O-NE2 3.46Å; L285-Q345 HydrophobicContact CB-CG 3.98Å; L285-Q345 HydrophobicContact CD2-CB 4.07Å; L285-Q345 HydrophobicContact CD2-CG 3.78Å; L285-Q345 WeakPolarHBondContact CD2-O 3.47Å; H289-Q345 WeakPolarHBondContact CA-O 3.44Å; K290-Q345 HydrophobicContact CB-CB 4.19Å; K290-Q345 PolarHBondContact N-O 3.17Å; K290-Q345 VanDerWaalsContact N-O 3.1Å; K290-Q345 PolarHBondContact O-N 3.43Å; V343-Q345 HydrophobicContact CG1-CB 4.45Å; Q345-E349 WeakPolarHBondContact CA-OE2 3.05Å; Q345-E349 HydrophobicContact CG-CB 4.03Å; Q345-E349 PolarHBondContact NE2-O 3.24Å
346	K	98.5	Very high	97.8	Very high	100 Å²	100	31.6 Å²	31.6	44%	0.435	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-100.9	162.6	-177.5	-61.7	172.5	-174.8	173.5	0	111.8	L344 G348 E349	L344-K346 PolarHBondContact O-N 3.27Å; K346-G348 PolarHBondContact O-N 3.01Å; K346-E349 HydrophobicContact CB-CG 4.16Å; K346-E349 PolarHBondContact N-OE2 3.31Å; K346-E349 WeakPolarHBondContact O-CB 3.38Å; K346-E349 PolarHBondContact O-N 2.97Å; K346-E349 VanDerWaalsContact O-N 3.14Å
347	P	98.3	Very high	97.9	Very high	65 Å²	65	29 Å²	29	42%	0.422	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	133	173.4	-23.9	32.3	0	0	0	112.1	G288 E349	G288-P347 VanDerWaalsContact O-CD 3.25Å; G288-P347 WeakPolarHBondContact O-CD 3.48Å; G288-P347 VanDerWaalsContact O-CG 3.3Å; G288-P347 WeakPolarHBondContact O-CG 3.22Å; P347-E349 VanDerWaalsContact C-N 3.33Å
348	G	98.2	Very high	98.1	Very high	14 Å²	14	24.1 Å²	24.1	14%	0.144	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-1	-178.5	0	0	0	0	0	114.8	V162 L285 K346	V162-G348 VanDerWaalsContact CG2-O 3.25Å; V162-G348 WeakPolarHBondContact CG2-O 3.25Å; L285-G348 PolarHBondContact O-N 3.19Å; K346-G348 PolarHBondContact O-N 3.01Å
349	E	98.7	Very high	98.2	Very high	15 Å²	15	23 Å²	23	7%	0.07	12%	0.117	C	C	.	.			trans	-91.8	143.1	174.7	-64.2	-173.1	150.6	0	0	111.9	R134 V157 T159 L285 Q345 K346 P347	R134-E349 IonicContact CZ-OE1 3.25Å; R134-E349 IonicContact NE-OE1 2.67Å; R134-E349 PolarHBondContact NE-OE1 3.48Å; R134-E349 IonicContact NE-OE2 2.96Å; R134-E349 IonicContact NH2-OE1 2.89Å; R134-E349 IonicContact NH2-OE2 3.8Å; V157-E349 HydrophobicContact CG1-CB 3.87Å; V157-E349 HydrophobicContact CG1-CG 4.05Å; T159-E349 HydrophobicContact CG2-CG 4.44Å; L285-E349 PolarHBondContact N-O 2.59Å; Q345-E349 WeakPolarHBondContact CA-OE2 3.05Å; Q345-E349 HydrophobicContact CG-CB 4.03Å; Q345-E349 PolarHBondContact NE2-O 3.24Å; K346-E349 HydrophobicContact CB-CG 4.16Å; K346-E349 PolarHBondContact N-OE2 3.31Å; K346-E349 WeakPolarHBondContact O-CB 3.38Å; K346-E349 PolarHBondContact O-N 2.97Å; K346-E349 VanDerWaalsContact O-N 3.14Å; P347-E349 VanDerWaalsContact C-N 3.33Å
350	L	98.7	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122	171.4	178.6	157.9	0	0	0	109.2	L158 L161 V162 P239 F242 W282 N283 A284	L158-L350 HydrophobicContact CB-CD2 4.33Å; L158-L350 HydrophobicContact CD1-CD2 4.08Å; L158-L350 HydrophobicContact CG-CD2 4.42Å; L158-L350 PolarHBondContact N-O 3.17Å; L158-L350 PolarHBondContact O-N 3.3Å; L161-L350 HydrophobicContact CD2-CD1 4.3Å; V162-L350 HydrophobicContact CG1-CB 4.21Å; V162-L350 HydrophobicContact CG1-CD1 3.87Å; P239-L350 HydrophobicContact CG-CD1 3.79Å; F242-L350 HydrophobicContact CE2-CD1 3.83Å; F242-L350 HydrophobicContact CE2-CD2 3.65Å; F242-L350 HydrophobicContact CE2-CG 4.43Å; F242-L350 HydrophobicContact CZ-CD2 3.65Å; W282-L350 HydrophobicContact CB-CD1 4.37Å; W282-L350 HydrophobicContact CB-CD2 3.88Å; W282-L350 HydrophobicContact CB-CG 4.27Å; W282-L350 HydrophobicContact CD2-CD1 4.34Å; W282-L350 HydrophobicContact CE3-CD1 3.9Å; N283-L350 WeakPolarHBondContact O-CA 3.26Å; A284-L350 HydrophobicContact CB-CB 4.41Å; A284-L350 HydrophobicContact CB-CD1 4.17Å; A284-L350 HydrophobicContact CB-CG 4.38Å
351	I	98.8	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133	173	-173.6	171.2	0	0	0	110.2	V157 W282 N283 W292 L294 V343 V353	V157-I351 HydrophobicContact CG2-CB 4.28Å; V157-I351 HydrophobicContact CG2-CD1 4.49Å; V157-I351 HydrophobicContact CG2-CG1 4.21Å; W282-I351 CarbonylContact C-O 3.56Å; W282-I351 VanDerWaalsContact CA-O 3.26Å; W282-I351 WeakPolarHBondContact CA-O 2.96Å; N283-I351 HydrophobicContact CB-CG2 3.78Å; N283-I351 PolarHBondContact N-O 3.42Å; N283-I351 PolarHBondContact O-N 3.11Å; W292-I351 HydrophobicContact CD2-CD1 4.06Å; W292-I351 HydrophobicContact CE3-CD1 4.16Å; W292-I351 HydrophobicContact CG-CD1 4.31Å; W292-I351 HydrophobicContact CH2-CG2 3.83Å; W292-I351 HydrophobicContact CZ2-CG2 3.63Å; W292-I351 HydrophobicContact CZ3-CG2 4.33Å; L294-I351 HydrophobicContact CD1-CD1 4.33Å; V343-I351 HydrophobicContact CB-CD1 4.47Å; V343-I351 HydrophobicContact CG1-CD1 4.42Å; V343-I351 HydrophobicContact CG2-CD1 4.03Å; I351-V353 HydrophobicContact CG1-CG2 4.39Å
352	F	98.7	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.7	167.6	167.4	-116.2	0	0	0	109.6	F145 E150 V156 F242 H280 P354 Y374	F145-F352 HydrophobicContact CE2-CB 4.42Å; F145-F352 HydrophobicContact CE2-CD1 4.05Å; F145-F352 HydrophobicContact CE2-CD2 4.44Å; F145-F352 HydrophobicContact CE2-CE1 4.4Å; F145-F352 HydrophobicContact CE2-CG 4.05Å; F145-F352 HydrophobicContact CZ-CD1 4.07Å; F145-F352 AromaticContact CZ-CD2 3.86Å; F145-F352 HydrophobicContact CZ-CD2 3.86Å; F145-F352 HydrophobicContact CZ-CE1 4.12Å; F145-F352 AromaticContact CZ-CE2 3.95Å; F145-F352 HydrophobicContact CZ-CE2 3.95Å; F145-F352 AromaticContact CZ-CG 3.92Å; F145-F352 HydrophobicContact CZ-CG 3.92Å; F145-F352 HydrophobicContact CZ-CZ 4.07Å; E150-F352 HydrophobicContact CB-CZ 4.38Å; E150-F352 HydrophobicContact CG-CZ 3.98Å; V156-F352 HydrophobicContact CG1-CB 3.99Å; V156-F352 HydrophobicContact CG1-CD1 4.12Å; V156-F352 PolarHBondContact O-N 3.2Å; F242-F352 HydrophobicContact CE1-CD2 4.03Å; H280-F352 HydrophobicContact CB-CE2 3.93Å; H280-F352 AromaticContact CG-CE2 3.95Å; H280-F352 AromaticContact ND1-CE2 3.92Å; H280-F352 AromaticContact ND1-CZ 3.78Å; F352-P354 HydrophobicContact CD1-CG 4.15Å; F352-P354 HydrophobicContact CE1-CB 4.11Å; F352-P354 HydrophobicContact CE1-CG 3.62Å; F352-P354 HydrophobicContact CZ-CB 4.06Å; F352-P354 HydrophobicContact CZ-CG 4.06Å; F352-Y374 HydrophobicContact CE2-CE1 4.28Å; F352-Y374 WeakPolarHBondContact CE2-OH 3.36Å
353	V	98.7	Very high	98.4	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.3	178.7	-176.1	0	0	0	0	108.3	A281 W292 L294 I351 W357	A281-V353 HydrophobicContact CB-CB 4.39Å; A281-V353 PolarHBondContact N-O 2.87Å; A281-V353 PolarHBondContact O-N 3.02Å; W292-V353 HydrophobicContact CZ3-CG2 4.07Å; L294-V353 HydrophobicContact CD2-CG1 4.3Å; L294-V353 HydrophobicContact CD2-CG2 4.36Å; I351-V353 HydrophobicContact CG1-CG2 4.39Å; V353-W357 HydrophobicContact CG1-CB 4.45Å
354	P	98.2	Very high	98.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.088	C	C	.	.			trans	-66.2	147.1	178.4	-11	22.1	0	0	0	111.4	R153 P155 H280 F352 G356 W357	R153-P354 VanDerWaalsContact C-CG 3.44Å; R153-P354 HydrophobicContact CB-CB 3.76Å; R153-P354 HydrophobicContact CB-CG 4.38Å; R153-P354 HydrophobicContact CG-CB 4.31Å; R153-P354 WeakPolarHBondContact O-CG 3.41Å; P155-P354 HydrophobicContact CG-CG 4.15Å; H280-P354 WeakPolarHBondContact ND1-CA 3.46Å; F352-P354 HydrophobicContact CD1-CG 4.15Å; F352-P354 HydrophobicContact CE1-CB 4.11Å; F352-P354 HydrophobicContact CE1-CG 3.62Å; F352-P354 HydrophobicContact CZ-CB 4.06Å; F352-P354 HydrophobicContact CZ-CG 4.06Å; P354-G356 PolarHBondContact O-N 3.3Å; P354-W357 HydrophobicContact CG-CG 4.49Å; P354-W357 PolarHBondContact O-N 3.09Å
355	G	97.1	Very high	98.3	Very high	3 Å²	3	16.9 Å²	16.9	3%	0.031	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	141.6	177.4	0	0	0	0	0	110.6	T279 H280 M424	T279-G355 VanDerWaalsContact O-CA 3.29Å; T279-G355 WeakPolarHBondContact O-CA 3.43Å; H280-G355 PolarHBondContact ND1-N 3.13Å; G355-M424 WeakPolarHBondContact O-CE 3.19Å
356	G	96.4	Very high	98.2	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-19.3	-178.8	0	0	0	0	0	115.7	P297 P354 W358	P297-G356 WeakPolarHBondContact CA-O 3.37Å; P354-G356 PolarHBondContact O-N 3.3Å; G356-W358 PolarHBondContact O-N 3.22Å
357	W	98.1	Very high	98.2	Very high	31 Å²	31	14.3 Å²	14.3	12%	0.117	8%	0.082	C	C	.	.			trans	-69	129	177.6	-79.2	72.7	0	0	0	111.2	R153 P155 L294 F295 P296 V341 V353 P354 H359	R153-W357 WeakPolarHBondContact O-CZ2 3.4Å; R153-W357 PolarHBondContact O-NE1 2.94Å; P155-W357 HydrophobicContact CG-CD2 3.64Å; P155-W357 HydrophobicContact CG-CE3 3.67Å; P155-W357 HydrophobicContact CG-CG 4.35Å; P155-W357 HydrophobicContact CG-CH2 3.76Å; P155-W357 HydrophobicContact CG-CZ2 3.74Å; P155-W357 HydrophobicContact CG-CZ3 3.73Å; L294-W357 HydrophobicContact CB-CE3 3.81Å; L294-W357 HydrophobicContact CB-CZ3 4.25Å; F295-W357 VanDerWaalsContact C-CE3 3.41Å; F295-W357 VanDerWaalsContact O-CE3 3.28Å; P296-W357 HydrophobicContact CB-CH2 4.32Å; P296-W357 HydrophobicContact CB-CZ2 4.48Å; P296-W357 HydrophobicContact CB-CZ3 4.46Å; V341-W357 HydrophobicContact CG2-CH2 4.18Å; V341-W357 HydrophobicContact CG2-CZ3 3.88Å; V353-W357 HydrophobicContact CG1-CB 4.45Å; P354-W357 HydrophobicContact CG-CG 4.49Å; P354-W357 PolarHBondContact O-N 3.09Å; W357-H359 PolarHBondContact O-ND1 3.19Å
358	W	98.3	Very high	98.2	Very high	19 Å²	19	11.2 Å²	11.2	7%	0.072	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	134.2	166.3	-65.1	102	0	0	0	108.4	I272 H273 I274 L294 F295 A299 K301 V304 K305 G356	I272-W358 HydrophobicContact CD1-CB 4.27Å; I272-W358 HydrophobicContact CG1-CB 4.23Å; I272-W358 HydrophobicContact CG1-CE3 4.43Å; H273-W358 CarbonylContact O-C 3.6Å; H273-W358 WeakPolarHBondContact O-CA 3.38Å; I274-W358 HydrophobicContact CD1-CD2 3.56Å; I274-W358 VanDerWaalsContact CD1-CE2 3.44Å; I274-W358 HydrophobicContact CD1-CE3 3.74Å; I274-W358 HydrophobicContact CD1-CG 4.18Å; I274-W358 HydrophobicContact CD1-CH2 3.67Å; I274-W358 HydrophobicContact CD1-CZ2 3.54Å; I274-W358 HydrophobicContact CD1-CZ3 3.74Å; I274-W358 HydrophobicContact CG1-CD2 3.61Å; I274-W358 HydrophobicContact CG1-CE3 3.53Å; I274-W358 HydrophobicContact CG1-CG 4.04Å; I274-W358 HydrophobicContact CG1-CH2 4.3Å; I274-W358 HydrophobicContact CG1-CZ2 4.42Å; I274-W358 HydrophobicContact CG1-CZ3 3.84Å; L294-W358 CarbonylContact C-O 3.6Å; L294-W358 WeakPolarHBondContact CA-O 3.25Å; F295-W358 HydrophobicContact CB-CB 4.04Å; F295-W358 HydrophobicContact CD2-CB 4.35Å; F295-W358 PolarHBondContact N-O 2.85Å; F295-W358 PolarHBondContact O-N 2.94Å; A299-W358 PolarHBondContact O-NE1 2.96Å; K301-W358 HydrophobicContact CB-CH2 4.44Å; K301-W358 HydrophobicContact CB-CZ2 4.1Å; K301-W358 HydrophobicContact CG-CH2 4.08Å; K301-W358 HydrophobicContact CG-CZ2 4.25Å; V304-W358 HydrophobicContact CG2-CD2 3.79Å; V304-W358 HydrophobicContact CG2-CE3 4.3Å; V304-W358 HydrophobicContact CG2-CG 3.94Å; V304-W358 HydrophobicContact CG2-CZ2 4.48Å; K305-W358 HydrophobicContact CD-CH2 4.42Å; K305-W358 HydrophobicContact CD-CZ3 4.24Å; G356-W358 PolarHBondContact O-N 3.22Å
359	H	98.7	Very high	98.3	Very high	8 Å²	8	10.5 Å²	10.5	4%	0.037	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140.5	177.2	57.4	-83.2	0	0	0	111.8	I272 H273 D275 C293 L294 W357	I272-H359 WeakPolarHBondContact CA-O 3.4Å; H273-H359 AromaticContact CD2-NE2 3.83Å; H273-H359 AromaticContact CE1-CD2 3.47Å; H273-H359 PolarHBondContact CE1-CD2 3.12Å; H273-H359 VanDerWaalsContact CE1-CD2 3.47Å; H273-H359 AromaticContact CE1-NE2 3.17Å; H273-H359 PolarHBondContact CE1-NE2 3.32Å; H273-H359 PolarHBondContact N-O 2.88Å; H273-H359 AromaticContact ND1-NE2 3.93Å; H273-H359 PolarHBondContact ND1-O 2.88Å; H273-H359 AromaticContact NE2-CD2 3.93Å; H273-H359 AromaticContact NE2-CE1 3.83Å; H273-H359 AromaticContact NE2-NE2 3.15Å; H273-H359 PolarHBondContact NE2-NE2 3.47Å; H273-H359 VanDerWaalsContact NE2-NE2 3.15Å; H273-H359 PolarHBondContact O-N 3.17Å; H273-H359 PolarHBondContact O-ND1 3.02Å; D275-H359 IonicContact OD2-CE1 3.28Å; D275-H359 IonicContact OD2-NE2 3.39Å; C293-H359 WeakPolarHBondContact O-CA 2.99Å; L294-H359 HydrophobicContact CD2-CB 4.16Å; L294-H359 HydrophobicContact CG-CB 4Å; W357-H359 PolarHBondContact O-ND1 3.19Å
360	V	98.6	Very high	98.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141	176	58.9	0	0	0	0	109	I272 W292 C293 A318 W321 F322	I272-V360 HydrophobicContact CB-CB 3.86Å; I272-V360 HydrophobicContact CB-CG2 4.41Å; I272-V360 HydrophobicContact CD1-CB 4.47Å; I272-V360 HydrophobicContact CD1-CG1 4.43Å; I272-V360 HydrophobicContact CG1-CB 4.15Å; W292-V360 WeakPolarHBondContact CA-O 3.23Å; C293-V360 HydrophobicContact CB-CG1 3.74Å; C293-V360 PolarHBondContact N-O 3.15Å; C293-V360 VanDerWaalsContact N-O 3.16Å; C293-V360 PolarHBondContact O-N 2.86Å; A318-V360 HydrophobicContact CB-CG2 4.17Å; W321-V360 HydrophobicContact CB-CG2 4.15Å; W321-V360 HydrophobicContact CD2-CB 4.33Å; W321-V360 HydrophobicContact CD2-CG1 3.82Å; W321-V360 HydrophobicContact CD2-CG2 4.11Å; W321-V360 HydrophobicContact CE3-CB 4.42Å; W321-V360 HydrophobicContact CE3-CG1 3.58Å; W321-V360 HydrophobicContact CE3-CG2 4.17Å; W321-V360 HydrophobicContact CG-CG2 4.1Å; W321-V360 HydrophobicContact CH2-CG1 3.93Å; W321-V360 HydrophobicContact CZ2-CG1 4.12Å; W321-V360 HydrophobicContact CZ3-CG1 3.63Å; F322-V360 HydrophobicContact CD2-CG2 4.45Å; F322-V360 HydrophobicContact CE2-CG1 4.23Å; F322-V360 HydrophobicContact CE2-CG2 4.02Å; F322-V360 HydrophobicContact CZ-CG1 4.28Å
361	V	98.7	Very high	98.3	Very high	7 Å²	7	10.4 Å²	10.4	4%	0.042	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126	-173.1	-164.8	0	0	0	0	110.6	G269 T270 K290 R291 W292 A318	G269-V361 CarbonylContact C-O 3.55Å; G269-V361 WeakPolarHBondContact CA-O 3.41Å; T270-V361 PolarHBondContact N-O 3.12Å; T270-V361 PolarHBondContact O-N 2.94Å; T270-V361 VanDerWaalsContact O-N 3.08Å; K290-V361 HydrophobicContact CB-CG1 3.97Å; K290-V361 HydrophobicContact CD-CG1 4.07Å; K290-V361 HydrophobicContact CG-CG1 4.26Å; R291-V361 WeakPolarHBondContact O-CA 3.21Å; W292-V361 HydrophobicContact CD2-CB 4.3Å; W292-V361 HydrophobicContact CD2-CG1 3.89Å; W292-V361 HydrophobicContact CD2-CG2 3.56Å; W292-V361 HydrophobicContact CE3-CB 4.4Å; W292-V361 HydrophobicContact CE3-CG1 4.42Å; W292-V361 HydrophobicContact CE3-CG2 3.24Å; W292-V361 HydrophobicContact CG-CG1 4.28Å; W292-V361 HydrophobicContact CG-CG2 4.39Å; W292-V361 HydrophobicContact CH2-CG1 4.35Å; W292-V361 HydrophobicContact CH2-CG2 3.6Å; W292-V361 HydrophobicContact CZ2-CG1 3.83Å; W292-V361 HydrophobicContact CZ2-CG2 3.92Å; W292-V361 HydrophobicContact CZ3-CG2 3.25Å; A318-V361 WeakPolarHBondContact CB-O 3.47Å
362	I	98.5	Very high	98.2	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139	172	-167.5	169.9	0	0	0	110.5	F122 L124 K290 R291 A318 I319 F322 L364	F122-I362 HydrophobicContact CE1-CD1 4.2Å; L124-I362 HydrophobicContact CD2-CD1 3.68Å; L124-I362 HydrophobicContact CD2-CG1 4.19Å; K290-I362 WeakPolarHBondContact CA-O 3.44Å; R291-I362 HydrophobicContact CB-CG2 3.78Å; R291-I362 HydrophobicContact CG-CG2 4.38Å; R291-I362 PolarHBondContact N-O 3.03Å; R291-I362 PolarHBondContact O-N 3Å; A318-I362 HydrophobicContact CB-CB 4.2Å; I319-I362 HydrophobicContact CB-CD1 3.94Å; I319-I362 HydrophobicContact CG1-CD1 4.05Å; F322-I362 HydrophobicContact CD2-CB 3.75Å; F322-I362 HydrophobicContact CD2-CD1 4.24Å; F322-I362 HydrophobicContact CD2-CG2 3.56Å; F322-I362 HydrophobicContact CE1-CG2 4.47Å; F322-I362 HydrophobicContact CE2-CB 3.66Å; F322-I362 HydrophobicContact CE2-CG2 3.32Å; F322-I362 HydrophobicContact CG-CG2 4.26Å; F322-I362 HydrophobicContact CZ-CG2 3.83Å; I362-L364 HydrophobicContact CG2-CD2 4.11Å
363	N	98.6	Very high	98.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.6	174.3	-59.4	-37.9	0	0	0	108.7	Y217 P265 A266 R267 S268 K290 T367	Y217-N363 VanDerWaalsContact CE2-ND2 3.34Å; Y217-N363 WeakPolarHBondContact CE2-ND2 3.31Å; Y217-N363 PolarHBondContact OH-ND2 2.88Å; P265-N363 WeakPolarHBondContact O-CB 3.45Å; A266-N363 CarbonylContact C-O 3.48Å; A266-N363 WeakPolarHBondContact CA-O 3.46Å; R267-N363 PolarHBondContact N-O 2.95Å; S268-N363 VanDerWaalsContact O-CB 3.28Å; S268-N363 WeakPolarHBondContact O-CB 3.36Å; S268-N363 VanDerWaalsContact O-CG 3.31Å; S268-N363 PolarHBondContact O-N 3.12Å; S268-N363 PolarHBondContact O-ND2 3.06Å; S268-N363 VanDerWaalsContact O-ND2 3.14Å; S268-N363 PolarHBondContact OG-ND2 2.98Å; K290-N363 PolarHBondContact NZ-OD1 3.22Å; N363-T367 HydrophobicContact CB-CG2 3.8Å; N363-T367 PolarHBondContact ND2-OG1 3.21Å; N363-T367 PolarHBondContact OD1-OG1 3.11Å
364	L	97.9	Very high	98.2	Very high	33 Å²	33	11.4 Å²	11.4	17%	0.173	6%	0.06	C	C	.	.	S	Bend	trans	-80.7	-30.4	-179.8	-55.6	-174.4	0	0	0	111.4	L124 A266 H289 R291 L344 I362	L124-L364 HydrophobicContact CB-CD2 4.32Å; L124-L364 HydrophobicContact CD2-CD2 4.25Å; L124-L364 WeakPolarHBondContact O-CD2 3.19Å; A266-L364 WeakPolarHBondContact CB-O 3.5Å; H289-L364 HydrophobicContact CB-CB 4.26Å; H289-L364 HydrophobicContact CB-CD1 4.2Å; H289-L364 PolarHBondContact O-N 3.27Å; R291-L364 HydrophobicContact CB-CD1 4.2Å; R291-L364 HydrophobicContact CB-CD2 3.82Å; R291-L364 HydrophobicContact CB-CG 4.15Å; L344-L364 HydrophobicContact CD1-CD1 3.49Å; L344-L364 VanDerWaalsContact CD1-CD1 3.49Å; I362-L364 HydrophobicContact CG2-CD2 4.11Å
365	D	97.1	Very high	98.1	Very high	53 Å²	53	11.3 Å²	11.3	28%	0.283	6%	0.059	S	C	.	.	S	Bend	trans	-140.3	-161.5	178.1	59.4	18.6	0	0	0	110.2	P265 A266 G288 H289 T367	P265-D365 CarbonylContact C-O 3.47Å; A266-D365 PolarHBondContact N-O 3.2Å; G288-D365 WeakPolarHBondContact CA-OD1 3.43Å; G288-D365 WeakPolarHBondContact CA-OD2 3.49Å; H289-D365 IonicContact CE1-OD2 3.16Å; H289-D365 IonicContact CG-OD2 3.96Å; H289-D365 PolarHBondContact N-OD1 3.18Å; H289-D365 PolarHBondContact N-OD2 3.18Å; H289-D365 IonicContact ND1-OD2 3.02Å; H289-D365 PolarHBondContact ND1-OD2 3.26Å; D365-T367 PolarHBondContact O-N 3.45Å
366	T	97.6	Very high	98.1	Very high	45 Å²	45	11.3 Å²	11.3	28%	0.276	6%	0.059	S	C	.	.			trans	-72.3	108.3	174.9	-63.6	0	0	0	0	110.3	V173 I207 F263 G264	V173-T366 HydrophobicContact CG2-CG2 4.23Å; I207-T366 HydrophobicContact CG2-CG2 4.44Å; F263-T366 HydrophobicContact CD2-CG2 4.43Å; F263-T366 HydrophobicContact CE2-CG2 3.6Å; F263-T366 HydrophobicContact CZ-CG2 4.49Å; G264-T366 WeakPolarHBondContact O-CA 3.42Å
367	T	98.7	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.7	-176.7	65.6	0	0	0	0	113.1	F263 G264 L285 V287 H289 K290 N363 D365	F263-T367 WeakPolarHBondContact CA-O 3.48Å; F263-T367 VanDerWaalsContact CD2-O 3.3Å; F263-T367 WeakPolarHBondContact CD2-O 3.37Å; G264-T367 PolarHBondContact N-O 3.17Å; G264-T367 VanDerWaalsContact N-O 3.13Å; G264-T367 PolarHBondContact O-N 3.26Å; L285-T367 HydrophobicContact CD1-CG2 4.39Å; V287-T367 CarbonylContact O-C 3.56Å; V287-T367 WeakPolarHBondContact O-CA 3.4Å; H289-T367 WeakPolarHBondContact O-CG2 3.45Å; K290-T367 HydrophobicContact CG-CG2 3.97Å; K290-T367 PolarHBondContact NZ-OG1 2.87Å; N363-T367 HydrophobicContact CB-CG2 3.8Å; N363-T367 PolarHBondContact ND2-OG1 3.21Å; N363-T367 PolarHBondContact OD1-OG1 3.11Å; D365-T367 PolarHBondContact O-N 3.45Å
368	I	98.7	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.4	169	-54.2	165.7	0	0	0	108	W171 V173 L176 F261 V262 F263 I286 V287	W171-I368 HydrophobicContact CB-CG2 4.33Å; W171-I368 HydrophobicContact CD2-CG2 4.29Å; W171-I368 HydrophobicContact CE3-CG2 3.59Å; W171-I368 HydrophobicContact CZ3-CG2 4.26Å; W171-I368 VanDerWaalsContact O-CD1 3.24Å; W171-I368 WeakPolarHBondContact O-CD1 3.46Å; V173-I368 HydrophobicContact CG2-CD1 4.39Å; L176-I368 HydrophobicContact CD1-CD1 3.72Å; L176-I368 HydrophobicContact CD1-CG2 4.31Å; F261-I368 HydrophobicContact CE2-CG2 3.76Å; F261-I368 HydrophobicContact CZ-CG2 3.88Å; V262-I368 WeakPolarHBondContact O-CA 2.86Å; F263-I368 HydrophobicContact CD2-CG1 3.7Å; F263-I368 HydrophobicContact CE2-CD1 4.31Å; F263-I368 HydrophobicContact CE2-CG1 3.9Å; F263-I368 HydrophobicContact CG-CG1 4.11Å; F263-I368 HydrophobicContact CZ-CD1 4.46Å; F263-I368 HydrophobicContact CZ-CG1 4.45Å; I286-I368 WeakPolarHBondContact CA-O 3.43Å; I286-I368 WeakPolarHBondContact CB-O 3.39Å; I286-I368 PolarHBondContact N-O 3.13Å; V287-I368 HydrophobicContact CB-CB 4.06Å; V287-I368 HydrophobicContact CB-CD1 4.17Å; V287-I368 HydrophobicContact CB-CG1 4.22Å; V287-I368 HydrophobicContact CG2-CB 4.34Å; V287-I368 HydrophobicContact CG2-CD1 4.08Å; V287-I368 PolarHBondContact N-O 3.09Å; V287-I368 VanDerWaalsContact N-O 3.11Å; V287-I368 PolarHBondContact O-N 2.84Å
369	A	98.8	Very high	97.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	165.8	-174	0	0	0	0	0	112.2	V262 A284 L285	V262-A369 HydrophobicContact CB-CB 4.39Å; V262-A369 PolarHBondContact N-O 2.89Å; V262-A369 PolarHBondContact O-N 3.34Å; A284-A369 VanDerWaalsContact O-CA 3.26Å; A284-A369 WeakPolarHBondContact O-CA 3.42Å; A284-A369 VanDerWaalsContact O-CB 3.29Å; A284-A369 WeakPolarHBondContact O-CB 3.28Å; L285-A369 HydrophobicContact CD1-CB 4.09Å
370	V	98.6	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.9	166.5	58.9	0	0	0	0	109.3	W165 W171 Y236 W260 W282 A284	W165-V370 HydrophobicContact CH2-CG1 4.45Å; W165-V370 HydrophobicContact CZ3-CG1 3.82Å; W171-V370 HydrophobicContact CH2-CB 3.96Å; W171-V370 HydrophobicContact CH2-CG1 4.16Å; W171-V370 HydrophobicContact CZ3-CB 4.13Å; W171-V370 HydrophobicContact CZ3-CG1 4.26Å; Y236-V370 HydrophobicContact CD2-CG1 4.21Å; Y236-V370 HydrophobicContact CE1-CG2 4.07Å; Y236-V370 HydrophobicContact CE2-CG1 4.46Å; Y236-V370 HydrophobicContact CE2-CG2 4Å; Y236-V370 HydrophobicContact CG-CG1 4.3Å; W260-V370 WeakPolarHBondContact O-CA 3.39Å; W282-V370 HydrophobicContact CZ3-CG1 4.18Å; A284-V370 HydrophobicContact CB-CG1 4.12Å; A284-V370 PolarHBondContact N-O 2.85Å; A284-V370 PolarHBondContact O-N 3.32Å
371	T	98.7	Very high	97.6	Very high	13 Å²	13	19.3 Å²	19.3	8%	0.08	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.3	-179.2	-170.7	0	0	0	0	109.8	F219 K259 W260 V262 W282	F219-T371 HydrophobicContact CZ-CG2 4.43Å; K259-T371 WeakPolarHBondContact CA-O 3.18Å; W260-T371 HydrophobicContact CB-CG2 3.95Å; W260-T371 HydrophobicContact CE3-CG2 4.06Å; W260-T371 PolarHBondContact N-O 3.37Å; W260-T371 PolarHBondContact O-N 2.8Å; W260-T371 VanDerWaalsContact O-N 3.15Å; V262-T371 HydrophobicContact CG2-CG2 3.93Å; W282-T371 CarbonylContact O-C 3.59Å; W282-T371 WeakPolarHBondContact O-CA 3.45Å; W282-T371 PolarHBondContact O-OG1 2.89Å
372	Q	98.4	Very high	97.5	Very high	9 Å²	9	20.4 Å²	20.4	4%	0.042	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.8	174	-52.5	-166.6	35.5	0	0	112.2	Y236 Y258 K259 A281 W282	Y236-Q372 PolarHBondContact OH-NE2 3.02Å; Y258-Q372 VanDerWaalsContact CE2-OE1 3.31Å; Y258-Q372 CarbonylContact O-C 3.56Å; Y258-Q372 WeakPolarHBondContact O-CA 3.19Å; Y258-Q372 VanDerWaalsContact O-CB 3.24Å; Y258-Q372 WeakPolarHBondContact O-CB 2.96Å; K259-Q372 HydrophobicContact CB-CB 4.36Å; K259-Q372 HydrophobicContact CB-CG 3.52Å; A281-Q372 CarbonylContact C-O 3.36Å; A281-Q372 VanDerWaalsContact CA-O 3.24Å; A281-Q372 WeakPolarHBondContact CA-O 3.33Å; W282-Q372 HydrophobicContact CD2-CB 4.31Å; W282-Q372 HydrophobicContact CH2-CB 4.31Å; W282-Q372 HydrophobicContact CH2-CG 3.63Å; W282-Q372 HydrophobicContact CZ2-CB 3.63Å; W282-Q372 HydrophobicContact CZ2-CG 3.31Å; W282-Q372 VanDerWaalsContact CZ2-NE2 3.25Å; W282-Q372 HydrophobicContact CZ3-CG 4.37Å; W282-Q372 PolarHBondContact N-O 3.3Å; W282-Q372 PolarHBondContact O-N 2.87Å
373	N	98	Very high	97.3	Very high	11 Å²	11	20.3 Å²	20.3	6%	0.059	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.8	169.7	-66.7	31.8	0	0	0	108.5	Y258 W260 D275 T279 H280	Y258-N373 PolarHBondContact O-N 2.89Å; W260-N373 HydrophobicContact CH2-CB 4.32Å; W260-N373 HydrophobicContact CZ3-CB 4.15Å; W260-N373 WeakPolarHBondContact CZ3-OD1 3.4Å; D275-N373 VanDerWaalsContact CG-ND2 3.28Å; D275-N373 PolarHBondContact OD1-ND2 3.2Å; T279-N373 HydrophobicContact CG2-CB 4.45Å; T279-N373 PolarHBondContact OG1-ND2 2.96Å; T279-N373 VanDerWaalsContact OG1-ND2 3.11Å; H280-N373 CarbonylContact O-C 3.6Å; H280-N373 VanDerWaalsContact O-CA 3.23Å; H280-N373 WeakPolarHBondContact O-CA 3.32Å
374	Y	97.8	Very high	97.2	Very high	3 Å²	3	21 Å²	21	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.7	-178.9	75.5	-76.2	0	0	0	111.9	E150 F242 T279 H280 W282 F352 A376	E150-Y374 VanDerWaalsContact OE1-CE2 3.24Å; E150-Y374 WeakPolarHBondContact OE1-CE2 3.45Å; E150-Y374 PolarHBondContact OE1-OH 2.8Å; F242-Y374 HydrophobicContact CB-CE1 4.48Å; F242-Y374 AromaticContact CD1-CE1 3.67Å; F242-Y374 HydrophobicContact CD1-CE1 3.67Å; F242-Y374 HydrophobicContact CD1-CE2 4.25Å; F242-Y374 AromaticContact CD1-CZ 3.56Å; F242-Y374 WeakPolarHBondContact CD1-OH 3.26Å; F242-Y374 HydrophobicContact CE1-CE1 4.34Å; F242-Y374 HydrophobicContact CG-CE1 4.39Å; T279-Y374 WeakPolarHBondContact CB-O 3.26Å; H280-Y374 HydrophobicContact CB-CD1 3.83Å; H280-Y374 HydrophobicContact CB-CE1 3.31Å; H280-Y374 HydrophobicContact CB-CE2 4.28Å; H280-Y374 HydrophobicContact CB-CG 4.48Å; H280-Y374 PolarHBondContact N-O 2.75Å; H280-Y374 VanDerWaalsContact N-O 3.09Å; H280-Y374 PolarHBondContact O-N 3.09Å; W282-Y374 AromaticContact CD1-CD1 3.87Å; F352-Y374 HydrophobicContact CE2-CE1 4.28Å; F352-Y374 WeakPolarHBondContact CE2-OH 3.36Å; Y374-A376 HydrophobicContact CD2-CB 4.22Å; Y374-A376 HydrophobicContact CE2-CB 3.82Å
375	C	97.5	Very high	97.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.			trans	-109.4	125.2	169.3	-176.7	0	0	0	0	107.2	D245 L246 F247 N379 V383	D245-C375 CarbonylContact C-O 3.1Å; D245-C375 VanDerWaalsContact CA-O 3.24Å; D245-C375 WeakPolarHBondContact CA-O 3.4Å; D245-C375 PolarHBondContact N-O 3.29Å; L246-C375 HydrophobicContact CB-CB 4.11Å; L246-C375 PolarHBondContact N-O 3.29Å; F247-C375 HydrophobicContact CD2-CB 3.88Å; F247-C375 HydrophobicContact CE2-CB 4.24Å; C375-N379 WeakPolarHBondContact CA-OD1 3.21Å; C375-V383 HydrophobicContact CB-CG1 4.23Å; C375-V383 HydrophobicContact CB-CG2 4.41Å
376	A	96.9	Very high	97	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.025	10%	0.1	C	C	.	.			trans	-108.1	172.3	170.2	0	0	0	0	0	109.5	E150 D244 Y374 S378 N379 L380	E150-A376 WeakPolarHBondContact OE1-CB 3.43Å; D244-A376 WeakPolarHBondContact OD2-CA 3.47Å; Y374-A376 HydrophobicContact CD2-CB 4.22Å; Y374-A376 HydrophobicContact CE2-CB 3.82Å; A376-S378 PolarHBondContact O-N 3.28Å; A376-N379 PolarHBondContact N-OD1 2.87Å; A376-N379 PolarHBondContact O-N 2.93Å; A376-N379 PolarHBondContact O-OD1 3.41Å; A376-L380 WeakPolarHBondContact O-CB 3.4Å; A376-L380 PolarHBondContact O-N 2.97Å
377	K	96.1	Very high	96.8	Very high	123 Å²	123	16.5 Å²	16.5	54%	0.535	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-42.5	169.5	-173.9	179.6	-176.4	177.7	0	112.5	D244 N379 L380 M409 I412	D244-K377 PolarHBondContact OD2-N 3.21Å; K377-N379 PolarHBondContact O-N 3.2Å; K377-L380 WeakPolarHBondContact O-CB 3.15Å; K377-L380 PolarHBondContact O-N 3.08Å; K377-M409 HydrophobicContact CB-CE 3.96Å; K377-M409 HydrophobicContact CB-SD 4.08Å; K377-M409 HydrophobicContact CD-CE 3.63Å; K377-M409 HydrophobicContact CG-CE 3.64Å; K377-M409 HydrophobicContact CG-SD 3.96Å; K377-I412 HydrophobicContact CG-CD1 4.01Å
378	S	95.4	Very high	96.6	Very high	41 Å²	41	18.6 Å²	18.6	29%	0.287	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-38.9	-175.2	49.3	0	0	0	0	114.2	E150 A376	E150-S378 WeakPolarHBondContact CG-OG 3.26Å; E150-S378 PolarHBondContact OE2-OG 2.93Å; A376-S378 PolarHBondContact O-N 3.28Å
379	N	96.2	Very high	96.3	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.059	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	1.7	176.7	70	-7.5	0	0	0	114.6	G278 H280 C375 A376 K377 P381 V382 V383	G278-N379 PolarHBondContact O-ND2 2.85Å; H280-N379 PolarHBondContact CD2-ND2 2.86Å; H280-N379 PolarHBondContact N-ND2 3.35Å; H280-N379 VanDerWaalsContact N-ND2 3.11Å; H280-N379 VanDerWaalsContact NE2-CB 3.34Å; H280-N379 WeakPolarHBondContact NE2-CB 3.32Å; H280-N379 PolarHBondContact NE2-ND2 2.88Å; C375-N379 WeakPolarHBondContact CA-OD1 3.21Å; A376-N379 PolarHBondContact N-OD1 2.87Å; A376-N379 PolarHBondContact O-N 2.93Å; A376-N379 PolarHBondContact O-OD1 3.41Å; K377-N379 PolarHBondContact O-N 3.2Å; N379-P381 VanDerWaalsContact C-CD 3.47Å; N379-P381 VanDerWaalsContact C-N 3.34Å; N379-V382 PolarHBondContact O-N 2.92Å; N379-V382 VanDerWaalsContact O-N 3.13Å; N379-V383 HydrophobicContact CB-CG2 4.29Å; N379-V383 WeakPolarHBondContact O-CG2 3.45Å; N379-V383 PolarHBondContact O-N 3.08Å
380	L	96.5	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-51.8	-44.4	-178.9	178.5	62.2	0	0	0	113.1	L246 A376 K377 V382 V383 W384 W398 M409 I412	L246-L380 HydrophobicContact CD1-CB 4.1Å; L246-L380 HydrophobicContact CD1-CD1 3.95Å; L246-L380 HydrophobicContact CD1-CD2 3.92Å; L246-L380 HydrophobicContact CD1-CG 4.22Å; A376-L380 WeakPolarHBondContact O-CB 3.4Å; A376-L380 PolarHBondContact O-N 2.97Å; K377-L380 WeakPolarHBondContact O-CB 3.15Å; K377-L380 PolarHBondContact O-N 3.08Å; L380-V382 VanDerWaalsContact C-N 3.31Å; L380-V382 PolarHBondContact O-N 2.72Å; L380-V383 PolarHBondContact O-N 3.06Å; L380-W384 HydrophobicContact CD1-CB 4.45Å; L380-W384 WeakPolarHBondContact O-CB 3.37Å; L380-W384 PolarHBondContact O-N 2.84Å; L380-W398 HydrophobicContact CD1-CH2 3.71Å; L380-W398 HydrophobicContact CD1-CZ2 4.04Å; L380-M409 HydrophobicContact CD2-CB 3.76Å; L380-M409 HydrophobicContact CD2-CG 4.35Å; L380-M409 WeakPolarHBondContact CD2-O 3.48Å; L380-M409 HydrophobicContact CD2-SD 3.81Å; L380-I412 HydrophobicContact CD2-CB 4.13Å; L380-I412 HydrophobicContact CD2-CD1 4.46Å; L380-I412 HydrophobicContact CD2-CG2 4.06Å; L380-I412 HydrophobicContact CG-CG2 4.33Å
381	P	95.4	Very high	95.7	Very high	52 Å²	52	31.8 Å²	31.8	34%	0.338	17%	0.165	S	C	.	.	H	α-helix	trans	-56.2	-44.5	179	-28	36.2	0	0	0	113.4	N379 H385 I412 V416	N379-P381 VanDerWaalsContact C-CD 3.47Å; N379-P381 VanDerWaalsContact C-N 3.34Å; P381-H385 WeakPolarHBondContact O-CB 3.48Å; P381-H385 PolarHBondContact O-N 2.62Å; P381-I412 HydrophobicContact CG-CG2 3.8Å; P381-V416 HydrophobicContact CB-CG2 3.91Å
382	V	95.4	Very high	95.4	Very high	30 Å²	30	34.4 Å²	34.4	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-70.4	-44.5	179.9	176.8	0	0	0	0	110.8	N379 L380 H385 K386 M424	N379-V382 PolarHBondContact O-N 2.92Å; N379-V382 VanDerWaalsContact O-N 3.13Å; L380-V382 VanDerWaalsContact C-N 3.31Å; L380-V382 PolarHBondContact O-N 2.72Å; V382-H385 PolarHBondContact O-N 2.82Å; V382-K386 HydrophobicContact CG1-CD 3.93Å; V382-K386 WeakPolarHBondContact O-CB 3.09Å; V382-K386 WeakPolarHBondContact O-CG 3.43Å; V382-K386 PolarHBondContact O-N 3.13Å; V382-M424 HydrophobicContact CG1-CB 3.68Å; V382-M424 HydrophobicContact CG1-CG 4.04Å; V382-M424 HydrophobicContact CG2-CB 4.46Å; V382-M424 HydrophobicContact CG2-CG 3.98Å
383	V	96	Very high	95.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-42.9	-179.9	176.2	0	0	0	0	111.1	F247 L277 C375 N379 L380 T387 W398	F247-V383 HydrophobicContact CE2-CG1 3.51Å; F247-V383 HydrophobicContact CZ-CG1 3.55Å; L277-V383 VanDerWaalsContact O-CA 3.28Å; L277-V383 WeakPolarHBondContact O-CA 3.43Å; L277-V383 WeakPolarHBondContact O-CG2 3.39Å; C375-V383 HydrophobicContact CB-CG1 4.23Å; C375-V383 HydrophobicContact CB-CG2 4.41Å; N379-V383 HydrophobicContact CB-CG2 4.29Å; N379-V383 WeakPolarHBondContact O-CG2 3.45Å; N379-V383 PolarHBondContact O-N 3.08Å; L380-V383 PolarHBondContact O-N 3.06Å; V383-T387 WeakPolarHBondContact O-CB 3.41Å; V383-T387 PolarHBondContact O-N 3.07Å; V383-T387 PolarHBondContact O-OG1 2.83Å; V383-W398 HydrophobicContact CG1-CH2 3.79Å; V383-W398 HydrophobicContact CG1-CZ3 4.01Å
384	W	96.2	Very high	95	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-53.2	175.7	176.9	-113.5	0	0	0	111.2	L380 K386 T387 L388 A395 W398 Y399 C413	L380-W384 HydrophobicContact CD1-CB 4.45Å; L380-W384 WeakPolarHBondContact O-CB 3.37Å; L380-W384 PolarHBondContact O-N 2.84Å; W384-K386 VanDerWaalsContact C-N 3.31Å; W384-K386 PolarHBondContact O-N 3.31Å; W384-T387 PolarHBondContact O-N 3.04Å; W384-T387 VanDerWaalsContact O-N 3.13Å; W384-L388 HydrophobicContact CH2-CD1 4.4Å; W384-L388 HydrophobicContact CZ2-CD1 4.28Å; W384-L388 HydrophobicContact CZ2-CD2 4.1Å; W384-L388 WeakPolarHBondContact O-CB 3.44Å; W384-L388 PolarHBondContact O-N 3.23Å; W384-A395 HydrophobicContact CH2-CB 3.82Å; W384-A395 HydrophobicContact CZ3-CB 3.72Å; W384-A395 WeakPolarHBondContact CZ3-O 3.44Å; W384-W398 HydrophobicContact CE3-CE3 4Å; W384-W398 HydrophobicContact CE3-CZ3 4.14Å; W384-W398 HydrophobicContact CZ3-CE3 4.24Å; W384-Y399 VanDerWaalsContact CH2-CB 3.48Å; W384-Y399 HydrophobicContact CH2-CD2 4.02Å; W384-Y399 HydrophobicContact CH2-CG 4.01Å; W384-Y399 HydrophobicContact CZ2-CD2 4.12Å; W384-Y399 HydrophobicContact CZ2-CG 4.45Å; W384-C413 HydrophobicContact CD2-CB 3.83Å; W384-C413 HydrophobicContact CE3-CB 4.47Å; W384-C413 HydrophobicContact CG-CB 3.9Å; W384-C413 HydrophobicContact CZ2-CB 4.36Å; W384-C413 PolarHBondContact NE1-O 3.22Å; W384-C413 VanDerWaalsContact NE1-O 3.11Å
385	H	96	Very high	94.9	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.046	22%	0.217	C	C	.	.	H	α-helix	trans	-50.7	-50.7	176.9	173.1	-78	0	0	0	111.6	P381 V382 R389 V416 I420 S422	P381-H385 WeakPolarHBondContact O-CB 3.48Å; P381-H385 PolarHBondContact O-N 2.62Å; V382-H385 PolarHBondContact O-N 2.82Å; H385-R389 WeakPolarHBondContact CE1-CD 3.44Å; H385-R389 PolarHBondContact NE2-NH1 2.97Å; H385-R389 WeakPolarHBondContact O-CG 3.27Å; H385-R389 PolarHBondContact O-N 2.99Å; H385-R389 VanDerWaalsContact O-N 3.17Å; H385-V416 HydrophobicContact CB-CG1 3.87Å; H385-I420 PolarHBondContact CD2-O 3.07Å; H385-I420 PolarHBondContact NE2-O 3.25Å; H385-S422 WeakPolarHBondContact ND1-CB 3.37Å
386	K	93.9	Very high	94.7	Very high	28 Å²	28	45.9 Å²	45.9	12%	0.122	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-38.2	-179	-71.4	173.8	177.4	-62.8	0	112.7	V382 W384 G390 M424 S426	V382-K386 HydrophobicContact CG1-CD 3.93Å; V382-K386 WeakPolarHBondContact O-CB 3.09Å; V382-K386 WeakPolarHBondContact O-CG 3.43Å; V382-K386 PolarHBondContact O-N 3.13Å; W384-K386 VanDerWaalsContact C-N 3.31Å; W384-K386 PolarHBondContact O-N 3.31Å; K386-G390 PolarHBondContact O-N 2.93Å; K386-M424 VanDerWaalsContact CE-O 3.25Å; K386-M424 WeakPolarHBondContact CE-O 3.45Å; K386-M424 PolarHBondContact NZ-O 3.39Å; K386-S426 WeakPolarHBondContact CD-OG 3.31Å; K386-S426 WeakPolarHBondContact CE-OG 3.39Å; K386-S426 PolarHBondContact NZ-OG 3.28Å
387	T	94.6	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-40.1	179.4	-58.7	0	0	0	0	111.4	F247 V383 W384 R391 L394 A395 W398	F247-T387 HydrophobicContact CE1-CG2 4.5Å; V383-T387 WeakPolarHBondContact O-CB 3.41Å; V383-T387 PolarHBondContact O-N 3.07Å; V383-T387 PolarHBondContact O-OG1 2.83Å; W384-T387 PolarHBondContact O-N 3.04Å; W384-T387 VanDerWaalsContact O-N 3.13Å; T387-R391 CarbonylContact O-C 3.49Å; T387-R391 VanDerWaalsContact O-CA 3.26Å; T387-R391 WeakPolarHBondContact O-CA 3.23Å; T387-R391 PolarHBondContact O-N 2.93Å; T387-L394 HydrophobicContact CG2-CD2 3.98Å; T387-L394 HydrophobicContact CG2-CG 4.12Å; T387-A395 HydrophobicContact CG2-CB 4.12Å; T387-W398 HydrophobicContact CG2-CE3 4.31Å; T387-W398 HydrophobicContact CG2-CZ3 4.49Å
388	L	94.2	Very high	94.5	Very high	44 Å²	44	42.2 Å²	42.2	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-45.5	177.2	-170.9	58.9	0	0	0	111	W384 P392 A395 V418	W384-L388 HydrophobicContact CH2-CD1 4.4Å; W384-L388 HydrophobicContact CZ2-CD1 4.28Å; W384-L388 HydrophobicContact CZ2-CD2 4.1Å; W384-L388 WeakPolarHBondContact O-CB 3.44Å; W384-L388 PolarHBondContact O-N 3.23Å; L388-P392 WeakPolarHBondContact O-CA 3.41Å; L388-A395 HydrophobicContact CB-CB 4.15Å; L388-A395 HydrophobicContact CD1-CB 3.63Å; L388-V418 HydrophobicContact CB-CG1 4.46Å; L388-V418 HydrophobicContact CD2-CB 4.45Å; L388-V418 HydrophobicContact CD2-CG1 3.72Å; L388-V418 HydrophobicContact CD2-CG2 4.17Å
389	R	92.4	Very high	94.6	Very high	150 Å²	150	41.9 Å²	41.9	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-68.3	-46.4	177.5	-69.3	178.1	74.2	143	1.4	113.2	H385 V418	H385-R389 WeakPolarHBondContact CE1-CD 3.44Å; H385-R389 PolarHBondContact NE2-NH1 2.97Å; H385-R389 WeakPolarHBondContact O-CG 3.27Å; H385-R389 PolarHBondContact O-N 2.99Å; H385-R389 VanDerWaalsContact O-N 3.17Å; R389-V418 PolarHBondContact NH1-O 3.06Å
390	G	90.9	Very high	94.5	Very high	56 Å²	56	48.9 Å²	48.9	58%	0.577	24%	0.24	S	C	*	.	H	α-helix	trans	-84.2	-29.2	-174	0	0	0	0	0	114.5	K386	K386-G390 PolarHBondContact O-N 2.93Å
391	R	93.1	Very high	94.5	Very high	70 Å²	70	49.7 Å²	49.7	26%	0.264	25%	0.247	S	C	.	.			trans	-145.9	62.3	-171	-54.9	-171.6	74.1	170.6	3.7	111.4	T387 K393 L394 A395	T387-R391 CarbonylContact O-C 3.49Å; T387-R391 VanDerWaalsContact O-CA 3.26Å; T387-R391 WeakPolarHBondContact O-CA 3.23Å; T387-R391 PolarHBondContact O-N 2.93Å; R391-K393 VanDerWaalsContact C-N 3.29Å; R391-K393 PolarHBondContact O-N 2.78Å; R391-K393 VanDerWaalsContact O-N 3.13Å; R391-L394 HydrophobicContact CB-CB 3.91Å; R391-L394 HydrophobicContact CB-CD2 4.35Å; R391-L394 WeakPolarHBondContact O-CA 3.11Å; R391-L394 WeakPolarHBondContact O-CB 3.26Å; R391-L394 PolarHBondContact O-N 3.42Å; R391-A395 PolarHBondContact O-N 3.4Å
392	P	93.3	Very high	94.5	Very high	69 Å²	69	47.2 Å²	47.2	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-57.4	-37.1	-171.8	20.9	-33.8	0	0	0	113.7	L388 L394 A395 N396	L388-P392 WeakPolarHBondContact O-CA 3.41Å; P392-L394 VanDerWaalsContact C-N 3.35Å; P392-L394 PolarHBondContact O-N 3.39Å; P392-A395 PolarHBondContact O-N 3.28Å; P392-N396 VanDerWaalsContact O-CG 3.29Å; P392-N396 PolarHBondContact O-N 3.01Å; P392-N396 PolarHBondContact O-OD1 2.97Å
393	K	93.5	Very high	94.6	Very high	176 Å²	176	51 Å²	51	77%	0.765	25%	0.245	S	C	*	.	H	α-helix	trans	-61.1	-42	173.9	-68.1	-172.9	179.2	-174.6	0	111.9	R391 N397	R391-K393 VanDerWaalsContact C-N 3.29Å; R391-K393 PolarHBondContact O-N 2.78Å; R391-K393 VanDerWaalsContact O-N 3.13Å; K393-N397 PolarHBondContact O-N 3.47Å; K393-N397 PolarHBondContact O-ND2 3.46Å
394	L	94.1	Very high	94.6	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-47.6	176.5	173.8	63	0	0	0	110.1	F247 A250 R254 P256 T387 R391 P392 N396 N397 W398	F247-L394 HydrophobicContact CE1-CD2 4.4Å; A250-L394 HydrophobicContact CB-CD1 4.02Å; R254-L394 HydrophobicContact CB-CD1 4.08Å; P256-L394 HydrophobicContact CG-CD2 4.06Å; T387-L394 HydrophobicContact CG2-CD2 3.98Å; T387-L394 HydrophobicContact CG2-CG 4.12Å; R391-L394 HydrophobicContact CB-CB 3.91Å; R391-L394 HydrophobicContact CB-CD2 4.35Å; R391-L394 WeakPolarHBondContact O-CA 3.11Å; R391-L394 WeakPolarHBondContact O-CB 3.26Å; R391-L394 PolarHBondContact O-N 3.42Å; P392-L394 VanDerWaalsContact C-N 3.35Å; P392-L394 PolarHBondContact O-N 3.39Å; L394-N396 PolarHBondContact O-N 3.08Å; L394-N397 PolarHBondContact O-N 3.05Å; L394-W398 WeakPolarHBondContact O-CB 3.48Å; L394-W398 PolarHBondContact O-N 2.97Å
395	A	94.7	Very high	94.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54.7	-52.1	179.7	0	0	0	0	0	112	W384 T387 L388 R391 P392 N397 W398 Y399	W384-A395 HydrophobicContact CH2-CB 3.82Å; W384-A395 HydrophobicContact CZ3-CB 3.72Å; W384-A395 WeakPolarHBondContact CZ3-O 3.44Å; T387-A395 HydrophobicContact CG2-CB 4.12Å; L388-A395 HydrophobicContact CB-CB 4.15Å; L388-A395 HydrophobicContact CD1-CB 3.63Å; R391-A395 PolarHBondContact O-N 3.4Å; P392-A395 PolarHBondContact O-N 3.28Å; A395-N397 VanDerWaalsContact C-N 3.3Å; A395-N397 PolarHBondContact O-N 2.85Å; A395-W398 PolarHBondContact O-N 3.19Å; A395-W398 VanDerWaalsContact O-N 3.07Å; A395-Y399 WeakPolarHBondContact O-CB 3.47Å; A395-Y399 PolarHBondContact O-N 3.23Å
396	N	94	Very high	94.5	Very high	76 Å²	76	66.2 Å²	66.2	41%	0.406	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-38.1	-178.3	-67.5	-5	0	0	0	113	P392 L394 R400	P392-N396 VanDerWaalsContact O-CG 3.29Å; P392-N396 PolarHBondContact O-N 3.01Å; P392-N396 PolarHBondContact O-OD1 2.97Å; L394-N396 PolarHBondContact O-N 3.08Å; N396-R400 WeakPolarHBondContact O-CG 3.33Å; N396-R400 PolarHBondContact O-N 2.89Å
397	N	93.4	Very high	94.7	Very high	50 Å²	50	68.2 Å²	68.2	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-74.5	-36.5	177	-65.8	-69.1	0	0	0	112.3	R254 K393 L394 A395 R400 A401	R254-N397 PolarHBondContact NH1-ND2 2.69Å; R254-N397 PolarHBondContact NH1-OD1 2.81Å; K393-N397 PolarHBondContact O-N 3.47Å; K393-N397 PolarHBondContact O-ND2 3.46Å; L394-N397 PolarHBondContact O-N 3.05Å; A395-N397 VanDerWaalsContact C-N 3.3Å; A395-N397 PolarHBondContact O-N 2.85Å; N397-R400 PolarHBondContact OD1-NH1 2.98Å; N397-A401 PolarHBondContact O-N 3.5Å
398	W	96.1	Very high	94.7	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-44.8	177.1	-175.5	25.3	0	0	0	110.8	L246 F247 A250 L380 V383 W384 T387 L394 A395 R400 A401 L402	L246-W398 HydrophobicContact CB-CZ2 3.83Å; L246-W398 PolarHBondContact O-NE1 3.33Å; F247-W398 HydrophobicContact CD1-CD2 4.32Å; F247-W398 HydrophobicContact CD1-CE3 4.4Å; F247-W398 HydrophobicContact CD1-CH2 4.34Å; F247-W398 HydrophobicContact CD1-CZ2 4.24Å; F247-W398 HydrophobicContact CD1-CZ3 4.42Å; F247-W398 HydrophobicContact CE1-CD2 4.29Å; F247-W398 AromaticContact CE1-CE3 3.92Å; F247-W398 HydrophobicContact CE1-CE3 3.92Å; F247-W398 HydrophobicContact CE1-CH2 4.06Å; F247-W398 HydrophobicContact CE1-CZ2 4.4Å; F247-W398 AromaticContact CE1-CZ3 3.81Å; F247-W398 HydrophobicContact CE1-CZ3 3.81Å; F247-W398 HydrophobicContact CZ-CH2 4.2Å; F247-W398 HydrophobicContact CZ-CZ3 4.07Å; A250-W398 HydrophobicContact CB-CB 4.03Å; A250-W398 HydrophobicContact CB-CG 3.88Å; L380-W398 HydrophobicContact CD1-CH2 3.71Å; L380-W398 HydrophobicContact CD1-CZ2 4.04Å; V383-W398 HydrophobicContact CG1-CH2 3.79Å; V383-W398 HydrophobicContact CG1-CZ3 4.01Å; W384-W398 HydrophobicContact CE3-CE3 4Å; W384-W398 HydrophobicContact CE3-CZ3 4.14Å; W384-W398 HydrophobicContact CZ3-CE3 4.24Å; T387-W398 HydrophobicContact CG2-CE3 4.31Å; T387-W398 HydrophobicContact CG2-CZ3 4.49Å; L394-W398 WeakPolarHBondContact O-CB 3.48Å; L394-W398 PolarHBondContact O-N 2.97Å; A395-W398 PolarHBondContact O-N 3.19Å; A395-W398 VanDerWaalsContact O-N 3.07Å; W398-R400 PolarHBondContact O-N 3.41Å; W398-A401 CarbonylContact O-C 2.94Å; W398-A401 WeakPolarHBondContact O-CA 3.38Å; W398-A401 WeakPolarHBondContact O-CB 3.46Å; W398-A401 PolarHBondContact O-N 3.27Å; W398-L402 HydrophobicContact CD2-CD1 4.3Å; W398-L402 HydrophobicContact CG-CD1 4.46Å; W398-L402 HydrophobicContact CZ2-CD1 4.35Å; W398-L402 WeakPolarHBondContact O-CG 3.17Å; W398-L402 PolarHBondContact O-N 2.98Å
399	Y	96.1	Very high	94.9	Very high	34 Å²	34	69.9 Å²	69.9	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-44.6	176.8	178	-99.8	0	0	0	113.5	W384 A395 A401 L402 K403 A410 C413 D414	W384-Y399 VanDerWaalsContact CH2-CB 3.48Å; W384-Y399 HydrophobicContact CH2-CD2 4.02Å; W384-Y399 HydrophobicContact CH2-CG 4.01Å; W384-Y399 HydrophobicContact CZ2-CD2 4.12Å; W384-Y399 HydrophobicContact CZ2-CG 4.45Å; A395-Y399 WeakPolarHBondContact O-CB 3.47Å; A395-Y399 PolarHBondContact O-N 3.23Å; Y399-A401 PolarHBondContact O-N 2.7Å; Y399-L402 PolarHBondContact O-N 3.5Å; Y399-L402 VanDerWaalsContact O-N 3.11Å; Y399-K403 HydrophobicContact CD1-CD 4.25Å; Y399-K403 HydrophobicContact CE1-CD 3.54Å; Y399-K403 HydrophobicContact CE1-CG 4.12Å; Y399-K403 HydrophobicContact CE2-CG 4.5Å; Y399-K403 PolarHBondContact O-N 3.08Å; Y399-K403 WeakPolarHBondContact OH-CE 3.48Å; Y399-K403 PolarHBondContact OH-NZ 3.49Å; Y399-A410 HydrophobicContact CD2-CB 4.46Å; Y399-A410 HydrophobicContact CE2-CB 4.16Å; Y399-C413 HydrophobicContact CD2-CB 4.05Å; Y399-C413 HydrophobicContact CE2-CB 4.14Å; Y399-D414 WeakPolarHBondContact CE2-OD1 3.46Å; Y399-D414 PolarHBondContact OH-OD1 3.39Å; Y399-D414 PolarHBondContact OH-OD2 3.19Å
400	R	95.4	Very high	95.1	Very high	158 Å²	158	62.8 Å²	62.8	60%	0.596	30%	0.303	S	S	*	.	H	α-helix	trans	-58	-38.3	172.6	-70.7	-179.4	-162.1	125.4	-2.7	112.2	N396 N397 W398 K404	N396-R400 WeakPolarHBondContact O-CG 3.33Å; N396-R400 PolarHBondContact O-N 2.89Å; N397-R400 PolarHBondContact OD1-NH1 2.98Å; W398-R400 PolarHBondContact O-N 3.41Å; R400-K404 PolarHBondContact O-N 3.24Å
401	A	95.2	Very high	95.4	Very high	17 Å²	17	64.3 Å²	64.3	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-70.3	-39.4	175.5	0	0	0	0	0	111.9	Y249 N397 W398 Y399 K404 Y405	Y249-A401 VanDerWaalsContact O-CB 3.25Å; Y249-A401 WeakPolarHBondContact O-CB 3.33Å; N397-A401 PolarHBondContact O-N 3.5Å; W398-A401 CarbonylContact O-C 2.94Å; W398-A401 WeakPolarHBondContact O-CA 3.38Å; W398-A401 WeakPolarHBondContact O-CB 3.46Å; W398-A401 PolarHBondContact O-N 3.27Å; Y399-A401 PolarHBondContact O-N 2.7Å; A401-K404 PolarHBondContact O-N 2.75Å; A401-Y405 HydrophobicContact CB-CD2 4.39Å; A401-Y405 WeakPolarHBondContact O-CB 3.19Å; A401-Y405 WeakPolarHBondContact O-CD2 3.14Å; A401-Y405 PolarHBondContact O-N 3.47Å
402	L	96.4	Very high	95.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-49.5	174.4	-68.2	176.7	0	0	0	110.9	Y249 W398 Y399 K404 Y405 R406 M409 A410	Y249-L402 HydrophobicContact CD2-CD2 3.91Å; Y249-L402 HydrophobicContact CG-CD2 4.27Å; W398-L402 HydrophobicContact CD2-CD1 4.3Å; W398-L402 HydrophobicContact CG-CD1 4.46Å; W398-L402 HydrophobicContact CZ2-CD1 4.35Å; W398-L402 WeakPolarHBondContact O-CG 3.17Å; W398-L402 PolarHBondContact O-N 2.98Å; Y399-L402 PolarHBondContact O-N 3.5Å; Y399-L402 VanDerWaalsContact O-N 3.11Å; L402-K404 PolarHBondContact O-N 3.05Å; L402-K404 VanDerWaalsContact O-N 3.11Å; L402-Y405 PolarHBondContact O-N 3.12Å; L402-R406 HydrophobicContact CD2-CB 4.33Å; L402-R406 CarbonylContact O-C 3.56Å; L402-R406 WeakPolarHBondContact O-CA 3.49Å; L402-R406 PolarHBondContact O-N 3.17Å; L402-M409 HydrophobicContact CD1-CB 4.47Å; L402-M409 HydrophobicContact CD2-CB 4.14Å; L402-A410 HydrophobicContact CB-CB 4.18Å
403	K	96.2	Very high	95.7	Very high	109 Å²	109	59.4 Å²	59.4	47%	0.474	27%	0.273	S	S	.	.	H	α-helix	trans	-52.2	-37.6	174.9	-81.8	-167.1	152.9	169.9	0	113.1	Y399 A410	Y399-K403 HydrophobicContact CD1-CD 4.25Å; Y399-K403 HydrophobicContact CE1-CD 3.54Å; Y399-K403 HydrophobicContact CE1-CG 4.12Å; Y399-K403 HydrophobicContact CE2-CG 4.5Å; Y399-K403 PolarHBondContact O-N 3.08Å; Y399-K403 WeakPolarHBondContact OH-CE 3.48Å; Y399-K403 PolarHBondContact OH-NZ 3.49Å; K403-A410 HydrophobicContact CB-CB 4.33Å; K403-A410 HydrophobicContact CG-CB 3.5Å; K403-A410 VanDerWaalsContact CG-CB 3.5Å
404	K	96.1	Very high	95.7	Very high	153 Å²	153	55.2 Å²	55.2	67%	0.665	26%	0.259	S	S	*	.	H	α-helix	trans	-77	-42	179.6	-177.2	173.3	179.9	177.8	0	113.9	R400 A401 L402	R400-K404 PolarHBondContact O-N 3.24Å; A401-K404 PolarHBondContact O-N 2.75Å; L402-K404 PolarHBondContact O-N 3.05Å; L402-K404 VanDerWaalsContact O-N 3.11Å
405	Y	95.5	Very high	95.7	Very high	137 Å²	137	62.1 Å²	62.1	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-111.7	-20.4	-166.3	-64.9	-68.3	0	0	0	114.7	Y249 A401 L402	Y249-Y405 HydrophobicContact CD1-CD2 4.26Å; Y249-Y405 HydrophobicContact CD1-CG 4.27Å; Y249-Y405 HydrophobicContact CE1-CG 4.4Å; A401-Y405 HydrophobicContact CB-CD2 4.39Å; A401-Y405 WeakPolarHBondContact O-CB 3.19Å; A401-Y405 WeakPolarHBondContact O-CD2 3.14Å; A401-Y405 PolarHBondContact O-N 3.47Å; L402-Y405 PolarHBondContact O-N 3.12Å
406	R	95.8	Very high	95.6	Very high	52 Å²	52	63.5 Å²	63.5	20%	0.196	30%	0.3	C	S	.	.			trans	-151	64.1	-176.2	-63.4	-63.5	-64.7	-76.1	-6	109.3	D244 Y249 L402 E408 M409 A410	D244-R406 IonicContact OD1-CZ 3.59Å; D244-R406 IonicContact OD1-NH1 2.72Å; D244-R406 PolarHBondContact OD1-NH1 3.2Å; D244-R406 IonicContact OD1-NH2 3.86Å; Y249-R406 HydrophobicContact CD2-CG 4.31Å; Y249-R406 HydrophobicContact CE1-CG 4.01Å; Y249-R406 HydrophobicContact CE2-CG 3.57Å; Y249-R406 WeakPolarHBondContact OH-CD 3.48Å; Y249-R406 WeakPolarHBondContact OH-CG 3.48Å; L402-R406 HydrophobicContact CD2-CB 4.33Å; L402-R406 CarbonylContact O-C 3.56Å; L402-R406 WeakPolarHBondContact O-CA 3.49Å; L402-R406 PolarHBondContact O-N 3.17Å; R406-E408 VanDerWaalsContact CA-OE2 3.22Å; R406-E408 WeakPolarHBondContact CA-OE2 3.2Å; R406-E408 IonicContact CZ-OE1 3.83Å; R406-E408 IonicContact NE-OE1 3.58Å; R406-E408 PolarHBondContact NE-OE1 3.3Å; R406-E408 IonicContact NE-OE2 3.91Å; R406-E408 IonicContact NH2-OE1 2.69Å; R406-E408 PolarHBondContact NH2-OE1 3.48Å; R406-E408 PolarHBondContact O-N 2.89Å; R406-M409 HydrophobicContact CB-CB 4.13Å; R406-M409 HydrophobicContact CB-CG 3.87Å; R406-M409 VanDerWaalsContact NH2-CE 3.33Å; R406-M409 WeakPolarHBondContact O-CB 3.25Å; R406-M409 PolarHBondContact O-N 3.28Å; R406-A410 PolarHBondContact O-N 3.09Å
407	P	96.7	Very high	95.3	Very high	71 Å²	71	64 Å²	64	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-55.7	-34.1	-173.8	22.6	-33.5	0	0	0	112.7	M409 A410 D411	P407-M409 PolarHBondContact O-N 2.94Å; P407-M409 VanDerWaalsContact O-N 3.15Å; P407-A410 WeakPolarHBondContact O-CA 3.26Å; P407-A410 WeakPolarHBondContact O-CB 3.41Å; P407-A410 PolarHBondContact O-N 3Å; P407-D411 PolarHBondContact O-N 3.37Å
408	E	96.7	Very high	94.9	Very high	76 Å²	76	63.4 Å²	63.4	36%	0.355	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-24.6	177.7	80.6	-71.7	-179.5	0	0	113.3	R406 I412	R406-E408 VanDerWaalsContact CA-OE2 3.22Å; R406-E408 WeakPolarHBondContact CA-OE2 3.2Å; R406-E408 IonicContact CZ-OE1 3.83Å; R406-E408 IonicContact NE-OE1 3.58Å; R406-E408 PolarHBondContact NE-OE1 3.3Å; R406-E408 IonicContact NE-OE2 3.91Å; R406-E408 IonicContact NH2-OE1 2.69Å; R406-E408 PolarHBondContact NH2-OE1 3.48Å; R406-E408 PolarHBondContact O-N 2.89Å; E408-I412 WeakPolarHBondContact O-CG1 3.33Å
409	M	97.1	Very high	94.3	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-82.2	-30.6	173.1	-60.5	-66.5	136.4	0	0	111.5	L246 K377 L380 L402 R406 P407 I412 C413	L246-M409 HydrophobicContact CD1-CG 4.35Å; L246-M409 HydrophobicContact CD1-SD 3.84Å; L246-M409 HydrophobicContact CD2-CG 4.03Å; L246-M409 HydrophobicContact CD2-SD 4.23Å; K377-M409 HydrophobicContact CB-CE 3.96Å; K377-M409 HydrophobicContact CB-SD 4.08Å; K377-M409 HydrophobicContact CD-CE 3.63Å; K377-M409 HydrophobicContact CG-CE 3.64Å; K377-M409 HydrophobicContact CG-SD 3.96Å; L380-M409 HydrophobicContact CD2-CB 3.76Å; L380-M409 HydrophobicContact CD2-CG 4.35Å; L380-M409 WeakPolarHBondContact CD2-O 3.48Å; L380-M409 HydrophobicContact CD2-SD 3.81Å; L402-M409 HydrophobicContact CD1-CB 4.47Å; L402-M409 HydrophobicContact CD2-CB 4.14Å; R406-M409 HydrophobicContact CB-CB 4.13Å; R406-M409 HydrophobicContact CB-CG 3.87Å; R406-M409 VanDerWaalsContact NH2-CE 3.33Å; R406-M409 WeakPolarHBondContact O-CB 3.25Å; R406-M409 PolarHBondContact O-N 3.28Å; P407-M409 PolarHBondContact O-N 2.94Å; P407-M409 VanDerWaalsContact O-N 3.15Å; M409-I412 HydrophobicContact SD-CD1 4.26Å; M409-C413 PolarHBondContact O-N 3.41Å; M409-C413 PolarHBondContact O-SG 3.26Å
410	A	96.7	Very high	93.7	Very high	1 Å²	1	71 Å²	71	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-68.6	-38.6	174.2	0	0	0	0	0	111.1	Y399 L402 K403 R406 P407 I412 C413 D414	Y399-A410 HydrophobicContact CD2-CB 4.46Å; Y399-A410 HydrophobicContact CE2-CB 4.16Å; L402-A410 HydrophobicContact CB-CB 4.18Å; K403-A410 HydrophobicContact CB-CB 4.33Å; K403-A410 HydrophobicContact CG-CB 3.5Å; K403-A410 VanDerWaalsContact CG-CB 3.5Å; R406-A410 PolarHBondContact O-N 3.09Å; P407-A410 WeakPolarHBondContact O-CA 3.26Å; P407-A410 WeakPolarHBondContact O-CB 3.41Å; P407-A410 PolarHBondContact O-N 3Å; A410-I412 VanDerWaalsContact C-N 3.3Å; A410-I412 PolarHBondContact O-N 3.27Å; A410-C413 CarbonylContact O-C 3.56Å; A410-C413 WeakPolarHBondContact O-CA 3.49Å; A410-C413 VanDerWaalsContact O-CB 3.26Å; A410-C413 WeakPolarHBondContact O-CB 3.29Å; A410-C413 PolarHBondContact O-N 3.02Å; A410-D414 PolarHBondContact O-N 3.38Å
411	D	96.7	Very high	93.1	Very high	88 Å²	88	68.3 Å²	68.3	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-41.8	175.3	-60.1	-24.7	0	0	0	111.5	P407 C413 D414 Q415	P407-D411 PolarHBondContact O-N 3.37Å; D411-C413 VanDerWaalsContact C-N 3.29Å; D411-C413 PolarHBondContact O-N 3.14Å; D411-D414 PolarHBondContact O-N 2.86Å; D411-Q415 WeakPolarHBondContact O-CG 3.31Å; D411-Q415 PolarHBondContact O-N 3.1Å
412	I	96.1	Very high	92.4	Very high	32 Å²	32	69.1 Å²	69.1	16%	0.164	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-41.4	172.6	-65.9	169.2	0	0	0	110.6	K377 L380 P381 E408 M409 A410 D414 Q415 V416	K377-I412 HydrophobicContact CG-CD1 4.01Å; L380-I412 HydrophobicContact CD2-CB 4.13Å; L380-I412 HydrophobicContact CD2-CD1 4.46Å; L380-I412 HydrophobicContact CD2-CG2 4.06Å; L380-I412 HydrophobicContact CG-CG2 4.33Å; P381-I412 HydrophobicContact CG-CG2 3.8Å; E408-I412 WeakPolarHBondContact O-CG1 3.33Å; M409-I412 HydrophobicContact SD-CD1 4.26Å; A410-I412 VanDerWaalsContact C-N 3.3Å; A410-I412 PolarHBondContact O-N 3.27Å; I412-D414 VanDerWaalsContact C-N 3.31Å; I412-D414 PolarHBondContact O-N 2.78Å; I412-Q415 PolarHBondContact O-N 2.73Å; I412-V416 WeakPolarHBondContact O-CG2 3.5Å
413	C	96.2	Very high	91.5	Very high	3 Å²	3	72.7 Å²	72.7	2%	0.02	39%	0.394	C	S	.	.	H	α-helix	trans	-64.8	-34.7	178.9	-65	0	0	0	0	112.4	W384 Y399 M409 A410 D411 Q415 V416	W384-C413 HydrophobicContact CD2-CB 3.83Å; W384-C413 HydrophobicContact CE3-CB 4.47Å; W384-C413 HydrophobicContact CG-CB 3.9Å; W384-C413 HydrophobicContact CZ2-CB 4.36Å; W384-C413 PolarHBondContact NE1-O 3.22Å; W384-C413 VanDerWaalsContact NE1-O 3.11Å; Y399-C413 HydrophobicContact CD2-CB 4.05Å; Y399-C413 HydrophobicContact CE2-CB 4.14Å; M409-C413 PolarHBondContact O-N 3.41Å; M409-C413 PolarHBondContact O-SG 3.26Å; A410-C413 CarbonylContact O-C 3.56Å; A410-C413 WeakPolarHBondContact O-CA 3.49Å; A410-C413 VanDerWaalsContact O-CB 3.26Å; A410-C413 WeakPolarHBondContact O-CB 3.29Å; A410-C413 PolarHBondContact O-N 3.02Å; D411-C413 VanDerWaalsContact C-N 3.29Å; D411-C413 PolarHBondContact O-N 3.14Å; C413-Q415 VanDerWaalsContact C-N 3.3Å; C413-V416 PolarHBondContact O-N 3.47Å
414	D	95.4	Very high	90.7	Very high	89 Å²	89	68.8 Å²	68.8	48%	0.476	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-29.4	178.3	-70.7	-22.4	0	0	0	112.3	Y399 A410 D411 I412 V416	Y399-D414 WeakPolarHBondContact CE2-OD1 3.46Å; Y399-D414 PolarHBondContact OH-OD1 3.39Å; Y399-D414 PolarHBondContact OH-OD2 3.19Å; A410-D414 PolarHBondContact O-N 3.38Å; D411-D414 PolarHBondContact O-N 2.86Å; I412-D414 VanDerWaalsContact C-N 3.31Å; I412-D414 PolarHBondContact O-N 2.78Å; D414-V416 VanDerWaalsContact C-N 3.28Å; D414-V416 PolarHBondContact O-N 3.45Å
415	Q	93.8	Very high	89.9	Confident	156 Å²	156	63.4 Å²	63.4	73%	0.729	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.6	175.6	-65.7	169.4	23.3	0	0	113.4	D411 I412 C413 N417	D411-Q415 WeakPolarHBondContact O-CG 3.31Å; D411-Q415 PolarHBondContact O-N 3.1Å; I412-Q415 PolarHBondContact O-N 2.73Å; C413-Q415 VanDerWaalsContact C-N 3.3Å; Q415-N417 PolarHBondContact O-N 3.07Å
416	V	92.3	Very high	88.7	Confident	29 Å²	29	58.9 Å²	58.9	18%	0.176	35%	0.346	C	S	.	.			trans	-78.9	110.9	-178	179.1	0	0	0	0	110.9	P381 H385 I412 C413 D414 V418	P381-V416 HydrophobicContact CB-CG2 3.91Å; H385-V416 HydrophobicContact CB-CG1 3.87Å; I412-V416 WeakPolarHBondContact O-CG2 3.5Å; C413-V416 PolarHBondContact O-N 3.47Å; D414-V416 VanDerWaalsContact C-N 3.28Å; D414-V416 PolarHBondContact O-N 3.45Å; V416-V418 HydrophobicContact CG1-CG1 4.14Å; V416-V418 PolarHBondContact O-N 2.94Å
417	N	88.3	Confident	87.6	Confident	87 Å²	87	58.4 Å²	58.4	47%	0.465	35%	0.351	S	S	.	.			trans	-76.7	107.1	169.1	-171.5	-8.6	0	0	0	111.4	Q415 S419 I420	Q415-N417 PolarHBondContact O-N 3.07Å; N417-S419 VanDerWaalsContact C-N 3.32Å; N417-S419 PolarHBondContact ND2-OG 3.07Å; N417-S419 PolarHBondContact O-N 3.43Å; N417-S419 WeakPolarHBondContact OD1-CB 3.42Å; N417-S419 PolarHBondContact OD1-N 3.05Å; N417-S419 PolarHBondContact OD1-OG 3.06Å; N417-I420 HydrophobicContact CB-CD1 4.22Å; N417-I420 HydrophobicContact CB-CG1 4.46Å; N417-I420 WeakPolarHBondContact ND2-CD1 3.27Å
418	V	84.3	Confident	85.4	Confident	37 Å²	37	59.9 Å²	59.9	22%	0.224	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.9	-179.5	-65.4	0	0	0	0	115.7	L388 R389 V416	L388-V418 HydrophobicContact CB-CG1 4.46Å; L388-V418 HydrophobicContact CD2-CB 4.45Å; L388-V418 HydrophobicContact CD2-CG1 3.72Å; L388-V418 HydrophobicContact CD2-CG2 4.17Å; R389-V418 PolarHBondContact NH1-O 3.06Å; V416-V418 HydrophobicContact CG1-CG1 4.14Å; V416-V418 PolarHBondContact O-N 2.94Å
419	S	83.2	Confident	82.7	Confident	92 Å²	92	58.4 Å²	58.4	64%	0.643	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-31.5	172.7	73.9	0	0	0	0	111.4	N417	N417-S419 VanDerWaalsContact C-N 3.32Å; N417-S419 PolarHBondContact ND2-OG 3.07Å; N417-S419 PolarHBondContact O-N 3.43Å; N417-S419 WeakPolarHBondContact OD1-CB 3.42Å; N417-S419 PolarHBondContact OD1-N 3.05Å; N417-S419 PolarHBondContact OD1-OG 3.06Å
420	I	84.5	Confident	79.5	Confident	102 Å²	102	62.7 Å²	62.7	52%	0.523	39%	0.391	S	S	.	.	S	Bend	trans	-83.4	131.7	178.5	-57.3	174.8	0	0	0	109	H385 N417 S422	H385-I420 PolarHBondContact CD2-O 3.07Å; H385-I420 PolarHBondContact NE2-O 3.25Å; N417-I420 HydrophobicContact CB-CD1 4.22Å; N417-I420 HydrophobicContact CB-CG1 4.46Å; N417-I420 WeakPolarHBondContact ND2-CD1 3.27Å; I420-S422 PolarHBondContact O-N 3.42Å
421	P	81.5	Confident	76.4	Confident	100 Å²	100	67 Å²	67	65%	0.649	41%	0.414	S	S	*	.			trans	-54.1	135.9	174.1	-23.4	33	0	0	0	111.1	G423	P421-G423 PolarHBondContact O-N 2.92Å
422	S	80.1	Confident	73.2	Confident	34 Å²	34	64.4 Å²	64.4	24%	0.238	40%	0.403	C	S	.	.			trans	-60.8	1.5	179.2	56.1	0	0	0	0	115.7	H385 I420 M424	H385-S422 WeakPolarHBondContact ND1-CB 3.37Å; I420-S422 PolarHBondContact O-N 3.42Å; S422-M424 PolarHBondContact O-N 3.01Å
423	G	78.4	Confident	69.8	Low	75 Å²	75	68.4 Å²	68.4	77%	0.773	43%	0.434	S	S	*	.	S	Bend	trans	66.6	-18.7	-171.3	0	0	0	0	0	115.1	P421	P421-G423 PolarHBondContact O-N 2.92Å
424	M	80.3	Confident	66.5	Low	27 Å²	27	73.3 Å²	73.3	13%	0.133	47%	0.469	C	S	.	.			trans	-102.2	135.6	-171.7	-73.3	-65.8	-87.2	0	0	113.7	R153 P297 G355 V382 K386 S422	R153-M424 VanDerWaalsContact NH1-CE 3.27Å; R153-M424 PolarHBondContact NH1-SD 3.4Å; P297-M424 HydrophobicContact CB-CE 4.4Å; P297-M424 HydrophobicContact CB-SD 4.02Å; P297-M424 HydrophobicContact CG-CE 4.07Å; P297-M424 HydrophobicContact CG-SD 4.19Å; G355-M424 WeakPolarHBondContact O-CE 3.19Å; V382-M424 HydrophobicContact CG1-CB 3.68Å; V382-M424 HydrophobicContact CG1-CG 4.04Å; V382-M424 HydrophobicContact CG2-CB 4.46Å; V382-M424 HydrophobicContact CG2-CG 3.98Å; K386-M424 VanDerWaalsContact CE-O 3.25Å; K386-M424 WeakPolarHBondContact CE-O 3.45Å; K386-M424 PolarHBondContact NZ-O 3.39Å; S422-M424 PolarHBondContact O-N 3.01Å
425	P	78.2	Confident	63.1	Low	40 Å²	40	74.4 Å²	74.4	26%	0.26	48%	0.483	S	S	.	.			trans	-74.7	157.6	168.7	32.7	-35.3	0	0	0	111.7	I274 P297	I274-P425 HydrophobicContact CD1-CB 3.51Å; I274-P425 HydrophobicContact CD1-CG 3.52Å; P297-P425 HydrophobicContact CB-CG 4.07Å
426	S	71.4	Confident	60	Low	42 Å²	42	72.3 Å²	72.3	29%	0.294	49%	0.486	S	S	.	.			trans	-161.8	145.6	173.2	61.9	0	0	0	0	110.6	K386	K386-S426 WeakPolarHBondContact CD-OG 3.31Å; K386-S426 WeakPolarHBondContact CE-OG 3.39Å; K386-S426 PolarHBondContact NZ-OG 3.28Å
427	S	71.2	Confident	56.8	Low	42 Å²	42	76.5 Å²	76.5	29%	0.294	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-71.1	153.3	171.8	62.4	0	0	0	0	112.5	I274 P276	I274-S427 WeakPolarHBondContact O-CB 3.49Å; I274-S427 PolarHBondContact O-N 3.35Å; I274-S427 PolarHBondContact O-OG 3.49Å; P276-S427 WeakPolarHBondContact CA-O 3.2Å
428	S	50.6	Low	54.2	Low	103 Å²	103	77 Å²	77	72%	0.72	53%	0.526	S	S	*	.			trans	-71.8	137.7	168.6	-56.5	0	0	0	0	109.6	S430	S428-S430 PolarHBondContact O-N 2.82Å
429	S	40.8	Very low	51.8	Low	45 Å²	45	80.6 Å²	80.6	32%	0.315	55%	0.553	S	S	.	*			trans	-73.5	47.2	-177.9	62	0	0	0	0	113.9	N431	S429-N431 VanDerWaalsContact C-N 3.27Å; S429-N431 PolarHBondContact O-N 3.27Å
430	S	29.7	Very low	49.1	Very low	92 Å²	92	82.2 Å²	82.2	64%	0.643	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	75	173.6	52.4	0	0	0	0	110	S428	S428-S430 PolarHBondContact O-N 2.82Å
431	N	32.2	Very low	46.7	Very low	91 Å²	91	82.9 Å²	82.9	49%	0.487	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-154.9	24.2	158.2	-101.9	-6.6	0	0	0	111	E189 S429	E189-N431 PolarHBondContact OE1-OD1 3.48Å; E189-N431 VanDerWaalsContact OE1-OD1 3.06Å; E189-N431 PolarHBondContact OE2-OD1 3.38Å; E189-N431 VanDerWaalsContact OE2-OD1 3.12Å; S429-N431 VanDerWaalsContact C-N 3.27Å; S429-N431 PolarHBondContact O-N 3.27Å
432	S	28.8	Very low	44.3	Very low	35 Å²	35	83 Å²	83	25%	0.245	58%	0.582	C	S	.	*			trans	-166.7	68.8	175.3	34.5	0	0	0	0	113.4	P257 S434	P257-S432 WeakPolarHBondContact CD-OG 3.3Å; P257-S432 WeakPolarHBondContact CG-OG 3.33Å; S432-S434 PolarHBondContact O-N 2.78Å
433	S	24.8	Very low	42.1	Very low	115 Å²	115	88.2 Å²	88.2	80%	0.804	61%	0.612	S	S	*	*			trans	-84.7	81.5	162.5	-59.9	0	0	0	0	109.5	S435	S433-S435 VanDerWaalsContact C-N 3.32Å; S433-S435 PolarHBondContact O-N 3.33Å; S433-S435 VanDerWaalsContact O-N 3.1Å
434	S	25.9	Very low	39.8	Very low	107 Å²	107	91.1 Å²	91.1	75%	0.748	62%	0.615	S	S	*	*			trans	-77.6	82.7	167	-45.4	0	0	0	0	109.3	S432 S436	S432-S434 PolarHBondContact O-N 2.78Å; S434-S436 PolarHBondContact O-N 2.87Å
435	S	25.2	Very low	37.7	Very low	111 Å²	111	96.6 Å²	96.6	78%	0.776	65%	0.65	S	S	*	*			trans	-82.9	88.9	163.9	-68.9	0	0	0	0	108.6	S433 S437	S433-S435 VanDerWaalsContact C-N 3.32Å; S433-S435 PolarHBondContact O-N 3.33Å; S433-S435 VanDerWaalsContact O-N 3.1Å; S435-S437 PolarHBondContact O-N 3.41Å
436	S	28.1	Very low	35.4	Very low	113 Å²	113	99.2 Å²	99.2	79%	0.79	67%	0.669	S	S	*	*			trans	-83.2	95.5	163.8	-57.3	0	0	0	0	108.3	S434	S434-S436 PolarHBondContact O-N 2.87Å
437	S	25.4	Very low	33.7	Very low	117 Å²	117	104.1 Å²	104.1	82%	0.818	69%	0.692	S	S	*	*			trans	-86	110.7	159.6	36.4	0	0	0	0	108.2	S435	S435-S437 PolarHBondContact O-N 3.41Å
438	S	33.4	Very low	31.9	Very low	97 Å²	97	109.1 Å²	109.1	68%	0.678	72%	0.715	S	S	*	*			trans	-139.2	99	164.3	53.6	0	0	0	0	108
439	S	33.3	Very low	31	Very low	112 Å²	112	112.3 Å²	112.3	78%	0.783	72%	0.719	S	S	*	*			trans	24.3	111.6	135.7	37.1	0	0	0	0	118
440	S	28.2	Very low	30.6	Very low	127 Å²	127	116.9 Å²	116.9	89%	0.888	75%	0.745	S	S	*	*			trans	4	115.5	139.6	-30.6	0	0	0	0	116.9
441	S	34	Very low	30.5	Very low	115 Å²	115	120.7 Å²	120.7	80%	0.804	75%	0.752	S	S	*	*			trans	-158.1	126.1	134.6	-166.3	0	0	0	0	108.8
442	S	29.8	Very low	30.5	Very low	103 Å²	103	121.9 Å²	121.9	72%	0.72	77%	0.768	S	S	*	*			trans	-59.8	134.1	177.3	43.1	0	0	0	0	112.8
443	T	33.6	Very low	30.5	Very low	144 Å²	144	127 Å²	127	88%	0.883	79%	0.793	S	S	*	*			trans	-160.4	129.9	135.1	-5.3	0	0	0	0	110.3
444	V	31.5	Very low	31	Very low	136 Å²	136	129.8 Å²	129.8	82%	0.824	80%	0.798	S	S	*	*			trans	-79.1	134.6	-179.4	-134.1	0	0	0	0	108.4
445	T	35	Very low	31	Very low	142 Å²	142	128.9 Å²	128.9	87%	0.871	79%	0.791	S	S	*	*			trans	-152.5	129.9	135.9	48.3	0	0	0	0	109.1
446	S	31.1	Very low	31.2	Very low	95 Å²	95	133 Å²	133	66%	0.664	80%	0.795	S	S	*	*			trans	-52.7	150.2	171.4	39.9	0	0	0	0	113.4
447	D	34.5	Very low	31.4	Very low	144 Å²	144	134.7 Å²	134.7	77%	0.77	79%	0.794	S	S	*	*				-173.7	109.7	124.7	-83.2	-18.1	0	0	0	111.2
448	N	35	Very low	31.5	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	79%	0.793	S	S	*	*			trans	44.8	109.7	140.4	-59.9	-22.7	0	0	0	122.1
449	E	29.7	Very low	31.4	Very low	170 Å²	170	139.1 Å²	139.1	79%	0.794	80%	0.801	S	S	*	*			trans	7.2	124.2	137.7	-57.2	-169.3	153.3	0	0	120.3
450	V	32.9	Very low	31.3	Very low	142 Å²	142	143.1 Å²	143.1	86%	0.861	81%	0.807	S	S	*	*				-138.9	114.2	125.4	-179.8	0	0	0	0	107.7
451	Q	28	Very low	31.3	Very low	171 Å²	171	146.9 Å²	146.9	80%	0.799	80%	0.802	S	S	*	*			trans	-63.6	133.3	170.1	-92.4	168.7	-33.4	0	0	110.7
452	S	32.8	Very low	31.1	Very low	117 Å²	117	151.4 Å²	151.4	82%	0.818	81%	0.807	S	S	*	*			trans	-146.3	125.3	148.3	48.3	0	0	0	0	108.7	L454	S452-L454 PolarHBondContact O-N 3.12Å
453	D	28.9	Very low	31.1	Very low	143 Å²	143	154.7 Å²	154.7	77%	0.765	81%	0.805	S	S	*	*			trans	-67.1	116.6	-173.7	-82.2	-52.2	0	0	0	112.7
454	L	34.2	Very low	30.9	Very low	173 Å²	173	153.4 Å²	153.4	91%	0.906	80%	0.8	S	S	*	*			trans	-135.4	70.4	153.3	-80.6	172.3	0	0	0	107.6	S452	S452-L454 PolarHBondContact O-N 3.12Å
455	S	27.2	Very low	30.8	Very low	88 Å²	88	157.3 Å²	157.3	62%	0.615	80%	0.8	S	S	*	*			trans	-94.7	147.6	166.2	65.2	0	0	0	0	109.7
456	K	28.9	Very low	30.6	Very low	198 Å²	198	158.9 Å²	158.9	86%	0.861	80%	0.797	S	S	*	*			trans	89.2	68.5	172.6	-51.9	178.6	-178.4	176.3	0	118
457	I	32.4	Very low	30.6	Very low	148 Å²	148	165.1 Å²	165.1	76%	0.759	81%	0.806	S	S	*	*			trans	-133.5	101.5	136.9	-60.3	178.6	0	0	0	108.1	F459	I457-F459 HydrophobicContact CG2-CD2 4.19Å
458	S	27.3	Very low	30.5	Very low	114 Å²	114	166.7 Å²	166.7	80%	0.797	81%	0.806	S	S	*	*			trans	-74	127.7	165.6	49	0	0	0	0	108.8
459	F	31.9	Very low	30.2	Very low	193 Å²	193	170.4 Å²	170.4	85%	0.846	81%	0.809	S	S	*	*			trans	-136.5	118.9	162.3	-119.2	-86.2	0	0	0	110	I457 R461	I457-F459 HydrophobicContact CG2-CD2 4.19Å; F459-R461 PolarHBondContact O-N 3.18Å
460	Q	30.6	Very low	30.4	Very low	195 Å²	195	173 Å²	173	91%	0.911	81%	0.812	S	S	*	*			trans	-59.7	130.2	178.2	-76.2	174	-26.5	0	0	110.9
461	R	28.2	Very low	30.3	Very low	206 Å²	206	175.3 Å²	175.3	78%	0.777	81%	0.813	S	S	*	*			trans	-77.1	121.5	171	-83.5	173.9	161.8	179.7	-4.6	110.2	F459 Y463	F459-R461 PolarHBondContact O-N 3.18Å; R461-Y463 HydrophobicContact CB-CD2 4.3Å; R461-Y463 HydrophobicContact CG-CD2 4.19Å; R461-Y463 HydrophobicContact CG-CE2 4.36Å
462	K	29.1	Very low	30.5	Very low	210 Å²	210	173.3 Å²	173.3	91%	0.913	82%	0.816	S	S	*	*			trans	-101.3	96.5	149.5	-87.9	-177.6	177.9	174.9	0	109
463	Y	30	Very low	30.5	Very low	172 Å²	172	173.1 Å²	173.1	68%	0.675	82%	0.815	S	S	*	*			trans	-91	102.6	163.8	-99.3	-91.1	0	0	0	108.1	R461 R465	R461-Y463 HydrophobicContact CB-CD2 4.3Å; R461-Y463 HydrophobicContact CG-CD2 4.19Å; R461-Y463 HydrophobicContact CG-CE2 4.36Å; Y463-R465 PolarHBondContact O-N 3.17Å
464	C	29.2	Very low	30.6	Very low	117 Å²	117	172.3 Å²	172.3	79%	0.791	82%	0.817	S	S	*	*			trans	-84.9	93.9	162.4	-81.1	0	0	0	0	109
465	R	30	Very low	30.8	Very low	218 Å²	218	171 Å²	171	82%	0.823	82%	0.817	S	S	*	*			trans	-89.4	97.6	160.4	-90	-178	169.2	172.7	-3.1	108.1	Y463 R467	Y463-R465 PolarHBondContact O-N 3.17Å; R465-R467 PolarHBondContact O-N 3.06Å
466	H	30.4	Very low	31.1	Very low	176 Å²	176	170.2 Å²	170.2	82%	0.815	82%	0.822	S	S	*	*			trans	-81.6	94.6	162.9	-87.7	5	0	0	0	109.8	K468	H466-K468 PolarHBondContact O-N 3.28Å
467	R	31	Very low	31.1	Very low	225 Å²	225	166.5 Å²	166.5	85%	0.849	82%	0.821	S	S	*	*			trans	-74.9	101.6	157.8	-104.5	179.5	164	173	-4.3	107.4	R465 R469	R465-R467 PolarHBondContact O-N 3.06Å; R467-R469 PolarHBondContact O-N 3Å
468	K	33	Very low	31.2	Very low	177 Å²	177	168.9 Å²	168.9	77%	0.77	83%	0.829	S	S	*	*			trans	-83.7	96.7	158.8	-89.8	-177.3	176.7	174.5	0	108.2	H466	H466-K468 PolarHBondContact O-N 3.28Å
469	R	28.6	Very low	31.3	Very low	225 Å²	225	175.5 Å²	175.5	85%	0.849	84%	0.836	S	S	*	*			trans	-70.9	123.6	155.4	-82.4	-179.7	161.4	179.4	-5.8	107.1	R467	R467-R469 PolarHBondContact O-N 3Å
470	R	33.1	Very low	31.4	Very low	226 Å²	226	171.1 Å²	171.1	85%	0.853	84%	0.836	S	S	*	*			trans	-128.3	105.4	155.2	-78.6	-169.2	174.8	-176.3	-2.4	107.9
471	H	31.5	Very low	31.5	Very low	190 Å²	190	167.5 Å²	167.5	88%	0.88	83%	0.83	S	S	*	*			trans	-67.9	131.7	152.6	-95.9	1.1	0	0	0	107.8
472	C	32.6	Very low	31.6	Very low	129 Å²	129	165.8 Å²	165.8	87%	0.872	83%	0.831	S	S	*	*			trans	-151.4	134.5	146.6	-93.7	0	0	0	0	107.9
473	S	32	Very low	31.9	Very low	112 Å²	112	161.8 Å²	161.8	78%	0.783	83%	0.828	S	S	*	*			trans	-65.1	168.3	-167.7	-50.1	0	0	0	0	114.8
474	P	32.4	Very low	32.1	Very low	126 Å²	126	163.8 Å²	163.8	82%	0.818	84%	0.835	S	S	*	*			trans	-89.3	127.8	-177.3	34	-27.3	0	0	0	111.6
475	V	37	Very low	32.4	Very low	147 Å²	147	166.1 Å²	166.1	89%	0.891	84%	0.839	S	S	*	*			trans	-141.6	113.2	163.2	-174.8	0	0	0	0	104.3
476	G	33	Very low	32.7	Very low	70 Å²	70	164.8 Å²	164.8	72%	0.722	84%	0.839	S	S	*	*				114.6	122.8	85.5	0	0	0	0	0	106.8
477	S	30.5	Very low	33.3	Very low	120 Å²	120	163.3 Å²	163.3	84%	0.839	84%	0.843	S	S	*	*			trans	-66.5	131.8	-178.2	52.3	0	0	0	0	111.8
478	E	33.7	Very low	33.7	Very low	199 Å²	199	159.1 Å²	159.1	93%	0.93	84%	0.843	S	S	*	*			trans	-147.1	132.6	156.1	-110.6	172.2	-160.6	0	0	111.6
479	R	29.4	Very low	34.2	Very low	252 Å²	252	156.4 Å²	156.4	95%	0.951	85%	0.846	S	S	*	*			trans	-83.6	132.1	173.3	-67.2	173.5	-177.9	-177.8	2.4	107.7
480	A	34.2	Very low	34.8	Very low	102 Å²	102	157.8 Å²	157.8	84%	0.843	85%	0.851	S	S	*	*			trans	-159.1	149	159.5	0	0	0	0	0	108.2
481	C	32.9	Very low	35.5	Very low	118 Å²	118	156.2 Å²	156.2	80%	0.797	88%	0.875	S	S	*	*			cis	-165.5	144.4	-27.7	-153.5	0	0	0	0	102.8	C483	C481-C483 PolarHBondContact O-N 2.73Å
482	E	30.4	Very low	35.7	Very low	170 Å²	170	154.6 Å²	154.6	79%	0.794	88%	0.875	S	S	*	*			trans	-71.8	119	171.4	-73.3	177.8	149.3	0	0	109.5
483	C	34.2	Very low	35.8	Very low	126 Å²	126	155.9 Å²	155.9	85%	0.851	88%	0.875	S	S	*	*			trans	-96.6	103	163.1	-73.3	0	0	0	0	109.5	C481	C481-C483 PolarHBondContact O-N 2.73Å
484	R	34.9	Very low	36.1	Very low	215 Å²	215	158.3 Å²	158.3	81%	0.811	88%	0.88	S	S	*	*			trans	-75.2	128.2	161.1	-73.2	175.5	175.2	-178.4	-0.7	108.5
485	N	35.8	Very low	36.3	Very low	165 Å²	165	160.2 Å²	160.2	88%	0.882	88%	0.884	S	S	*	*			trans	-100.3	105.6	153	-83.1	-12.8	0	0	0	107.9
486	K	36.7	Very low	36.2	Very low	190 Å²	190	161.1 Å²	161.1	83%	0.826	88%	0.883	S	S	*	*			trans	-119	100.2	156.7	-89.9	-169	175.4	-171.5	0	106.4
487	T	42.7	Very low	36.4	Very low	146 Å²	146	167.1 Å²	167.1	90%	0.896	89%	0.894	S	S	*	*	P	Polyproline II helix	trans	-74.8	120.4	160.2	26.9	0	0	0	0	107.8
488	T	39	Very low	36.9	Very low	136 Å²	136	170.5 Å²	170.5	83%	0.834	90%	0.898	S	S	*	*	P	Polyproline II helix	trans	-102.9	118.5	164.3	30.5	0	0	0	0	106.3
489	S	43.7	Very low	37.1	Very low	120 Å²	120	168.3 Å²	168.3	84%	0.839	90%	0.895	S	S	*	*	P	Polyproline II helix	trans	-89.8	135.1	165.1	50.3	0	0	0	0	108.4
490	R	40.8	Very low	37.8	Very low	254 Å²	254	161.3 Å²	161.3	96%	0.958	89%	0.891	S	S	*	*	P	Polyproline II helix	trans	-59.5	135.7	178.8	-70	169.8	165.7	179.1	-6.5	112.7
491	S	47.9	Very low	38.1	Very low	194 Å²	194	166.7 Å²	166.7	100%	1.357	90%	0.895	S	S	*	*			trans	-154.1	0	132.4	58.6	0	0	0	0	106.8

Retrieved 491 of 491 residues in 1196.5 ms (Link to these results)

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