A0A077Z261_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z261, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 360 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	35.4	Very low	36	Very low	235 Å²	235	180.7 Å²	180.7	100%	1.158	83%	0.826	S	S	*	*				0	96.1	0	-79	175.5	175.6	0	0	107.1
2	L	33.9	Very low	36.7	Very low	156 Å²	156	175.6 Å²	175.6	82%	0.817	83%	0.826	S	S	*	*				59.6	95.6	98.7	-79.7	157.4	0	0	0	111.2
3	V	32.2	Very low	37.1	Very low	107 Å²	107	172.9 Å²	172.9	65%	0.648	82%	0.821	S	S	*	*				86.7	126.9	69.2	168	0	0	0	0	112.2
4	Q	35	Very low	37.7	Very low	145 Å²	145	172.2 Å²	172.2	68%	0.678	82%	0.824	S	S	*	*			trans	103.9	127	138.2	-90.7	165.3	29.4	0	0	123.4
5	K	37.5	Very low	37.8	Very low	161 Å²	161	170 Å²	170	70%	0.7	82%	0.819	S	S	*	*				96.1	105.7	121.1	-88.6	161.6	-173.2	168.3	0	120
6	H	37.4	Very low	38.1	Very low	182 Å²	182	166.2 Å²	166.2	84%	0.843	82%	0.815	S	S	*	*				23.5	127.7	113.1	-73.4	-40.9	0	0	0	118.1
7	R	37	Very low	38.7	Very low	245 Å²	245	162.1 Å²	162.1	93%	0.925	81%	0.807	S	S	*	*				-176.7	150.8	89.2	-119.7	173.2	175.9	-179.7	-3.3	112.2
8	S	36	Very low	39.1	Very low	93 Å²	93	162.9 Å²	162.9	65%	0.65	81%	0.808	S	S	*	*			trans	-73.8	152.5	-175.6	52.8	0	0	0	0	116.3
9	Q	36.7	Very low	39.5	Very low	179 Å²	179	160.7 Å²	160.7	84%	0.836	81%	0.807	S	S	*	*				148.8	121.2	117.8	-87.1	178.4	-5.9	0	0	111.9
10	R	38.3	Very low	39.8	Very low	256 Å²	256	158.5 Å²	158.5	97%	0.966	80%	0.802	S	S	*	*				-174.9	127.6	127.7	-98.5	166.2	-170.7	-151.1	2	109.8
11	R	37	Very low	40.5	Very low	229 Å²	229	154.1 Å²	154.1	86%	0.864	79%	0.785	S	S	*	*			trans	-73.8	148.1	175.8	-70.2	176	172.3	177.3	-5.4	110.4
12	S	44.5	Very low	41.7	Very low	119 Å²	119	148.4 Å²	148.4	83%	0.832	77%	0.765	S	S	*	*			trans	-131	113.2	152.3	54	0	0	0	0	107
13	D	41.7	Very low	43.1	Very low	141 Å²	141	142.9 Å²	142.9	75%	0.754	74%	0.736	S	S	*	*			trans	-73.7	131.8	173.2	-59.8	-49.5	0	0	0	109.1
14	D	45.1	Very low	45.1	Very low	163 Å²	163	146.9 Å²	146.9	87%	0.872	74%	0.739	S	S	*	*			trans	-133.7	85	161	-158.1	17.4	0	0	0	106.1
15	D	40.2	Very low	47.3	Very low	139 Å²	139	145.3 Å²	145.3	74%	0.743	73%	0.732	S	S	*	*			trans	-116.8	97.9	178.4	-172.3	17	0	0	0	107.8
16	S	42.7	Very low	49.5	Very low	109 Å²	109	139.9 Å²	139.9	76%	0.762	71%	0.71	S	S	*	*			trans	-135.1	65.7	165.5	70.7	0	0	0	0	109.1
17	S	47.6	Very low	51.7	Low	97 Å²	97	140.5 Å²	140.5	68%	0.678	71%	0.71	S	S	*	*			trans	-82.9	109	162.2	64	0	0	0	0	109.1
18	E	46	Very low	54	Low	176 Å²	176	132.1 Å²	132.1	82%	0.822	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-54.7	138.3	164.4	-75.3	-168.7	159.7	0	0	109.2	V20	E18-V20 PolarHBondContact O-N 3.04Å
19	P	45.6	Very low	56.5	Low	121 Å²	121	128 Å²	128	79%	0.786	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-60.9	116.4	176.5	-10.1	21.7	0	0	0	108.7	P21	P19-P21 WeakPolarHBondContact O-CD 3.33Å; P19-P21 VanDerWaalsContact O-N 3.1Å
20	V	47.3	Very low	59.1	Low	117 Å²	117	119.8 Å²	119.8	71%	0.709	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-57.7	118.6	169.7	179.4	0	0	0	0	106.5	E18	E18-V20 PolarHBondContact O-N 3.04Å
21	P	54.4	Low	61.6	Low	67 Å²	67	107.8 Å²	107.8	44%	0.435	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-57.5	138.1	179.7	20.9	-30.4	0	0	0	108.4	P19 I23 Y116	P19-P21 WeakPolarHBondContact O-CD 3.33Å; P19-P21 VanDerWaalsContact O-N 3.1Å; P21-I23 PolarHBondContact O-N 2.91Å; P21-Y116 HydrophobicContact CB-CD1 4.3Å; P21-Y116 HydrophobicContact CB-CE1 4.1Å
22	P	60.2	Low	64	Low	115 Å²	115	98.6 Å²	98.6	75%	0.747	55%	0.546	S	S	*	.	S	Bend	trans	-60.7	-14.1	-173.8	20.3	-30.2	0	0	0	113
23	I	63.8	Low	66	Low	39 Å²	39	93.8 Å²	93.8	20%	0.2	51%	0.512	C	S	.	.			trans	-116.2	119.7	-172.3	-55.7	175.4	0	0	0	109.7	P21 L31 Y115 Y116	P21-I23 PolarHBondContact O-N 2.91Å; I23-L31 HydrophobicContact CG2-CD1 3.39Å; I23-L31 HydrophobicContact CG2-CG 4.11Å; I23-Y115 HydrophobicContact CD1-CE1 3.56Å; I23-Y115 VanDerWaalsContact CD1-CZ 3.48Å; I23-Y115 WeakPolarHBondContact CD1-OH 3.37Å; I23-Y116 HydrophobicContact CD1-CD2 4.36Å; I23-Y116 HydrophobicContact CD1-CE2 4.03Å
24	R	73.4	Confident	68.3	Low	191 Å²	191	93.4 Å²	93.4	72%	0.721	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-91.9	145.1	179.4	-61.7	179.9	179.4	-179.4	-0.7	109	A32	R24-A32 WeakPolarHBondContact O-CB 3.41Å; R24-A32 PolarHBondContact O-N 2.74Å
25	H	80.4	Confident	70.6	Confident	113 Å²	113	95.5 Å²	95.5	52%	0.523	50%	0.501	S	S	.	.	B	Isolated β-bridge	trans	-94.4	150.3	156.4	53	-96.3	0	0	0	109.5	H30	H25-H30 CarbonylContact C-O 3.57Å; H25-H30 WeakPolarHBondContact CA-O 3.18Å; H25-H30 WeakPolarHBondContact CB-O 2.87Å
26	D	83.9	Confident	73.1	Confident	46 Å²	46	90.9 Å²	90.9	25%	0.246	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-71.9	170.3	171.3	69.4	20.2	0	0	0	111.2	D28 G29 H30 R56	D26-D28 PolarHBondContact O-N 2.97Å; D26-D28 VanDerWaalsContact OD1-CA 3.32Å; D26-D28 WeakPolarHBondContact OD1-CA 3.32Å; D26-D28 WeakPolarHBondContact OD1-CB 3.21Å; D26-D28 PolarHBondContact OD1-N 2.94Å; D26-G29 PolarHBondContact O-N 2.93Å; D26-G29 PolarHBondContact OD1-N 3.03Å; D26-H30 PolarHBondContact N-O 3.13Å; D26-H30 IonicContact OD1-CG 3.78Å; D26-H30 PolarHBondContact OD1-N 3.46Å; D26-H30 IonicContact OD1-ND1 3.9Å; D26-H30 PolarHBondContact OD1-ND1 2.86Å; D26-H30 WeakPolarHBondContact OD2-CB 3.02Å; D26-H30 IonicContact OD2-CG 2.65Å; D26-H30 IonicContact OD2-ND1 3.5Å; D26-H30 PolarHBondContact OD2-ND1 2.95Å; D26-H30 VanDerWaalsContact OD2-ND1 3.11Å; D26-R56 IonicContact OD2-NH2 2.72Å
27	K	84.2	Confident	75.6	Confident	195 Å²	195	88.6 Å²	88.6	85%	0.848	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.9	177.3	64.3	-179.6	-178.8	177.1	0	113.9
28	D	85.1	Confident	77.8	Confident	69 Å²	69	87.4 Å²	87.4	37%	0.369	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.9	-179	-65.9	-57.1	0	0	0	112.5	D26 K79	D26-D28 PolarHBondContact O-N 2.97Å; D26-D28 VanDerWaalsContact OD1-CA 3.32Å; D26-D28 WeakPolarHBondContact OD1-CA 3.32Å; D26-D28 WeakPolarHBondContact OD1-CB 3.21Å; D26-D28 PolarHBondContact OD1-N 2.94Å; D28-K79 WeakPolarHBondContact O-CE 3.45Å; D28-K79 PolarHBondContact O-NZ 3Å
29	G	87.7	Confident	80	Confident	6 Å²	6	79.1 Å²	79.1	6%	0.062	41%	0.413	C	S	.	.	S	Bend	trans	86.1	15.6	177.5	0	0	0	0	0	113.9	D26 R77 N78 H118	D26-G29 PolarHBondContact O-N 2.93Å; D26-G29 PolarHBondContact OD1-N 3.03Å; G29-R77 CarbonylContact O-C 3.55Å; G29-R77 WeakPolarHBondContact O-CA 3.2Å; G29-R77 WeakPolarHBondContact O-CB 3.49Å; G29-N78 PolarHBondContact O-N 2.89Å; G29-H118 PolarHBondContact O-CE1 2.86Å
30	H	91.3	Very high	82.3	Confident	7 Å²	7	77.5 Å²	77.5	3%	0.032	40%	0.397	C	S	.	.			trans	-81.6	147.8	171.6	-60	102.9	0	0	0	111.6	H25 D26 A32 E51 R77	H25-H30 CarbonylContact C-O 3.57Å; H25-H30 WeakPolarHBondContact CA-O 3.18Å; H25-H30 WeakPolarHBondContact CB-O 2.87Å; D26-H30 PolarHBondContact N-O 3.13Å; D26-H30 IonicContact OD1-CG 3.78Å; D26-H30 PolarHBondContact OD1-N 3.46Å; D26-H30 IonicContact OD1-ND1 3.9Å; D26-H30 PolarHBondContact OD1-ND1 2.86Å; D26-H30 WeakPolarHBondContact OD2-CB 3.02Å; D26-H30 IonicContact OD2-CG 2.65Å; D26-H30 IonicContact OD2-ND1 3.5Å; D26-H30 PolarHBondContact OD2-ND1 2.95Å; D26-H30 VanDerWaalsContact OD2-ND1 3.11Å; H30-A32 PolarHBondContact O-N 3.21Å; H30-E51 IonicContact CE1-OE1 3.19Å; H30-E51 IonicContact NE2-OE1 3.64Å; H30-R77 PolarHBondContact CD2-NE 3.35Å; H30-R77 PolarHBondContact CE1-NE 3.04Å; H30-R77 PolarHBondContact CE1-NH2 2.99Å; H30-R77 PolarHBondContact NE2-NE 3.44Å; H30-R77 PolarHBondContact NE2-NH2 3.27Å
31	L	90.9	Very high	84.4	Confident	5 Å²	5	78.3 Å²	78.3	3%	0.026	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-64.9	124.2	167.6	-165.2	68.3	0	0	0	109.4	I23 C33 I39 R56 V75 Y115 H118	I23-L31 HydrophobicContact CG2-CD1 3.39Å; I23-L31 HydrophobicContact CG2-CG 4.11Å; L31-C33 WeakPolarHBondContact CD2-SG 3.44Å; L31-C33 VanDerWaalsContact CG-SG 3.5Å; L31-C33 PolarHBondContact O-N 3.08Å; L31-I39 HydrophobicContact CD2-CD1 4.15Å; L31-R56 PolarHBondContact O-NH1 2.83Å; L31-V75 HydrophobicContact CB-CG1 3.84Å; L31-V75 HydrophobicContact CD2-CG1 3.83Å; L31-V75 HydrophobicContact CG-CG1 4.49Å; L31-Y115 HydrophobicContact CD1-CD1 4.31Å; L31-Y115 HydrophobicContact CD1-CE1 4.47Å; L31-Y115 HydrophobicContact CD2-CD1 3.81Å; L31-Y115 HydrophobicContact CD2-CE1 4.07Å; L31-H118 PolarHBondContact N-CE1 3.36Å; L31-H118 VanDerWaalsContact N-CE1 3.25Å
32	A	88.4	Confident	86.3	Confident	36 Å²	36	77.5 Å²	77.5	30%	0.298	39%	0.387	S	S	.	.			trans	-80.8	97.6	173.6	0	0	0	0	0	108.8	R24 H30	R24-A32 WeakPolarHBondContact O-CB 3.41Å; R24-A32 PolarHBondContact O-N 2.74Å; H30-A32 PolarHBondContact O-N 3.21Å
33	C	86.7	Confident	88	Confident	18 Å²	18	72.2 Å²	72.2	12%	0.122	35%	0.352	C	S	.	.			trans	-121.3	146.2	178.4	-75	0	0	0	0	111	L31 D37 I45 F58	L31-C33 WeakPolarHBondContact CD2-SG 3.44Å; L31-C33 VanDerWaalsContact CG-SG 3.5Å; L31-C33 PolarHBondContact O-N 3.08Å; C33-D37 WeakPolarHBondContact CA-OD2 3.29Å; C33-I45 HydrophobicContact CB-CD1 3.4Å; C33-F58 HydrophobicContact CB-CE1 4.33Å; C33-F58 HydrophobicContact CB-CE2 4.43Å; C33-F58 HydrophobicContact CB-CZ 3.95Å
34	H	88.6	Confident	89.5	Confident	132 Å²	132	72.7 Å²	72.7	61%	0.611	35%	0.354	S	S	*	.			trans	-123.6	161.1	175.7	-53.2	87.1	0	0	0	110	G36 D37	H34-G36 PolarHBondContact O-N 3.34Å; H34-D37 PolarHBondContact N-OD2 3.38Å; H34-D37 IonicContact ND1-OD2 2.85Å; H34-D37 VanDerWaalsContact O-CB 3.29Å; H34-D37 WeakPolarHBondContact O-CB 3.48Å; H34-D37 PolarHBondContact O-N 2.79Å; H34-D37 VanDerWaalsContact O-N 3.08Å
35	R	93.9	Very high	90.6	Very high	207 Å²	207	63.7 Å²	63.7	78%	0.781	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	130.5	172.3	178.6	174.1	-178.3	-177.1	2.1	110.1	L46	R35-L46 WeakPolarHBondContact CD-O 3.34Å; R35-L46 VanDerWaalsContact CG-O 3.29Å; R35-L46 WeakPolarHBondContact CG-O 3.43Å; R35-L46 PolarHBondContact NE-O 3.39Å
36	G	93.5	Very high	91.4	Very high	43 Å²	43	59.8 Å²	59.8	44%	0.443	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-13.6	-176.1	0	0	0	0	0	114.3	H34 I45	H34-G36 PolarHBondContact O-N 3.34Å; G36-I45 PolarHBondContact N-O 2.82Å
37	D	93.9	Very high	91.9	Very high	61 Å²	61	62.1 Å²	62.1	33%	0.326	32%	0.315	S	S	.	.			trans	-65.9	148.8	175.7	-69.6	-11.2	0	0	0	111	C33 H34 I45	C33-D37 WeakPolarHBondContact CA-OD2 3.29Å; H34-D37 PolarHBondContact N-OD2 3.38Å; H34-D37 IonicContact ND1-OD2 2.85Å; H34-D37 VanDerWaalsContact O-CB 3.29Å; H34-D37 WeakPolarHBondContact O-CB 3.48Å; H34-D37 PolarHBondContact O-N 2.79Å; H34-D37 VanDerWaalsContact O-N 3.08Å; D37-I45 HydrophobicContact CB-CD1 4.22Å; D37-I45 PolarHBondContact O-N 3.25Å
38	L	94.1	Very high	92.4	Very high	72 Å²	72	56.1 Å²	56.1	38%	0.377	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.4	176.8	-67.5	170.3	0	0	0	110.7	Y43 E44 L63 Y115	L38-Y43 WeakPolarHBondContact CA-O 3.33Å; L38-E44 HydrophobicContact CD2-CB 3.81Å; L38-E44 HydrophobicContact CD2-CG 4.36Å; L38-L63 HydrophobicContact CD2-CD1 3.6Å; L38-Y115 PolarHBondContact O-OH 3.18Å
39	I	93.1	Very high	92.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.5	168.4	-66.1	173.4	0	0	0	108.4	L31 D41 K42 Y43 I45 L73 F113 Y115	L31-I39 HydrophobicContact CD2-CD1 4.15Å; I39-D41 PolarHBondContact O-N 3.19Å; I39-K42 PolarHBondContact O-N 2.81Å; I39-K42 VanDerWaalsContact O-N 3.1Å; I39-Y43 PolarHBondContact N-O 3.04Å; I39-Y43 PolarHBondContact O-N 3.25Å; I39-I45 HydrophobicContact CD1-CD1 3.91Å; I39-I45 HydrophobicContact CD1-CG1 4.4Å; I39-I45 HydrophobicContact CG1-CD1 4.34Å; I39-L73 HydrophobicContact CD1-CD2 3.44Å; I39-L73 VanDerWaalsContact CD1-CD2 3.44Å; I39-F113 HydrophobicContact CG2-CE2 3.69Å; I39-F113 HydrophobicContact CG2-CZ 3.91Å; I39-Y115 HydrophobicContact CB-CE1 4.36Å; I39-Y115 HydrophobicContact CG1-CD1 4.43Å; I39-Y115 HydrophobicContact CG1-CE1 3.95Å; I39-Y115 HydrophobicContact CG2-CD1 3.98Å; I39-Y115 HydrophobicContact CG2-CD2 3.98Å; I39-Y115 HydrophobicContact CG2-CE1 4Å; I39-Y115 HydrophobicContact CG2-CE2 4.03Å; I39-Y115 HydrophobicContact CG2-CG 3.93Å
40	L	92.8	Very high	92.9	Very high	87 Å²	87	57.9 Å²	57.9	46%	0.455	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	32.5	-176.5	-62.4	175	0	0	0	114	K42 F113 Y115	L40-K42 WeakPolarHBondContact O-CB 3.27Å; L40-K42 PolarHBondContact O-N 2.65Å; L40-F113 HydrophobicContact CD1-CD1 4.4Å; L40-F113 HydrophobicContact CD1-CD2 3.46Å; L40-F113 VanDerWaalsContact CD1-CD2 3.46Å; L40-F113 HydrophobicContact CD1-CE2 3.6Å; L40-F113 HydrophobicContact CD1-CG 3.89Å; L40-F113 HydrophobicContact CD1-CZ 4.14Å; L40-F113 HydrophobicContact CG-CD2 4.38Å; L40-F113 HydrophobicContact CG-CE2 4.23Å; L40-Y115 HydrophobicContact CD2-CD2 3.68Å; L40-Y115 HydrophobicContact CD2-CE2 3.84Å; L40-Y115 HydrophobicContact CG-CD2 3.84Å; L40-Y115 HydrophobicContact CG-CE2 4.02Å
41	D	91.8	Very high	92.8	Very high	135 Å²	135	63.2 Å²	63.2	72%	0.722	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	22.8	-173.9	-60	-44.5	0	0	0	113.9	I39	I39-D41 PolarHBondContact O-N 3.19Å
42	K	94.4	Very high	92.5	Very high	49 Å²	49	64.7 Å²	64.7	21%	0.213	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-44.2	-168.9	177.7	-179.9	176.9	-169.7	0	112.4	I39 L40 D62 L63	I39-K42 PolarHBondContact O-N 2.81Å; I39-K42 VanDerWaalsContact O-N 3.1Å; L40-K42 WeakPolarHBondContact O-CB 3.27Å; L40-K42 PolarHBondContact O-N 2.65Å; K42-D62 VanDerWaalsContact CE-CG 3.46Å; K42-D62 WeakPolarHBondContact CE-OD1 3.18Å; K42-D62 WeakPolarHBondContact CE-OD2 3.29Å; K42-D62 IonicContact NZ-OD2 3.64Å; K42-L63 WeakPolarHBondContact O-CB 3.47Å; K42-L63 WeakPolarHBondContact O-CG 3.12Å; K42-L63 PolarHBondContact O-N 3.15Å
43	Y	96.1	Very high	92.3	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.016	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	104.4	-175.6	-59.8	-71	0	0	0	109.8	L38 I39 V60 R61 D62 L71 F113 V122	L38-Y43 WeakPolarHBondContact CA-O 3.33Å; I39-Y43 PolarHBondContact N-O 3.04Å; I39-Y43 PolarHBondContact O-N 3.25Å; Y43-V60 HydrophobicContact CD1-CG2 3.99Å; Y43-V60 HydrophobicContact CG-CG2 4.49Å; Y43-R61 WeakPolarHBondContact CA-O 3.43Å; Y43-D62 HydrophobicContact CD1-CB 4.13Å; Y43-D62 HydrophobicContact CE1-CB 3.99Å; Y43-L71 HydrophobicContact CE1-CD1 4.22Å; Y43-F113 HydrophobicContact CD2-CE1 4.13Å; Y43-F113 AromaticContact CD2-CZ 3.92Å; Y43-F113 HydrophobicContact CD2-CZ 3.92Å; Y43-F113 HydrophobicContact CE2-CD1 4.48Å; Y43-F113 AromaticContact CE2-CE1 3.56Å; Y43-F113 HydrophobicContact CE2-CE1 3.56Å; Y43-F113 AromaticContact CE2-CZ 3.83Å; Y43-F113 HydrophobicContact CE2-CZ 3.83Å; Y43-V122 HydrophobicContact CE1-CG1 4.34Å; Y43-V122 HydrophobicContact CE1-CG2 4.44Å; Y43-V122 HydrophobicContact CE2-CG2 4.47Å
44	E	96	Very high	92.3	Very high	50 Å²	50	70.5 Å²	70.5	23%	0.234	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.3	174.2	-178.4	-166.8	-174.5	0	0	109.8	L38 L46 V60 R61 L63	L38-E44 HydrophobicContact CD2-CB 3.81Å; L38-E44 HydrophobicContact CD2-CG 4.36Å; E44-L46 HydrophobicContact CG-CD2 4.3Å; E44-L46 PolarHBondContact O-N 2.86Å; E44-V60 CarbonylContact O-C 3.41Å; E44-V60 WeakPolarHBondContact O-CA 3.17Å; E44-V60 WeakPolarHBondContact O-CB 3.32Å; E44-R61 HydrophobicContact CB-CB 4.37Å; E44-R61 PolarHBondContact N-O 2.81Å; E44-R61 PolarHBondContact O-N 3.49Å; E44-R61 IonicContact OE1-NH1 3.94Å; E44-R61 IonicContact OE2-CZ 3.14Å; E44-R61 IonicContact OE2-NH1 3.11Å; E44-R61 PolarHBondContact OE2-NH1 3.18Å; E44-L63 HydrophobicContact CB-CD2 4.26Å; E44-L63 HydrophobicContact CB-CG 4.44Å
45	I	96.4	Very high	92.5	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	119	178.5	-62.2	179.2	0	0	0	110	C33 G36 D37 I39 F58 V60	C33-I45 HydrophobicContact CB-CD1 3.4Å; G36-I45 PolarHBondContact N-O 2.82Å; D37-I45 HydrophobicContact CB-CD1 4.22Å; D37-I45 PolarHBondContact O-N 3.25Å; I39-I45 HydrophobicContact CD1-CD1 3.91Å; I39-I45 HydrophobicContact CD1-CG1 4.4Å; I39-I45 HydrophobicContact CG1-CD1 4.34Å; I45-F58 HydrophobicContact CG2-CB 4.31Å; I45-F58 HydrophobicContact CG2-CD1 4.02Å; I45-F58 HydrophobicContact CG2-CG 4.34Å; I45-V60 HydrophobicContact CG1-CG1 4.23Å
46	L	96.3	Very high	92.5	Very high	31 Å²	31	57 Å²	57	16%	0.162	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-43.5	-179.8	-57.9	-176.8	0	0	0	112.3	R35 E44 E59 R61	R35-L46 WeakPolarHBondContact CD-O 3.34Å; R35-L46 VanDerWaalsContact CG-O 3.29Å; R35-L46 WeakPolarHBondContact CG-O 3.43Å; R35-L46 PolarHBondContact NE-O 3.39Å; E44-L46 HydrophobicContact CG-CD2 4.3Å; E44-L46 PolarHBondContact O-N 2.86Å; L46-E59 HydrophobicContact CB-CB 4.38Å; L46-E59 HydrophobicContact CB-CG 4.13Å; L46-E59 HydrophobicContact CD1-CG 4.15Å; L46-E59 PolarHBondContact N-O 2.85Å; L46-R61 HydrophobicContact CD1-CB 4.12Å; L46-R61 HydrophobicContact CD2-CB 4.33Å; L46-R61 HydrophobicContact CG-CB 4.34Å
47	D	95.6	Very high	92.6	Very high	94 Å²	94	57.1 Å²	57.1	50%	0.503	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	169.2	-179.4	-153.3	-6.3	0	0	0	111.5	F58 E59	D47-F58 CarbonylContact O-C 3.48Å; D47-F58 WeakPolarHBondContact O-CA 3.39Å; D47-E59 HydrophobicContact CB-CB 4.31Å; D47-E59 PolarHBondContact N-O 3.05Å; D47-E59 PolarHBondContact O-N 3.1Å
48	T	94.1	Very high	92.8	Very high	69 Å²	69	54.3 Å²	54.3	42%	0.423	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.2	170.2	-56.4	0	0	0	0	109.6	F58	T48-F58 HydrophobicContact CG2-CD1 4.39Å; T48-F58 HydrophobicContact CG2-CE1 4.33Å
49	L	92.3	Very high	92.9	Very high	81 Å²	81	52.3 Å²	52.3	42%	0.424	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-31.1	178.5	-65	174.3	0	0	0	112.2	V57 E59 A72	L49-V57 HydrophobicContact CB-CB 4.32Å; L49-V57 HydrophobicContact CB-CG1 4.13Å; L49-V57 HydrophobicContact CD1-CG1 4.14Å; L49-V57 PolarHBondContact N-O 2.9Å; L49-E59 HydrophobicContact CD1-CB 4.05Å; L49-E59 HydrophobicContact CD2-CB 3.99Å; L49-E59 HydrophobicContact CG-CB 3.89Å; L49-A72 HydrophobicContact CD1-CB 3.96Å
50	G	89.8	Confident	93.1	Very high	31 Å²	31	52.2 Å²	52.2	32%	0.32	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	160.6	178.5	0	0	0	0	0	113.8	R56 V57	G50-R56 CarbonylContact O-C 3.45Å; G50-R56 WeakPolarHBondContact O-CA 3.41Å; G50-V57 PolarHBondContact N-O 2.93Å; G50-V57 PolarHBondContact O-N 3.42Å
51	E	89.7	Confident	93.3	Very high	120 Å²	120	53.1 Å²	53.1	56%	0.561	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.7	175.8	179.7	170.9	149.2	0	0	109.6	H30 R56	H30-E51 IonicContact CE1-OE1 3.19Å; H30-E51 IonicContact NE2-OE1 3.64Å; E51-R56 HydrophobicContact CB-CG 4.12Å; E51-R56 HydrophobicContact CG-CG 3.88Å; E51-R56 IonicContact OE1-NH2 3.95Å; E51-R56 IonicContact OE2-CZ 2.79Å; E51-R56 IonicContact OE2-NE 3.46Å; E51-R56 PolarHBondContact OE2-NE 2.9Å; E51-R56 IonicContact OE2-NH2 3.92Å; E51-R56 PolarHBondContact OE2-NH2 3.11Å
52	G	85.1	Confident	93.5	Very high	36 Å²	36	47.1 Å²	47.1	37%	0.371	25%	0.252	S	S	.	.			trans	-147.7	-175.2	178.3	0	0	0	0	0	112.9	F54 G55 R77	G52-F54 PolarHBondContact O-N 2.83Å; G52-G55 PolarHBondContact N-O 2.91Å; G52-G55 PolarHBondContact O-N 3.44Å; G52-R77 PolarHBondContact O-NH2 3.42Å
53	T	84.4	Confident	93.5	Very high	86 Å²	86	48.9 Å²	48.9	53%	0.528	26%	0.263	S	S	.	.	S	Bend	trans	-61.6	-29.1	178.8	50.6	0	0	0	0	113.1	R77 Y82	T53-R77 WeakPolarHBondContact O-CD 3.33Å; T53-R77 PolarHBondContact O-NE 3.2Å; T53-Y82 VanDerWaalsContact O-CZ 3.29Å; T53-Y82 PolarHBondContact O-OH 2.85Å
54	F	86.7	Confident	93.4	Very high	90 Å²	90	54.6 Å²	54.6	40%	0.395	29%	0.294	S	S	.	.	S	Bend	trans	-86.6	-24.3	-177.3	-60.3	-81.4	0	0	0	113.6	G52 R77 Y82	G52-F54 PolarHBondContact O-N 2.83Å; F54-R77 PolarHBondContact O-N 3.43Å; F54-Y82 AromaticContact CD1-CD1 3.63Å; F54-Y82 HydrophobicContact CD1-CD1 3.63Å; F54-Y82 AromaticContact CD1-CE1 3.84Å; F54-Y82 HydrophobicContact CD1-CE1 3.84Å; F54-Y82 HydrophobicContact CE1-CD1 4.16Å; F54-Y82 HydrophobicContact CE1-CE1 4.16Å
55	G	92.3	Very high	93	Very high	9 Å²	9	58.2 Å²	58.2	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-163.5	-168.7	0	0	0	0	0	113.9	G52 V75	G52-G55 PolarHBondContact N-O 2.91Å; G52-G55 PolarHBondContact O-N 3.44Å; G55-V75 WeakPolarHBondContact CA-O 3.44Å
56	R	94.7	Very high	92.5	Very high	46 Å²	46	70.6 Å²	70.6	17%	0.174	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.8	177.8	-73	177.8	175.9	140.1	8.2	110.4	D26 L31 G50 E51 F58 K74 V75	D26-R56 IonicContact OD2-NH2 2.72Å; L31-R56 PolarHBondContact O-NH1 2.83Å; G50-R56 CarbonylContact O-C 3.45Å; G50-R56 WeakPolarHBondContact O-CA 3.41Å; E51-R56 HydrophobicContact CB-CG 4.12Å; E51-R56 HydrophobicContact CG-CG 3.88Å; E51-R56 IonicContact OE1-NH2 3.95Å; E51-R56 IonicContact OE2-CZ 2.79Å; E51-R56 IonicContact OE2-NE 3.46Å; E51-R56 PolarHBondContact OE2-NE 2.9Å; E51-R56 IonicContact OE2-NH2 3.92Å; E51-R56 PolarHBondContact OE2-NH2 3.11Å; R56-F58 HydrophobicContact CB-CD2 4.46Å; R56-F58 HydrophobicContact CB-CE1 4.29Å; R56-F58 HydrophobicContact CB-CE2 3.72Å; R56-F58 HydrophobicContact CB-CZ 3.63Å; R56-F58 HydrophobicContact CG-CZ 4.27Å; R56-K74 CarbonylContact O-C 3.47Å; R56-K74 WeakPolarHBondContact O-CA 3.36Å; R56-V75 PolarHBondContact N-O 3.23Å; R56-V75 PolarHBondContact O-N 3Å
57	V	95.6	Very high	92.1	Very high	46 Å²	46	72 Å²	72	28%	0.279	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.2	171	-172.4	0	0	0	0	107.8	L49 G50 A72 L73 K74	L49-V57 HydrophobicContact CB-CB 4.32Å; L49-V57 HydrophobicContact CB-CG1 4.13Å; L49-V57 HydrophobicContact CD1-CG1 4.14Å; L49-V57 PolarHBondContact N-O 2.9Å; G50-V57 PolarHBondContact N-O 2.93Å; G50-V57 PolarHBondContact O-N 3.42Å; V57-A72 HydrophobicContact CG1-CB 4.18Å; V57-L73 CarbonylContact C-O 3.5Å; V57-L73 WeakPolarHBondContact CA-O 3.19Å; V57-K74 HydrophobicContact CG2-CB 4.25Å; V57-K74 HydrophobicContact CG2-CG 4.17Å
58	F	96.8	Very high	91.4	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.009	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.6	179	-58.8	-74.6	0	0	0	110.8	C33 I45 D47 T48 R56 V60 A72 L73 V75	C33-F58 HydrophobicContact CB-CE1 4.33Å; C33-F58 HydrophobicContact CB-CE2 4.43Å; C33-F58 HydrophobicContact CB-CZ 3.95Å; I45-F58 HydrophobicContact CG2-CB 4.31Å; I45-F58 HydrophobicContact CG2-CD1 4.02Å; I45-F58 HydrophobicContact CG2-CG 4.34Å; D47-F58 CarbonylContact O-C 3.48Å; D47-F58 WeakPolarHBondContact O-CA 3.39Å; T48-F58 HydrophobicContact CG2-CD1 4.39Å; T48-F58 HydrophobicContact CG2-CE1 4.33Å; R56-F58 HydrophobicContact CB-CD2 4.46Å; R56-F58 HydrophobicContact CB-CE1 4.29Å; R56-F58 HydrophobicContact CB-CE2 3.72Å; R56-F58 HydrophobicContact CB-CZ 3.63Å; R56-F58 HydrophobicContact CG-CZ 4.27Å; F58-V60 HydrophobicContact CB-CG1 4.01Å; F58-A72 CarbonylContact O-C 3.56Å; F58-A72 WeakPolarHBondContact O-CA 3.44Å; F58-L73 PolarHBondContact N-O 2.94Å; F58-L73 PolarHBondContact O-N 2.85Å; F58-V75 HydrophobicContact CD2-CB 4.49Å; F58-V75 HydrophobicContact CD2-CG2 3.77Å; F58-V75 HydrophobicContact CE2-CB 4.14Å; F58-V75 HydrophobicContact CE2-CG2 3.8Å
59	E	97.2	Very high	91.2	Very high	29 Å²	29	77.1 Å²	77.1	14%	0.136	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127	160.3	-178.5	170.9	-174.8	0	0	108	L46 D47 L49 S70 L71 K125	L46-E59 HydrophobicContact CB-CB 4.38Å; L46-E59 HydrophobicContact CB-CG 4.13Å; L46-E59 HydrophobicContact CD1-CG 4.15Å; L46-E59 PolarHBondContact N-O 2.85Å; D47-E59 HydrophobicContact CB-CB 4.31Å; D47-E59 PolarHBondContact N-O 3.05Å; D47-E59 PolarHBondContact O-N 3.1Å; L49-E59 HydrophobicContact CD1-CB 4.05Å; L49-E59 HydrophobicContact CD2-CB 3.99Å; L49-E59 HydrophobicContact CG-CB 3.89Å; E59-S70 WeakPolarHBondContact OE1-CB 3.49Å; E59-S70 PolarHBondContact OE1-OG 2.75Å; E59-L71 WeakPolarHBondContact CA-O 3.21Å; E59-K125 HydrophobicContact CG-CD 4.16Å; E59-K125 WeakPolarHBondContact OE1-CD 3.39Å; E59-K125 IonicContact OE1-NZ 3.33Å; E59-K125 PolarHBondContact OE1-NZ 2.97Å; E59-K125 IonicContact OE2-NZ 3.57Å; E59-K125 PolarHBondContact OE2-NZ 3.01Å
60	V	97.5	Very high	91.4	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.7	-178.8	-55.6	0	0	0	0	112.4	Y43 E44 I45 F58 S70 L71 L73	Y43-V60 HydrophobicContact CD1-CG2 3.99Å; Y43-V60 HydrophobicContact CG-CG2 4.49Å; E44-V60 CarbonylContact O-C 3.41Å; E44-V60 WeakPolarHBondContact O-CA 3.17Å; E44-V60 WeakPolarHBondContact O-CB 3.32Å; I45-V60 HydrophobicContact CG1-CG1 4.23Å; F58-V60 HydrophobicContact CB-CG1 4.01Å; V60-S70 CarbonylContact O-C 3.55Å; V60-S70 VanDerWaalsContact O-CA 3.32Å; V60-S70 WeakPolarHBondContact O-CA 3.44Å; V60-S70 WeakPolarHBondContact O-CB 3.15Å; V60-L71 HydrophobicContact CG2-CB 3.87Å; V60-L71 PolarHBondContact N-O 3.27Å; V60-L71 PolarHBondContact O-N 2.9Å; V60-L73 HydrophobicContact CG1-CB 3.7Å; V60-L73 HydrophobicContact CG1-CD2 3.93Å; V60-L73 HydrophobicContact CG1-CG 4.48Å; V60-L73 HydrophobicContact CG2-CB 3.95Å
61	R	96.6	Very high	91.7	Very high	106 Å²	106	73.3 Å²	73.3	40%	0.4	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129	165.5	-174.2	-177.6	-67.3	142.7	-6.6	109.2	Y43 E44 L46 L63	Y43-R61 WeakPolarHBondContact CA-O 3.43Å; E44-R61 HydrophobicContact CB-CB 4.37Å; E44-R61 PolarHBondContact N-O 2.81Å; E44-R61 PolarHBondContact O-N 3.49Å; E44-R61 IonicContact OE1-NH1 3.94Å; E44-R61 IonicContact OE2-CZ 3.14Å; E44-R61 IonicContact OE2-NH1 3.11Å; E44-R61 PolarHBondContact OE2-NH1 3.18Å; L46-R61 HydrophobicContact CD1-CB 4.12Å; L46-R61 HydrophobicContact CD2-CB 4.33Å; L46-R61 HydrophobicContact CG-CB 4.34Å; R61-L63 HydrophobicContact CG-CD2 4.43Å; R61-L63 PolarHBondContact O-N 2.89Å
62	D	96.2	Very high	92.1	Very high	9 Å²	9	68.2 Å²	68.2	5%	0.048	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105.7	170.2	-174.7	-20.7	0	0	0	109.1	K42 Y43 N64 R65 L71	K42-D62 VanDerWaalsContact CE-CG 3.46Å; K42-D62 WeakPolarHBondContact CE-OD1 3.18Å; K42-D62 WeakPolarHBondContact CE-OD2 3.29Å; K42-D62 IonicContact NZ-OD2 3.64Å; Y43-D62 HydrophobicContact CD1-CB 4.13Å; Y43-D62 HydrophobicContact CE1-CB 3.99Å; D62-N64 PolarHBondContact O-N 3.41Å; D62-N64 WeakPolarHBondContact OD1-CB 3.4Å; D62-N64 PolarHBondContact OD1-N 2.95Å; D62-R65 HydrophobicContact CB-CB 4.13Å; D62-R65 HydrophobicContact CB-CG 4.07Å; D62-R65 PolarHBondContact O-N 3.21Å; D62-R65 VanDerWaalsContact O-N 3.08Å; D62-R65 WeakPolarHBondContact OD2-CD 3.38Å; D62-R65 IonicContact OD2-NE 2.94Å; D62-L71 HydrophobicContact CB-CD1 3.82Å
63	L	94.4	Very high	92.7	Very high	85 Å²	85	66.5 Å²	66.5	45%	0.445	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.3	-176.4	-61.8	-178.2	0	0	0	113.2	L38 K42 E44 R61	L38-L63 HydrophobicContact CD2-CD1 3.6Å; K42-L63 WeakPolarHBondContact O-CB 3.47Å; K42-L63 WeakPolarHBondContact O-CG 3.12Å; K42-L63 PolarHBondContact O-N 3.15Å; E44-L63 HydrophobicContact CB-CD2 4.26Å; E44-L63 HydrophobicContact CB-CG 4.44Å; R61-L63 HydrophobicContact CG-CD2 4.43Å; R61-L63 PolarHBondContact O-N 2.89Å
64	N	92.6	Very high	93.3	Very high	125 Å²	125	63.9 Å²	63.9	67%	0.668	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.8	177.4	-67	-20.9	0	0	0	112.5	D62	D62-N64 PolarHBondContact O-N 3.41Å; D62-N64 WeakPolarHBondContact OD1-CB 3.4Å; D62-N64 PolarHBondContact OD1-N 2.95Å
65	R	89.4	Confident	93.8	Very high	126 Å²	126	59.8 Å²	59.8	48%	0.475	29%	0.294	S	S	.	.			trans	-92.1	133.1	177.6	-75.3	-177.4	166.5	-162.5	-3.2	110.3	D62 S67	D62-R65 HydrophobicContact CB-CB 4.13Å; D62-R65 HydrophobicContact CB-CG 4.07Å; D62-R65 PolarHBondContact O-N 3.21Å; D62-R65 VanDerWaalsContact O-N 3.08Å; D62-R65 WeakPolarHBondContact OD2-CD 3.38Å; D62-R65 IonicContact OD2-NE 2.94Å; R65-S67 PolarHBondContact O-N 2.8Å
66	R	85.4	Confident	93.9	Very high	262 Å²	262	59.5 Å²	59.5	99%	0.989	29%	0.291	S	S	*	.	S	Bend	trans	-65.4	-18.2	170.3	-68.2	-174.9	178.4	179.9	-0.4	113.4
67	S	87.3	Confident	93.9	Very high	61 Å²	61	58.9 Å²	58.9	43%	0.427	29%	0.289	S	S	.	.			trans	-73.9	131.5	-178.3	-169	0	0	0	0	110.6	R65 K69	R65-S67 PolarHBondContact O-N 2.8Å; S67-K69 PolarHBondContact O-N 2.83Å; S67-K69 PolarHBondContact OG-N 3.44Å
68	A	80.5	Confident	93.8	Very high	100 Å²	100	59.1 Å²	59.1	83%	0.826	29%	0.288	S	S	*	.			trans	-73	-3.8	171.7	0	0	0	0	0	113.5	S70	A68-S70 PolarHBondContact O-N 2.81Å
69	K	91.7	Very high	93.6	Very high	169 Å²	169	62.7 Å²	62.7	74%	0.735	30%	0.304	S	S	*	.			trans	-70.8	125.1	179.7	-67.9	-173	177.3	-174.4	0	110.1	S67	S67-K69 PolarHBondContact O-N 2.83Å; S67-K69 PolarHBondContact OG-N 3.44Å
70	S	95.2	Very high	93.4	Very high	24 Å²	24	70.7 Å²	70.7	17%	0.168	33%	0.332	C	S	.	.			trans	-70.2	161.9	171	48.4	0	0	0	0	111.8	E59 V60 A68 K125	E59-S70 WeakPolarHBondContact OE1-CB 3.49Å; E59-S70 PolarHBondContact OE1-OG 2.75Å; V60-S70 CarbonylContact O-C 3.55Å; V60-S70 VanDerWaalsContact O-CA 3.32Å; V60-S70 WeakPolarHBondContact O-CA 3.44Å; V60-S70 WeakPolarHBondContact O-CB 3.15Å; A68-S70 PolarHBondContact O-N 2.81Å; S70-K125 VanDerWaalsContact O-CB 3.27Å; S70-K125 WeakPolarHBondContact O-CB 3.43Å; S70-K125 WeakPolarHBondContact OG-CD 3.34Å
71	L	97.1	Very high	93.1	Very high	9 Å²	9	75.4 Å²	75.4	5%	0.047	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	162.5	-180	-57.3	176.9	0	0	0	109.2	Y43 E59 V60 D62 L110 V122 F123	Y43-L71 HydrophobicContact CE1-CD1 4.22Å; E59-L71 WeakPolarHBondContact CA-O 3.21Å; V60-L71 HydrophobicContact CG2-CB 3.87Å; V60-L71 PolarHBondContact N-O 3.27Å; V60-L71 PolarHBondContact O-N 2.9Å; D62-L71 HydrophobicContact CB-CD1 3.82Å; L71-L110 HydrophobicContact CD2-CD1 3.79Å; L71-V122 HydrophobicContact CB-CG1 4.22Å; L71-V122 HydrophobicContact CD1-CG1 3.78Å; L71-F123 WeakPolarHBondContact CA-O 3.04Å; L71-F123 WeakPolarHBondContact CB-O 3.37Å
72	A	97.4	Very high	93	Very high	13 Å²	13	72.4 Å²	72.4	11%	0.107	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128	168.5	0	0	0	0	0	109.4	L49 V57 F58 V122 F123	L49-A72 HydrophobicContact CD1-CB 3.96Å; V57-A72 HydrophobicContact CG1-CB 4.18Å; F58-A72 CarbonylContact O-C 3.56Å; F58-A72 WeakPolarHBondContact O-CA 3.44Å; A72-V122 WeakPolarHBondContact O-CA 3.37Å; A72-F123 HydrophobicContact CB-CB 4.4Å; A72-F123 PolarHBondContact N-O 2.66Å; A72-F123 PolarHBondContact O-N 3Å
73	L	97.6	Very high	92.9	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.5	177.4	179.6	70	0	0	0	109.6	I39 V57 F58 V60 V75 F113 C120 L121 V122	I39-L73 HydrophobicContact CD1-CD2 3.44Å; I39-L73 VanDerWaalsContact CD1-CD2 3.44Å; V57-L73 CarbonylContact C-O 3.5Å; V57-L73 WeakPolarHBondContact CA-O 3.19Å; F58-L73 PolarHBondContact N-O 2.94Å; F58-L73 PolarHBondContact O-N 2.85Å; V60-L73 HydrophobicContact CG1-CB 3.7Å; V60-L73 HydrophobicContact CG1-CD2 3.93Å; V60-L73 HydrophobicContact CG1-CG 4.48Å; V60-L73 HydrophobicContact CG2-CB 3.95Å; L73-V75 HydrophobicContact CD2-CG2 3.95Å; L73-V75 HydrophobicContact CG-CG2 3.87Å; L73-F113 HydrophobicContact CD1-CE1 4.1Å; L73-F113 HydrophobicContact CD1-CZ 3.84Å; L73-C120 HydrophobicContact CD1-CB 4.1Å; L73-L121 WeakPolarHBondContact CA-O 3.25Å; L73-V122 HydrophobicContact CD1-CG2 3.76Å
74	K	96.8	Very high	92.9	Very high	30 Å²	30	76.7 Å²	76.7	13%	0.13	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.6	172.9	-174.6	-176	-170	-173.5	0	108.5	R56 V57 I76 E89 C120 L121 F123 D201	R56-K74 CarbonylContact O-C 3.47Å; R56-K74 WeakPolarHBondContact O-CA 3.36Å; V57-K74 HydrophobicContact CG2-CB 4.25Å; V57-K74 HydrophobicContact CG2-CG 4.17Å; K74-I76 HydrophobicContact CD-CD1 4.11Å; K74-I76 HydrophobicContact CG-CD1 4.04Å; K74-E89 IonicContact NZ-OE1 2.95Å; K74-E89 PolarHBondContact NZ-OE1 3.38Å; K74-E89 IonicContact NZ-OE2 3.1Å; K74-E89 PolarHBondContact NZ-OE2 2.86Å; K74-C120 CarbonylContact O-C 3.53Å; K74-C120 VanDerWaalsContact O-CA 3.32Å; K74-C120 WeakPolarHBondContact O-CA 3.18Å; K74-L121 HydrophobicContact CB-CB 4.3Å; K74-L121 PolarHBondContact N-O 2.85Å; K74-L121 PolarHBondContact O-N 2.77Å; K74-F123 HydrophobicContact CB-CE2 4.19Å; K74-D201 IonicContact NZ-OD1 3.05Å
75	V	96.7	Very high	93	Very high	4 Å²	4	72.6 Å²	72.6	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.1	178.5	-177.3	0	0	0	0	108.9	L31 G55 R56 F58 L73 H118	L31-V75 HydrophobicContact CB-CG1 3.84Å; L31-V75 HydrophobicContact CD2-CG1 3.83Å; L31-V75 HydrophobicContact CG-CG1 4.49Å; G55-V75 WeakPolarHBondContact CA-O 3.44Å; R56-V75 PolarHBondContact N-O 3.23Å; R56-V75 PolarHBondContact O-N 3Å; F58-V75 HydrophobicContact CD2-CB 4.49Å; F58-V75 HydrophobicContact CD2-CG2 3.77Å; F58-V75 HydrophobicContact CE2-CB 4.14Å; F58-V75 HydrophobicContact CE2-CG2 3.8Å; L73-V75 HydrophobicContact CD2-CG2 3.95Å; L73-V75 HydrophobicContact CG-CG2 3.87Å; V75-H118 HydrophobicContact CG1-CB 3.82Å
76	I	96.3	Very high	93.3	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	142.4	-178.2	-55.6	-63.4	0	0	0	110	K74 A86 H118 V119 L121	K74-I76 HydrophobicContact CD-CD1 4.11Å; K74-I76 HydrophobicContact CG-CD1 4.04Å; I76-A86 HydrophobicContact CB-CB 4.4Å; I76-A86 HydrophobicContact CD1-CB 4.23Å; I76-A86 HydrophobicContact CG1-CB 3.74Å; I76-A86 HydrophobicContact CG2-CB 4.12Å; I76-H118 WeakPolarHBondContact O-CB 3.37Å; I76-H118 PolarHBondContact O-ND1 3.34Å; I76-V119 HydrophobicContact CB-CB 4.13Å; I76-V119 VanDerWaalsContact CB-O 3.25Å; I76-V119 WeakPolarHBondContact CB-O 3.32Å; I76-V119 HydrophobicContact CG1-CB 4.16Å; I76-V119 WeakPolarHBondContact CG1-O 3.33Å; I76-V119 PolarHBondContact N-O 3.02Å; I76-L121 HydrophobicContact CD1-CD1 4.41Å; I76-L121 HydrophobicContact CG1-CD1 3.95Å
77	R	94.7	Very high	93.8	Very high	33 Å²	33	58.5 Å²	58.5	13%	0.125	29%	0.29	C	S	.	.			trans	-58.8	140.5	174.6	-69.9	179.8	-170	-162.2	10.3	110.7	G29 H30 G52 T53 F54 K79 Y82	G29-R77 CarbonylContact O-C 3.55Å; G29-R77 WeakPolarHBondContact O-CA 3.2Å; G29-R77 WeakPolarHBondContact O-CB 3.49Å; H30-R77 PolarHBondContact CD2-NE 3.35Å; H30-R77 PolarHBondContact CE1-NE 3.04Å; H30-R77 PolarHBondContact CE1-NH2 2.99Å; H30-R77 PolarHBondContact NE2-NE 3.44Å; H30-R77 PolarHBondContact NE2-NH2 3.27Å; G52-R77 PolarHBondContact O-NH2 3.42Å; T53-R77 WeakPolarHBondContact O-CD 3.33Å; T53-R77 PolarHBondContact O-NE 3.2Å; F54-R77 PolarHBondContact O-N 3.43Å; R77-K79 PolarHBondContact O-N 2.91Å; R77-Y82 HydrophobicContact CB-CD2 3.78Å; R77-Y82 HydrophobicContact CB-CE2 4.35Å
78	N	93.1	Very high	94.2	Very high	51 Å²	51	58 Å²	58	27%	0.273	29%	0.29	S	S	.	.	S	Bend	trans	-78.4	64.5	177.3	-167.8	2.5	0	0	0	110.9	G29 R83 Y116 G117 H118	G29-N78 PolarHBondContact O-N 2.89Å; N78-R83 PolarHBondContact OD1-NH1 3.22Å; N78-Y116 PolarHBondContact ND2-O 2.81Å; N78-Y116 VanDerWaalsContact ND2-O 3.13Å; N78-G117 VanDerWaalsContact CG-O 3.24Å; N78-G117 PolarHBondContact OD1-O 2.88Å; N78-G117 VanDerWaalsContact OD1-O 3.04Å; N78-H118 PolarHBondContact N-ND1 2.86Å
79	K	92.5	Very high	95	Very high	76 Å²	76	53.7 Å²	53.7	33%	0.33	25%	0.252	S	S	.	.			trans	-126.9	137.3	168.7	-60.3	-173.2	172.3	172.1	0	108.7	D28 R77 H81 Y82 R83	D28-K79 WeakPolarHBondContact O-CE 3.45Å; D28-K79 PolarHBondContact O-NZ 3Å; R77-K79 PolarHBondContact O-N 2.91Å; K79-H81 VanDerWaalsContact C-N 3.33Å; K79-H81 PolarHBondContact O-N 3.17Å; K79-Y82 HydrophobicContact CB-CD2 3.8Å; K79-Y82 HydrophobicContact CB-CE2 4.42Å; K79-Y82 HydrophobicContact CD-CD2 4.2Å; K79-Y82 HydrophobicContact CD-CE2 4.01Å; K79-Y82 HydrophobicContact CG-CD2 4.27Å; K79-Y82 PolarHBondContact O-N 3.36Å; K79-R83 WeakPolarHBondContact O-CG 3.47Å; K79-R83 PolarHBondContact O-N 3.08Å
80	R	92.5	Very high	95.3	Very high	197 Å²	197	45.8 Å²	45.8	74%	0.743	22%	0.218	S	C	*	.	H	α-helix	trans	-48.8	-49.8	-171.8	-178.7	177.4	171.4	177	0.4	113.5	Y82 R83 E84	R80-Y82 PolarHBondContact O-N 3.01Å; R80-R83 PolarHBondContact O-N 3.03Å; R80-E84 HydrophobicContact CG-CG 4.47Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 IonicContact CZ-OE1 3.38Å; R80-E84 IonicContact NE-OE1 2.81Å; R80-E84 PolarHBondContact NE-OE1 2.78Å; R80-E84 IonicContact NH2-OE1 3.11Å; R80-E84 PolarHBondContact NH2-OE1 3.01Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 2.81Å
81	H	92.1	Very high	95.4	Very high	100 Å²	100	48.6 Å²	48.6	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-36.1	-177.9	68.1	-68.4	0	0	0	113.1	K79 S85	K79-H81 VanDerWaalsContact C-N 3.33Å; K79-H81 PolarHBondContact O-N 3.17Å; H81-S85 WeakPolarHBondContact O-CB 3.45Å; H81-S85 PolarHBondContact O-N 3.19Å
82	Y	93.3	Very high	95.5	Very high	42 Å²	42	48.7 Å²	48.7	17%	0.165	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-36.6	175.4	-65.9	-46.5	0	0	0	111.8	T53 F54 R77 K79 R80 S85 A86	T53-Y82 VanDerWaalsContact O-CZ 3.29Å; T53-Y82 PolarHBondContact O-OH 2.85Å; F54-Y82 AromaticContact CD1-CD1 3.63Å; F54-Y82 HydrophobicContact CD1-CD1 3.63Å; F54-Y82 AromaticContact CD1-CE1 3.84Å; F54-Y82 HydrophobicContact CD1-CE1 3.84Å; F54-Y82 HydrophobicContact CE1-CD1 4.16Å; F54-Y82 HydrophobicContact CE1-CE1 4.16Å; R77-Y82 HydrophobicContact CB-CD2 3.78Å; R77-Y82 HydrophobicContact CB-CE2 4.35Å; K79-Y82 HydrophobicContact CB-CD2 3.8Å; K79-Y82 HydrophobicContact CB-CE2 4.42Å; K79-Y82 HydrophobicContact CD-CD2 4.2Å; K79-Y82 HydrophobicContact CD-CE2 4.01Å; K79-Y82 HydrophobicContact CG-CD2 4.27Å; K79-Y82 PolarHBondContact O-N 3.36Å; R80-Y82 PolarHBondContact O-N 3.01Å; Y82-S85 PolarHBondContact O-N 2.88Å; Y82-A86 WeakPolarHBondContact O-CB 3.21Å; Y82-A86 PolarHBondContact O-N 2.77Å
83	R	94.9	Very high	95.5	Very high	79 Å²	79	48.2 Å²	48.2	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-67	-44	175.6	-64.8	176.8	60.7	146.5	8.3	112.2	N78 K79 R80 S85 A86 Q87 D114 G117 V119	N78-R83 PolarHBondContact OD1-NH1 3.22Å; K79-R83 WeakPolarHBondContact O-CG 3.47Å; K79-R83 PolarHBondContact O-N 3.08Å; R80-R83 PolarHBondContact O-N 3.03Å; R83-S85 VanDerWaalsContact C-N 3.34Å; R83-A86 PolarHBondContact O-N 2.82Å; R83-Q87 PolarHBondContact O-N 3.47Å; R83-D114 IonicContact CZ-OD2 3.46Å; R83-D114 IonicContact NH1-OD2 3.93Å; R83-D114 IonicContact NH2-OD2 3.92Å; R83-D114 PolarHBondContact NH2-OD2 2.89Å; R83-G117 WeakPolarHBondContact CD-O 3.2Å; R83-G117 PolarHBondContact NE-O 3.4Å; R83-G117 VanDerWaalsContact NH1-C 3.28Å; R83-G117 PolarHBondContact NH1-O 3.07Å; R83-V119 HydrophobicContact CB-CG2 4.15Å; R83-V119 HydrophobicContact CG-CG2 4.11Å
84	E	94.1	Very high	95.5	Very high	106 Å²	106	50.9 Å²	50.9	50%	0.495	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-43.8	174.9	-72.5	171.5	-177.4	0	0	110.9	R80 A86 Q87 A88	R80-E84 HydrophobicContact CG-CG 4.47Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 IonicContact CZ-OE1 3.38Å; R80-E84 IonicContact NE-OE1 2.81Å; R80-E84 PolarHBondContact NE-OE1 2.78Å; R80-E84 IonicContact NH2-OE1 3.11Å; R80-E84 PolarHBondContact NH2-OE1 3.01Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 2.81Å; E84-A86 PolarHBondContact O-N 3.41Å; E84-Q87 PolarHBondContact O-N 3.05Å; E84-A88 PolarHBondContact O-N 2.81Å; E84-A88 VanDerWaalsContact O-N 3.16Å
85	S	93.5	Very high	95.5	Very high	38 Å²	38	53.2 Å²	53.2	27%	0.266	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-40.3	174.2	-170.1	0	0	0	0	112.6	H81 Y82 R83 A88 E89 G203	H81-S85 WeakPolarHBondContact O-CB 3.45Å; H81-S85 PolarHBondContact O-N 3.19Å; Y82-S85 PolarHBondContact O-N 2.88Å; R83-S85 VanDerWaalsContact C-N 3.34Å; S85-A88 PolarHBondContact O-N 3.45Å; S85-E89 PolarHBondContact O-N 2.81Å; S85-G203 PolarHBondContact OG-O 3.23Å
86	A	96.1	Very high	95.5	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-35.8	177.8	0	0	0	0	0	112.5	I76 Y82 R83 E84 E89 I90 V119	I76-A86 HydrophobicContact CB-CB 4.4Å; I76-A86 HydrophobicContact CD1-CB 4.23Å; I76-A86 HydrophobicContact CG1-CB 3.74Å; I76-A86 HydrophobicContact CG2-CB 4.12Å; Y82-A86 WeakPolarHBondContact O-CB 3.21Å; Y82-A86 PolarHBondContact O-N 2.77Å; R83-A86 PolarHBondContact O-N 2.82Å; E84-A86 PolarHBondContact O-N 3.41Å; A86-E89 WeakPolarHBondContact O-CB 3.42Å; A86-E89 PolarHBondContact O-N 3.35Å; A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.35Å; A86-I90 PolarHBondContact O-N 3.46Å; A86-V119 HydrophobicContact CB-CB 4.13Å; A86-V119 HydrophobicContact CB-CG1 3.95Å
87	Q	96.7	Very high	95.5	Very high	91 Å²	91	57.5 Å²	57.5	43%	0.425	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-42.6	174.3	-172.3	59.9	57.8	0	0	111.4	R83 E84 E89 I90 D91	R83-Q87 PolarHBondContact O-N 3.47Å; E84-Q87 PolarHBondContact O-N 3.05Å; Q87-E89 VanDerWaalsContact C-N 3.3Å; Q87-E89 PolarHBondContact O-N 3.49Å; Q87-I90 PolarHBondContact O-N 2.9Å; Q87-D91 PolarHBondContact NE2-OD1 2.95Å; Q87-D91 PolarHBondContact O-N 3.34Å
88	A	95.8	Very high	95.6	Very high	51 Å²	51	62.6 Å²	62.6	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-39.4	173.5	0	0	0	0	0	111.9	E84 S85 D91 I92	E84-A88 PolarHBondContact O-N 2.81Å; E84-A88 VanDerWaalsContact O-N 3.16Å; S85-A88 PolarHBondContact O-N 3.45Å; A88-D91 PolarHBondContact O-N 3.26Å; A88-I92 WeakPolarHBondContact O-CG1 3.41Å; A88-I92 PolarHBondContact O-N 2.92Å; A88-I92 VanDerWaalsContact O-N 3.14Å
89	E	97.1	Very high	95.8	Very high	9 Å²	9	63.8 Å²	63.8	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-45.3	173.8	-171.9	178.5	-175	0	0	111.7	K74 S85 A86 Q87 D91 I92 L93 F202	K74-E89 IonicContact NZ-OE1 2.95Å; K74-E89 PolarHBondContact NZ-OE1 3.38Å; K74-E89 IonicContact NZ-OE2 3.1Å; K74-E89 PolarHBondContact NZ-OE2 2.86Å; S85-E89 PolarHBondContact O-N 2.81Å; A86-E89 WeakPolarHBondContact O-CB 3.42Å; A86-E89 PolarHBondContact O-N 3.35Å; Q87-E89 VanDerWaalsContact C-N 3.3Å; Q87-E89 PolarHBondContact O-N 3.49Å; E89-D91 VanDerWaalsContact C-N 3.34Å; E89-D91 PolarHBondContact O-N 2.85Å; E89-I92 PolarHBondContact O-N 3.23Å; E89-L93 HydrophobicContact CG-CD1 3.95Å; E89-L93 HydrophobicContact CG-CG 4.43Å; E89-L93 WeakPolarHBondContact O-CB 3.32Å; E89-L93 WeakPolarHBondContact O-CG 3.42Å; E89-L93 PolarHBondContact O-N 2.99Å; E89-F202 HydrophobicContact CG-CB 4.18Å; E89-F202 PolarHBondContact OE1-N 3.16Å
90	I	97.9	Very high	96	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-44.3	177.4	-71.1	164.4	0	0	0	110.9	A86 Q87 I92 L93 N94 L109 D112 V119 L121	A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.35Å; A86-I90 PolarHBondContact O-N 3.46Å; Q87-I90 PolarHBondContact O-N 2.9Å; I90-I92 VanDerWaalsContact C-N 3.32Å; I90-I92 PolarHBondContact O-N 2.81Å; I90-L93 PolarHBondContact O-N 3.27Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.4Å; I90-N94 WeakPolarHBondContact O-CB 3.35Å; I90-N94 PolarHBondContact O-N 2.85Å; I90-N94 PolarHBondContact O-ND2 2.92Å; I90-L109 HydrophobicContact CG1-CD2 4.4Å; I90-L109 HydrophobicContact CG2-CD2 4.16Å; I90-D112 HydrophobicContact CD1-CB 3.97Å; I90-D112 HydrophobicContact CG1-CB 4.4Å; I90-V119 HydrophobicContact CD1-CG1 3.7Å; I90-L121 HydrophobicContact CD1-CG 4.31Å; I90-L121 HydrophobicContact CG1-CD2 3.8Å; I90-L121 HydrophobicContact CG1-CG 4.09Å
91	D	97.8	Very high	96	Very high	83 Å²	83	57 Å²	57	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-39.7	178.7	-67.7	-12	0	0	0	111.9	Q87 A88 E89 K95	Q87-D91 PolarHBondContact NE2-OD1 2.95Å; Q87-D91 PolarHBondContact O-N 3.34Å; A88-D91 PolarHBondContact O-N 3.26Å; E89-D91 VanDerWaalsContact C-N 3.34Å; E89-D91 PolarHBondContact O-N 2.85Å; D91-K95 WeakPolarHBondContact O-CG 3.4Å; D91-K95 PolarHBondContact O-N 2.75Å
92	I	97.9	Very high	96	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-49.2	174.9	-66.3	-63.5	0	0	0	110.8	A88 E89 I90 N94 K95 L96 L166 F202 T205 F207	A88-I92 WeakPolarHBondContact O-CG1 3.41Å; A88-I92 PolarHBondContact O-N 2.92Å; A88-I92 VanDerWaalsContact O-N 3.14Å; E89-I92 PolarHBondContact O-N 3.23Å; I90-I92 VanDerWaalsContact C-N 3.32Å; I90-I92 PolarHBondContact O-N 2.81Å; I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 3.36Å; I92-K95 WeakPolarHBondContact O-CB 3.43Å; I92-K95 PolarHBondContact O-N 2.82Å; I92-K95 VanDerWaalsContact O-N 3.07Å; I92-L96 HydrophobicContact CG2-CD1 3.84Å; I92-L96 HydrophobicContact CG2-CG 4.16Å; I92-L96 WeakPolarHBondContact O-CG 3.31Å; I92-L96 PolarHBondContact O-N 3.41Å; I92-L166 HydrophobicContact CD1-CD1 4.49Å; I92-L166 HydrophobicContact CD1-CD2 3.62Å; I92-L166 HydrophobicContact CG2-CD1 4.25Å; I92-F202 HydrophobicContact CG2-CB 3.93Å; I92-F202 HydrophobicContact CG2-CD1 4.33Å; I92-F202 HydrophobicContact CG2-CG 4.28Å; I92-T205 HydrophobicContact CD1-CG2 4.49Å; I92-T205 HydrophobicContact CG2-CG2 3.87Å; I92-F207 HydrophobicContact CD1-CD2 4.23Å; I92-F207 HydrophobicContact CD1-CE2 3.63Å; I92-F207 HydrophobicContact CD1-CZ 4.25Å
93	L	97.9	Very high	96	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-41.2	178.5	-78.6	168.3	0	0	0	112.1	E89 I90 K95 L96 K97 V107 L109 L121 F123 F202	E89-L93 HydrophobicContact CG-CD1 3.95Å; E89-L93 HydrophobicContact CG-CG 4.43Å; E89-L93 WeakPolarHBondContact O-CB 3.32Å; E89-L93 WeakPolarHBondContact O-CG 3.42Å; E89-L93 PolarHBondContact O-N 2.99Å; I90-L93 PolarHBondContact O-N 3.27Å; L93-K95 VanDerWaalsContact C-N 3.34Å; L93-K95 PolarHBondContact O-N 2.58Å; L93-L96 PolarHBondContact O-N 3.44Å; L93-K97 VanDerWaalsContact O-CB 3.32Å; L93-K97 WeakPolarHBondContact O-CB 3.46Å; L93-K97 PolarHBondContact O-N 3.14Å; L93-V107 HydrophobicContact CD2-CG2 4.31Å; L93-L109 HydrophobicContact CB-CB 4.18Å; L93-L109 HydrophobicContact CB-CD2 4.15Å; L93-L109 HydrophobicContact CD1-CB 4.38Å; L93-L109 HydrophobicContact CD1-CD2 4.29Å; L93-L121 HydrophobicContact CD1-CD2 3.86Å; L93-F123 HydrophobicContact CD1-CE1 3.94Å; L93-F123 HydrophobicContact CD1-CZ 3.85Å; L93-F123 HydrophobicContact CD2-CE1 4.33Å; L93-F202 HydrophobicContact CD2-CD2 3.44Å; L93-F202 VanDerWaalsContact CD2-CD2 3.44Å; L93-F202 HydrophobicContact CD2-CE2 3.77Å; L93-F202 HydrophobicContact CD2-CG 4.41Å; L93-F202 HydrophobicContact CG-CD2 4.13Å
94	N	97.4	Very high	96	Very high	56 Å²	56	56.2 Å²	56.2	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-34.3	177.3	-79.4	-36.6	0	0	0	112.9	I90 I92 Q98	I90-N94 WeakPolarHBondContact CG2-ND2 3.4Å; I90-N94 WeakPolarHBondContact O-CB 3.35Å; I90-N94 PolarHBondContact O-N 2.85Å; I90-N94 PolarHBondContact O-ND2 2.92Å; I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 3.36Å; N94-Q98 WeakPolarHBondContact O-CG 3.43Å; N94-Q98 PolarHBondContact O-N 3.27Å; N94-Q98 PolarHBondContact O-NE2 3.46Å
95	K	97.3	Very high	96.1	Very high	78 Å²	78	52.1 Å²	52.1	34%	0.339	28%	0.277	S	S	.	.	H	α-helix	trans	-70.9	-46.9	172.7	-72	176.4	-178.3	175.4	0	111.6	D91 I92 L93 K97 Q98 W99 F207	D91-K95 WeakPolarHBondContact O-CG 3.4Å; D91-K95 PolarHBondContact O-N 2.75Å; I92-K95 WeakPolarHBondContact O-CB 3.43Å; I92-K95 PolarHBondContact O-N 2.82Å; I92-K95 VanDerWaalsContact O-N 3.07Å; L93-K95 VanDerWaalsContact C-N 3.34Å; L93-K95 PolarHBondContact O-N 2.58Å; K95-K97 VanDerWaalsContact C-N 3.28Å; K95-K97 PolarHBondContact O-N 3.38Å; K95-Q98 WeakPolarHBondContact O-CB 3.48Å; K95-Q98 PolarHBondContact O-N 3.04Å; K95-W99 HydrophobicContact CB-CD2 4.34Å; K95-W99 HydrophobicContact CB-CE3 4.22Å; K95-W99 HydrophobicContact CB-CH2 3.84Å; K95-W99 HydrophobicContact CB-CZ2 3.94Å; K95-W99 HydrophobicContact CB-CZ3 3.96Å; K95-W99 HydrophobicContact CD-CH2 3.97Å; K95-W99 HydrophobicContact CD-CZ2 4.17Å; K95-W99 HydrophobicContact CG-CH2 4.35Å; K95-W99 HydrophobicContact CG-CZ2 4.27Å; K95-W99 VanDerWaalsContact O-CG 3.28Å; K95-W99 PolarHBondContact O-N 2.9Å; K95-F207 HydrophobicContact CD-CE2 4.26Å; K95-F207 HydrophobicContact CD-CZ 3.71Å
96	L	97.4	Very high	96.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-42.6	177.5	-68.5	176	0	0	0	111.3	I92 L93 Q98 W99 D100 F106 M161 L166 F202	I92-L96 HydrophobicContact CG2-CD1 3.84Å; I92-L96 HydrophobicContact CG2-CG 4.16Å; I92-L96 WeakPolarHBondContact O-CG 3.31Å; I92-L96 PolarHBondContact O-N 3.41Å; L93-L96 PolarHBondContact O-N 3.44Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 PolarHBondContact O-N 3.25Å; L96-W99 HydrophobicContact CD2-CE3 4.23Å; L96-W99 PolarHBondContact O-N 3.32Å; L96-W99 VanDerWaalsContact O-N 3.16Å; L96-D100 WeakPolarHBondContact O-CB 3.39Å; L96-D100 PolarHBondContact O-N 3.22Å; L96-F106 HydrophobicContact CB-CD2 3.93Å; L96-F106 HydrophobicContact CB-CG 4.36Å; L96-F106 HydrophobicContact CD1-CB 4.47Å; L96-F106 HydrophobicContact CD1-CD1 4.42Å; L96-F106 HydrophobicContact CD1-CD2 4.37Å; L96-F106 HydrophobicContact CD1-CG 4.14Å; L96-F106 HydrophobicContact CD2-CD2 3.96Å; L96-F106 HydrophobicContact CD2-CE2 3.76Å; L96-F106 HydrophobicContact CD2-CG 4.46Å; L96-F106 HydrophobicContact CD2-CZ 4.07Å; L96-F106 HydrophobicContact CG-CD2 4.3Å; L96-M161 HydrophobicContact CD2-CG 4.34Å; L96-L166 HydrophobicContact CD2-CD1 3.83Å; L96-L166 HydrophobicContact CG-CD1 4.44Å; L96-F202 HydrophobicContact CD1-CD1 3.54Å; L96-F202 HydrophobicContact CD1-CD2 4.17Å; L96-F202 HydrophobicContact CD1-CE1 3.36Å; L96-F202 HydrophobicContact CD1-CE2 4.01Å; L96-F202 HydrophobicContact CD1-CG 3.95Å; L96-F202 HydrophobicContact CD1-CZ 3.62Å
97	K	96.1	Very high	96.3	Very high	97 Å²	97	50.8 Å²	50.8	42%	0.422	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-31	174.8	-177.1	178.4	179.2	178.4	0	113.7	L93 K95 L109	L93-K97 VanDerWaalsContact O-CB 3.32Å; L93-K97 WeakPolarHBondContact O-CB 3.46Å; L93-K97 PolarHBondContact O-N 3.14Å; K95-K97 VanDerWaalsContact C-N 3.28Å; K95-K97 PolarHBondContact O-N 3.38Å; K97-L109 PolarHBondContact NZ-O 3.4Å
98	Q	96.5	Very high	96.2	Very high	139 Å²	139	48.4 Å²	48.4	65%	0.65	26%	0.257	S	S	*	.	H	α-helix	trans	-77.3	-32.7	175.4	-72.6	168.9	57	0	0	112	N94 K95 L96	N94-Q98 WeakPolarHBondContact O-CG 3.43Å; N94-Q98 PolarHBondContact O-N 3.27Å; N94-Q98 PolarHBondContact O-NE2 3.46Å; K95-Q98 WeakPolarHBondContact O-CB 3.48Å; K95-Q98 PolarHBondContact O-N 3.04Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 PolarHBondContact O-N 3.25Å
99	W	97.1	Very high	96.2	Very high	77 Å²	77	46.1 Å²	46.1	29%	0.292	24%	0.237	S	C	.	.	H	α-helix	trans	-87.2	-42.3	-176.6	-58.3	-29.1	0	0	0	113	K95 L96 T101 F160 H164 L166 F207	K95-W99 HydrophobicContact CB-CD2 4.34Å; K95-W99 HydrophobicContact CB-CE3 4.22Å; K95-W99 HydrophobicContact CB-CH2 3.84Å; K95-W99 HydrophobicContact CB-CZ2 3.94Å; K95-W99 HydrophobicContact CB-CZ3 3.96Å; K95-W99 HydrophobicContact CD-CH2 3.97Å; K95-W99 HydrophobicContact CD-CZ2 4.17Å; K95-W99 HydrophobicContact CG-CH2 4.35Å; K95-W99 HydrophobicContact CG-CZ2 4.27Å; K95-W99 VanDerWaalsContact O-CG 3.28Å; K95-W99 PolarHBondContact O-N 2.9Å; L96-W99 HydrophobicContact CD2-CE3 4.23Å; L96-W99 PolarHBondContact O-N 3.32Å; L96-W99 VanDerWaalsContact O-N 3.16Å; W99-T101 VanDerWaalsContact C-N 3.32Å; W99-T101 PolarHBondContact O-N 3.42Å; W99-T101 VanDerWaalsContact O-N 3.09Å; W99-F160 HydrophobicContact CB-CE1 3.69Å; W99-F160 HydrophobicContact CB-CZ 3.71Å; W99-F160 WeakPolarHBondContact O-CZ 3.43Å; W99-H164 HydrophobicContact CD2-CB 4.36Å; W99-H164 AromaticContact CD2-CD2 3.39Å; W99-H164 AromaticContact CD2-CG 3.94Å; W99-H164 AromaticContact CE2-CD2 3.71Å; W99-H164 HydrophobicContact CE3-CB 3.7Å; W99-H164 AromaticContact CE3-CD2 3.62Å; W99-H164 AromaticContact CE3-CG 3.66Å; W99-H164 AromaticContact CG-CD2 3.68Å; W99-H164 AromaticContact CG-NE2 3.78Å; W99-H164 HydrophobicContact CH2-CB 3.96Å; W99-H164 HydrophobicContact CZ3-CB 3.48Å; W99-H164 VanDerWaalsContact CZ3-CB 3.48Å; W99-H164 AromaticContact CZ3-CG 3.98Å; W99-L166 HydrophobicContact CZ3-CD1 3.79Å; W99-L166 HydrophobicContact CZ3-CG 4.32Å; W99-F207 HydrophobicContact CH2-CE1 4.31Å; W99-F207 HydrophobicContact CH2-CZ 4.3Å
100	D	96	Very high	96.1	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.048	25%	0.25	C	C	.	.			trans	-82.7	73.8	174.8	179	17	0	0	0	109.9	L96 D102 G103 T104 L105 F106	L96-D100 WeakPolarHBondContact O-CB 3.39Å; L96-D100 PolarHBondContact O-N 3.22Å; D100-D102 PolarHBondContact O-N 2.86Å; D100-G103 PolarHBondContact O-N 3.26Å; D100-G103 PolarHBondContact OD1-N 3.16Å; D100-G103 VanDerWaalsContact OD1-N 3.13Å; D100-G103 WeakPolarHBondContact OD2-CA 3.49Å; D100-T104 PolarHBondContact OD1-N 3.42Å; D100-T104 VanDerWaalsContact OD1-N 3.1Å; D100-T104 PolarHBondContact OD2-N 2.76Å; D100-T104 VanDerWaalsContact OD2-N 3.07Å; D100-L105 WeakPolarHBondContact OD2-CB 3.46Å; D100-L105 PolarHBondContact OD2-N 3.47Å; D100-F106 HydrophobicContact CB-CD2 3.75Å; D100-F106 HydrophobicContact CB-CE2 4.04Å; D100-F106 PolarHBondContact OD2-N 2.83Å
101	T	93.4	Very high	96	Very high	121 Å²	121	51.5 Å²	51.5	74%	0.742	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.1	-174.4	53.7	0	0	0	0	113.6	W99 G103	W99-T101 VanDerWaalsContact C-N 3.32Å; W99-T101 PolarHBondContact O-N 3.42Å; W99-T101 VanDerWaalsContact O-N 3.09Å; T101-G103 VanDerWaalsContact C-N 3.35Å
102	D	92.5	Very high	96	Very high	132 Å²	132	50.4 Å²	50.4	71%	0.706	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.7	178.3	-62.4	-19.5	0	0	0	111.8	D100 T104	D100-D102 PolarHBondContact O-N 2.86Å; D102-T104 VanDerWaalsContact C-N 3.28Å; D102-T104 HydrophobicContact CB-CG2 3.8Å; D102-T104 PolarHBondContact O-N 2.82Å
103	G	92.6	Very high	96	Very high	12 Å²	12	51.3 Å²	51.3	12%	0.124	26%	0.264	C	S	.	.			trans	64.5	33.2	-178	0	0	0	0	0	112.6	D100 T101 R198	D100-G103 PolarHBondContact O-N 3.26Å; D100-G103 PolarHBondContact OD1-N 3.16Å; D100-G103 VanDerWaalsContact OD1-N 3.13Å; D100-G103 WeakPolarHBondContact OD2-CA 3.49Å; T101-G103 VanDerWaalsContact C-N 3.35Å; G103-R198 PolarHBondContact O-NE 3.17Å
104	T	94.4	Very high	95.9	Very high	61 Å²	61	55 Å²	55	37%	0.374	28%	0.283	S	S	.	.			trans	-104.4	-10.5	-170.3	62.3	0	0	0	0	114.8	D100 D102 R198	D100-T104 PolarHBondContact OD1-N 3.42Å; D100-T104 VanDerWaalsContact OD1-N 3.1Å; D100-T104 PolarHBondContact OD2-N 2.76Å; D100-T104 VanDerWaalsContact OD2-N 3.07Å; D102-T104 VanDerWaalsContact C-N 3.28Å; D102-T104 HydrophobicContact CB-CG2 3.8Å; D102-T104 PolarHBondContact O-N 2.82Å; T104-R198 VanDerWaalsContact C-CD 3.48Å; T104-R198 VanDerWaalsContact C-CZ 3.42Å; T104-R198 VanDerWaalsContact C-NE 3.25Å; T104-R198 VanDerWaalsContact CA-CZ 3.44Å; T104-R198 WeakPolarHBondContact O-CD 3.27Å; T104-R198 PolarHBondContact O-NE 2.87Å; T104-R198 VanDerWaalsContact O-NE 3.08Å; T104-R198 PolarHBondContact O-NH1 3.47Å
105	L	96.6	Very high	95.8	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.099	27%	0.273	C	S	.	.	S	Bend	trans	-107.1	-41.2	-172.6	-53.5	-176.8	0	0	0	111.5	D100 F156 A157 F160 R198 L199	D100-L105 WeakPolarHBondContact OD2-CB 3.46Å; D100-L105 PolarHBondContact OD2-N 3.47Å; L105-F156 HydrophobicContact CD1-CD1 4.15Å; L105-F156 HydrophobicContact CD1-CE1 3.98Å; L105-F156 HydrophobicContact CD2-CD1 3.56Å; L105-F156 HydrophobicContact CD2-CE1 3.81Å; L105-A157 HydrophobicContact CB-CB 4.1Å; L105-A157 HydrophobicContact CD2-CB 4.49Å; L105-F160 HydrophobicContact CD1-CB 4.06Å; L105-F160 HydrophobicContact CD1-CD1 4.27Å; L105-F160 HydrophobicContact CD1-CD2 4.17Å; L105-F160 HydrophobicContact CD1-CG 3.91Å; L105-R198 WeakPolarHBondContact O-CA 3.5Å; L105-L199 PolarHBondContact O-N 3.15Å
106	F	97.9	Very high	95.6	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.013	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-120.5	162.9	-171.8	-45.5	-62.9	0	0	0	111.4	L96 D100 A157 F160 M161 L199 F202	L96-F106 HydrophobicContact CB-CD2 3.93Å; L96-F106 HydrophobicContact CB-CG 4.36Å; L96-F106 HydrophobicContact CD1-CB 4.47Å; L96-F106 HydrophobicContact CD1-CD1 4.42Å; L96-F106 HydrophobicContact CD1-CD2 4.37Å; L96-F106 HydrophobicContact CD1-CG 4.14Å; L96-F106 HydrophobicContact CD2-CD2 3.96Å; L96-F106 HydrophobicContact CD2-CE2 3.76Å; L96-F106 HydrophobicContact CD2-CG 4.46Å; L96-F106 HydrophobicContact CD2-CZ 4.07Å; L96-F106 HydrophobicContact CG-CD2 4.3Å; D100-F106 HydrophobicContact CB-CD2 3.75Å; D100-F106 HydrophobicContact CB-CE2 4.04Å; D100-F106 PolarHBondContact OD2-N 2.83Å; F106-A157 HydrophobicContact CE1-CB 4.02Å; F106-A157 HydrophobicContact CZ-CB 4.5Å; F106-A157 WeakPolarHBondContact CZ-O 3.14Å; F106-F160 AromaticContact CE2-CD1 3.69Å; F106-F160 HydrophobicContact CE2-CD1 3.69Å; F106-F160 HydrophobicContact CE2-CE1 4.02Å; F106-F160 AromaticContact CZ-CD1 3.83Å; F106-F160 HydrophobicContact CZ-CD1 3.83Å; F106-M161 HydrophobicContact CE1-CG 3.66Å; F106-M161 HydrophobicContact CE1-SD 3.83Å; F106-M161 HydrophobicContact CZ-CG 3.62Å; F106-M161 HydrophobicContact CZ-SD 4.4Å; F106-L199 HydrophobicContact CD1-CB 4.2Å; F106-L199 HydrophobicContact CE1-CD1 4.28Å; F106-F202 HydrophobicContact CB-CE2 4.36Å; F106-F202 HydrophobicContact CB-CZ 3.92Å; F106-F202 HydrophobicContact CD1-CE1 4Å; F106-F202 AromaticContact CD1-CZ 3.64Å; F106-F202 HydrophobicContact CD1-CZ 3.64Å; F106-F202 HydrophobicContact CG-CZ 4.06Å
107	V	96.6	Very high	95.3	Very high	10 Å²	10	55.6 Å²	55.6	6%	0.061	28%	0.283	C	S	.	.			trans	-72.2	138.1	171.3	-67.6	0	0	0	0	112.2	L93 L109 F123 Y126 I177 R198 L199 I200 F202	L93-V107 HydrophobicContact CD2-CG2 4.31Å; V107-L109 PolarHBondContact O-N 3.37Å; V107-F123 HydrophobicContact CB-CD1 4.17Å; V107-F123 HydrophobicContact CG2-CD1 3.99Å; V107-F123 HydrophobicContact CG2-CE1 3.94Å; V107-Y126 HydrophobicContact CB-CE2 3.88Å; V107-Y126 HydrophobicContact CG1-CD2 3.93Å; V107-Y126 HydrophobicContact CG1-CE2 3.36Å; V107-I177 HydrophobicContact CG1-CG2 4.15Å; V107-R198 HydrophobicContact CG1-CB 3.86Å; V107-L199 PolarHBondContact N-O 3.02Å; V107-L199 VanDerWaalsContact N-O 3.14Å; V107-I200 HydrophobicContact CB-CG2 4.16Å; V107-I200 HydrophobicContact CG1-CB 4.43Å; V107-I200 HydrophobicContact CG1-CG2 3.21Å; V107-I200 HydrophobicContact CG2-CB 4.43Å; V107-I200 HydrophobicContact CG2-CG2 3.94Å; V107-F202 HydrophobicContact CG2-CE2 4.21Å
108	N	93.6	Very high	95.3	Very high	40 Å²	40	51.1 Å²	51.1	21%	0.214	26%	0.264	C	S	.	.			trans	-89	111.4	-176	-71.7	-45.1	0	0	0	110.7	L110 P124 Y126	N108-L110 PolarHBondContact O-N 3.37Å; N108-L110 VanDerWaalsContact O-N 3.17Å; N108-P124 WeakPolarHBondContact O-CD 3.48Å; N108-Y126 PolarHBondContact N-OH 2.81Å
109	L	96.7	Very high	95.3	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.236	C	C	.	.			trans	-65.2	113.7	168.2	-175.5	63.5	0	0	0	109.1	I90 L93 K97 V107 N111 D112 L121 F123	I90-L109 HydrophobicContact CG1-CD2 4.4Å; I90-L109 HydrophobicContact CG2-CD2 4.16Å; L93-L109 HydrophobicContact CB-CB 4.18Å; L93-L109 HydrophobicContact CB-CD2 4.15Å; L93-L109 HydrophobicContact CD1-CB 4.38Å; L93-L109 HydrophobicContact CD1-CD2 4.29Å; K97-L109 PolarHBondContact NZ-O 3.4Å; V107-L109 PolarHBondContact O-N 3.37Å; L109-N111 WeakPolarHBondContact CD1-O 3.16Å; L109-D112 HydrophobicContact CD2-CB 4.46Å; L109-L121 HydrophobicContact CD1-CB 3.8Å; L109-L121 HydrophobicContact CD1-CD2 4.2Å; L109-L121 HydrophobicContact CD1-CG 4.22Å; L109-F123 HydrophobicContact CB-CE1 4.13Å; L109-F123 HydrophobicContact CD1-CD1 4.49Å; L109-F123 HydrophobicContact CD1-CE1 3.89Å; L109-F123 HydrophobicContact CD1-CZ 3.9Å
110	L	95.5	Very high	95.3	Very high	59 Å²	59	41.4 Å²	41.4	31%	0.309	22%	0.223	S	C	.	.			trans	-84.9	-40.8	-179.5	-60	-178.2	0	0	0	111.6	L71 N108 V122 P124	L71-L110 HydrophobicContact CD2-CD1 3.79Å; N108-L110 PolarHBondContact O-N 3.37Å; N108-L110 VanDerWaalsContact O-N 3.17Å; L110-V122 HydrophobicContact CB-CB 4.48Å; L110-V122 HydrophobicContact CB-CG1 4.4Å; L110-V122 WeakPolarHBondContact CB-O 3.42Å; L110-V122 HydrophobicContact CD1-CG1 4.47Å; L110-V122 PolarHBondContact N-O 2.65Å; L110-P124 HydrophobicContact CD1-CG 4.09Å; L110-P124 HydrophobicContact CD2-CG 4.13Å; L110-P124 HydrophobicContact CG-CG 4.22Å
111	N	95.9	Very high	95.4	Very high	67 Å²	67	41 Å²	41	36%	0.358	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	154	-178.7	-165.2	36.5	0	0	0	109.2	L109 V122	L109-N111 WeakPolarHBondContact CD1-O 3.16Å; N111-V122 HydrophobicContact CB-CB 4.15Å; N111-V122 HydrophobicContact CB-CG2 4.12Å; N111-V122 WeakPolarHBondContact O-CB 3.39Å; N111-V122 PolarHBondContact O-N 3.02Å
112	D	97.2	Very high	95.6	Very high	60 Å²	60	35.3 Å²	35.3	32%	0.321	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.3	167.8	62.4	-86	0	0	0	109.7	I90 L109 C120	I90-D112 HydrophobicContact CD1-CB 3.97Å; I90-D112 HydrophobicContact CG1-CB 4.4Å; L109-D112 HydrophobicContact CD2-CB 4.46Å; D112-C120 CarbonylContact C-O 3.55Å; D112-C120 WeakPolarHBondContact CA-O 3.27Å
113	F	97.4	Very high	95.9	Very high	29 Å²	29	30 Å²	30	13%	0.127	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	159.9	179.2	55	-88.8	0	0	0	111.4	I39 L40 Y43 L73 C120 V122	I39-F113 HydrophobicContact CG2-CE2 3.69Å; I39-F113 HydrophobicContact CG2-CZ 3.91Å; L40-F113 HydrophobicContact CD1-CD1 4.4Å; L40-F113 HydrophobicContact CD1-CD2 3.46Å; L40-F113 VanDerWaalsContact CD1-CD2 3.46Å; L40-F113 HydrophobicContact CD1-CE2 3.6Å; L40-F113 HydrophobicContact CD1-CG 3.89Å; L40-F113 HydrophobicContact CD1-CZ 4.14Å; L40-F113 HydrophobicContact CG-CD2 4.38Å; L40-F113 HydrophobicContact CG-CE2 4.23Å; Y43-F113 HydrophobicContact CD2-CE1 4.13Å; Y43-F113 AromaticContact CD2-CZ 3.92Å; Y43-F113 HydrophobicContact CD2-CZ 3.92Å; Y43-F113 HydrophobicContact CE2-CD1 4.48Å; Y43-F113 AromaticContact CE2-CE1 3.56Å; Y43-F113 HydrophobicContact CE2-CE1 3.56Å; Y43-F113 AromaticContact CE2-CZ 3.83Å; Y43-F113 HydrophobicContact CE2-CZ 3.83Å; L73-F113 HydrophobicContact CD1-CE1 4.1Å; L73-F113 HydrophobicContact CD1-CZ 3.84Å; F113-C120 HydrophobicContact CD1-CB 4.19Å; F113-C120 HydrophobicContact CD2-CB 3.65Å; F113-C120 HydrophobicContact CE1-CB 3.93Å; F113-C120 HydrophobicContact CE2-CB 3.36Å; F113-C120 HydrophobicContact CG-CB 4.07Å; F113-C120 HydrophobicContact CZ-CB 3.52Å; F113-C120 PolarHBondContact N-O 2.78Å; F113-C120 WeakPolarHBondContact O-CB 3.41Å; F113-C120 PolarHBondContact O-N 2.73Å; F113-V122 HydrophobicContact CD1-CG2 4.38Å; F113-V122 HydrophobicContact CE1-CG2 3.66Å
114	D	96.1	Very high	96	Very high	80 Å²	80	31.1 Å²	31.1	43%	0.428	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.2	167	-171.4	-65.9	0	0	0	109.7	R83 G117 H118	R83-D114 IonicContact CZ-OD2 3.46Å; R83-D114 IonicContact NH1-OD2 3.93Å; R83-D114 IonicContact NH2-OD2 3.92Å; R83-D114 PolarHBondContact NH2-OD2 2.89Å; D114-G117 VanDerWaalsContact OD1-CA 3.27Å; D114-G117 WeakPolarHBondContact OD1-CA 3.43Å; D114-G117 PolarHBondContact OD1-N 3.03Å; D114-H118 WeakPolarHBondContact CA-O 3.39Å
115	Y	94.8	Very high	96	Very high	18 Å²	18	31.8 Å²	31.8	7%	0.071	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	102.2	175.1	-169.9	-116.1	0	0	0	110.6	I23 L31 L38 I39 L40 G117 H118	I23-Y115 HydrophobicContact CD1-CE1 3.56Å; I23-Y115 VanDerWaalsContact CD1-CZ 3.48Å; I23-Y115 WeakPolarHBondContact CD1-OH 3.37Å; L31-Y115 HydrophobicContact CD1-CD1 4.31Å; L31-Y115 HydrophobicContact CD1-CE1 4.47Å; L31-Y115 HydrophobicContact CD2-CD1 3.81Å; L31-Y115 HydrophobicContact CD2-CE1 4.07Å; L38-Y115 PolarHBondContact O-OH 3.18Å; I39-Y115 HydrophobicContact CB-CE1 4.36Å; I39-Y115 HydrophobicContact CG1-CD1 4.43Å; I39-Y115 HydrophobicContact CG1-CE1 3.95Å; I39-Y115 HydrophobicContact CG2-CD1 3.98Å; I39-Y115 HydrophobicContact CG2-CD2 3.98Å; I39-Y115 HydrophobicContact CG2-CE1 4Å; I39-Y115 HydrophobicContact CG2-CE2 4.03Å; I39-Y115 HydrophobicContact CG2-CG 3.93Å; L40-Y115 HydrophobicContact CD2-CD2 3.68Å; L40-Y115 HydrophobicContact CD2-CE2 3.84Å; L40-Y115 HydrophobicContact CG-CD2 3.84Å; L40-Y115 HydrophobicContact CG-CE2 4.02Å; Y115-G117 PolarHBondContact O-N 2.86Å; Y115-G117 VanDerWaalsContact O-N 3.15Å; Y115-H118 PolarHBondContact N-O 3.48Å; Y115-H118 WeakPolarHBondContact O-CB 3.38Å; Y115-H118 PolarHBondContact O-CD2 2.91Å; Y115-H118 PolarHBondContact O-N 3.27Å
116	Y	92.6	Very high	95.9	Very high	123 Å²	123	32.4 Å²	32.4	48%	0.482	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	37.9	-176.9	-62.4	-79.5	0	0	0	113.1	P21 I23 N78 H118	P21-Y116 HydrophobicContact CB-CD1 4.3Å; P21-Y116 HydrophobicContact CB-CE1 4.1Å; I23-Y116 HydrophobicContact CD1-CD2 4.36Å; I23-Y116 HydrophobicContact CD1-CE2 4.03Å; N78-Y116 PolarHBondContact ND2-O 2.81Å; N78-Y116 VanDerWaalsContact ND2-O 3.13Å; Y116-H118 VanDerWaalsContact C-N 3.35Å
117	G	92.3	Very high	95.7	Very high	9 Å²	9	32.7 Å²	32.7	9%	0.093	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	1.5	-178.3	0	0	0	0	0	115.6	N78 R83 D114 Y115	N78-G117 VanDerWaalsContact CG-O 3.24Å; N78-G117 PolarHBondContact OD1-O 2.88Å; N78-G117 VanDerWaalsContact OD1-O 3.04Å; R83-G117 WeakPolarHBondContact CD-O 3.2Å; R83-G117 PolarHBondContact NE-O 3.4Å; R83-G117 VanDerWaalsContact NH1-C 3.28Å; R83-G117 PolarHBondContact NH1-O 3.07Å; D114-G117 VanDerWaalsContact OD1-CA 3.27Å; D114-G117 WeakPolarHBondContact OD1-CA 3.43Å; D114-G117 PolarHBondContact OD1-N 3.03Å; Y115-G117 PolarHBondContact O-N 2.86Å; Y115-G117 VanDerWaalsContact O-N 3.15Å
118	H	95.3	Very high	95.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.7	168.7	-62.5	-93.2	0	0	0	109.3	G29 L31 V75 I76 N78 D114 Y115 Y116 C120	G29-H118 PolarHBondContact O-CE1 2.86Å; L31-H118 PolarHBondContact N-CE1 3.36Å; L31-H118 VanDerWaalsContact N-CE1 3.25Å; V75-H118 HydrophobicContact CG1-CB 3.82Å; I76-H118 WeakPolarHBondContact O-CB 3.37Å; I76-H118 PolarHBondContact O-ND1 3.34Å; N78-H118 PolarHBondContact N-ND1 2.86Å; D114-H118 WeakPolarHBondContact CA-O 3.39Å; Y115-H118 PolarHBondContact N-O 3.48Å; Y115-H118 WeakPolarHBondContact O-CB 3.38Å; Y115-H118 PolarHBondContact O-CD2 2.91Å; Y115-H118 PolarHBondContact O-N 3.27Å; Y116-H118 VanDerWaalsContact C-N 3.35Å; H118-C120 PolarHBondContact O-N 3.32Å
119	V	97.1	Very high	95.6	Very high	13 Å²	13	33.1 Å²	33.1	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.4	169.5	-178.5	0	0	0	0	107.5	I76 R83 A86 I90 L121	I76-V119 HydrophobicContact CB-CB 4.13Å; I76-V119 VanDerWaalsContact CB-O 3.25Å; I76-V119 WeakPolarHBondContact CB-O 3.32Å; I76-V119 HydrophobicContact CG1-CB 4.16Å; I76-V119 WeakPolarHBondContact CG1-O 3.33Å; I76-V119 PolarHBondContact N-O 3.02Å; R83-V119 HydrophobicContact CB-CG2 4.15Å; R83-V119 HydrophobicContact CG-CG2 4.11Å; A86-V119 HydrophobicContact CB-CB 4.13Å; A86-V119 HydrophobicContact CB-CG1 3.95Å; I90-V119 HydrophobicContact CD1-CG1 3.7Å; V119-L121 HydrophobicContact CG1-CD1 3.96Å
120	C	97.6	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.6	-175.4	-71.1	0	0	0	0	109.8	L73 K74 D112 F113 H118	L73-C120 HydrophobicContact CD1-CB 4.1Å; K74-C120 CarbonylContact O-C 3.53Å; K74-C120 VanDerWaalsContact O-CA 3.32Å; K74-C120 WeakPolarHBondContact O-CA 3.18Å; D112-C120 CarbonylContact C-O 3.55Å; D112-C120 WeakPolarHBondContact CA-O 3.27Å; F113-C120 HydrophobicContact CD1-CB 4.19Å; F113-C120 HydrophobicContact CD2-CB 3.65Å; F113-C120 HydrophobicContact CE1-CB 3.93Å; F113-C120 HydrophobicContact CE2-CB 3.36Å; F113-C120 HydrophobicContact CG-CB 4.07Å; F113-C120 HydrophobicContact CZ-CB 3.52Å; F113-C120 PolarHBondContact N-O 2.78Å; F113-C120 WeakPolarHBondContact O-CB 3.41Å; F113-C120 PolarHBondContact O-N 2.73Å; H118-C120 PolarHBondContact O-N 3.32Å
121	L	97.9	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.2	179.5	-62	80.7	0	0	0	109.6	L73 K74 I76 I90 L93 L109 V119 F123	L73-L121 WeakPolarHBondContact CA-O 3.25Å; K74-L121 HydrophobicContact CB-CB 4.3Å; K74-L121 PolarHBondContact N-O 2.85Å; K74-L121 PolarHBondContact O-N 2.77Å; I76-L121 HydrophobicContact CD1-CD1 4.41Å; I76-L121 HydrophobicContact CG1-CD1 3.95Å; I90-L121 HydrophobicContact CD1-CG 4.31Å; I90-L121 HydrophobicContact CG1-CD2 3.8Å; I90-L121 HydrophobicContact CG1-CG 4.09Å; L93-L121 HydrophobicContact CD1-CD2 3.86Å; L109-L121 HydrophobicContact CD1-CB 3.8Å; L109-L121 HydrophobicContact CD1-CD2 4.2Å; L109-L121 HydrophobicContact CD1-CG 4.22Å; V119-L121 HydrophobicContact CG1-CD1 3.96Å; L121-F123 HydrophobicContact CB-CD2 4.4Å; L121-F123 HydrophobicContact CB-CE2 3.47Å; L121-F123 VanDerWaalsContact CB-CE2 3.47Å; L121-F123 HydrophobicContact CB-CZ 3.78Å; L121-F123 HydrophobicContact CD2-CE2 4.3Å; L121-F123 HydrophobicContact CD2-CZ 3.88Å
122	V	97.6	Very high	95.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.5	-176.8	-171.5	0	0	0	0	110.3	Y43 L71 A72 L73 L110 N111 F113	Y43-V122 HydrophobicContact CE1-CG1 4.34Å; Y43-V122 HydrophobicContact CE1-CG2 4.44Å; Y43-V122 HydrophobicContact CE2-CG2 4.47Å; L71-V122 HydrophobicContact CB-CG1 4.22Å; L71-V122 HydrophobicContact CD1-CG1 3.78Å; A72-V122 WeakPolarHBondContact O-CA 3.37Å; L73-V122 HydrophobicContact CD1-CG2 3.76Å; L110-V122 HydrophobicContact CB-CB 4.48Å; L110-V122 HydrophobicContact CB-CG1 4.4Å; L110-V122 WeakPolarHBondContact CB-O 3.42Å; L110-V122 HydrophobicContact CD1-CG1 4.47Å; L110-V122 PolarHBondContact N-O 2.65Å; N111-V122 HydrophobicContact CB-CB 4.15Å; N111-V122 HydrophobicContact CB-CG2 4.12Å; N111-V122 WeakPolarHBondContact O-CB 3.39Å; N111-V122 PolarHBondContact O-N 3.02Å; F113-V122 HydrophobicContact CD1-CG2 4.38Å; F113-V122 HydrophobicContact CE1-CG2 3.66Å
123	F	97.2	Very high	95.3	Very high	20 Å²	20	29.9 Å²	29.9	9%	0.088	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.7	179.1	-56.8	-84.7	0	0	0	110.9	L71 A72 K74 L93 V107 L109 L121	L71-F123 WeakPolarHBondContact CA-O 3.04Å; L71-F123 WeakPolarHBondContact CB-O 3.37Å; A72-F123 HydrophobicContact CB-CB 4.4Å; A72-F123 PolarHBondContact N-O 2.66Å; A72-F123 PolarHBondContact O-N 3Å; K74-F123 HydrophobicContact CB-CE2 4.19Å; L93-F123 HydrophobicContact CD1-CE1 3.94Å; L93-F123 HydrophobicContact CD1-CZ 3.85Å; L93-F123 HydrophobicContact CD2-CE1 4.33Å; V107-F123 HydrophobicContact CB-CD1 4.17Å; V107-F123 HydrophobicContact CG2-CD1 3.99Å; V107-F123 HydrophobicContact CG2-CE1 3.94Å; L109-F123 HydrophobicContact CB-CE1 4.13Å; L109-F123 HydrophobicContact CD1-CD1 4.49Å; L109-F123 HydrophobicContact CD1-CE1 3.89Å; L109-F123 HydrophobicContact CD1-CZ 3.9Å; L121-F123 HydrophobicContact CB-CD2 4.4Å; L121-F123 HydrophobicContact CB-CE2 3.47Å; L121-F123 VanDerWaalsContact CB-CE2 3.47Å; L121-F123 HydrophobicContact CB-CZ 3.78Å; L121-F123 HydrophobicContact CD2-CE2 4.3Å; L121-F123 HydrophobicContact CD2-CZ 3.88Å
124	P	95.5	Very high	95.2	Very high	36 Å²	36	28.6 Å²	28.6	23%	0.234	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	143.9	161.3	-18.9	32.2	0	0	0	109.6	N108 L110 Y126	N108-P124 WeakPolarHBondContact O-CD 3.48Å; L110-P124 HydrophobicContact CD1-CG 4.09Å; L110-P124 HydrophobicContact CD2-CG 4.13Å; L110-P124 HydrophobicContact CG-CG 4.22Å; P124-Y126 HydrophobicContact CB-CE2 4.15Å; P124-Y126 HydrophobicContact CG-CE2 4.36Å; P124-Y126 WeakPolarHBondContact O-CD2 3.32Å; P124-Y126 WeakPolarHBondContact O-CE2 3.5Å; P124-Y126 PolarHBondContact O-N 3.34Å
125	K	95	Very high	95	Very high	75 Å²	75	30.6 Å²	30.6	33%	0.326	15%	0.146	S	C	.	.			trans	-71.6	123.6	167.7	-175.8	-179.3	174.5	-177.4	0	108.8	E59 S70	E59-K125 HydrophobicContact CG-CD 4.16Å; E59-K125 WeakPolarHBondContact OE1-CD 3.39Å; E59-K125 IonicContact OE1-NZ 3.33Å; E59-K125 PolarHBondContact OE1-NZ 2.97Å; E59-K125 IonicContact OE2-NZ 3.57Å; E59-K125 PolarHBondContact OE2-NZ 3.01Å; S70-K125 VanDerWaalsContact O-CB 3.27Å; S70-K125 WeakPolarHBondContact O-CB 3.43Å; S70-K125 WeakPolarHBondContact OG-CD 3.34Å
126	Y	94.3	Very high	94.8	Very high	32 Å²	32	31.1 Å²	31.1	13%	0.125	15%	0.154	C	C	.	.			trans	-101.6	-177	172.1	-64.8	-79.8	0	0	0	110	V107 N108 P124 I177 R198	V107-Y126 HydrophobicContact CB-CE2 3.88Å; V107-Y126 HydrophobicContact CG1-CD2 3.93Å; V107-Y126 HydrophobicContact CG1-CE2 3.36Å; N108-Y126 PolarHBondContact N-OH 2.81Å; P124-Y126 HydrophobicContact CB-CE2 4.15Å; P124-Y126 HydrophobicContact CG-CE2 4.36Å; P124-Y126 WeakPolarHBondContact O-CD2 3.32Å; P124-Y126 WeakPolarHBondContact O-CE2 3.5Å; P124-Y126 PolarHBondContact O-N 3.34Å; Y126-I177 HydrophobicContact CD2-CG2 4.26Å; Y126-I177 HydrophobicContact CG-CD1 4.48Å; Y126-I177 HydrophobicContact CG-CG2 4.05Å; Y126-R198 HydrophobicContact CE1-CG 3.89Å
127	G	93.6	Very high	94.7	Very high	10 Å²	10	25.6 Å²	25.6	10%	0.103	13%	0.133	C	C	.	.			trans	-80	-156	174.3	0	0	0	0	0	113	I177 F178 D181	G127-I177 WeakPolarHBondContact O-CD1 3.2Å; G127-I177 VanDerWaalsContact O-CG1 3.27Å; G127-I177 WeakPolarHBondContact O-CG1 3.29Å; G127-F178 PolarHBondContact N-O 3.07Å; G127-D181 VanDerWaalsContact CA-OD1 3.23Å; G127-D181 WeakPolarHBondContact CA-OD1 3.2Å
128	M	93.1	Very high	94.7	Very high	50 Å²	50	31.4 Å²	31.4	25%	0.246	16%	0.162	C	C	.	.			trans	-67.5	152.5	176.5	-58.2	-177.8	73	0	0	112.1	D132 A136 F178 P182	M128-D132 HydrophobicContact CB-CB 4.29Å; M128-D132 HydrophobicContact CE-CB 3.72Å; M128-D132 WeakPolarHBondContact CE-O 3.43Å; M128-A136 HydrophobicContact CE-CB 3.84Å; M128-F178 WeakPolarHBondContact O-CD2 3.36Å; M128-F178 PolarHBondContact O-N 2.8Å; M128-P182 HydrophobicContact CG-CG 4.42Å; M128-P182 HydrophobicContact SD-CG 3.7Å
129	S	95.4	Very high	94.6	Very high	8 Å²	8	35.5 Å²	35.5	6%	0.056	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-63.1	157.8	163.7	73.6	0	0	0	0	110.5	F131 D132 F133 M176	S129-F131 PolarHBondContact O-N 3.09Å; S129-D132 PolarHBondContact O-N 2.8Å; S129-D132 WeakPolarHBondContact OG-CB 3.23Å; S129-D132 PolarHBondContact OG-N 3.31Å; S129-D132 PolarHBondContact OG-OD2 2.92Å; S129-F133 PolarHBondContact O-N 3.34Å; S129-M176 CarbonylContact C-O 3.56Å; S129-M176 VanDerWaalsContact CA-O 3.26Å; S129-M176 WeakPolarHBondContact CA-O 3.27Å
130	V	96.6	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-39.6	174.9	175.6	0	0	0	0	109.8	M134 Y142 P173 M176 F178 I197 L248	V130-M134 WeakPolarHBondContact O-CG 3.01Å; V130-M134 PolarHBondContact O-N 2.72Å; V130-Y142 HydrophobicContact CG1-CE2 4.02Å; V130-Y142 PolarHBondContact O-OH 2.99Å; V130-P173 HydrophobicContact CB-CB 4.37Å; V130-P173 WeakPolarHBondContact CB-O 3.47Å; V130-P173 HydrophobicContact CG1-CB 4.26Å; V130-P173 PolarHBondContact N-O 2.85Å; V130-M176 HydrophobicContact CB-CB 4.1Å; V130-M176 HydrophobicContact CG2-CB 3.57Å; V130-M176 HydrophobicContact CG2-CE 4.32Å; V130-M176 WeakPolarHBondContact CG2-O 3.38Å; V130-M176 PolarHBondContact N-O 3.19Å; V130-F178 HydrophobicContact CB-CE2 4.3Å; V130-F178 HydrophobicContact CB-CZ 4.44Å; V130-F178 HydrophobicContact CG2-CD2 4.4Å; V130-F178 HydrophobicContact CG2-CE1 4.21Å; V130-F178 HydrophobicContact CG2-CE2 3.88Å; V130-F178 HydrophobicContact CG2-CZ 3.76Å; V130-I197 HydrophobicContact CG2-CG2 4.11Å; V130-L248 HydrophobicContact CG1-CD2 3.44Å; V130-L248 VanDerWaalsContact CG1-CD2 3.44Å
131	F	95.5	Very high	94.1	Very high	48 Å²	48	40.3 Å²	40.3	21%	0.211	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-50.4	172.9	-174.8	-99.4	0	0	0	113.3	S129 F133 M134 K135 F139 P173 E174	S129-F131 PolarHBondContact O-N 3.09Å; F131-F133 VanDerWaalsContact C-N 3.25Å; F131-F133 PolarHBondContact O-N 2.73Å; F131-M134 HydrophobicContact CD2-CE 4.15Å; F131-M134 WeakPolarHBondContact O-CB 3.47Å; F131-M134 PolarHBondContact O-N 3.26Å; F131-M134 VanDerWaalsContact O-N 3.09Å; F131-K135 HydrophobicContact CE1-CD 4.33Å; F131-K135 PolarHBondContact O-N 3.35Å; F131-F139 HydrophobicContact CE2-CE1 4.3Å; F131-F139 HydrophobicContact CZ-CE1 4.47Å; F131-P173 HydrophobicContact CB-CB 3.99Å; F131-P173 PolarHBondContact N-O 2.95Å; F131-P173 VanDerWaalsContact N-O 3.14Å; F131-E174 HydrophobicContact CB-CB 4.36Å; F131-E174 HydrophobicContact CB-CG 3.74Å; F131-E174 HydrophobicContact CD1-CG 3.98Å; F131-E174 HydrophobicContact CD2-CG 4.36Å; F131-E174 HydrophobicContact CG-CG 3.77Å
132	D	93.6	Very high	93.9	Very high	73 Å²	73	40.7 Å²	40.7	39%	0.39	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-34.2	-177.6	-68.9	-47.2	0	0	0	111.4	M128 S129 A136	M128-D132 HydrophobicContact CB-CB 4.29Å; M128-D132 HydrophobicContact CE-CB 3.72Å; M128-D132 WeakPolarHBondContact CE-O 3.43Å; S129-D132 PolarHBondContact O-N 2.8Å; S129-D132 WeakPolarHBondContact OG-CB 3.23Å; S129-D132 PolarHBondContact OG-N 3.31Å; S129-D132 PolarHBondContact OG-OD2 2.92Å; D132-A136 WeakPolarHBondContact O-CB 3.34Å; D132-A136 PolarHBondContact O-N 2.86Å
133	F	93.7	Very high	93.7	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-47.9	171.4	-179.6	-84.2	0	0	0	111.5	S129 F131 K135 A136 N137 Y142 F178 P182 R190 M192	S129-F133 PolarHBondContact O-N 3.34Å; F131-F133 VanDerWaalsContact C-N 3.25Å; F131-F133 PolarHBondContact O-N 2.73Å; F133-K135 VanDerWaalsContact C-N 3.31Å; F133-K135 PolarHBondContact O-N 3.44Å; F133-A136 PolarHBondContact O-N 3.06Å; F133-N137 HydrophobicContact CD1-CB 4.45Å; F133-N137 HydrophobicContact CE1-CB 4.2Å; F133-N137 WeakPolarHBondContact O-CB 3.19Å; F133-N137 PolarHBondContact O-N 2.85Å; F133-Y142 AromaticContact CD1-CE1 3.48Å; F133-Y142 HydrophobicContact CD1-CE1 3.48Å; F133-Y142 VanDerWaalsContact CD1-CE1 3.48Å; F133-Y142 AromaticContact CD1-CZ 3.45Å; F133-Y142 VanDerWaalsContact CD1-CZ 3.45Å; F133-Y142 WeakPolarHBondContact CD1-OH 3.38Å; F133-Y142 HydrophobicContact CE1-CD1 4.26Å; F133-Y142 AromaticContact CE1-CE1 3.45Å; F133-Y142 HydrophobicContact CE1-CE1 3.45Å; F133-Y142 VanDerWaalsContact CE1-CE1 3.45Å; F133-Y142 AromaticContact CE1-CZ 3.92Å; F133-Y142 HydrophobicContact CZ-CE1 4.49Å; F133-F178 HydrophobicContact CB-CD2 4.35Å; F133-F178 HydrophobicContact CB-CE2 3.79Å; F133-F178 HydrophobicContact CG-CE2 4.11Å; F133-P182 HydrophobicContact CD2-CB 3.84Å; F133-P182 HydrophobicContact CD2-CG 3.99Å; F133-P182 HydrophobicContact CE2-CB 3.62Å; F133-P182 HydrophobicContact CE2-CG 4.25Å; F133-R190 HydrophobicContact CE2-CB 3.98Å; F133-R190 HydrophobicContact CZ-CB 3.73Å; F133-M192 HydrophobicContact CD1-CG 4.45Å; F133-M192 HydrophobicContact CD2-CG 3.95Å; F133-M192 HydrophobicContact CD2-SD 3.41Å; F133-M192 WeakPolarHBondContact CD2-SD 3.45Å; F133-M192 HydrophobicContact CE1-CG 4.14Å; F133-M192 HydrophobicContact CE2-CG 3.65Å; F133-M192 HydrophobicContact CE2-SD 3.33Å; F133-M192 WeakPolarHBondContact CE2-SD 3.28Å; F133-M192 HydrophobicContact CG-CG 4.34Å; F133-M192 HydrophobicContact CG-SD 4.22Å; F133-M192 HydrophobicContact CZ-CG 3.72Å; F133-M192 HydrophobicContact CZ-SD 4.06Å
134	M	93.4	Very high	93.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-55.5	-48.8	176.2	-71.8	-171	-64.2	0	0	110.8	V130 F131 A136 N137 N138 F139 Y142 P173 E247 L248	V130-M134 WeakPolarHBondContact O-CG 3.01Å; V130-M134 PolarHBondContact O-N 2.72Å; F131-M134 HydrophobicContact CD2-CE 4.15Å; F131-M134 WeakPolarHBondContact O-CB 3.47Å; F131-M134 PolarHBondContact O-N 3.26Å; F131-M134 VanDerWaalsContact O-N 3.09Å; M134-A136 PolarHBondContact O-N 3.14Å; M134-N137 CarbonylContact O-C 3.6Å; M134-N137 VanDerWaalsContact O-C 3.3Å; M134-N137 WeakPolarHBondContact O-CA 3.46Å; M134-N137 PolarHBondContact O-N 3.42Å; M134-N137 VanDerWaalsContact O-N 3.08Å; M134-N138 PolarHBondContact O-N 3.19Å; M134-F139 HydrophobicContact CB-CD1 4.19Å; M134-F139 WeakPolarHBondContact O-CA 3.47Å; M134-F139 PolarHBondContact O-N 2.91Å; M134-Y142 HydrophobicContact CG-CD2 4.15Å; M134-Y142 HydrophobicContact CG-CE2 3.32Å; M134-Y142 HydrophobicContact SD-CD2 4.34Å; M134-Y142 HydrophobicContact SD-CE2 3.83Å; M134-P173 HydrophobicContact CE-CB 3.67Å; M134-P173 HydrophobicContact CE-CG 4Å; M134-E247 HydrophobicContact CE-CG 4.25Å; M134-E247 HydrophobicContact SD-CG 4.41Å; M134-L248 HydrophobicContact SD-CD2 4.1Å
135	K	93.1	Very high	93.5	Very high	121 Å²	121	47.8 Å²	47.8	53%	0.526	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-47.7	178	-175.9	179.9	179.4	-177.3	0	112	F131 F133 N137 N138 F139	F131-K135 HydrophobicContact CE1-CD 4.33Å; F131-K135 PolarHBondContact O-N 3.35Å; F133-K135 VanDerWaalsContact C-N 3.31Å; F133-K135 PolarHBondContact O-N 3.44Å; K135-N137 PolarHBondContact O-N 3.37Å; K135-N138 PolarHBondContact O-N 3.11Å; K135-F139 HydrophobicContact CB-CE1 4.27Å; K135-F139 HydrophobicContact CB-CE2 4.41Å; K135-F139 HydrophobicContact CB-CZ 3.88Å; K135-F139 HydrophobicContact CG-CE2 4.25Å; K135-F139 HydrophobicContact CG-CZ 3.99Å
136	A	90.5	Very high	93.5	Very high	30 Å²	30	45 Å²	45	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-16.5	177.8	0	0	0	0	0	113.4	M128 D132 F133 M134 R190	M128-A136 HydrophobicContact CE-CB 3.84Å; D132-A136 WeakPolarHBondContact O-CB 3.34Å; D132-A136 PolarHBondContact O-N 2.86Å; F133-A136 PolarHBondContact O-N 3.06Å; M134-A136 PolarHBondContact O-N 3.14Å; A136-R190 PolarHBondContact O-NE 3.5Å
137	N	90.7	Very high	93.6	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.037	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	20.4	172.4	-160.4	36.4	0	0	0	112.6	F133 M134 K135 F139 V140 R190	F133-N137 HydrophobicContact CD1-CB 4.45Å; F133-N137 HydrophobicContact CE1-CB 4.2Å; F133-N137 WeakPolarHBondContact O-CB 3.19Å; F133-N137 PolarHBondContact O-N 2.85Å; M134-N137 CarbonylContact O-C 3.6Å; M134-N137 VanDerWaalsContact O-C 3.3Å; M134-N137 WeakPolarHBondContact O-CA 3.46Å; M134-N137 PolarHBondContact O-N 3.42Å; M134-N137 VanDerWaalsContact O-N 3.08Å; K135-N137 PolarHBondContact O-N 3.37Å; N137-F139 PolarHBondContact O-N 3.48Å; N137-F139 VanDerWaalsContact O-N 3.13Å; N137-V140 PolarHBondContact ND2-O 3.18Å; N137-V140 WeakPolarHBondContact O-CB 3.5Å; N137-V140 VanDerWaalsContact O-CG2 3.29Å; N137-V140 WeakPolarHBondContact O-CG2 3.35Å; N137-V140 PolarHBondContact O-N 2.79Å; N137-R190 PolarHBondContact ND2-O 2.86Å; N137-R190 WeakPolarHBondContact OD1-CB 3.25Å; N137-R190 PolarHBondContact OD1-N 3Å
138	N	92.5	Very high	93.8	Very high	131 Å²	131	43.1 Å²	43.1	70%	0.701	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	33.6	-179.3	-58.6	-46.8	0	0	0	113.8	M134 K135 V140	M134-N138 PolarHBondContact O-N 3.19Å; K135-N138 PolarHBondContact O-N 3.11Å; N138-V140 PolarHBondContact O-N 3.07Å; N138-V140 VanDerWaalsContact O-N 3.11Å
139	F	92.8	Very high	94	Very high	87 Å²	87	41.4 Å²	41.4	38%	0.382	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	22.7	-177.6	-59.3	-79.6	0	0	0	114	F131 M134 K135 N137 P141 G251	F131-F139 HydrophobicContact CE2-CE1 4.3Å; F131-F139 HydrophobicContact CZ-CE1 4.47Å; M134-F139 HydrophobicContact CB-CD1 4.19Å; M134-F139 WeakPolarHBondContact O-CA 3.47Å; M134-F139 PolarHBondContact O-N 2.91Å; K135-F139 HydrophobicContact CB-CE1 4.27Å; K135-F139 HydrophobicContact CB-CE2 4.41Å; K135-F139 HydrophobicContact CB-CZ 3.88Å; K135-F139 HydrophobicContact CG-CE2 4.25Å; K135-F139 HydrophobicContact CG-CZ 3.99Å; N137-F139 PolarHBondContact O-N 3.48Å; N137-F139 VanDerWaalsContact O-N 3.13Å; F139-P141 WeakPolarHBondContact O-CD 3.25Å; F139-G251 WeakPolarHBondContact CB-O 3.27Å; F139-G251 WeakPolarHBondContact CD1-O 3.29Å; F139-G251 WeakPolarHBondContact O-CA 3.43Å
140	V	92.4	Very high	94.2	Very high	55 Å²	55	41 Å²	41	33%	0.333	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-61.8	126.6	168.4	174.2	0	0	0	0	107.9	N137 N138	N137-V140 PolarHBondContact ND2-O 3.18Å; N137-V140 WeakPolarHBondContact O-CB 3.5Å; N137-V140 VanDerWaalsContact O-CG2 3.29Å; N137-V140 WeakPolarHBondContact O-CG2 3.35Å; N137-V140 PolarHBondContact O-N 2.79Å; N138-V140 PolarHBondContact O-N 3.07Å; N138-V140 VanDerWaalsContact O-N 3.11Å
141	P	92	Very high	94.2	Very high	59 Å²	59	41 Å²	41	38%	0.383	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-57.4	151.1	-176.7	-25.5	32.9	0	0	0	113.5	F139 L249	F139-P141 WeakPolarHBondContact O-CD 3.25Å; P141-L249 WeakPolarHBondContact CB-O 3.37Å
142	Y	93.6	Very high	94.4	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.035	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68	142.9	172.6	-76.1	-79.8	0	0	0	110.9	V130 F133 M134 Q146 I150 F178 M192 L248	V130-Y142 HydrophobicContact CG1-CE2 4.02Å; V130-Y142 PolarHBondContact O-OH 2.99Å; F133-Y142 AromaticContact CD1-CE1 3.48Å; F133-Y142 HydrophobicContact CD1-CE1 3.48Å; F133-Y142 VanDerWaalsContact CD1-CE1 3.48Å; F133-Y142 AromaticContact CD1-CZ 3.45Å; F133-Y142 VanDerWaalsContact CD1-CZ 3.45Å; F133-Y142 WeakPolarHBondContact CD1-OH 3.38Å; F133-Y142 HydrophobicContact CE1-CD1 4.26Å; F133-Y142 AromaticContact CE1-CE1 3.45Å; F133-Y142 HydrophobicContact CE1-CE1 3.45Å; F133-Y142 VanDerWaalsContact CE1-CE1 3.45Å; F133-Y142 AromaticContact CE1-CZ 3.92Å; F133-Y142 HydrophobicContact CZ-CE1 4.49Å; M134-Y142 HydrophobicContact CG-CD2 4.15Å; M134-Y142 HydrophobicContact CG-CE2 3.32Å; M134-Y142 HydrophobicContact SD-CD2 4.34Å; M134-Y142 HydrophobicContact SD-CE2 3.83Å; Y142-Q146 HydrophobicContact CD1-CB 4.18Å; Y142-I150 HydrophobicContact CD1-CD1 4.37Å; Y142-I150 HydrophobicContact CE1-CD1 4.23Å; Y142-F178 HydrophobicContact CE1-CZ 4.21Å; Y142-F178 WeakPolarHBondContact OH-CE2 3.19Å; Y142-F178 WeakPolarHBondContact OH-CZ 3.16Å; Y142-M192 HydrophobicContact CE1-CG 4.46Å; Y142-L248 HydrophobicContact CD2-CB 4.1Å; Y142-L248 HydrophobicContact CD2-CD2 3.69Å; Y142-L248 HydrophobicContact CD2-CG 4.48Å; Y142-L248 HydrophobicContact CE2-CD2 3.55Å; Y142-L248 PolarHBondContact N-O 3.04Å; Y142-L248 VanDerWaalsContact N-O 3.07Å
143	P	93.2	Very high	94.6	Very high	56 Å²	56	37.7 Å²	37.7	36%	0.364	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-56.4	145	167.1	-22.9	33	0	0	0	111.1	E145 Q146 V147	P143-E145 PolarHBondContact O-N 3.45Å; P143-E145 VanDerWaalsContact O-N 3.08Å; P143-Q146 HydrophobicContact CB-CG 4.36Å; P143-Q146 HydrophobicContact CG-CG 4.41Å; P143-Q146 WeakPolarHBondContact O-CA 3.26Å; P143-Q146 WeakPolarHBondContact O-CB 3.5Å; P143-Q146 PolarHBondContact O-N 3.45Å; P143-V147 PolarHBondContact O-N 2.94Å
144	M	94.6	Very high	94.8	Very high	38 Å²	38	37.7 Å²	37.7	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-51.5	-38.8	-175.3	-176.8	60.6	74	0	0	113.8	Q146 V147 R148 L249 V321 Q322 L325 F351	M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 2.84Å; M144-V147 PolarHBondContact O-N 3.1Å; M144-R148 WeakPolarHBondContact O-CB 3.49Å; M144-R148 PolarHBondContact O-N 3.31Å; M144-L249 HydrophobicContact CE-CD1 3.62Å; M144-L249 HydrophobicContact SD-CD1 4.42Å; M144-V321 HydrophobicContact CG-CG1 3.65Å; M144-V321 HydrophobicContact SD-CG1 4.12Å; M144-Q322 HydrophobicContact CE-CB 4.09Å; M144-Q322 HydrophobicContact CE-CG 4.25Å; M144-L325 HydrophobicContact CE-CD2 3.96Å; M144-L325 HydrophobicContact SD-CD2 3.72Å; M144-F351 HydrophobicContact SD-CE2 3.67Å; M144-F351 HydrophobicContact SD-CZ 3.93Å
145	E	93.9	Very high	95.1	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	20%	0.195	S	C	.	.	H	α-helix	trans	-63.3	-36.6	177.2	-60.9	-56.7	114.5	0	0	112.6	P143 R148 H149	P143-E145 PolarHBondContact O-N 3.45Å; P143-E145 VanDerWaalsContact O-N 3.08Å; E145-R148 IonicContact OE1-CZ 2.76Å; E145-R148 VanDerWaalsContact OE1-CZ 3.28Å; E145-R148 IonicContact OE1-NH1 2.77Å; E145-R148 PolarHBondContact OE1-NH1 3.19Å; E145-R148 IonicContact OE1-NH2 3.52Å; E145-R148 PolarHBondContact OE1-NH2 3.14Å; E145-R148 IonicContact OE2-CZ 2.83Å; E145-R148 IonicContact OE2-NH1 2.81Å; E145-R148 PolarHBondContact OE2-NH1 2.8Å; E145-H149 PolarHBondContact O-N 3.4Å; E145-H149 VanDerWaalsContact O-N 3.11Å
146	Q	94.8	Very high	95.3	Very high	18 Å²	18	35.6 Å²	35.6	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-73.1	-44.1	176.3	-59.2	-162.3	-10.4	0	0	111.1	Y142 P143 M144 R148 H149 I150 M192 T195	Y142-Q146 HydrophobicContact CD1-CB 4.18Å; P143-Q146 HydrophobicContact CB-CG 4.36Å; P143-Q146 HydrophobicContact CG-CG 4.41Å; P143-Q146 WeakPolarHBondContact O-CA 3.26Å; P143-Q146 WeakPolarHBondContact O-CB 3.5Å; P143-Q146 PolarHBondContact O-N 3.45Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 2.84Å; Q146-R148 PolarHBondContact O-N 2.91Å; Q146-H149 PolarHBondContact O-N 2.81Å; Q146-I150 WeakPolarHBondContact O-CB 3.35Å; Q146-I150 WeakPolarHBondContact O-CG1 3.43Å; Q146-I150 PolarHBondContact O-N 2.93Å; Q146-M192 PolarHBondContact NE2-O 3.45Å; Q146-T195 HydrophobicContact CB-CG2 3.92Å; Q146-T195 HydrophobicContact CG-CG2 3.79Å
147	V	97.1	Very high	95.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-52.5	-47.1	172.6	178.1	0	0	0	0	109.7	P143 M144 A151 I245 L248 L325	P143-V147 PolarHBondContact O-N 2.94Å; M144-V147 PolarHBondContact O-N 3.1Å; V147-A151 WeakPolarHBondContact O-CB 3.47Å; V147-A151 PolarHBondContact O-N 3.38Å; V147-I245 HydrophobicContact CG1-CG2 4.31Å; V147-L248 HydrophobicContact CG1-CB 4.24Å; V147-L248 HydrophobicContact CG2-CB 4.1Å; V147-L325 HydrophobicContact CG1-CD2 4.11Å
148	R	97.6	Very high	96.1	Very high	2 Å²	2	34 Å²	34	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-49.1	-179.6	-168.1	-178.1	-53.4	103.1	1.5	113.1	M144 E145 Q146 Y152 V321 F351 F352 L355	M144-R148 WeakPolarHBondContact O-CB 3.49Å; M144-R148 PolarHBondContact O-N 3.31Å; E145-R148 IonicContact OE1-CZ 2.76Å; E145-R148 VanDerWaalsContact OE1-CZ 3.28Å; E145-R148 IonicContact OE1-NH1 2.77Å; E145-R148 PolarHBondContact OE1-NH1 3.19Å; E145-R148 IonicContact OE1-NH2 3.52Å; E145-R148 PolarHBondContact OE1-NH2 3.14Å; E145-R148 IonicContact OE2-CZ 2.83Å; E145-R148 IonicContact OE2-NH1 2.81Å; E145-R148 PolarHBondContact OE2-NH1 2.8Å; Q146-R148 PolarHBondContact O-N 2.91Å; R148-Y152 WeakPolarHBondContact O-CB 3.4Å; R148-Y152 PolarHBondContact O-N 2.88Å; R148-V321 VanDerWaalsContact NH2-CG1 3.29Å; R148-F351 HydrophobicContact CB-CE1 3.75Å; R148-F351 HydrophobicContact CB-CE2 4.34Å; R148-F351 HydrophobicContact CB-CZ 3.54Å; R148-F351 WeakPolarHBondContact CD-O 3.44Å; R148-F351 HydrophobicContact CG-CD1 4.01Å; R148-F351 HydrophobicContact CG-CE1 3.54Å; R148-F351 HydrophobicContact CG-CE2 4.32Å; R148-F351 HydrophobicContact CG-CZ 3.71Å; R148-F351 PolarHBondContact NE-O 3.22Å; R148-F352 HydrophobicContact CG-CD1 3.88Å; R148-F352 HydrophobicContact CG-CE1 4.35Å; R148-F352 WeakPolarHBondContact O-CE1 3.33Å; R148-L355 HydrophobicContact CB-CD2 4.23Å; R148-L355 HydrophobicContact CG-CD1 4.08Å; R148-L355 HydrophobicContact CG-CD2 3.79Å; R148-L355 HydrophobicContact CG-CG 3.73Å
149	H	97.6	Very high	96.3	Very high	14 Å²	14	28.2 Å²	28.2	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-69.2	-39.9	-177.1	-173.6	-138.2	0	0	0	112.3	E145 Q146 Y152 Q153 T195 L355	E145-H149 PolarHBondContact O-N 3.4Å; E145-H149 VanDerWaalsContact O-N 3.11Å; Q146-H149 PolarHBondContact O-N 2.81Å; H149-Y152 PolarHBondContact O-N 2.98Å; H149-Q153 PolarHBondContact CE1-NE2 2.86Å; H149-Q153 VanDerWaalsContact CE1-NE2 3.25Å; H149-Q153 PolarHBondContact ND1-NE2 3.06Å; H149-Q153 PolarHBondContact NE2-NE2 3.24Å; H149-Q153 WeakPolarHBondContact O-CG 3.47Å; H149-Q153 PolarHBondContact O-N 3.41Å; H149-Q153 PolarHBondContact O-NE2 3.33Å; H149-Q153 VanDerWaalsContact O-NE2 3.11Å; H149-T195 PolarHBondContact ND1-OG1 3.37Å; H149-L355 HydrophobicContact CB-CD2 4.15Å
150	I	97.9	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-47.7	175.4	-66.5	169.3	0	0	0	110	Y142 Q146 Y152 Q153 L154 M176 F178 T195 I197 L248	Y142-I150 HydrophobicContact CD1-CD1 4.37Å; Y142-I150 HydrophobicContact CE1-CD1 4.23Å; Q146-I150 WeakPolarHBondContact O-CB 3.35Å; Q146-I150 WeakPolarHBondContact O-CG1 3.43Å; Q146-I150 PolarHBondContact O-N 2.93Å; I150-Y152 VanDerWaalsContact C-N 3.33Å; I150-Y152 PolarHBondContact O-N 2.95Å; I150-Q153 PolarHBondContact O-N 3.23Å; I150-L154 WeakPolarHBondContact O-CB 3.44Å; I150-L154 PolarHBondContact O-N 3.28Å; I150-M176 HydrophobicContact CG2-CE 3.45Å; I150-M176 VanDerWaalsContact CG2-CE 3.45Å; I150-F178 HydrophobicContact CD1-CE1 3.92Å; I150-F178 HydrophobicContact CD1-CZ 3.92Å; I150-F178 HydrophobicContact CG1-CE1 4.27Å; I150-T195 HydrophobicContact CD1-CG2 4.33Å; I150-T195 HydrophobicContact CG1-CG2 4.41Å; I150-I197 HydrophobicContact CG2-CD1 4.21Å; I150-L248 HydrophobicContact CB-CD1 4.21Å; I150-L248 HydrophobicContact CG2-CD1 3.62Å
151	A	98.4	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-38.1	179.3	0	0	0	0	0	112.6	V147 L154 C155 I245 F352	V147-A151 WeakPolarHBondContact O-CB 3.47Å; V147-A151 PolarHBondContact O-N 3.38Å; A151-L154 PolarHBondContact O-N 3.13Å; A151-C155 WeakPolarHBondContact O-CB 3.2Å; A151-C155 PolarHBondContact O-N 3.04Å; A151-C155 PolarHBondContact O-SG 3.02Å; A151-I245 HydrophobicContact CB-CD1 3.81Å; A151-I245 HydrophobicContact CB-CG1 3.72Å; A151-F352 HydrophobicContact CB-CE1 3.83Å; A151-F352 HydrophobicContact CB-CZ 3.95Å
152	Y	98.4	Very high	97.1	Very high	22 Å²	22	21.9 Å²	21.9	9%	0.086	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-51.2	177.4	-176.2	-93.7	0	0	0	111.7	R148 H149 I150 L154 C155 F156 L347 F352 L355 R360	R148-Y152 WeakPolarHBondContact O-CB 3.4Å; R148-Y152 PolarHBondContact O-N 2.88Å; H149-Y152 PolarHBondContact O-N 2.98Å; I150-Y152 VanDerWaalsContact C-N 3.33Å; I150-Y152 PolarHBondContact O-N 2.95Å; Y152-L154 VanDerWaalsContact C-N 3.3Å; Y152-L154 PolarHBondContact O-N 2.8Å; Y152-C155 PolarHBondContact O-N 3.28Å; Y152-F156 WeakPolarHBondContact O-CB 3.39Å; Y152-F156 PolarHBondContact O-N 3.48Å; Y152-L347 HydrophobicContact CD2-CD2 3.86Å; Y152-L347 HydrophobicContact CE1-CD2 4.49Å; Y152-L347 HydrophobicContact CE2-CB 4.38Å; Y152-L347 HydrophobicContact CE2-CD2 3.55Å; Y152-L347 HydrophobicContact CG-CD2 4.49Å; Y152-F352 HydrophobicContact CD2-CB 3.72Å; Y152-F352 AromaticContact CD2-CD1 3.84Å; Y152-F352 HydrophobicContact CD2-CD1 3.84Å; Y152-F352 HydrophobicContact CD2-CD2 4.08Å; Y152-F352 HydrophobicContact CD2-CE1 4.47Å; Y152-F352 AromaticContact CD2-CG 3.64Å; Y152-F352 HydrophobicContact CD2-CG 3.64Å; Y152-F352 HydrophobicContact CE2-CB 4.17Å; Y152-F352 HydrophobicContact CE2-CG 4.45Å; Y152-F352 HydrophobicContact CG-CD1 4.33Å; Y152-L355 VanDerWaalsContact CB-CD1 3.43Å; Y152-L355 HydrophobicContact CD1-CD1 4.17Å; Y152-L355 HydrophobicContact CD2-CD1 3.92Å; Y152-L355 HydrophobicContact CG-CD1 3.56Å; Y152-R360 VanDerWaalsContact CE1-CA 3.48Å; Y152-R360 HydrophobicContact CE1-CB 4.09Å; Y152-R360 HydrophobicContact CE1-CG 4.14Å; Y152-R360 WeakPolarHBondContact CE1-OXT 3.23Å; Y152-R360 HydrophobicContact CE2-CG 4.11Å; Y152-R360 PolarHBondContact OH-OXT 2.89Å; Y152-R360 VanDerWaalsContact OH-OXT 3.05Å
153	Q	98.2	Very high	97.3	Very high	29 Å²	29	27.7 Å²	27.7	14%	0.136	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-41.1	177.9	-71.9	172.6	84.9	0	0	111.8	H149 I150 F156 A157 T195 S196 I197	H149-Q153 PolarHBondContact CE1-NE2 2.86Å; H149-Q153 VanDerWaalsContact CE1-NE2 3.25Å; H149-Q153 PolarHBondContact ND1-NE2 3.06Å; H149-Q153 PolarHBondContact NE2-NE2 3.24Å; H149-Q153 WeakPolarHBondContact O-CG 3.47Å; H149-Q153 PolarHBondContact O-N 3.41Å; H149-Q153 PolarHBondContact O-NE2 3.33Å; H149-Q153 VanDerWaalsContact O-NE2 3.11Å; I150-Q153 PolarHBondContact O-N 3.23Å; Q153-F156 PolarHBondContact O-N 3.09Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.28Å; Q153-T195 PolarHBondContact NE2-O 3.21Å; Q153-S196 VanDerWaalsContact OE1-CA 3.26Å; Q153-I197 HydrophobicContact CB-CD1 4.01Å; Q153-I197 HydrophobicContact CB-CG1 3.73Å; Q153-I197 HydrophobicContact CG-CG1 4.5Å
154	L	98.6	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-50.1	174.5	174.7	61	0	0	0	111.5	I150 A151 Y152 F156 V158 L171 M176 I197 L199 I241 I244	I150-L154 WeakPolarHBondContact O-CB 3.44Å; I150-L154 PolarHBondContact O-N 3.28Å; A151-L154 PolarHBondContact O-N 3.13Å; Y152-L154 VanDerWaalsContact C-N 3.3Å; Y152-L154 PolarHBondContact O-N 2.8Å; L154-F156 VanDerWaalsContact C-N 3.29Å; L154-F156 PolarHBondContact O-N 3.11Å; L154-V158 HydrophobicContact CD1-CG2 3.95Å; L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.37Å; L154-V158 PolarHBondContact O-N 3.25Å; L154-L171 HydrophobicContact CD1-CD2 4.27Å; L154-M176 HydrophobicContact CB-CE 4.07Å; L154-M176 HydrophobicContact CD1-CE 4.37Å; L154-M176 HydrophobicContact CD1-SD 4.33Å; L154-M176 HydrophobicContact CD2-CE 3.88Å; L154-M176 HydrophobicContact CD2-SD 4Å; L154-M176 HydrophobicContact CG-CE 4.33Å; L154-I197 HydrophobicContact CB-CD1 4.34Å; L154-L199 HydrophobicContact CD1-CD1 4.43Å; L154-L199 HydrophobicContact CD1-CD2 3.69Å; L154-I241 HydrophobicContact CD1-CG1 4.36Å; L154-I241 HydrophobicContact CD2-CB 4.34Å; L154-I241 HydrophobicContact CD2-CG1 3.92Å; L154-I241 HydrophobicContact CD2-CG2 4Å; L154-I241 HydrophobicContact CG-CD1 4.34Å; L154-I241 HydrophobicContact CG-CG1 3.95Å; L154-I241 HydrophobicContact CG-CG2 4.38Å; L154-I244 HydrophobicContact CD2-CB 4.4Å; L154-I244 HydrophobicContact CD2-CD1 4.16Å; L154-I244 HydrophobicContact CD2-CG2 3.96Å
155	C	98.6	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-39.9	177.9	-66.9	0	0	0	0	111.5	A151 Y152 S159 L343 V346 L347	A151-C155 WeakPolarHBondContact O-CB 3.2Å; A151-C155 PolarHBondContact O-N 3.04Å; A151-C155 PolarHBondContact O-SG 3.02Å; Y152-C155 PolarHBondContact O-N 3.28Å; C155-S159 WeakPolarHBondContact O-CB 3.4Å; C155-S159 PolarHBondContact O-N 2.88Å; C155-L343 HydrophobicContact CB-CD2 4.34Å; C155-V346 HydrophobicContact CB-CG1 4.08Å; C155-L347 HydrophobicContact CB-CD2 3.89Å
156	F	98	Very high	97.9	Very high	80 Å²	80	21.9 Å²	21.9	35%	0.351	11%	0.11	S	C	.	.	H	α-helix	trans	-67.1	-50.2	-179.1	-172.2	-95.1	0	0	0	111.4	L105 Y152 Q153 L154 V158 S159 F160 L347	L105-F156 HydrophobicContact CD1-CD1 4.15Å; L105-F156 HydrophobicContact CD1-CE1 3.98Å; L105-F156 HydrophobicContact CD2-CD1 3.56Å; L105-F156 HydrophobicContact CD2-CE1 3.81Å; Y152-F156 WeakPolarHBondContact O-CB 3.39Å; Y152-F156 PolarHBondContact O-N 3.48Å; Q153-F156 PolarHBondContact O-N 3.09Å; L154-F156 VanDerWaalsContact C-N 3.29Å; L154-F156 PolarHBondContact O-N 3.11Å; F156-V158 PolarHBondContact O-N 3.08Å; F156-S159 PolarHBondContact O-N 3.43Å; F156-F160 PolarHBondContact O-N 2.85Å; F156-L347 HydrophobicContact CB-CD2 3.94Å; F156-L347 HydrophobicContact CD2-CD1 3.88Å; F156-L347 HydrophobicContact CD2-CD2 4.3Å
157	A	98.4	Very high	98	Very high	3 Å²	3	21 Å²	21	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-43.7	178.3	0	0	0	0	0	112.1	L105 F106 Q153 F160 M161 L199	L105-A157 HydrophobicContact CB-CB 4.1Å; L105-A157 HydrophobicContact CD2-CB 4.49Å; F106-A157 HydrophobicContact CE1-CB 4.02Å; F106-A157 HydrophobicContact CZ-CB 4.5Å; F106-A157 WeakPolarHBondContact CZ-O 3.14Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.28Å; A157-F160 WeakPolarHBondContact O-CB 3.29Å; A157-F160 PolarHBondContact O-N 2.82Å; A157-M161 WeakPolarHBondContact O-CG 3.4Å; A157-M161 PolarHBondContact O-N 3.24Å; A157-M161 VanDerWaalsContact O-N 3.13Å; A157-L199 HydrophobicContact CB-CD1 3.73Å; A157-L199 HydrophobicContact CB-CG 4.09Å
158	V	98.7	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-74.5	-34.3	179.6	-178.2	0	0	0	0	111.7	L154 F156 F160 M161 H162 L171 L199 D237 I241 L343	L154-V158 HydrophobicContact CD1-CG2 3.95Å; L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.37Å; L154-V158 PolarHBondContact O-N 3.25Å; F156-V158 PolarHBondContact O-N 3.08Å; V158-F160 VanDerWaalsContact C-N 3.29Å; V158-F160 PolarHBondContact O-N 3.36Å; V158-M161 WeakPolarHBondContact O-CB 3.22Å; V158-M161 PolarHBondContact O-N 3.23Å; V158-H162 WeakPolarHBondContact CG1-NE2 3.44Å; V158-H162 PolarHBondContact O-CD2 2.82Å; V158-H162 VanDerWaalsContact O-CD2 3.3Å; V158-H162 VanDerWaalsContact O-CG 3.31Å; V158-H162 PolarHBondContact O-N 2.84Å; V158-L171 HydrophobicContact CG1-CD1 4.15Å; V158-L171 HydrophobicContact CG2-CD1 3.78Å; V158-L171 HydrophobicContact CG2-CD2 3.97Å; V158-L199 HydrophobicContact CG2-CD1 3.7Å; V158-D237 HydrophobicContact CG1-CB 3.92Å; V158-I241 HydrophobicContact CB-CD1 4.02Å; V158-I241 HydrophobicContact CG1-CD1 4.09Å; V158-I241 HydrophobicContact CG2-CD1 4.11Å; V158-L343 HydrophobicContact CB-CD1 3.58Å; V158-L343 HydrophobicContact CG1-CD1 3.4Å; V158-L343 VanDerWaalsContact CG1-CD1 3.4Å
159	S	98.2	Very high	98.1	Very high	10 Å²	10	21 Å²	21	7%	0.07	11%	0.106	C	C	.	.	H	α-helix	trans	-58.4	-44.6	170.9	-165.8	0	0	0	0	110.8	C155 F156 M161 H162 D163 G344	C155-S159 WeakPolarHBondContact O-CB 3.4Å; C155-S159 PolarHBondContact O-N 2.88Å; F156-S159 PolarHBondContact O-N 3.43Å; S159-M161 VanDerWaalsContact C-N 3.31Å; S159-M161 PolarHBondContact O-N 3.34Å; S159-H162 WeakPolarHBondContact O-CB 3.24Å; S159-H162 PolarHBondContact O-N 3.39Å; S159-H162 VanDerWaalsContact O-N 3.14Å; S159-D163 VanDerWaalsContact O-CG 3.32Å; S159-D163 PolarHBondContact O-N 3.4Å; S159-G344 PolarHBondContact OG-N 2.96Å
160	F	97.9	Very high	98.1	Very high	46 Å²	46	21.4 Å²	21.4	20%	0.202	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-41.2	176.8	-174.8	-86.2	0	0	0	112.1	W99 L105 F106 F156 A157 V158 D163 H164	W99-F160 HydrophobicContact CB-CE1 3.69Å; W99-F160 HydrophobicContact CB-CZ 3.71Å; W99-F160 WeakPolarHBondContact O-CZ 3.43Å; L105-F160 HydrophobicContact CD1-CB 4.06Å; L105-F160 HydrophobicContact CD1-CD1 4.27Å; L105-F160 HydrophobicContact CD1-CD2 4.17Å; L105-F160 HydrophobicContact CD1-CG 3.91Å; F106-F160 AromaticContact CE2-CD1 3.69Å; F106-F160 HydrophobicContact CE2-CD1 3.69Å; F106-F160 HydrophobicContact CE2-CE1 4.02Å; F106-F160 AromaticContact CZ-CD1 3.83Å; F106-F160 HydrophobicContact CZ-CD1 3.83Å; F156-F160 PolarHBondContact O-N 2.85Å; A157-F160 WeakPolarHBondContact O-CB 3.29Å; A157-F160 PolarHBondContact O-N 2.82Å; V158-F160 VanDerWaalsContact C-N 3.29Å; V158-F160 PolarHBondContact O-N 3.36Å; F160-D163 PolarHBondContact O-N 2.89Å; F160-H164 AromaticContact CD1-ND1 3.8Å; F160-H164 AromaticContact CE1-CE1 3.53Å; F160-H164 AromaticContact CE1-ND1 3.62Å; F160-H164 AromaticContact CE2-CE1 3.64Å; F160-H164 AromaticContact CZ-CE1 3.3Å; F160-H164 WeakPolarHBondContact CZ-CE1 3.34Å; F160-H164 AromaticContact CZ-ND1 3.88Å; F160-H164 PolarHBondContact O-N 3.11Å; F160-H164 PolarHBondContact O-ND1 3.16Å
161	M	98.3	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-45.8	173.3	-69.4	180	70.8	0	0	111.9	L96 F106 A157 V158 S159 D163 H164 G165 L166 H168 L199 F202 T205	L96-M161 HydrophobicContact CD2-CG 4.34Å; F106-M161 HydrophobicContact CE1-CG 3.66Å; F106-M161 HydrophobicContact CE1-SD 3.83Å; F106-M161 HydrophobicContact CZ-CG 3.62Å; F106-M161 HydrophobicContact CZ-SD 4.4Å; A157-M161 WeakPolarHBondContact O-CG 3.4Å; A157-M161 PolarHBondContact O-N 3.24Å; A157-M161 VanDerWaalsContact O-N 3.13Å; V158-M161 WeakPolarHBondContact O-CB 3.22Å; V158-M161 PolarHBondContact O-N 3.23Å; S159-M161 VanDerWaalsContact C-N 3.31Å; S159-M161 PolarHBondContact O-N 3.34Å; M161-D163 VanDerWaalsContact C-N 3.32Å; M161-D163 PolarHBondContact O-N 3.23Å; M161-H164 CarbonylContact O-C 3.48Å; M161-H164 PolarHBondContact O-N 3.17Å; M161-H164 VanDerWaalsContact O-N 3.09Å; M161-G165 PolarHBondContact O-N 2.99Å; M161-L166 HydrophobicContact CB-CB 4.1Å; M161-L166 HydrophobicContact CE-CB 4.12Å; M161-L166 HydrophobicContact CE-CD1 4.37Å; M161-L166 PolarHBondContact O-N 3.46Å; M161-H168 HydrophobicContact CE-CB 3.96Å; M161-H168 HydrophobicContact SD-CB 4.37Å; M161-L199 HydrophobicContact SD-CD1 4.46Å; M161-F202 HydrophobicContact CE-CD1 4Å; M161-F202 HydrophobicContact CE-CE1 3.97Å; M161-F202 HydrophobicContact SD-CE1 4.02Å; M161-T205 HydrophobicContact CE-CG2 3.6Å
162	H	98.1	Very high	98.1	Very high	22 Å²	22	23 Å²	23	10%	0.102	12%	0.116	C	C	.	.	H	α-helix	trans	-61.5	-40.6	179.8	-68.9	-175.8	0	0	0	111.5	V158 S159 H164 G165 L166 Y234 D237	V158-H162 WeakPolarHBondContact CG1-NE2 3.44Å; V158-H162 PolarHBondContact O-CD2 2.82Å; V158-H162 VanDerWaalsContact O-CD2 3.3Å; V158-H162 VanDerWaalsContact O-CG 3.31Å; V158-H162 PolarHBondContact O-N 2.84Å; S159-H162 WeakPolarHBondContact O-CB 3.24Å; S159-H162 PolarHBondContact O-N 3.39Å; S159-H162 VanDerWaalsContact O-N 3.14Å; H162-H164 PolarHBondContact O-N 2.88Å; H162-G165 PolarHBondContact O-N 3.33Å; H162-L166 PolarHBondContact CD2-O 2.85Å; H162-L166 VanDerWaalsContact CD2-O 3.26Å; H162-Y234 HydrophobicContact CB-CD1 3.88Å; H162-Y234 HydrophobicContact CB-CE1 4.33Å; H162-Y234 HydrophobicContact CB-CG 4.37Å; H162-Y234 AromaticContact CD2-CD1 3.61Å; H162-Y234 PolarHBondContact CE1-O 3.27Å; H162-Y234 VanDerWaalsContact CE1-O 3.23Å; H162-Y234 AromaticContact CG-CD1 3.65Å; H162-D237 IonicContact CD2-OD2 3.89Å; H162-D237 IonicContact CE1-OD2 3.72Å; H162-D237 IonicContact NE2-OD2 3.66Å; H162-D237 PolarHBondContact NE2-OD2 3.09Å
163	D	97.3	Very high	98.1	Very high	130 Å²	130	21.9 Å²	21.9	70%	0.695	11%	0.111	S	C	*	.	H	α-helix	trans	-63.6	-27.6	176.1	-68.6	-25	0	0	0	112.5	S159 F160 M161	S159-D163 VanDerWaalsContact O-CG 3.32Å; S159-D163 PolarHBondContact O-N 3.4Å; F160-D163 PolarHBondContact O-N 2.89Å; M161-D163 VanDerWaalsContact C-N 3.32Å; M161-D163 PolarHBondContact O-N 3.23Å
164	H	97.6	Very high	98	Very high	66 Å²	66	23.5 Å²	23.5	31%	0.306	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	11.3	173.8	-68.4	82.7	0	0	0	113.8	W99 F160 M161 H162 L166	W99-H164 HydrophobicContact CD2-CB 4.36Å; W99-H164 AromaticContact CD2-CD2 3.39Å; W99-H164 AromaticContact CD2-CG 3.94Å; W99-H164 AromaticContact CE2-CD2 3.71Å; W99-H164 HydrophobicContact CE3-CB 3.7Å; W99-H164 AromaticContact CE3-CD2 3.62Å; W99-H164 AromaticContact CE3-CG 3.66Å; W99-H164 AromaticContact CG-CD2 3.68Å; W99-H164 AromaticContact CG-NE2 3.78Å; W99-H164 HydrophobicContact CH2-CB 3.96Å; W99-H164 HydrophobicContact CZ3-CB 3.48Å; W99-H164 VanDerWaalsContact CZ3-CB 3.48Å; W99-H164 AromaticContact CZ3-CG 3.98Å; F160-H164 AromaticContact CD1-ND1 3.8Å; F160-H164 AromaticContact CE1-CE1 3.53Å; F160-H164 AromaticContact CE1-ND1 3.62Å; F160-H164 AromaticContact CE2-CE1 3.64Å; F160-H164 AromaticContact CZ-CE1 3.3Å; F160-H164 WeakPolarHBondContact CZ-CE1 3.34Å; F160-H164 AromaticContact CZ-ND1 3.88Å; F160-H164 PolarHBondContact O-N 3.11Å; F160-H164 PolarHBondContact O-ND1 3.16Å; M161-H164 CarbonylContact O-C 3.48Å; M161-H164 PolarHBondContact O-N 3.17Å; M161-H164 VanDerWaalsContact O-N 3.09Å; H162-H164 PolarHBondContact O-N 2.88Å; H164-L166 PolarHBondContact O-N 3Å
165	G	97.4	Very high	98	Very high	18 Å²	18	24 Å²	24	19%	0.186	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	16	174.8	0	0	0	0	0	115.1	M161 H162 F207 N208 Y234	M161-G165 PolarHBondContact O-N 2.99Å; H162-G165 PolarHBondContact O-N 3.33Å; G165-F207 CarbonylContact O-C 3.55Å; G165-F207 WeakPolarHBondContact O-CA 3.5Å; G165-N208 PolarHBondContact O-N 3.38Å; G165-Y234 WeakPolarHBondContact CA-OH 3.45Å
166	L	98.1	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	148.7	177.9	-65.6	179.4	0	0	0	111.9	I92 L96 W99 M161 H162 H164 T205 V206 F207 Y234	I92-L166 HydrophobicContact CD1-CD1 4.49Å; I92-L166 HydrophobicContact CD1-CD2 3.62Å; I92-L166 HydrophobicContact CG2-CD1 4.25Å; L96-L166 HydrophobicContact CD2-CD1 3.83Å; L96-L166 HydrophobicContact CG-CD1 4.44Å; W99-L166 HydrophobicContact CZ3-CD1 3.79Å; W99-L166 HydrophobicContact CZ3-CG 4.32Å; M161-L166 HydrophobicContact CB-CB 4.1Å; M161-L166 HydrophobicContact CE-CB 4.12Å; M161-L166 HydrophobicContact CE-CD1 4.37Å; M161-L166 PolarHBondContact O-N 3.46Å; H162-L166 PolarHBondContact CD2-O 2.85Å; H162-L166 VanDerWaalsContact CD2-O 3.26Å; H164-L166 PolarHBondContact O-N 3Å; L166-T205 HydrophobicContact CB-CG2 4.2Å; L166-T205 HydrophobicContact CD1-CG2 4.28Å; L166-T205 HydrophobicContact CD2-CG2 4.2Å; L166-T205 HydrophobicContact CG-CG2 4.47Å; L166-V206 WeakPolarHBondContact CA-O 3.17Å; L166-F207 HydrophobicContact CD2-CD1 3.76Å; L166-F207 HydrophobicContact CD2-CD2 4.01Å; L166-F207 HydrophobicContact CD2-CE1 3.62Å; L166-F207 HydrophobicContact CD2-CE2 3.87Å; L166-F207 HydrophobicContact CD2-CG 3.94Å; L166-F207 HydrophobicContact CD2-CZ 3.65Å; L166-F207 HydrophobicContact CG-CE1 4.34Å; L166-Y234 WeakPolarHBondContact O-CE1 3.36Å
167	V	98.2	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.3	168	-167.4	0	0	0	0	107.1	T169 T205 V206 N208 W232 Y234 D237	V167-T169 HydrophobicContact CB-CG2 4.01Å; V167-T169 HydrophobicContact CG1-CG2 3.7Å; V167-T205 WeakPolarHBondContact O-CA 3.42Å; V167-T205 WeakPolarHBondContact O-CG2 3.14Å; V167-V206 PolarHBondContact N-O 3.3Å; V167-V206 PolarHBondContact O-N 3.26Å; V167-N208 HydrophobicContact CG2-CB 3.89Å; V167-W232 HydrophobicContact CB-CZ3 4.38Å; V167-W232 HydrophobicContact CG1-CE3 4.45Å; V167-W232 HydrophobicContact CG1-CZ3 4.2Å; V167-Y234 HydrophobicContact CG2-CD1 3.7Å; V167-Y234 HydrophobicContact CG2-CE1 3.92Å; V167-D237 WeakPolarHBondContact CG1-OD2 3.42Å
168	H	98.3	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.			trans	-72.8	-43.8	-175.8	-172.4	-72.9	0	0	0	111.6	M161 D170 L171 D201 A204 D237	M161-H168 HydrophobicContact CE-CB 3.96Å; M161-H168 HydrophobicContact SD-CB 4.37Å; H168-D170 PolarHBondContact CE1-O 3.36Å; H168-D170 PolarHBondContact ND1-N 3.07Å; H168-D170 PolarHBondContact O-N 3.22Å; H168-L171 HydrophobicContact CB-CD1 4.4Å; H168-L171 HydrophobicContact CB-CD2 3.93Å; H168-L171 HydrophobicContact CB-CG 3.89Å; H168-L171 VanDerWaalsContact CG-CD2 3.47Å; H168-L171 PolarHBondContact ND1-N 3.37Å; H168-D201 PolarHBondContact CE1-O 2.82Å; H168-D201 PolarHBondContact NE2-O 3.29Å; H168-A204 CarbonylContact O-C 3.3Å; H168-D237 PolarHBondContact N-OD2 3.18Å
169	T	98	Very high	97.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.123	C	C	.	.			trans	67.7	-19	176	82.5	0	0	0	0	117.5	V167 A204 V206 S217 W232 D237	V167-T169 HydrophobicContact CB-CG2 4.01Å; V167-T169 HydrophobicContact CG1-CG2 3.7Å; T169-A204 WeakPolarHBondContact OG1-CB 3.47Å; T169-A204 PolarHBondContact OG1-O 3.36Å; T169-V206 HydrophobicContact CG2-CG2 4.14Å; T169-S217 WeakPolarHBondContact O-CA 3.48Å; T169-S217 VanDerWaalsContact O-CB 3.23Å; T169-S217 WeakPolarHBondContact O-CB 3.47Å; T169-S217 PolarHBondContact O-N 3.02Å; T169-S217 PolarHBondContact O-OG 3.12Å; T169-W232 HydrophobicContact CG2-CE3 4.33Å; T169-W232 HydrophobicContact CG2-CH2 3.61Å; T169-W232 HydrophobicContact CG2-CZ3 3.48Å; T169-W232 VanDerWaalsContact CG2-CZ3 3.48Å; T169-D237 WeakPolarHBondContact CA-OD1 3.41Å; T169-D237 PolarHBondContact N-OD1 2.83Å
170	D	97.8	Very high	97.4	Very high	22 Å²	22	25.9 Å²	25.9	12%	0.118	14%	0.138	C	C	.	.			trans	-127.2	50.3	173.7	-162.1	38.5	0	0	0	113.2	H168 K172 N175 A204 T218	H168-D170 PolarHBondContact CE1-O 3.36Å; H168-D170 PolarHBondContact ND1-N 3.07Å; H168-D170 PolarHBondContact O-N 3.22Å; D170-K172 IonicContact OD1-NZ 3.99Å; D170-K172 IonicContact OD2-NZ 3.17Å; D170-K172 PolarHBondContact OD2-NZ 3.34Å; D170-N175 PolarHBondContact O-ND2 3.23Å; D170-A204 HydrophobicContact CB-CB 4.06Å; D170-T218 WeakPolarHBondContact OD1-CB 3.44Å; D170-T218 PolarHBondContact OD1-N 3.43Å; D170-T218 PolarHBondContact OD1-OG1 3.47Å
171	L	98.7	Very high	96.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.151	C	C	.	.			trans	-72.6	128.7	173.7	-67.2	173.1	0	0	0	110.4	L154 V158 H168 L199 D237 I241 I244	L154-L171 HydrophobicContact CD1-CD2 4.27Å; V158-L171 HydrophobicContact CG1-CD1 4.15Å; V158-L171 HydrophobicContact CG2-CD1 3.78Å; V158-L171 HydrophobicContact CG2-CD2 3.97Å; H168-L171 HydrophobicContact CB-CD1 4.4Å; H168-L171 HydrophobicContact CB-CD2 3.93Å; H168-L171 HydrophobicContact CB-CG 3.89Å; H168-L171 VanDerWaalsContact CG-CD2 3.47Å; H168-L171 PolarHBondContact ND1-N 3.37Å; L171-L199 HydrophobicContact CD2-CD1 4.35Å; L171-D237 HydrophobicContact CD1-CB 3.65Å; L171-I241 HydrophobicContact CD1-CD1 4.1Å; L171-I241 HydrophobicContact CD1-CG1 3.85Å; L171-I244 HydrophobicContact CB-CD1 4.02Å
172	K	98.1	Very high	95.6	Very high	31 Å²	31	28.6 Å²	28.6	14%	0.135	16%	0.155	C	C	.	.			trans	-163.6	160.9	178.6	60.2	-169.3	-176.6	-148.2	0	110	D170 E174 N175 T218 Y221	D170-K172 IonicContact OD1-NZ 3.99Å; D170-K172 IonicContact OD2-NZ 3.17Å; D170-K172 PolarHBondContact OD2-NZ 3.34Å; K172-E174 VanDerWaalsContact CB-OE2 3.29Å; K172-E174 WeakPolarHBondContact CB-OE2 3.38Å; K172-E174 HydrophobicContact CD-CB 4.35Å; K172-E174 HydrophobicContact CG-CB 4.13Å; K172-E174 VanDerWaalsContact CG-OE2 3.25Å; K172-E174 WeakPolarHBondContact CG-OE2 3.44Å; K172-E174 PolarHBondContact O-N 2.86Å; K172-N175 WeakPolarHBondContact CE-ND2 3.36Å; K172-N175 HydrophobicContact CG-CB 4.02Å; K172-N175 PolarHBondContact O-N 2.83Å; K172-T218 HydrophobicContact CD-CG2 4.44Å; K172-T218 WeakPolarHBondContact CD-OG1 3.45Å; K172-T218 PolarHBondContact NZ-OG1 2.97Å; K172-Y221 HydrophobicContact CB-CD2 3.59Å; K172-Y221 HydrophobicContact CB-CE2 3.37Å; K172-Y221 HydrophobicContact CB-CG 4.42Å
173	P	97.9	Very high	94.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.1	-178.7	-21.5	34.1	0	0	0	114.1	V130 F131 M134 N175 M176 Y221 I244	V130-P173 HydrophobicContact CB-CB 4.37Å; V130-P173 WeakPolarHBondContact CB-O 3.47Å; V130-P173 HydrophobicContact CG1-CB 4.26Å; V130-P173 PolarHBondContact N-O 2.85Å; F131-P173 HydrophobicContact CB-CB 3.99Å; F131-P173 PolarHBondContact N-O 2.95Å; F131-P173 VanDerWaalsContact N-O 3.14Å; M134-P173 HydrophobicContact CE-CB 3.67Å; M134-P173 HydrophobicContact CE-CG 4Å; P173-N175 VanDerWaalsContact C-N 3.26Å; P173-N175 PolarHBondContact O-N 3.07Å; P173-M176 PolarHBondContact O-N 3.1Å; P173-Y221 WeakPolarHBondContact CD-OH 3.03Å; P173-Y221 HydrophobicContact CG-CE1 4.5Å; P173-I244 HydrophobicContact CG-CG1 4.36Å; P173-I244 HydrophobicContact CG-CG2 4.38Å
174	E	96.5	Very high	92.4	Very high	63 Å²	63	31.7 Å²	31.7	29%	0.294	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-66.5	-29.6	172.6	-58.1	91.9	137.4	0	0	111.9	F131 K172 M176 I200	F131-E174 HydrophobicContact CB-CB 4.36Å; F131-E174 HydrophobicContact CB-CG 3.74Å; F131-E174 HydrophobicContact CD1-CG 3.98Å; F131-E174 HydrophobicContact CD2-CG 4.36Å; F131-E174 HydrophobicContact CG-CG 3.77Å; K172-E174 VanDerWaalsContact CB-OE2 3.29Å; K172-E174 WeakPolarHBondContact CB-OE2 3.38Å; K172-E174 HydrophobicContact CD-CB 4.35Å; K172-E174 HydrophobicContact CG-CB 4.13Å; K172-E174 VanDerWaalsContact CG-OE2 3.25Å; K172-E174 WeakPolarHBondContact CG-OE2 3.44Å; K172-E174 PolarHBondContact O-N 2.86Å; E174-M176 VanDerWaalsContact C-N 3.28Å; E174-M176 PolarHBondContact O-N 3.13Å; E174-I200 WeakPolarHBondContact O-CD1 3.41Å
175	N	97.6	Very high	90.6	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-93.2	17.7	-178.4	-72.5	-2.9	0	0	0	113.1	D170 K172 P173 I200 D201	D170-N175 PolarHBondContact O-ND2 3.23Å; K172-N175 WeakPolarHBondContact CE-ND2 3.36Å; K172-N175 HydrophobicContact CG-CB 4.02Å; K172-N175 PolarHBondContact O-N 2.83Å; P173-N175 VanDerWaalsContact C-N 3.26Å; P173-N175 PolarHBondContact O-N 3.07Å; N175-I200 VanDerWaalsContact C-CG1 3.41Å; N175-I200 VanDerWaalsContact CA-CG1 3.47Å; N175-I200 HydrophobicContact CB-CG1 4.24Å; N175-I200 WeakPolarHBondContact O-CG1 3.44Å; N175-I200 PolarHBondContact O-N 3.03Å; N175-D201 PolarHBondContact ND2-OD2 3.46Å
176	M	98.2	Very high	88.8	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.2	173.9	-59.3	165.7	66.4	0	0	107.7	S129 V130 I150 L154 P173 E174 I197 L199 I244	S129-M176 CarbonylContact C-O 3.56Å; S129-M176 VanDerWaalsContact CA-O 3.26Å; S129-M176 WeakPolarHBondContact CA-O 3.27Å; V130-M176 HydrophobicContact CB-CB 4.1Å; V130-M176 HydrophobicContact CG2-CB 3.57Å; V130-M176 HydrophobicContact CG2-CE 4.32Å; V130-M176 WeakPolarHBondContact CG2-O 3.38Å; V130-M176 PolarHBondContact N-O 3.19Å; I150-M176 HydrophobicContact CG2-CE 3.45Å; I150-M176 VanDerWaalsContact CG2-CE 3.45Å; L154-M176 HydrophobicContact CB-CE 4.07Å; L154-M176 HydrophobicContact CD1-CE 4.37Å; L154-M176 HydrophobicContact CD1-SD 4.33Å; L154-M176 HydrophobicContact CD2-CE 3.88Å; L154-M176 HydrophobicContact CD2-SD 4Å; L154-M176 HydrophobicContact CG-CE 4.33Å; P173-M176 PolarHBondContact O-N 3.1Å; E174-M176 VanDerWaalsContact C-N 3.28Å; E174-M176 PolarHBondContact O-N 3.13Å; M176-I197 HydrophobicContact CE-CD1 3.49Å; M176-I197 VanDerWaalsContact CE-CD1 3.49Å; M176-L199 HydrophobicContact CG-CD2 3.93Å; M176-I244 HydrophobicContact SD-CD1 4.44Å; M176-I244 HydrophobicContact SD-CG2 3.9Å
177	I	97.2	Very high	87.1	Confident	27 Å²	27	48.7 Å²	48.7	14%	0.138	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.3	-176.4	-160	160.3	0	0	0	111.2	V107 Y126 G127 I197 R198 I200	V107-I177 HydrophobicContact CG1-CG2 4.15Å; Y126-I177 HydrophobicContact CD2-CG2 4.26Å; Y126-I177 HydrophobicContact CG-CD1 4.48Å; Y126-I177 HydrophobicContact CG-CG2 4.05Å; G127-I177 WeakPolarHBondContact O-CD1 3.2Å; G127-I177 VanDerWaalsContact O-CG1 3.27Å; G127-I177 WeakPolarHBondContact O-CG1 3.29Å; I177-I197 CarbonylContact O-C 3.58Å; I177-I197 WeakPolarHBondContact O-CA 3.44Å; I177-R198 HydrophobicContact CG2-CB 3.96Å; I177-R198 PolarHBondContact N-O 2.96Å; I177-R198 PolarHBondContact O-N 2.79Å; I177-I200 HydrophobicContact CB-CG2 4.1Å; I177-I200 HydrophobicContact CG2-CG2 3.58Å
178	F	97	Very high	85.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.4	174.3	-71.5	-66.1	0	0	0	110.8	G127 M128 V130 F133 Y142 I150 T180 M192 S196 I197	G127-F178 PolarHBondContact N-O 3.07Å; M128-F178 WeakPolarHBondContact O-CD2 3.36Å; M128-F178 PolarHBondContact O-N 2.8Å; V130-F178 HydrophobicContact CB-CE2 4.3Å; V130-F178 HydrophobicContact CB-CZ 4.44Å; V130-F178 HydrophobicContact CG2-CD2 4.4Å; V130-F178 HydrophobicContact CG2-CE1 4.21Å; V130-F178 HydrophobicContact CG2-CE2 3.88Å; V130-F178 HydrophobicContact CG2-CZ 3.76Å; F133-F178 HydrophobicContact CB-CD2 4.35Å; F133-F178 HydrophobicContact CB-CE2 3.79Å; F133-F178 HydrophobicContact CG-CE2 4.11Å; Y142-F178 HydrophobicContact CE1-CZ 4.21Å; Y142-F178 WeakPolarHBondContact OH-CE2 3.19Å; Y142-F178 WeakPolarHBondContact OH-CZ 3.16Å; I150-F178 HydrophobicContact CD1-CE1 3.92Å; I150-F178 HydrophobicContact CD1-CZ 3.92Å; I150-F178 HydrophobicContact CG1-CE1 4.27Å; F178-T180 WeakPolarHBondContact CB-O 3.46Å; F178-T180 PolarHBondContact O-N 3.27Å; F178-M192 HydrophobicContact CB-CE 3.85Å; F178-M192 HydrophobicContact CD1-CE 3.75Å; F178-M192 HydrophobicContact CD2-CE 3.83Å; F178-M192 HydrophobicContact CD2-SD 4.23Å; F178-M192 HydrophobicContact CE1-CE 4.23Å; F178-M192 HydrophobicContact CE1-CG 4.2Å; F178-M192 HydrophobicContact CE2-CE 4.29Å; F178-M192 HydrophobicContact CE2-CG 4.12Å; F178-M192 HydrophobicContact CE2-SD 4.26Å; F178-M192 HydrophobicContact CG-CE 3.53Å; F178-M192 HydrophobicContact CG-SD 4.49Å; F178-M192 HydrophobicContact CZ-CE 4.48Å; F178-M192 HydrophobicContact CZ-CG 3.91Å; F178-S196 WeakPolarHBondContact CA-O 3.29Å; F178-I197 HydrophobicContact CD1-CG2 3.65Å; F178-I197 HydrophobicContact CE1-CG2 3.75Å
179	V	95.3	Very high	84.5	Confident	45 Å²	45	63.6 Å²	63.6	27%	0.273	31%	0.306	S	S	.	.	S	Bend	trans	-64.3	-34.8	177.5	176.9	0	0	0	0	111.5	S196 R198	V179-S196 PolarHBondContact N-O 3.26Å; V179-R198 HydrophobicContact CG2-CG 4.23Å; V179-R198 VanDerWaalsContact CG2-NH1 3.27Å
180	T	91.5	Very high	83.5	Confident	60 Å²	60	67.4 Å²	67.4	37%	0.368	32%	0.32	S	S	.	.	S	Bend	trans	-124	150.6	-178.5	58.1	0	0	0	0	111.1	F178	F178-T180 WeakPolarHBondContact CB-O 3.46Å; F178-T180 PolarHBondContact O-N 3.27Å
181	D	83.3	Confident	82.5	Confident	90 Å²	90	69.4 Å²	69.4	48%	0.481	33%	0.333	S	S	.	.			trans	-66.1	147.5	172.5	-80.5	-52.9	0	0	0	111.5	G127 L183	G127-D181 VanDerWaalsContact CA-OD1 3.23Å; G127-D181 WeakPolarHBondContact CA-OD1 3.2Å; D181-L183 PolarHBondContact O-N 3.48Å
182	P	76.3	Confident	81.8	Confident	13 Å²	13	69.5 Å²	69.5	8%	0.084	33%	0.333	C	S	.	.			trans	-59.4	129.4	170.6	25.5	-33.9	0	0	0	110.3	M128 F133 L184 M192	M128-P182 HydrophobicContact CG-CG 4.42Å; M128-P182 HydrophobicContact SD-CG 3.7Å; F133-P182 HydrophobicContact CD2-CB 3.84Å; F133-P182 HydrophobicContact CD2-CG 3.99Å; F133-P182 HydrophobicContact CE2-CB 3.62Å; F133-P182 HydrophobicContact CE2-CG 4.25Å; P182-L184 PolarHBondContact O-N 3.36Å; P182-M192 HydrophobicContact CB-SD 3.58Å; P182-M192 VanDerWaalsContact CB-SD 3.58Å; P182-M192 HydrophobicContact CG-SD 4.4Å
183	L	68	Low	81.1	Confident	97 Å²	97	76.4 Å²	76.4	51%	0.508	36%	0.358	S	S	.	.			trans	-69.4	102.7	164.2	-72.1	171.9	0	0	0	108.3	D181 Q185 R193	D181-L183 PolarHBondContact O-N 3.48Å; L183-Q185 PolarHBondContact O-N 3.38Å; L183-R193 HydrophobicContact CD1-CG 4.32Å
184	L	60	Low	80.7	Confident	120 Å²	120	79 Å²	79	63%	0.628	37%	0.372	S	S	*	.			trans	-60.6	93.8	177.8	-62.2	173.9	0	0	0	109.7	P182	P182-L184 PolarHBondContact O-N 3.36Å
185	Q	59.9	Low	80.6	Confident	82 Å²	82	76.7 Å²	76.7	38%	0.383	36%	0.363	S	S	.	.			trans	-86.1	137.8	164.6	-67.4	-174.6	24.4	0	0	108.8	L183 K187 R193	L183-Q185 PolarHBondContact O-N 3.38Å; Q185-K187 HydrophobicContact CB-CG 4.41Å; Q185-K187 PolarHBondContact O-N 3.04Å; Q185-R193 VanDerWaalsContact NE2-NH2 3.11Å
186	K	58.4	Low	80.6	Confident	224 Å²	224	77.8 Å²	77.8	97%	0.974	37%	0.371	S	S	*	.	S	Bend	trans	-71	51	173.2	-66.3	-175.8	176.2	-178.3	0	111.9
187	K	63.7	Low	80.6	Confident	135 Å²	135	78 Å²	78	59%	0.587	37%	0.372	S	S	*	.	S	Bend	trans	-103.4	159.1	171.9	-69.2	-172.8	178.6	-175.3	0	108.9	Q185 Y189	Q185-K187 HydrophobicContact CB-CG 4.41Å; Q185-K187 PolarHBondContact O-N 3.04Å; K187-Y189 WeakPolarHBondContact CB-O 3.43Å; K187-Y189 PolarHBondContact O-N 2.95Å; K187-Y189 VanDerWaalsContact O-N 3.1Å
188	E	68.5	Low	80.6	Confident	193 Å²	193	78.4 Å²	78.4	90%	0.902	37%	0.372	S	S	*	.	S	Bend	trans	-55.6	-26.6	177.8	-68.6	-177.5	156.2	0	0	112.7
189	Y	71.9	Confident	80.7	Confident	120 Å²	120	78.5 Å²	78.5	47%	0.471	37%	0.372	S	S	.	.	S	Bend	trans	-135.2	151	171.5	66.5	-82.9	0	0	0	111.4	K187 V191	K187-Y189 WeakPolarHBondContact CB-O 3.43Å; K187-Y189 PolarHBondContact O-N 2.95Å; K187-Y189 VanDerWaalsContact O-N 3.1Å; Y189-V191 HydrophobicContact CD2-CG2 3.77Å; Y189-V191 HydrophobicContact CE2-CG2 3.51Å
190	R	77.5	Confident	80.8	Confident	81 Å²	81	78.1 Å²	78.1	31%	0.306	37%	0.369	S	S	.	.			trans	-93.4	146.5	179.6	-56.3	178.4	-172.7	-170.5	3.3	109.8	F133 A136 N137	F133-R190 HydrophobicContact CE2-CB 3.98Å; F133-R190 HydrophobicContact CZ-CB 3.73Å; A136-R190 PolarHBondContact O-NE 3.5Å; N137-R190 PolarHBondContact ND2-O 2.86Å; N137-R190 WeakPolarHBondContact OD1-CB 3.25Å; N137-R190 PolarHBondContact OD1-N 3Å
191	V	78	Confident	80.9	Confident	63 Å²	63	77 Å²	77	38%	0.382	36%	0.36	S	S	.	.			trans	-131.4	123.7	177.1	-179.9	0	0	0	0	107.5	Y189 R193	Y189-V191 HydrophobicContact CD2-CG2 3.77Å; Y189-V191 HydrophobicContact CE2-CG2 3.51Å; V191-R193 PolarHBondContact O-N 3.08Å
192	M	83.2	Confident	81.6	Confident	5 Å²	5	72.7 Å²	72.7	3%	0.025	34%	0.337	C	S	.	.			trans	-65.1	126.5	173.5	-73.2	-59.8	-66.7	0	0	109.8	F133 Y142 Q146 F178 P182 D194 T195	F133-M192 HydrophobicContact CD1-CG 4.45Å; F133-M192 HydrophobicContact CD2-CG 3.95Å; F133-M192 HydrophobicContact CD2-SD 3.41Å; F133-M192 WeakPolarHBondContact CD2-SD 3.45Å; F133-M192 HydrophobicContact CE1-CG 4.14Å; F133-M192 HydrophobicContact CE2-CG 3.65Å; F133-M192 HydrophobicContact CE2-SD 3.33Å; F133-M192 WeakPolarHBondContact CE2-SD 3.28Å; F133-M192 HydrophobicContact CG-CG 4.34Å; F133-M192 HydrophobicContact CG-SD 4.22Å; F133-M192 HydrophobicContact CZ-CG 3.72Å; F133-M192 HydrophobicContact CZ-SD 4.06Å; Y142-M192 HydrophobicContact CE1-CG 4.46Å; Q146-M192 PolarHBondContact NE2-O 3.45Å; F178-M192 HydrophobicContact CB-CE 3.85Å; F178-M192 HydrophobicContact CD1-CE 3.75Å; F178-M192 HydrophobicContact CD2-CE 3.83Å; F178-M192 HydrophobicContact CD2-SD 4.23Å; F178-M192 HydrophobicContact CE1-CE 4.23Å; F178-M192 HydrophobicContact CE1-CG 4.2Å; F178-M192 HydrophobicContact CE2-CE 4.29Å; F178-M192 HydrophobicContact CE2-CG 4.12Å; F178-M192 HydrophobicContact CE2-SD 4.26Å; F178-M192 HydrophobicContact CG-CE 3.53Å; F178-M192 HydrophobicContact CG-SD 4.49Å; F178-M192 HydrophobicContact CZ-CE 4.48Å; F178-M192 HydrophobicContact CZ-CG 3.91Å; P182-M192 HydrophobicContact CB-SD 3.58Å; P182-M192 VanDerWaalsContact CB-SD 3.58Å; P182-M192 HydrophobicContact CG-SD 4.4Å; M192-D194 WeakPolarHBondContact CE-O 3.42Å; M192-T195 HydrophobicContact CB-CG2 3.66Å
193	R	82.8	Confident	82.4	Confident	176 Å²	176	73.1 Å²	73.1	66%	0.664	34%	0.343	S	S	*	.	S	Bend	trans	-75.6	-38.4	174.7	-71	-161.4	-175.4	167.2	-0.8	111.8	L183 Q185 V191	L183-R193 HydrophobicContact CD1-CG 4.32Å; Q185-R193 VanDerWaalsContact NE2-NH2 3.11Å; V191-R193 PolarHBondContact O-N 3.08Å
194	D	90.7	Very high	83.7	Confident	54 Å²	54	70.4 Å²	70.4	29%	0.289	34%	0.335	S	S	.	.			trans	-119	121.9	174.8	175.5	13.2	0	0	0	107.7	M192 S196	M192-D194 WeakPolarHBondContact CE-O 3.42Å; D194-S196 WeakPolarHBondContact OD1-CB 3.45Å; D194-S196 PolarHBondContact OD1-N 3.41Å; D194-S196 PolarHBondContact OD1-OG 3.43Å
195	T	94.8	Very high	85.5	Confident	15 Å²	15	65.2 Å²	65.2	9%	0.092	31%	0.308	C	S	.	.			trans	-103.7	20	179.6	46.8	0	0	0	0	112	Q146 H149 I150 Q153 M192 I197	Q146-T195 HydrophobicContact CB-CG2 3.92Å; Q146-T195 HydrophobicContact CG-CG2 3.79Å; H149-T195 PolarHBondContact ND1-OG1 3.37Å; I150-T195 HydrophobicContact CD1-CG2 4.33Å; I150-T195 HydrophobicContact CG1-CG2 4.41Å; Q153-T195 PolarHBondContact NE2-O 3.21Å; M192-T195 HydrophobicContact CB-CG2 3.66Å; T195-I197 PolarHBondContact O-N 2.87Å
196	S	96.7	Very high	87.2	Confident	33 Å²	33	63.3 Å²	63.3	23%	0.231	30%	0.303	C	S	.	.			trans	-61.6	129.5	170.8	-58.9	0	0	0	0	110.5	Q153 F178 V179 D194	Q153-S196 VanDerWaalsContact OE1-CA 3.26Å; F178-S196 WeakPolarHBondContact CA-O 3.29Å; V179-S196 PolarHBondContact N-O 3.26Å; D194-S196 WeakPolarHBondContact OD1-CB 3.45Å; D194-S196 PolarHBondContact OD1-N 3.41Å; D194-S196 PolarHBondContact OD1-OG 3.43Å
197	I	98	Very high	89	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.6	-179.3	60.8	165.8	0	0	0	111.9	V130 I150 Q153 L154 M176 I177 F178 T195	V130-I197 HydrophobicContact CG2-CG2 4.11Å; I150-I197 HydrophobicContact CG2-CD1 4.21Å; Q153-I197 HydrophobicContact CB-CD1 4.01Å; Q153-I197 HydrophobicContact CB-CG1 3.73Å; Q153-I197 HydrophobicContact CG-CG1 4.5Å; L154-I197 HydrophobicContact CB-CD1 4.34Å; M176-I197 HydrophobicContact CE-CD1 3.49Å; M176-I197 VanDerWaalsContact CE-CD1 3.49Å; I177-I197 CarbonylContact O-C 3.58Å; I177-I197 WeakPolarHBondContact O-CA 3.44Å; F178-I197 HydrophobicContact CD1-CG2 3.65Å; F178-I197 HydrophobicContact CE1-CG2 3.75Å; T195-I197 PolarHBondContact O-N 2.87Å
198	R	98.1	Very high	90.6	Very high	34 Å²	34	52.4 Å²	52.4	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.4	163	-61.1	-65.3	-179.3	-87.5	-0.2	108.8	G103 T104 L105 V107 Y126 I177 V179	G103-R198 PolarHBondContact O-NE 3.17Å; T104-R198 VanDerWaalsContact C-CD 3.48Å; T104-R198 VanDerWaalsContact C-CZ 3.42Å; T104-R198 VanDerWaalsContact C-NE 3.25Å; T104-R198 VanDerWaalsContact CA-CZ 3.44Å; T104-R198 WeakPolarHBondContact O-CD 3.27Å; T104-R198 PolarHBondContact O-NE 2.87Å; T104-R198 VanDerWaalsContact O-NE 3.08Å; T104-R198 PolarHBondContact O-NH1 3.47Å; L105-R198 WeakPolarHBondContact O-CA 3.5Å; V107-R198 HydrophobicContact CG1-CB 3.86Å; Y126-R198 HydrophobicContact CE1-CG 3.89Å; I177-R198 HydrophobicContact CG2-CB 3.96Å; I177-R198 PolarHBondContact N-O 2.96Å; I177-R198 PolarHBondContact O-N 2.79Å; V179-R198 HydrophobicContact CG2-CG 4.23Å; V179-R198 VanDerWaalsContact CG2-NH1 3.27Å
199	L	98.5	Very high	91.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.3	166.6	-56.6	-175.9	0	0	0	110	L105 F106 V107 L154 A157 V158 M161 L171 M176 F202	L105-L199 PolarHBondContact O-N 3.15Å; F106-L199 HydrophobicContact CD1-CB 4.2Å; F106-L199 HydrophobicContact CE1-CD1 4.28Å; V107-L199 PolarHBondContact N-O 3.02Å; V107-L199 VanDerWaalsContact N-O 3.14Å; L154-L199 HydrophobicContact CD1-CD1 4.43Å; L154-L199 HydrophobicContact CD1-CD2 3.69Å; A157-L199 HydrophobicContact CB-CD1 3.73Å; A157-L199 HydrophobicContact CB-CG 4.09Å; V158-L199 HydrophobicContact CG2-CD1 3.7Å; M161-L199 HydrophobicContact SD-CD1 4.46Å; L171-L199 HydrophobicContact CD2-CD1 4.35Å; M176-L199 HydrophobicContact CG-CD2 3.93Å; L199-F202 HydrophobicContact CB-CZ 4.11Å
200	I	96.9	Very high	92.5	Very high	38 Å²	38	54.5 Å²	54.5	20%	0.195	26%	0.262	C	S	.	.			trans	-120.6	171.1	175.5	57.4	166.7	0	0	0	109.9	V107 E174 N175 I177	V107-I200 HydrophobicContact CB-CG2 4.16Å; V107-I200 HydrophobicContact CG1-CB 4.43Å; V107-I200 HydrophobicContact CG1-CG2 3.21Å; V107-I200 HydrophobicContact CG2-CB 4.43Å; V107-I200 HydrophobicContact CG2-CG2 3.94Å; E174-I200 WeakPolarHBondContact O-CD1 3.41Å; N175-I200 VanDerWaalsContact C-CG1 3.41Å; N175-I200 VanDerWaalsContact CA-CG1 3.47Å; N175-I200 HydrophobicContact CB-CG1 4.24Å; N175-I200 WeakPolarHBondContact O-CG1 3.44Å; N175-I200 PolarHBondContact O-N 3.03Å; I177-I200 HydrophobicContact CB-CG2 4.1Å; I177-I200 HydrophobicContact CG2-CG2 3.58Å
201	D	94.7	Very high	92.7	Very high	35 Å²	35	57.6 Å²	57.6	19%	0.187	28%	0.284	C	S	.	.			trans	61.6	81.9	171.4	-168.6	17.5	0	0	0	114.2	K74 H168 N175 G203	K74-D201 IonicContact NZ-OD1 3.05Å; H168-D201 PolarHBondContact CE1-O 2.82Å; H168-D201 PolarHBondContact NE2-O 3.29Å; N175-D201 PolarHBondContact ND2-OD2 3.46Å; D201-G203 VanDerWaalsContact C-N 3.32Å; D201-G203 PolarHBondContact OD1-N 2.7Å
202	F	96.7	Very high	93.3	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	27%	0.27	C	S	.	.			trans	-96.1	14	177.4	-58.2	-85.9	0	0	0	112	E89 I92 L93 L96 F106 V107 M161 L199 A204 T205	E89-F202 HydrophobicContact CG-CB 4.18Å; E89-F202 PolarHBondContact OE1-N 3.16Å; I92-F202 HydrophobicContact CG2-CB 3.93Å; I92-F202 HydrophobicContact CG2-CD1 4.33Å; I92-F202 HydrophobicContact CG2-CG 4.28Å; L93-F202 HydrophobicContact CD2-CD2 3.44Å; L93-F202 VanDerWaalsContact CD2-CD2 3.44Å; L93-F202 HydrophobicContact CD2-CE2 3.77Å; L93-F202 HydrophobicContact CD2-CG 4.41Å; L93-F202 HydrophobicContact CG-CD2 4.13Å; L96-F202 HydrophobicContact CD1-CD1 3.54Å; L96-F202 HydrophobicContact CD1-CD2 4.17Å; L96-F202 HydrophobicContact CD1-CE1 3.36Å; L96-F202 HydrophobicContact CD1-CE2 4.01Å; L96-F202 HydrophobicContact CD1-CG 3.95Å; L96-F202 HydrophobicContact CD1-CZ 3.62Å; F106-F202 HydrophobicContact CB-CE2 4.36Å; F106-F202 HydrophobicContact CB-CZ 3.92Å; F106-F202 HydrophobicContact CD1-CE1 4Å; F106-F202 AromaticContact CD1-CZ 3.64Å; F106-F202 HydrophobicContact CD1-CZ 3.64Å; F106-F202 HydrophobicContact CG-CZ 4.06Å; V107-F202 HydrophobicContact CG2-CE2 4.21Å; M161-F202 HydrophobicContact CE-CD1 4Å; M161-F202 HydrophobicContact CE-CE1 3.97Å; M161-F202 HydrophobicContact SD-CE1 4.02Å; L199-F202 HydrophobicContact CB-CZ 4.11Å; F202-A204 PolarHBondContact O-N 2.97Å; F202-A204 VanDerWaalsContact O-N 3.16Å; F202-T205 WeakPolarHBondContact O-CB 3.44Å; F202-T205 PolarHBondContact O-N 2.85Å
203	G	93.7	Very high	93.4	Very high	21 Å²	21	59.4 Å²	59.4	22%	0.216	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.8	-177	0	0	0	0	0	114.2	S85 D201	S85-G203 PolarHBondContact OG-O 3.23Å; D201-G203 VanDerWaalsContact C-N 3.32Å; D201-G203 PolarHBondContact OD1-N 2.7Å
204	A	94.8	Very high	93.9	Very high	41 Å²	41	54 Å²	54	34%	0.339	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-3.5	174.3	0	0	0	0	0	113.6	H168 T169 D170 F202	H168-A204 CarbonylContact O-C 3.3Å; T169-A204 WeakPolarHBondContact OG1-CB 3.47Å; T169-A204 PolarHBondContact OG1-O 3.36Å; D170-A204 HydrophobicContact CB-CB 4.06Å; F202-A204 PolarHBondContact O-N 2.97Å; F202-A204 VanDerWaalsContact O-N 3.16Å
205	T	97.2	Very high	94	Very high	10 Å²	10	55.2 Å²	55.2	6%	0.061	29%	0.293	C	S	.	.			trans	-69.8	137.5	-178	-65.8	0	0	0	0	110.5	I92 M161 L166 V167 F202	I92-T205 HydrophobicContact CD1-CG2 4.49Å; I92-T205 HydrophobicContact CG2-CG2 3.87Å; M161-T205 HydrophobicContact CE-CG2 3.6Å; L166-T205 HydrophobicContact CB-CG2 4.2Å; L166-T205 HydrophobicContact CD1-CG2 4.28Å; L166-T205 HydrophobicContact CD2-CG2 4.2Å; L166-T205 HydrophobicContact CG-CG2 4.47Å; V167-T205 WeakPolarHBondContact O-CA 3.42Å; V167-T205 WeakPolarHBondContact O-CG2 3.14Å; F202-T205 WeakPolarHBondContact O-CB 3.44Å; F202-T205 PolarHBondContact O-N 2.85Å
206	V	96.7	Very high	94.1	Very high	43 Å²	43	55.6 Å²	55.6	26%	0.261	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.1	-178.3	-65	0	0	0	0	111.3	L166 V167 T169 Q212 W232	L166-V206 WeakPolarHBondContact CA-O 3.17Å; V167-V206 PolarHBondContact N-O 3.3Å; V167-V206 PolarHBondContact O-N 3.26Å; T169-V206 HydrophobicContact CG2-CG2 4.14Å; V206-Q212 VanDerWaalsContact CG2-NE2 3.35Å; V206-W232 HydrophobicContact CG2-CH2 3.81Å; V206-W232 HydrophobicContact CG2-CZ3 4.05Å
207	F	96.9	Very high	94.1	Very high	77 Å²	77	54.6 Å²	54.6	34%	0.338	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.3	162	-74.5	-83.3	0	0	0	109.4	I92 K95 W99 G165 L166 R209	I92-F207 HydrophobicContact CD1-CD2 4.23Å; I92-F207 HydrophobicContact CD1-CE2 3.63Å; I92-F207 HydrophobicContact CD1-CZ 4.25Å; K95-F207 HydrophobicContact CD-CE2 4.26Å; K95-F207 HydrophobicContact CD-CZ 3.71Å; W99-F207 HydrophobicContact CH2-CE1 4.31Å; W99-F207 HydrophobicContact CH2-CZ 4.3Å; G165-F207 CarbonylContact O-C 3.55Å; G165-F207 WeakPolarHBondContact O-CA 3.5Å; L166-F207 HydrophobicContact CD2-CD1 3.76Å; L166-F207 HydrophobicContact CD2-CD2 4.01Å; L166-F207 HydrophobicContact CD2-CE1 3.62Å; L166-F207 HydrophobicContact CD2-CE2 3.87Å; L166-F207 HydrophobicContact CD2-CG 3.94Å; L166-F207 HydrophobicContact CD2-CZ 3.65Å; L166-F207 HydrophobicContact CG-CE1 4.34Å; F207-R209 PolarHBondContact O-N 3.21Å
208	N	96.7	Very high	94	Very high	53 Å²	53	56.2 Å²	56.2	28%	0.283	30%	0.299	S	S	.	.			trans	-59.4	127.8	174.9	-176.7	58.3	0	0	0	109.8	G165 V167 S233 Y234	G165-N208 PolarHBondContact O-N 3.38Å; V167-N208 HydrophobicContact CG2-CB 3.89Å; N208-S233 WeakPolarHBondContact OD1-CB 3.39Å; N208-Y234 HydrophobicContact CB-CE1 3.65Å; N208-Y234 HydrophobicContact CB-CE2 4.27Å; N208-Y234 VanDerWaalsContact CB-CZ 3.49Å; N208-Y234 VanDerWaalsContact CB-OH 3.3Å; N208-Y234 WeakPolarHBondContact CB-OH 3.3Å; N208-Y234 PolarHBondContact ND2-OH 3.44Å
209	R	93.5	Very high	93.9	Very high	171 Å²	171	58.4 Å²	58.4	65%	0.645	31%	0.307	S	S	*	.			trans	-133.6	161.9	179.6	-69.5	-175.2	-63.1	-170.5	1.9	109.8	F207 Q212	F207-R209 PolarHBondContact O-N 3.21Å; R209-Q212 HydrophobicContact CB-CG 4.13Å; R209-Q212 PolarHBondContact O-OE1 2.61Å
210	K	86.1	Confident	93.8	Very high	186 Å²	186	61.3 Å²	61.3	81%	0.809	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	151.7	167.1	-63.8	-175.7	179.7	-179.5	0	109.3	Q212	K210-Q212 PolarHBondContact O-N 3.41Å
211	D	81.6	Confident	93.9	Very high	146 Å²	146	59.8 Å²	59.8	78%	0.781	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	27.4	168.1	-45.3	-46.8	0	0	0	116.4	T213	D211-T213 PolarHBondContact O-N 2.94Å
212	Q	90.4	Very high	94	Very high	19 Å²	19	59.5 Å²	59.5	9%	0.089	31%	0.308	C	S	.	.			trans	-72.8	111.3	174.8	-60.4	-175.6	-92.2	0	0	111	V206 R209 K210 G231 W232	V206-Q212 VanDerWaalsContact CG2-NE2 3.35Å; R209-Q212 HydrophobicContact CB-CG 4.13Å; R209-Q212 PolarHBondContact O-OE1 2.61Å; K210-Q212 PolarHBondContact O-N 3.41Å; Q212-G231 VanDerWaalsContact O-CA 3.24Å; Q212-G231 WeakPolarHBondContact O-CA 3.43Å; Q212-W232 HydrophobicContact CB-CD2 4.04Å; Q212-W232 HydrophobicContact CB-CE3 4.28Å; Q212-W232 HydrophobicContact CB-CH2 4.14Å; Q212-W232 HydrophobicContact CB-CZ2 3.87Å; Q212-W232 HydrophobicContact CB-CZ3 4.33Å; Q212-W232 HydrophobicContact CG-CH2 4.48Å; Q212-W232 PolarHBondContact O-N 2.92Å; Q212-W232 VanDerWaalsContact O-N 3.17Å
213	T	86.3	Confident	94.1	Very high	86 Å²	86	59.4 Å²	59.4	53%	0.528	31%	0.308	S	S	.	.			trans	-122.6	-3.8	-175.2	50.6	0	0	0	0	114.2	D211	D211-T213 PolarHBondContact O-N 2.94Å
214	A	92.2	Very high	94.3	Very high	63 Å²	63	58.4 Å²	58.4	52%	0.521	30%	0.298	S	S	.	.	S	Bend	trans	-59.7	144.3	178.5	0	0	0	0	0	111.3	V216 W232	A214-V216 PolarHBondContact O-N 2.9Å; A214-W232 PolarHBondContact O-NE1 3.32Å
215	I	94.3	Very high	94.4	Very high	79 Å²	79	56.6 Å²	56.6	41%	0.405	28%	0.282	S	S	.	.			trans	-71.7	112.7	173.2	-59.2	-59.9	0	0	0	108.6	R222 V226 E229	I215-R222 VanDerWaalsContact CG2-CZ 3.46Å; I215-V226 WeakPolarHBondContact CD1-O 3.39Å; I215-E229 HydrophobicContact CD1-CG 3.85Å
216	V	96	Very high	94.5	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.145	28%	0.279	C	S	.	.			trans	-115.1	175.8	177.6	-63.5	0	0	0	0	111.3	A214 R222 V226 W232	A214-V216 PolarHBondContact O-N 2.9Å; V216-R222 PolarHBondContact O-NE 3.26Å; V216-V226 HydrophobicContact CG2-CG1 3.94Å; V216-V226 HydrophobicContact CG2-CG2 4.14Å; V216-W232 HydrophobicContact CB-CZ2 4.29Å; V216-W232 HydrophobicContact CG1-CH2 3.98Å; V216-W232 HydrophobicContact CG1-CZ2 3.37Å; V216-W232 HydrophobicContact CG2-CD2 4.01Å; V216-W232 HydrophobicContact CG2-CG 4.36Å; V216-W232 HydrophobicContact CG2-CH2 4.45Å; V216-W232 HydrophobicContact CG2-CZ2 3.93Å
217	S	96.5	Very high	94.5	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.084	27%	0.267	C	S	.	.	S	Bend	trans	67.2	143.7	-179.2	-39.7	0	0	0	0	114.8	T169 R222	T169-S217 WeakPolarHBondContact O-CA 3.48Å; T169-S217 VanDerWaalsContact O-CB 3.23Å; T169-S217 WeakPolarHBondContact O-CB 3.47Å; T169-S217 PolarHBondContact O-N 3.02Å; T169-S217 PolarHBondContact O-OG 3.12Å; S217-R222 PolarHBondContact O-NE 3.4Å; S217-R222 PolarHBondContact O-NH2 2.74Å
218	T	95.4	Very high	94.4	Very high	39 Å²	39	50.4 Å²	50.4	24%	0.239	25%	0.251	C	S	.	.			trans	-59	137.8	164.1	-62.9	0	0	0	0	110.1	D170 K172 H220 Y221 R222	D170-T218 WeakPolarHBondContact OD1-CB 3.44Å; D170-T218 PolarHBondContact OD1-N 3.43Å; D170-T218 PolarHBondContact OD1-OG1 3.47Å; K172-T218 HydrophobicContact CD-CG2 4.44Å; K172-T218 WeakPolarHBondContact CD-OG1 3.45Å; K172-T218 PolarHBondContact NZ-OG1 2.97Å; T218-H220 VanDerWaalsContact C-N 3.3Å; T218-H220 PolarHBondContact O-N 2.96Å; T218-H220 VanDerWaalsContact O-N 3.09Å; T218-Y221 HydrophobicContact CG2-CD2 4.26Å; T218-Y221 HydrophobicContact CG2-CE2 4.34Å; T218-Y221 PolarHBondContact O-N 2.66Å; T218-R222 PolarHBondContact O-N 3.41Å
219	R	96.5	Very high	94.3	Very high	80 Å²	80	52.3 Å²	52.3	30%	0.302	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-50.7	-42.3	-164.4	-168.8	-171.8	-82.4	-78	2	114.1	Y221 R222 V257 H258 E259 D260 H263	R219-Y221 PolarHBondContact O-N 3.42Å; R219-R222 PolarHBondContact O-N 3.49Å; R219-V257 HydrophobicContact CB-CG1 4.32Å; R219-V257 WeakPolarHBondContact CD-O 3.34Å; R219-V257 HydrophobicContact CG-CB 4.5Å; R219-V257 HydrophobicContact CG-CG1 3.65Å; R219-V257 HydrophobicContact CG-CG2 4.1Å; R219-H258 VanDerWaalsContact CZ-O 3.27Å; R219-H258 PolarHBondContact NE-O 3.49Å; R219-E259 VanDerWaalsContact NH1-C 3.32Å; R219-E259 VanDerWaalsContact NH1-CA 3.32Å; R219-D260 IonicContact CZ-OD1 3.56Å; R219-D260 IonicContact NH1-OD1 3.86Å; R219-D260 PolarHBondContact NH1-OD1 2.96Å; R219-H263 PolarHBondContact O-CE1 3.26Å
220	H	97.1	Very high	94.4	Very high	63 Å²	63	46.9 Å²	46.9	29%	0.292	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-64.2	-24.3	-177.7	-53.4	100.3	0	0	0	114.2	T218 F255	T218-H220 VanDerWaalsContact C-N 3.3Å; T218-H220 PolarHBondContact O-N 2.96Å; T218-H220 VanDerWaalsContact O-N 3.09Å; H220-F255 PolarHBondContact CD2-O 3.37Å
221	Y	98.2	Very high	94.8	Very high	6 Å²	6	39.1 Å²	39.1	2%	0.024	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-110.8	2.6	-175.7	-47	-73.9	0	0	0	112.2	K172 P173 T218 R219 A223 W239 S240 C243 I244 E247	K172-Y221 HydrophobicContact CB-CD2 3.59Å; K172-Y221 HydrophobicContact CB-CE2 3.37Å; K172-Y221 HydrophobicContact CB-CG 4.42Å; P173-Y221 WeakPolarHBondContact CD-OH 3.03Å; P173-Y221 HydrophobicContact CG-CE1 4.5Å; T218-Y221 HydrophobicContact CG2-CD2 4.26Å; T218-Y221 HydrophobicContact CG2-CE2 4.34Å; T218-Y221 PolarHBondContact O-N 2.66Å; R219-Y221 PolarHBondContact O-N 3.42Å; Y221-A223 PolarHBondContact O-N 3.1Å; Y221-W239 VanDerWaalsContact O-CD1 3.31Å; Y221-S240 PolarHBondContact O-OG 3.31Å; Y221-S240 VanDerWaalsContact O-OG 3.04Å; Y221-C243 HydrophobicContact CD1-CB 3.79Å; Y221-I244 HydrophobicContact CD1-CG1 3.89Å; Y221-I244 HydrophobicContact CE1-CG1 3.94Å; Y221-E247 VanDerWaalsContact CE1-OE2 3.25Å; Y221-E247 WeakPolarHBondContact CE1-OE2 3.4Å; Y221-E247 PolarHBondContact OH-OE2 3.44Å
222	R	98.2	Very high	95.6	Very high	29 Å²	29	33.1 Å²	33.1	11%	0.109	18%	0.181	C	C	.	.			trans	-74.1	127.6	-173.3	-173	-178.8	-64.7	150.1	4.8	111.7	I215 V216 S217 T218 R219 V226 I227 W239	I215-R222 VanDerWaalsContact CG2-CZ 3.46Å; V216-R222 PolarHBondContact O-NE 3.26Å; S217-R222 PolarHBondContact O-NE 3.4Å; S217-R222 PolarHBondContact O-NH2 2.74Å; T218-R222 PolarHBondContact O-N 3.41Å; R219-R222 PolarHBondContact O-N 3.49Å; R222-V226 HydrophobicContact CG-CB 3.76Å; R222-V226 HydrophobicContact CG-CG1 3.76Å; R222-I227 HydrophobicContact CG-CG1 3.93Å; R222-W239 PolarHBondContact O-NE1 3.42Å
223	A	98.2	Very high	95.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.			trans	-69.7	151.2	179.2	0	0	0	0	0	113.1	Y221 E225 V226 I227 C236 W239	Y221-A223 PolarHBondContact O-N 3.1Å; A223-E225 VanDerWaalsContact C-N 3.34Å; A223-E225 WeakPolarHBondContact CB-OE1 3.47Å; A223-E225 VanDerWaalsContact CB-OE2 3.23Å; A223-E225 WeakPolarHBondContact CB-OE2 3.22Å; A223-E225 PolarHBondContact O-N 3.43Å; A223-V226 HydrophobicContact CB-CG2 4.22Å; A223-V226 WeakPolarHBondContact O-CB 3.45Å; A223-V226 PolarHBondContact O-N 3.21Å; A223-V226 VanDerWaalsContact O-N 3.07Å; A223-I227 PolarHBondContact O-N 3.44Å; A223-I227 VanDerWaalsContact O-N 3.12Å; A223-C236 HydrophobicContact CB-CB 4.13Å; A223-W239 HydrophobicContact CB-CB 3.74Å; A223-W239 HydrophobicContact CB-CD2 4.22Å; A223-W239 HydrophobicContact CB-CG 3.67Å
224	P	97.9	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-37.3	-176.9	22.4	-34.4	0	0	0	113.3	V226 I227 L228 W239 M267 Y335	P224-V226 VanDerWaalsContact C-N 3.25Å; P224-V226 PolarHBondContact O-N 3.5Å; P224-I227 PolarHBondContact O-N 3.42Å; P224-L228 VanDerWaalsContact O-CB 3.24Å; P224-L228 WeakPolarHBondContact O-CB 3.34Å; P224-L228 WeakPolarHBondContact O-CG 2.99Å; P224-L228 PolarHBondContact O-N 3.31Å; P224-W239 HydrophobicContact CG-CE3 4.13Å; P224-W239 HydrophobicContact CG-CH2 3.91Å; P224-W239 HydrophobicContact CG-CZ2 4.44Å; P224-W239 HydrophobicContact CG-CZ3 3.75Å; P224-M267 HydrophobicContact CB-SD 3.92Å; P224-M267 HydrophobicContact CG-SD 4.45Å; P224-Y335 HydrophobicContact CB-CD1 4.1Å; P224-Y335 HydrophobicContact CG-CD1 3.95Å
225	E	97.5	Very high	96.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-28.3	176.6	73.5	-79.9	-162.9	0	0	113	A223 E229 L230 G231 W232 M278 P337 R340	A223-E225 VanDerWaalsContact C-N 3.34Å; A223-E225 WeakPolarHBondContact CB-OE1 3.47Å; A223-E225 VanDerWaalsContact CB-OE2 3.23Å; A223-E225 WeakPolarHBondContact CB-OE2 3.22Å; A223-E225 PolarHBondContact O-N 3.43Å; E225-E229 PolarHBondContact O-N 3.09Å; E225-E229 VanDerWaalsContact O-N 3.11Å; E225-L230 HydrophobicContact CB-CB 4.22Å; E225-L230 PolarHBondContact O-N 3.26Å; E225-G231 VanDerWaalsContact CG-O 3.3Å; E225-G231 WeakPolarHBondContact CG-O 3.41Å; E225-W232 HydrophobicContact CG-CB 4.22Å; E225-M278 HydrophobicContact CB-CE 4.31Å; E225-P337 HydrophobicContact CB-CG 4.34Å; E225-P337 HydrophobicContact CG-CB 4.45Å; E225-P337 HydrophobicContact CG-CG 4.2Å; E225-R340 VanDerWaalsContact CD-NH1 3.3Å; E225-R340 IonicContact OE1-CZ 2.73Å; E225-R340 IonicContact OE1-NH1 3.77Å; E225-R340 PolarHBondContact OE1-NH1 3.04Å; E225-R340 IonicContact OE1-NH2 2.68Å; E225-R340 IonicContact OE2-CZ 3.84Å; E225-R340 IonicContact OE2-NH1 3.65Å; E225-R340 PolarHBondContact OE2-NH1 3.48Å; E225-R340 IonicContact OE2-NH2 2.89Å; E225-R340 PolarHBondContact OE2-NH2 3Å
226	V	97.4	Very high	97	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-73.6	-45.7	172.7	-175.9	0	0	0	0	109.6	I215 V216 R222 A223 P224 L228 E229 W232 C236	I215-V226 WeakPolarHBondContact CD1-O 3.39Å; V216-V226 HydrophobicContact CG2-CG1 3.94Å; V216-V226 HydrophobicContact CG2-CG2 4.14Å; R222-V226 HydrophobicContact CG-CB 3.76Å; R222-V226 HydrophobicContact CG-CG1 3.76Å; A223-V226 HydrophobicContact CB-CG2 4.22Å; A223-V226 WeakPolarHBondContact O-CB 3.45Å; A223-V226 PolarHBondContact O-N 3.21Å; A223-V226 VanDerWaalsContact O-N 3.07Å; P224-V226 VanDerWaalsContact C-N 3.25Å; P224-V226 PolarHBondContact O-N 3.5Å; V226-L228 VanDerWaalsContact C-N 3.26Å; V226-L228 PolarHBondContact O-N 3.21Å; V226-E229 PolarHBondContact O-N 3.11Å; V226-W232 HydrophobicContact CG2-CB 3.82Å; V226-W232 HydrophobicContact CG2-CG 3.95Å; V226-C236 HydrophobicContact CG2-CB 4.19Å
227	I	96.8	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-40.6	175.8	-62.7	170	0	0	0	110.7	R222 A223 P224 E229 D260 H263 L264 M267 K284 M286	R222-I227 HydrophobicContact CG-CG1 3.93Å; A223-I227 PolarHBondContact O-N 3.44Å; A223-I227 VanDerWaalsContact O-N 3.12Å; P224-I227 PolarHBondContact O-N 3.42Å; I227-E229 VanDerWaalsContact C-N 3.31Å; I227-D260 HydrophobicContact CG2-CB 3.84Å; I227-H263 HydrophobicContact CD1-CB 4.2Å; I227-H263 VanDerWaalsContact CD1-ND1 3.27Å; I227-H263 WeakPolarHBondContact CD1-ND1 3.33Å; I227-L264 HydrophobicContact CD1-CD2 4.45Å; I227-L264 HydrophobicContact CG2-CD1 4.16Å; I227-L264 HydrophobicContact CG2-CD2 4.19Å; I227-L264 HydrophobicContact CG2-CG 4.12Å; I227-M267 HydrophobicContact CD1-CE 3.45Å; I227-M267 VanDerWaalsContact CD1-CE 3.45Å; I227-K284 VanDerWaalsContact O-CD 3.29Å; I227-K284 WeakPolarHBondContact O-CD 3.26Å; I227-K284 WeakPolarHBondContact O-CE 3.41Å; I227-K284 PolarHBondContact O-NZ 2.97Å; I227-M286 HydrophobicContact CG2-CE 4.25Å
228	L	95.8	Very high	97.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.4	-176.8	-65.2	177.4	0	0	0	114	P224 V226 L230 L264 L274 M278 S282 M286 F287	P224-L228 VanDerWaalsContact O-CB 3.24Å; P224-L228 WeakPolarHBondContact O-CB 3.34Å; P224-L228 WeakPolarHBondContact O-CG 2.99Å; P224-L228 PolarHBondContact O-N 3.31Å; V226-L228 VanDerWaalsContact C-N 3.26Å; V226-L228 PolarHBondContact O-N 3.21Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 HydrophobicContact CB-CD1 3.81Å; L228-L230 HydrophobicContact CB-CD2 4.39Å; L228-L230 HydrophobicContact CB-CG 3.64Å; L228-L230 HydrophobicContact CD1-CD1 3.94Å; L228-L230 PolarHBondContact O-N 3.36Å; L228-L264 HydrophobicContact CD2-CD1 3.79Å; L228-L264 HydrophobicContact CD2-CD2 4.44Å; L228-L274 HydrophobicContact CD1-CD1 3.91Å; L228-L274 HydrophobicContact CD1-CD2 4.1Å; L228-M278 HydrophobicContact CD1-CB 4.19Å; L228-M278 HydrophobicContact CD1-CE 4.26Å; L228-S282 PolarHBondContact O-OG 3.47Å; L228-M286 HydrophobicContact CD2-CE 4.02Å; L228-F287 HydrophobicContact CD2-CE2 3.36Å; L228-F287 HydrophobicContact CD2-CZ 3.61Å
229	E	95.3	Very high	97.4	Very high	92 Å²	92	24.5 Å²	24.5	43%	0.43	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	40.6	-177.9	-63	173.3	-158.1	0	0	113.1	I215 E225 V226 I227 G231 K284	I215-E229 HydrophobicContact CD1-CG 3.85Å; E225-E229 PolarHBondContact O-N 3.09Å; E225-E229 VanDerWaalsContact O-N 3.11Å; V226-E229 PolarHBondContact O-N 3.11Å; I227-E229 VanDerWaalsContact C-N 3.31Å; E229-G231 VanDerWaalsContact C-N 3.32Å; E229-K284 WeakPolarHBondContact OE1-CE 3.5Å; E229-K284 IonicContact OE1-NZ 3.96Å
230	L	94.9	Very high	97.5	Very high	58 Å²	58	20.7 Å²	20.7	30%	0.304	11%	0.106	S	C	.	.	S	Bend	trans	-91.1	4.6	-178.4	-58.6	179.5	0	0	0	113.6	E225 L228 M278 K281	E225-L230 HydrophobicContact CB-CB 4.22Å; E225-L230 PolarHBondContact O-N 3.26Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 HydrophobicContact CB-CD1 3.81Å; L228-L230 HydrophobicContact CB-CD2 4.39Å; L228-L230 HydrophobicContact CB-CG 3.64Å; L228-L230 HydrophobicContact CD1-CD1 3.94Å; L228-L230 PolarHBondContact O-N 3.36Å; L230-M278 HydrophobicContact CD1-CB 3.8Å; L230-M278 HydrophobicContact CD1-CE 3.85Å; L230-M278 HydrophobicContact CD1-CG 4.1Å; L230-K281 HydrophobicContact CD2-CB 3.62Å
231	G	95.3	Very high	97.6	Very high	22 Å²	22	17.7 Å²	17.7	23%	0.227	9%	0.092	C	C	.	.			trans	86.7	150.2	-169	0	0	0	0	0	112.3	Q212 E225 E229	Q212-G231 VanDerWaalsContact O-CA 3.24Å; Q212-G231 WeakPolarHBondContact O-CA 3.43Å; E225-G231 VanDerWaalsContact CG-O 3.3Å; E225-G231 WeakPolarHBondContact CG-O 3.41Å; E229-G231 VanDerWaalsContact C-N 3.32Å
232	W	97.4	Very high	97.6	Very high	21 Å²	21	17.4 Å²	17.4	8%	0.08	9%	0.091	C	C	.	.			trans	-140.8	161.1	179.2	54.9	-98.9	0	0	0	112	V167 T169 V206 Q212 A214 V216 E225 V226 C236	V167-W232 HydrophobicContact CB-CZ3 4.38Å; V167-W232 HydrophobicContact CG1-CE3 4.45Å; V167-W232 HydrophobicContact CG1-CZ3 4.2Å; T169-W232 HydrophobicContact CG2-CE3 4.33Å; T169-W232 HydrophobicContact CG2-CH2 3.61Å; T169-W232 HydrophobicContact CG2-CZ3 3.48Å; T169-W232 VanDerWaalsContact CG2-CZ3 3.48Å; V206-W232 HydrophobicContact CG2-CH2 3.81Å; V206-W232 HydrophobicContact CG2-CZ3 4.05Å; Q212-W232 HydrophobicContact CB-CD2 4.04Å; Q212-W232 HydrophobicContact CB-CE3 4.28Å; Q212-W232 HydrophobicContact CB-CH2 4.14Å; Q212-W232 HydrophobicContact CB-CZ2 3.87Å; Q212-W232 HydrophobicContact CB-CZ3 4.33Å; Q212-W232 HydrophobicContact CG-CH2 4.48Å; Q212-W232 PolarHBondContact O-N 2.92Å; Q212-W232 VanDerWaalsContact O-N 3.17Å; A214-W232 PolarHBondContact O-NE1 3.32Å; V216-W232 HydrophobicContact CB-CZ2 4.29Å; V216-W232 HydrophobicContact CG1-CH2 3.98Å; V216-W232 HydrophobicContact CG1-CZ2 3.37Å; V216-W232 HydrophobicContact CG2-CD2 4.01Å; V216-W232 HydrophobicContact CG2-CG 4.36Å; V216-W232 HydrophobicContact CG2-CH2 4.45Å; V216-W232 HydrophobicContact CG2-CZ2 3.93Å; E225-W232 HydrophobicContact CG-CB 4.22Å; V226-W232 HydrophobicContact CG2-CB 3.82Å; V226-W232 HydrophobicContact CG2-CG 3.95Å; W232-C236 HydrophobicContact CB-CB 4.29Å
233	S	97.5	Very high	97.6	Very high	40 Å²	40	16.1 Å²	16.1	28%	0.28	9%	0.086	S	C	.	.			trans	-156.2	-156	177.5	64.7	0	0	0	0	108.2	N208 P235 C236	N208-S233 WeakPolarHBondContact OD1-CB 3.39Å; S233-P235 VanDerWaalsContact C-N 3.31Å; S233-P235 WeakPolarHBondContact O-CD 3.17Å; S233-P235 WeakPolarHBondContact OG-CD 3.3Å; S233-C236 PolarHBondContact O-N 3.31Å; S233-C236 VanDerWaalsContact O-N 3.09Å; S233-C236 PolarHBondContact O-SG 3.09Å
234	Y	97.9	Very high	97.6	Very high	71 Å²	71	16.1 Å²	16.1	28%	0.278	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.1	-42.4	177.4	-48.4	-61.8	0	0	0	117.2	H162 G165 L166 V167 N208 C236 D237	H162-Y234 HydrophobicContact CB-CD1 3.88Å; H162-Y234 HydrophobicContact CB-CE1 4.33Å; H162-Y234 HydrophobicContact CB-CG 4.37Å; H162-Y234 AromaticContact CD2-CD1 3.61Å; H162-Y234 PolarHBondContact CE1-O 3.27Å; H162-Y234 VanDerWaalsContact CE1-O 3.23Å; H162-Y234 AromaticContact CG-CD1 3.65Å; G165-Y234 WeakPolarHBondContact CA-OH 3.45Å; L166-Y234 WeakPolarHBondContact O-CE1 3.36Å; V167-Y234 HydrophobicContact CG2-CD1 3.7Å; V167-Y234 HydrophobicContact CG2-CE1 3.92Å; N208-Y234 HydrophobicContact CB-CE1 3.65Å; N208-Y234 HydrophobicContact CB-CE2 4.27Å; N208-Y234 VanDerWaalsContact CB-CZ 3.49Å; N208-Y234 VanDerWaalsContact CB-OH 3.3Å; N208-Y234 WeakPolarHBondContact CB-OH 3.3Å; N208-Y234 PolarHBondContact ND2-OH 3.44Å; Y234-C236 PolarHBondContact O-N 3.14Å; Y234-C236 VanDerWaalsContact O-N 3.09Å; Y234-D237 PolarHBondContact O-N 2.93Å; Y234-D237 VanDerWaalsContact O-N 3.14Å
235	P	98.2	Very high	97.6	Very high	25 Å²	25	16.1 Å²	16.1	16%	0.162	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-14.5	-176.9	-23.9	36.6	0	0	0	115.5	S233 D237 V238 W239 P337 R340	S233-P235 VanDerWaalsContact C-N 3.31Å; S233-P235 WeakPolarHBondContact O-CD 3.17Å; S233-P235 WeakPolarHBondContact OG-CD 3.3Å; P235-D237 VanDerWaalsContact C-N 3.32Å; P235-V238 PolarHBondContact O-N 2.93Å; P235-W239 PolarHBondContact O-N 3.48Å; P235-P337 HydrophobicContact CB-CB 3.76Å; P235-P337 HydrophobicContact CG-CB 4.12Å; P235-R340 HydrophobicContact CB-CB 4.42Å; P235-R340 WeakPolarHBondContact O-CD 3.15Å; P235-R340 PolarHBondContact O-NH1 3.3Å
236	C	98.4	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.4	-34.8	174.7	70.5	0	0	0	0	111.8	A223 V226 W232 S233 Y234 V238 W239 S240	A223-C236 HydrophobicContact CB-CB 4.13Å; V226-C236 HydrophobicContact CG2-CB 4.19Å; W232-C236 HydrophobicContact CB-CB 4.29Å; S233-C236 PolarHBondContact O-N 3.31Å; S233-C236 VanDerWaalsContact O-N 3.09Å; S233-C236 PolarHBondContact O-SG 3.09Å; Y234-C236 PolarHBondContact O-N 3.14Å; Y234-C236 VanDerWaalsContact O-N 3.09Å; C236-V238 VanDerWaalsContact C-N 3.35Å; C236-W239 PolarHBondContact O-N 2.82Å; C236-S240 PolarHBondContact O-N 2.68Å; C236-S240 VanDerWaalsContact O-N 3.12Å; C236-S240 PolarHBondContact O-OG 2.65Å
237	D	98.7	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.4	-39	174.1	-71.3	-18.6	0	0	0	110.5	V158 H162 V167 H168 T169 L171 Y234 P235 W239 S240 I241	V158-D237 HydrophobicContact CG1-CB 3.92Å; H162-D237 IonicContact CD2-OD2 3.89Å; H162-D237 IonicContact CE1-OD2 3.72Å; H162-D237 IonicContact NE2-OD2 3.66Å; H162-D237 PolarHBondContact NE2-OD2 3.09Å; V167-D237 WeakPolarHBondContact CG1-OD2 3.42Å; H168-D237 PolarHBondContact N-OD2 3.18Å; T169-D237 WeakPolarHBondContact CA-OD1 3.41Å; T169-D237 PolarHBondContact N-OD1 2.83Å; L171-D237 HydrophobicContact CD1-CB 3.65Å; Y234-D237 PolarHBondContact O-N 2.93Å; Y234-D237 VanDerWaalsContact O-N 3.14Å; P235-D237 VanDerWaalsContact C-N 3.32Å; D237-W239 VanDerWaalsContact C-N 3.31Å; D237-W239 PolarHBondContact O-N 3.17Å; D237-S240 WeakPolarHBondContact O-CB 3.5Å; D237-S240 PolarHBondContact O-N 2.86Å; D237-S240 VanDerWaalsContact O-N 3.13Å; D237-I241 VanDerWaalsContact O-CG1 3.27Å; D237-I241 WeakPolarHBondContact O-CG1 3.37Å; D237-I241 PolarHBondContact O-N 3.14Å
238	V	98.7	Very high	97.6	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-42.6	176.9	-176.5	0	0	0	0	111.4	P235 C236 I241 G242 M332 R340 T341 L343	P235-V238 PolarHBondContact O-N 2.93Å; C236-V238 VanDerWaalsContact C-N 3.35Å; V238-I241 PolarHBondContact O-N 3.09Å; V238-G242 PolarHBondContact O-N 2.96Å; V238-M332 HydrophobicContact CG1-CB 3.98Å; V238-M332 HydrophobicContact CG1-CG 3.84Å; V238-R340 HydrophobicContact CG1-CB 4.47Å; V238-T341 HydrophobicContact CG1-CG2 4.49Å; V238-L343 HydrophobicContact CG1-CD2 4.47Å; V238-L343 HydrophobicContact CG2-CD1 4.49Å; V238-L343 HydrophobicContact CG2-CD2 4.1Å; V238-L343 HydrophobicContact CG2-CG 3.95Å
239	W	98.8	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-48	173.8	178.4	-77.8	0	0	0	111.4	Y221 R222 A223 P224 P235 C236 D237 I241 G242 C243 F255 M267 L271 L333	Y221-W239 VanDerWaalsContact O-CD1 3.31Å; R222-W239 PolarHBondContact O-NE1 3.42Å; A223-W239 HydrophobicContact CB-CB 3.74Å; A223-W239 HydrophobicContact CB-CD2 4.22Å; A223-W239 HydrophobicContact CB-CG 3.67Å; P224-W239 HydrophobicContact CG-CE3 4.13Å; P224-W239 HydrophobicContact CG-CH2 3.91Å; P224-W239 HydrophobicContact CG-CZ2 4.44Å; P224-W239 HydrophobicContact CG-CZ3 3.75Å; P235-W239 PolarHBondContact O-N 3.48Å; C236-W239 PolarHBondContact O-N 2.82Å; D237-W239 VanDerWaalsContact C-N 3.31Å; D237-W239 PolarHBondContact O-N 3.17Å; W239-I241 VanDerWaalsContact C-N 3.27Å; W239-I241 PolarHBondContact O-N 3.18Å; W239-G242 PolarHBondContact O-N 3.23Å; W239-C243 PolarHBondContact O-N 3.2Å; W239-C243 VanDerWaalsContact O-N 3.08Å; W239-F255 HydrophobicContact CZ2-CE2 4Å; W239-F255 HydrophobicContact CZ2-CZ 4.47Å; W239-M267 HydrophobicContact CH2-CE 4.35Å; W239-M267 HydrophobicContact CH2-CG 4.28Å; W239-M267 HydrophobicContact CH2-SD 3.88Å; W239-M267 HydrophobicContact CZ2-CE 3.57Å; W239-M267 HydrophobicContact CZ2-CG 4.06Å; W239-M267 HydrophobicContact CZ2-SD 3.69Å; W239-L271 HydrophobicContact CH2-CD1 3.38Å; W239-L271 HydrophobicContact CZ2-CD1 4.25Å; W239-L271 HydrophobicContact CZ3-CD1 3.97Å; W239-L333 HydrophobicContact CD2-CD2 3.62Å; W239-L333 HydrophobicContact CE3-CB 4.33Å; W239-L333 HydrophobicContact CE3-CD2 3.82Å; W239-L333 HydrophobicContact CG-CD2 4Å; W239-L333 HydrophobicContact CH2-CD2 4.47Å; W239-L333 HydrophobicContact CZ2-CD2 4.26Å; W239-L333 HydrophobicContact CZ3-CB 4.17Å; W239-L333 HydrophobicContact CZ3-CD2 4.26Å; W239-L333 WeakPolarHBondContact CZ3-O 3.37Å; W239-L333 WeakPolarHBondContact O-CD2 3.45Å
240	S	98.8	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.5	-43.8	178.9	-54.8	0	0	0	0	111.1	Y221 C236 D237 C243 I244	Y221-S240 PolarHBondContact O-OG 3.31Å; Y221-S240 VanDerWaalsContact O-OG 3.04Å; C236-S240 PolarHBondContact O-N 2.68Å; C236-S240 VanDerWaalsContact O-N 3.12Å; C236-S240 PolarHBondContact O-OG 2.65Å; D237-S240 WeakPolarHBondContact O-CB 3.5Å; D237-S240 PolarHBondContact O-N 2.86Å; D237-S240 VanDerWaalsContact O-N 3.13Å; S240-C243 WeakPolarHBondContact O-CB 3.43Å; S240-C243 PolarHBondContact O-N 3.13Å; S240-I244 VanDerWaalsContact O-CG1 3.28Å; S240-I244 WeakPolarHBondContact O-CG1 3.16Å; S240-I244 PolarHBondContact O-N 3.43Å
241	I	98.8	Very high	97.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.7	-45.2	175.4	-66.8	166.5	0	0	0	111.2	L154 V158 L171 D237 V238 W239 C243 I244 I245 M332 L343	L154-I241 HydrophobicContact CD1-CG1 4.36Å; L154-I241 HydrophobicContact CD2-CB 4.34Å; L154-I241 HydrophobicContact CD2-CG1 3.92Å; L154-I241 HydrophobicContact CD2-CG2 4Å; L154-I241 HydrophobicContact CG-CD1 4.34Å; L154-I241 HydrophobicContact CG-CG1 3.95Å; L154-I241 HydrophobicContact CG-CG2 4.38Å; V158-I241 HydrophobicContact CB-CD1 4.02Å; V158-I241 HydrophobicContact CG1-CD1 4.09Å; V158-I241 HydrophobicContact CG2-CD1 4.11Å; L171-I241 HydrophobicContact CD1-CD1 4.1Å; L171-I241 HydrophobicContact CD1-CG1 3.85Å; D237-I241 VanDerWaalsContact O-CG1 3.27Å; D237-I241 WeakPolarHBondContact O-CG1 3.37Å; D237-I241 PolarHBondContact O-N 3.14Å; V238-I241 PolarHBondContact O-N 3.09Å; W239-I241 VanDerWaalsContact C-N 3.27Å; W239-I241 PolarHBondContact O-N 3.18Å; I241-C243 VanDerWaalsContact C-N 3.29Å; I241-C243 PolarHBondContact O-N 3.4Å; I241-I244 PolarHBondContact O-N 3.39Å; I241-I244 VanDerWaalsContact O-N 3.15Å; I241-I245 HydrophobicContact CG2-CD1 3.67Å; I241-I245 HydrophobicContact CG2-CG1 4.12Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.3Å; I241-I245 PolarHBondContact O-N 3.37Å; I241-M332 HydrophobicContact CG2-CE 3.97Å; I241-M332 HydrophobicContact CG2-SD 3.98Å; I241-L343 HydrophobicContact CD1-CD1 3.82Å; I241-L343 HydrophobicContact CD1-CD2 3.82Å; I241-L343 HydrophobicContact CD1-CG 4.48Å
242	G	98.4	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56.9	-41.7	176.2	0	0	0	0	0	113	V238 W239 Y246	V238-G242 PolarHBondContact O-N 2.96Å; W239-G242 PolarHBondContact O-N 3.23Å; G242-Y246 PolarHBondContact O-N 3.3Å
243	C	98.5	Very high	97.5	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-43.9	174.1	-68	0	0	0	0	112.4	Y221 W239 S240 I241 Y246 E247	Y221-C243 HydrophobicContact CD1-CB 3.79Å; W239-C243 PolarHBondContact O-N 3.2Å; W239-C243 VanDerWaalsContact O-N 3.08Å; S240-C243 WeakPolarHBondContact O-CB 3.43Å; S240-C243 PolarHBondContact O-N 3.13Å; I241-C243 VanDerWaalsContact C-N 3.29Å; I241-C243 PolarHBondContact O-N 3.4Å; C243-Y246 PolarHBondContact O-N 3.45Å; C243-E247 PolarHBondContact O-N 3.13Å
244	I	98.6	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-48.8	177.6	-69.4	163.3	0	0	0	110.6	L154 L171 P173 M176 Y221 S240 I241 Y246 E247 L248	L154-I244 HydrophobicContact CD2-CB 4.4Å; L154-I244 HydrophobicContact CD2-CD1 4.16Å; L154-I244 HydrophobicContact CD2-CG2 3.96Å; L171-I244 HydrophobicContact CB-CD1 4.02Å; P173-I244 HydrophobicContact CG-CG1 4.36Å; P173-I244 HydrophobicContact CG-CG2 4.38Å; M176-I244 HydrophobicContact SD-CD1 4.44Å; M176-I244 HydrophobicContact SD-CG2 3.9Å; Y221-I244 HydrophobicContact CD1-CG1 3.89Å; Y221-I244 HydrophobicContact CE1-CG1 3.94Å; S240-I244 VanDerWaalsContact O-CG1 3.28Å; S240-I244 WeakPolarHBondContact O-CG1 3.16Å; S240-I244 PolarHBondContact O-N 3.43Å; I241-I244 PolarHBondContact O-N 3.39Å; I241-I244 VanDerWaalsContact O-N 3.15Å; I244-Y246 VanDerWaalsContact C-N 3.27Å; I244-Y246 PolarHBondContact O-N 2.92Å; I244-E247 WeakPolarHBondContact O-CA 3.24Å; I244-E247 WeakPolarHBondContact O-CB 3.46Å; I244-E247 PolarHBondContact O-N 3.12Å; I244-L248 HydrophobicContact CG2-CD1 4.2Å; I244-L248 HydrophobicContact CG2-CG 4.29Å; I244-L248 WeakPolarHBondContact O-CG 3.48Å; I244-L248 PolarHBondContact O-N 2.97Å
245	I	98.3	Very high	97.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.7	-41.1	-179.1	-67.1	174.1	0	0	0	111.1	V147 A151 I241 L248 L249 L325 I329 M332	V147-I245 HydrophobicContact CG1-CG2 4.31Å; A151-I245 HydrophobicContact CB-CD1 3.81Å; A151-I245 HydrophobicContact CB-CG1 3.72Å; I241-I245 HydrophobicContact CG2-CD1 3.67Å; I241-I245 HydrophobicContact CG2-CG1 4.12Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.3Å; I241-I245 PolarHBondContact O-N 3.37Å; I245-L248 PolarHBondContact O-N 2.88Å; I245-L249 PolarHBondContact O-N 3.3Å; I245-L325 HydrophobicContact CG2-CD1 3.41Å; I245-L325 VanDerWaalsContact CG2-CD1 3.41Å; I245-L325 HydrophobicContact CG2-CG 4.31Å; I245-I329 HydrophobicContact CB-CD1 4.48Å; I245-I329 HydrophobicContact CB-CG1 4.32Å; I245-I329 HydrophobicContact CG2-CD1 3.89Å; I245-I329 HydrophobicContact CG2-CG1 3.93Å; I245-M332 HydrophobicContact CD1-CE 3.97Å; I245-M332 HydrophobicContact CD1-SD 3.82Å
246	Y	97.4	Very high	96.9	Very high	14 Å²	14	14.6 Å²	14.6	6%	0.055	8%	0.075	C	C	.	.	H	α-helix	trans	-62.1	-44.8	174	178.3	-84.8	0	0	0	112	G242 C243 I244 L248 L249 K250 M254 R314 F326	G242-Y246 PolarHBondContact O-N 3.3Å; C243-Y246 PolarHBondContact O-N 3.45Å; I244-Y246 VanDerWaalsContact C-N 3.27Å; I244-Y246 PolarHBondContact O-N 2.92Å; Y246-L248 PolarHBondContact O-N 2.89Å; Y246-L249 WeakPolarHBondContact O-CB 3.14Å; Y246-L249 PolarHBondContact O-N 3.4Å; Y246-L249 VanDerWaalsContact O-N 3.15Å; Y246-K250 HydrophobicContact CD1-CB 4.39Å; Y246-K250 HydrophobicContact CD1-CG 4.2Å; Y246-K250 HydrophobicContact CD2-CG 4.38Å; Y246-K250 HydrophobicContact CE1-CB 4.01Å; Y246-K250 HydrophobicContact CE1-CG 3.79Å; Y246-K250 HydrophobicContact CE2-CG 4.01Å; Y246-K250 HydrophobicContact CG-CG 4.49Å; Y246-K250 WeakPolarHBondContact O-CB 3.44Å; Y246-K250 PolarHBondContact O-N 3.42Å; Y246-M254 VanDerWaalsContact CB-CE 3.46Å; Y246-M254 HydrophobicContact CD1-CB 3.52Å; Y246-M254 HydrophobicContact CD1-CE 4.07Å; Y246-M254 HydrophobicContact CD1-CG 4.07Å; Y246-M254 HydrophobicContact CD2-CE 3.3Å; Y246-M254 HydrophobicContact CE1-CB 3.86Å; Y246-M254 HydrophobicContact CE1-CG 4.15Å; Y246-M254 HydrophobicContact CE2-CE 3.99Å; Y246-M254 HydrophobicContact CG-CB 4.02Å; Y246-M254 HydrophobicContact CG-CE 3.33Å; Y246-M254 HydrophobicContact CG-CG 4.28Å; Y246-R314 PolarHBondContact OH-NH2 3.33Å; Y246-F326 HydrophobicContact CD2-CE1 4.14Å; Y246-F326 HydrophobicContact CE2-CE1 4.26Å
247	E	97.5	Very high	96.5	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-62	-42.4	179.3	-179.6	169.5	-176.3	0	0	111.7	M134 Y221 C243 I244 L249 K250 G251 V252	M134-E247 HydrophobicContact CE-CG 4.25Å; M134-E247 HydrophobicContact SD-CG 4.41Å; Y221-E247 VanDerWaalsContact CE1-OE2 3.25Å; Y221-E247 WeakPolarHBondContact CE1-OE2 3.4Å; Y221-E247 PolarHBondContact OH-OE2 3.44Å; C243-E247 PolarHBondContact O-N 3.13Å; I244-E247 WeakPolarHBondContact O-CA 3.24Å; I244-E247 WeakPolarHBondContact O-CB 3.46Å; I244-E247 PolarHBondContact O-N 3.12Å; E247-L249 VanDerWaalsContact C-N 3.25Å; E247-L249 PolarHBondContact O-N 3.39Å; E247-K250 PolarHBondContact O-N 3.2Å; E247-G251 WeakPolarHBondContact O-CA 3.33Å; E247-G251 PolarHBondContact O-N 2.92Å; E247-V252 WeakPolarHBondContact CA-O 3.23Å
248	L	97.5	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-38.5	174.4	-61.7	176.8	0	0	0	112.2	V130 M134 Y142 V147 I150 I244 I245 Y246	V130-L248 HydrophobicContact CG1-CD2 3.44Å; V130-L248 VanDerWaalsContact CG1-CD2 3.44Å; M134-L248 HydrophobicContact SD-CD2 4.1Å; Y142-L248 HydrophobicContact CD2-CB 4.1Å; Y142-L248 HydrophobicContact CD2-CD2 3.69Å; Y142-L248 HydrophobicContact CD2-CG 4.48Å; Y142-L248 HydrophobicContact CE2-CD2 3.55Å; Y142-L248 PolarHBondContact N-O 3.04Å; Y142-L248 VanDerWaalsContact N-O 3.07Å; V147-L248 HydrophobicContact CG1-CB 4.24Å; V147-L248 HydrophobicContact CG2-CB 4.1Å; I150-L248 HydrophobicContact CB-CD1 4.21Å; I150-L248 HydrophobicContact CG2-CD1 3.62Å; I244-L248 HydrophobicContact CG2-CD1 4.2Å; I244-L248 HydrophobicContact CG2-CG 4.29Å; I244-L248 WeakPolarHBondContact O-CG 3.48Å; I244-L248 PolarHBondContact O-N 2.97Å; I245-L248 PolarHBondContact O-N 2.88Å; Y246-L248 PolarHBondContact O-N 2.89Å
249	L	95.4	Very high	95.8	Very high	18 Å²	18	24.8 Å²	24.8	9%	0.094	12%	0.122	C	C	.	.	H	α-helix	trans	-74.1	-29.2	179.9	-179.8	68.2	0	0	0	113.3	P141 M144 I245 Y246 E247 L325 F326	P141-L249 WeakPolarHBondContact CB-O 3.37Å; M144-L249 HydrophobicContact CE-CD1 3.62Å; M144-L249 HydrophobicContact SD-CD1 4.42Å; I245-L249 PolarHBondContact O-N 3.3Å; Y246-L249 WeakPolarHBondContact O-CB 3.14Å; Y246-L249 PolarHBondContact O-N 3.4Å; Y246-L249 VanDerWaalsContact O-N 3.15Å; E247-L249 VanDerWaalsContact C-N 3.25Å; E247-L249 PolarHBondContact O-N 3.39Å; L249-L325 HydrophobicContact CB-CD2 4.37Å; L249-L325 HydrophobicContact CD1-CD2 3.94Å; L249-L325 HydrophobicContact CD2-CD2 3.69Å; L249-L325 HydrophobicContact CG-CD2 4.2Å; L249-F326 HydrophobicContact CD2-CE1 3.99Å; L249-F326 HydrophobicContact CD2-CE2 4.26Å; L249-F326 HydrophobicContact CD2-CZ 3.67Å
250	K	94.3	Very high	95.7	Very high	77 Å²	77	26.4 Å²	26.4	34%	0.335	13%	0.131	S	C	.	.	H	α-helix	trans	-112.5	-12.7	-171.7	-65	-59.9	-174	178.8	0	114.4	Y246 E247 V252	Y246-K250 HydrophobicContact CD1-CB 4.39Å; Y246-K250 HydrophobicContact CD1-CG 4.2Å; Y246-K250 HydrophobicContact CD2-CG 4.38Å; Y246-K250 HydrophobicContact CE1-CB 4.01Å; Y246-K250 HydrophobicContact CE1-CG 3.79Å; Y246-K250 HydrophobicContact CE2-CG 4.01Å; Y246-K250 HydrophobicContact CG-CG 4.49Å; Y246-K250 WeakPolarHBondContact O-CB 3.44Å; Y246-K250 PolarHBondContact O-N 3.42Å; E247-K250 PolarHBondContact O-N 3.2Å; K250-V252 HydrophobicContact CB-CG2 4.18Å; K250-V252 PolarHBondContact O-N 3.39Å
251	G	94.6	Very high	95.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	73.4	-0.7	-174.4	0	0	0	0	0	114.2	F139 E247	F139-G251 WeakPolarHBondContact CB-O 3.27Å; F139-G251 WeakPolarHBondContact CD1-O 3.29Å; F139-G251 WeakPolarHBondContact O-CA 3.43Å; E247-G251 WeakPolarHBondContact O-CA 3.33Å; E247-G251 PolarHBondContact O-N 2.92Å
252	V	94.4	Very high	95.4	Very high	65 Å²	65	29 Å²	29	39%	0.394	14%	0.144	S	C	.	.	S	Bend	trans	-137.9	145.5	-176.9	-64.6	0	0	0	0	110.9	E247 K250	E247-V252 WeakPolarHBondContact CA-O 3.23Å; K250-V252 HydrophobicContact CB-CG2 4.18Å; K250-V252 PolarHBondContact O-N 3.39Å
253	P	95.9	Very high	95.3	Very high	32 Å²	32	29 Å²	29	21%	0.208	14%	0.144	C	C	.	.			trans	-55.4	143.5	176.1	-26	33.3	0	0	0	112.2	F255 Q256	P253-F255 VanDerWaalsContact C-N 3.3Å; P253-F255 PolarHBondContact O-N 2.89Å; P253-Q256 HydrophobicContact CB-CG 4.48Å
254	M	94.6	Very high	95.3	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.02	14%	0.143	C	C	.	.	S	Bend	trans	-61.2	-40.1	177.5	-175.7	-179.7	-75.8	0	0	112.2	Y246 V270 I329 L333	Y246-M254 VanDerWaalsContact CB-CE 3.46Å; Y246-M254 HydrophobicContact CD1-CB 3.52Å; Y246-M254 HydrophobicContact CD1-CE 4.07Å; Y246-M254 HydrophobicContact CD1-CG 4.07Å; Y246-M254 HydrophobicContact CD2-CE 3.3Å; Y246-M254 HydrophobicContact CE1-CB 3.86Å; Y246-M254 HydrophobicContact CE1-CG 4.15Å; Y246-M254 HydrophobicContact CE2-CE 3.99Å; Y246-M254 HydrophobicContact CG-CB 4.02Å; Y246-M254 HydrophobicContact CG-CE 3.33Å; Y246-M254 HydrophobicContact CG-CG 4.28Å; M254-V270 HydrophobicContact SD-CG1 4.25Å; M254-I329 HydrophobicContact CE-CG2 3.99Å; M254-L333 HydrophobicContact CE-CD1 3.5Å; M254-L333 HydrophobicContact SD-CD1 3.55Å; M254-L333 VanDerWaalsContact SD-CD1 3.55Å
255	F	95.7	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.			trans	-123.7	102.6	-178.2	-53.5	-59.8	0	0	0	108.5	H220 W239 P253 V257 H263 M266 M267 V270	H220-F255 PolarHBondContact CD2-O 3.37Å; W239-F255 HydrophobicContact CZ2-CE2 4Å; W239-F255 HydrophobicContact CZ2-CZ 4.47Å; P253-F255 VanDerWaalsContact C-N 3.3Å; P253-F255 PolarHBondContact O-N 2.89Å; F255-V257 WeakPolarHBondContact O-CG1 3.33Å; F255-V257 PolarHBondContact O-N 3.35Å; F255-H263 AromaticContact CD2-NE2 3.43Å; F255-H263 WeakPolarHBondContact CD2-NE2 3.46Å; F255-H263 AromaticContact CG-CD2 3.87Å; F255-H263 AromaticContact CG-NE2 3.6Å; F255-M266 HydrophobicContact CB-SD 4.39Å; F255-M266 HydrophobicContact CD1-CB 3.81Å; F255-M266 HydrophobicContact CE1-CB 4.36Å; F255-M267 HydrophobicContact CE1-CG 4.2Å; F255-M267 HydrophobicContact CE2-CG 4.25Å; F255-M267 HydrophobicContact CZ-CG 3.93Å; F255-V270 HydrophobicContact CE1-CB 4.13Å; F255-V270 HydrophobicContact CE1-CG2 3.94Å
256	Q	92.3	Very high	95.2	Very high	88 Å²	88	29.2 Å²	29.2	41%	0.411	15%	0.146	S	C	.	.			trans	-84.4	96.2	172.6	-67.3	-175.1	22.8	0	0	108.9	P253 M266	P253-Q256 HydrophobicContact CB-CG 4.48Å; Q256-M266 WeakPolarHBondContact O-CE 3.3Å
257	V	89.9	Confident	95.2	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	14%	0.143	C	C	.	.			trans	-121.4	138.4	-158.8	50.9	0	0	0	0	111.9	R219 F255 E259 H263 M266	R219-V257 HydrophobicContact CB-CG1 4.32Å; R219-V257 WeakPolarHBondContact CD-O 3.34Å; R219-V257 HydrophobicContact CG-CB 4.5Å; R219-V257 HydrophobicContact CG-CG1 3.65Å; R219-V257 HydrophobicContact CG-CG2 4.1Å; F255-V257 WeakPolarHBondContact O-CG1 3.33Å; F255-V257 PolarHBondContact O-N 3.35Å; V257-E259 WeakPolarHBondContact CG2-O 3.38Å; V257-H263 HydrophobicContact CB-CB 4.39Å; V257-H263 HydrophobicContact CG2-CB 3.41Å; V257-H263 VanDerWaalsContact CG2-CB 3.41Å; V257-M266 HydrophobicContact CB-SD 4.42Å
258	H	88.8	Confident	95.1	Very high	148 Å²	148	30.6 Å²	30.6	69%	0.685	15%	0.153	S	C	*	.	S	Bend	trans	-112.8	-24.9	174.3	-58.8	-61.7	0	0	0	114.2	R219	R219-H258 VanDerWaalsContact CZ-O 3.27Å; R219-H258 PolarHBondContact NE-O 3.49Å
259	E	94.2	Very high	95	Very high	66 Å²	66	35 Å²	35	31%	0.308	17%	0.169	S	C	.	.	S	Bend	trans	-143.4	166	179	76	-176.3	-164	0	0	113	R219 V257 E262 H263 R300	R219-E259 VanDerWaalsContact NH1-C 3.32Å; R219-E259 VanDerWaalsContact NH1-CA 3.32Å; V257-E259 WeakPolarHBondContact CG2-O 3.38Å; E259-E262 HydrophobicContact CG-CB 3.68Å; E259-H263 WeakPolarHBondContact O-CB 3.44Å; E259-H263 PolarHBondContact O-N 3.26Å; E259-H263 VanDerWaalsContact O-N 3.07Å; E259-R300 VanDerWaalsContact CG-NH2 3.25Å; E259-R300 IonicContact OE1-CZ 2.65Å; E259-R300 IonicContact OE1-NH1 3.75Å; E259-R300 PolarHBondContact OE1-NH1 3.3Å; E259-R300 IonicContact OE1-NH2 3.57Å; E259-R300 PolarHBondContact OE1-NH2 2.88Å; E259-R300 VanDerWaalsContact OE1-NH2 3.11Å; E259-R300 IonicContact OE2-CZ 2.68Å; E259-R300 IonicContact OE2-NH1 3.79Å; E259-R300 PolarHBondContact OE2-NH1 3.01Å; E259-R300 IonicContact OE2-NH2 3.33Å; E259-R300 PolarHBondContact OE2-NH2 3.11Å
260	D	95.8	Very high	95.1	Very high	34 Å²	34	34.3 Å²	34.3	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-41.4	-174.7	-70.7	7.3	0	0	0	113.3	R219 I227 H263 L264 K284 M286	R219-D260 IonicContact CZ-OD1 3.56Å; R219-D260 IonicContact NH1-OD1 3.86Å; R219-D260 PolarHBondContact NH1-OD1 2.96Å; I227-D260 HydrophobicContact CG2-CB 3.84Å; D260-H263 WeakPolarHBondContact O-CB 3.34Å; D260-H263 PolarHBondContact O-N 3.45Å; D260-L264 WeakPolarHBondContact O-CG 3.45Å; D260-L264 PolarHBondContact O-N 3.25Å; D260-K284 IonicContact OD2-NZ 2.75Å; D260-K284 PolarHBondContact OD2-NZ 2.96Å; D260-M286 HydrophobicContact CB-CE 4.5Å; D260-M286 HydrophobicContact CB-SD 3.92Å
261	L	95.8	Very high	95.2	Very high	43 Å²	43	32.8 Å²	32.8	23%	0.225	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-49.2	-178.4	177.1	63.8	0	0	0	111.5	H263 L264 A265 M286 L292 W294	L261-H263 VanDerWaalsContact C-N 3.29Å; L261-H263 PolarHBondContact O-N 2.94Å; L261-L264 PolarHBondContact O-N 3.08Å; L261-A265 PolarHBondContact O-N 3.44Å; L261-M286 HydrophobicContact CB-CG 4.4Å; L261-M286 HydrophobicContact CB-SD 4.05Å; L261-M286 HydrophobicContact CD1-CB 3.96Å; L261-M286 HydrophobicContact CD1-CG 4.16Å; L261-M286 HydrophobicContact CD1-SD 4.49Å; L261-L292 HydrophobicContact CD1-CD1 3.77Å; L261-L292 HydrophobicContact CD1-CD2 4.39Å; L261-L292 HydrophobicContact CD1-CG 3.88Å; L261-W294 HydrophobicContact CD2-CE3 4.22Å; L261-W294 HydrophobicContact CG-CE3 3.93Å; L261-W294 HydrophobicContact CG-CZ3 4.31Å
262	E	95.6	Very high	95.2	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-39.4	173.6	-179.9	172.9	-105	0	0	111.7	E259 L264 A265 M266 W294 R300 V304	E259-E262 HydrophobicContact CG-CB 3.68Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.34Å; E262-A265 WeakPolarHBondContact O-CB 3.47Å; E262-A265 PolarHBondContact O-N 3.4Å; E262-A265 VanDerWaalsContact O-N 3.15Å; E262-M266 HydrophobicContact CG-CE 3.6Å; E262-M266 HydrophobicContact CG-CG 4.48Å; E262-M266 HydrophobicContact CG-SD 4.3Å; E262-M266 VanDerWaalsContact O-CG 3.29Å; E262-M266 WeakPolarHBondContact O-CG 3.5Å; E262-M266 PolarHBondContact O-N 2.88Å; E262-W294 HydrophobicContact CB-CH2 3.9Å; E262-W294 HydrophobicContact CB-CZ3 3.99Å; E262-W294 HydrophobicContact CG-CH2 3.93Å; E262-R300 IonicContact OE1-CZ 3.96Å; E262-R300 IonicContact OE1-NE 3.44Å; E262-R300 PolarHBondContact OE1-NE 3.29Å; E262-R300 IonicContact OE1-NH2 2.81Å; E262-R300 PolarHBondContact OE1-NH2 3.29Å; E262-R300 VanDerWaalsContact OE1-NH2 3.1Å; E262-R300 IonicContact OE2-CZ 2.83Å; E262-R300 IonicContact OE2-NH2 3.58Å; E262-R300 PolarHBondContact OE2-NH2 2.76Å; E262-V304 HydrophobicContact CG-CG2 4.49Å
263	H	97.2	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-47.4	176.1	-155	175.7	0	0	0	111.5	R219 I227 F255 V257 E259 D260 L261 A265 M266 M267	R219-H263 PolarHBondContact O-CE1 3.26Å; I227-H263 HydrophobicContact CD1-CB 4.2Å; I227-H263 VanDerWaalsContact CD1-ND1 3.27Å; I227-H263 WeakPolarHBondContact CD1-ND1 3.33Å; F255-H263 AromaticContact CD2-NE2 3.43Å; F255-H263 WeakPolarHBondContact CD2-NE2 3.46Å; F255-H263 AromaticContact CG-CD2 3.87Å; F255-H263 AromaticContact CG-NE2 3.6Å; V257-H263 HydrophobicContact CB-CB 4.39Å; V257-H263 HydrophobicContact CG2-CB 3.41Å; V257-H263 VanDerWaalsContact CG2-CB 3.41Å; E259-H263 WeakPolarHBondContact O-CB 3.44Å; E259-H263 PolarHBondContact O-N 3.26Å; E259-H263 VanDerWaalsContact O-N 3.07Å; D260-H263 WeakPolarHBondContact O-CB 3.34Å; D260-H263 PolarHBondContact O-N 3.45Å; L261-H263 VanDerWaalsContact C-N 3.29Å; L261-H263 PolarHBondContact O-N 2.94Å; H263-A265 VanDerWaalsContact C-N 3.3Å; H263-A265 PolarHBondContact O-N 3.07Å; H263-M266 WeakPolarHBondContact O-CB 3.26Å; H263-M266 PolarHBondContact O-N 3.01Å; H263-M267 VanDerWaalsContact NE2-CE 3.33Å; H263-M267 WeakPolarHBondContact NE2-CE 3.36Å; H263-M267 WeakPolarHBondContact O-CG 3.43Å; H263-M267 PolarHBondContact O-N 3.15Å
264	L	97.3	Very high	95.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-35.2	178.1	-66.6	173.1	0	0	0	111.7	I227 L228 D260 L261 E262 M267 Q268 L274 M286 F287 L292	I227-L264 HydrophobicContact CD1-CD2 4.45Å; I227-L264 HydrophobicContact CG2-CD1 4.16Å; I227-L264 HydrophobicContact CG2-CD2 4.19Å; I227-L264 HydrophobicContact CG2-CG 4.12Å; L228-L264 HydrophobicContact CD2-CD1 3.79Å; L228-L264 HydrophobicContact CD2-CD2 4.44Å; D260-L264 WeakPolarHBondContact O-CG 3.45Å; D260-L264 PolarHBondContact O-N 3.25Å; L261-L264 PolarHBondContact O-N 3.08Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.34Å; L264-M267 HydrophobicContact CD2-SD 4.08Å; L264-M267 PolarHBondContact O-N 3.27Å; L264-Q268 WeakPolarHBondContact O-CG 3.42Å; L264-Q268 PolarHBondContact O-N 3.06Å; L264-L274 HydrophobicContact CD2-CD1 4Å; L264-M286 HydrophobicContact CD1-CE 3.33Å; L264-M286 HydrophobicContact CD1-SD 3.89Å; L264-F287 HydrophobicContact CD1-CE2 4.27Å; L264-F287 HydrophobicContact CD1-CZ 3.9Å; L264-L292 HydrophobicContact CB-CD1 3.8Å; L264-L292 HydrophobicContact CB-CD2 3.99Å; L264-L292 HydrophobicContact CD1-CD1 3.94Å
265	A	96.8	Very high	95.2	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-42	174.3	0	0	0	0	0	111.9	L261 E262 H263 Q268 R269 L292 W294	L261-A265 PolarHBondContact O-N 3.44Å; E262-A265 WeakPolarHBondContact O-CB 3.47Å; E262-A265 PolarHBondContact O-N 3.4Å; E262-A265 VanDerWaalsContact O-N 3.15Å; H263-A265 VanDerWaalsContact C-N 3.3Å; H263-A265 PolarHBondContact O-N 3.07Å; A265-Q268 PolarHBondContact O-N 3.24Å; A265-R269 PolarHBondContact O-N 2.87Å; A265-L292 HydrophobicContact CB-CD2 3.82Å; A265-W294 HydrophobicContact CB-CB 4.44Å; A265-W294 HydrophobicContact CB-CD2 3.43Å; A265-W294 VanDerWaalsContact CB-CD2 3.43Å; A265-W294 VanDerWaalsContact CB-CE2 3.44Å; A265-W294 HydrophobicContact CB-CE3 3.92Å; A265-W294 HydrophobicContact CB-CG 3.67Å; A265-W294 HydrophobicContact CB-CH2 4.33Å; A265-W294 HydrophobicContact CB-CZ2 3.91Å; A265-W294 HydrophobicContact CB-CZ3 4.34Å
266	M	97.4	Very high	95.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-45.2	173.2	-68.5	175.8	174.6	0	0	111.7	F255 Q256 V257 E262 H263 Q268 R269 V270 Y303 V304 L308	F255-M266 HydrophobicContact CB-SD 4.39Å; F255-M266 HydrophobicContact CD1-CB 3.81Å; F255-M266 HydrophobicContact CE1-CB 4.36Å; Q256-M266 WeakPolarHBondContact O-CE 3.3Å; V257-M266 HydrophobicContact CB-SD 4.42Å; E262-M266 HydrophobicContact CG-CE 3.6Å; E262-M266 HydrophobicContact CG-CG 4.48Å; E262-M266 HydrophobicContact CG-SD 4.3Å; E262-M266 VanDerWaalsContact O-CG 3.29Å; E262-M266 WeakPolarHBondContact O-CG 3.5Å; E262-M266 PolarHBondContact O-N 2.88Å; H263-M266 WeakPolarHBondContact O-CB 3.26Å; H263-M266 PolarHBondContact O-N 3.01Å; M266-Q268 VanDerWaalsContact C-N 3.33Å; M266-Q268 PolarHBondContact O-N 3.04Å; M266-R269 PolarHBondContact O-N 3.39Å; M266-V270 WeakPolarHBondContact O-CG2 3.49Å; M266-V270 PolarHBondContact O-N 3.48Å; M266-Y303 HydrophobicContact CE-CD1 4.38Å; M266-Y303 HydrophobicContact CE-CE1 3.97Å; M266-V304 HydrophobicContact CE-CG2 4Å; M266-V304 HydrophobicContact CG-CG1 4.26Å; M266-V304 HydrophobicContact CG-CG2 3.76Å; M266-L308 HydrophobicContact CB-CD1 3.49Å; M266-L308 VanDerWaalsContact CB-CD1 3.49Å; M266-L308 HydrophobicContact CG-CD1 3.54Å; M266-L308 HydrophobicContact SD-CD1 4.39Å
267	M	97.7	Very high	95.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-46.6	173.4	-68.1	179.6	-171.4	0	0	110.6	P224 I227 W239 F255 H263 L264 R269 V270 L271 Y335	P224-M267 HydrophobicContact CB-SD 3.92Å; P224-M267 HydrophobicContact CG-SD 4.45Å; I227-M267 HydrophobicContact CD1-CE 3.45Å; I227-M267 VanDerWaalsContact CD1-CE 3.45Å; W239-M267 HydrophobicContact CH2-CE 4.35Å; W239-M267 HydrophobicContact CH2-CG 4.28Å; W239-M267 HydrophobicContact CH2-SD 3.88Å; W239-M267 HydrophobicContact CZ2-CE 3.57Å; W239-M267 HydrophobicContact CZ2-CG 4.06Å; W239-M267 HydrophobicContact CZ2-SD 3.69Å; F255-M267 HydrophobicContact CE1-CG 4.2Å; F255-M267 HydrophobicContact CE2-CG 4.25Å; F255-M267 HydrophobicContact CZ-CG 3.93Å; H263-M267 VanDerWaalsContact NE2-CE 3.33Å; H263-M267 WeakPolarHBondContact NE2-CE 3.36Å; H263-M267 WeakPolarHBondContact O-CG 3.43Å; H263-M267 PolarHBondContact O-N 3.15Å; L264-M267 HydrophobicContact CD2-SD 4.08Å; L264-M267 PolarHBondContact O-N 3.27Å; M267-R269 VanDerWaalsContact C-N 3.28Å; M267-R269 PolarHBondContact O-N 3.43Å; M267-V270 PolarHBondContact O-N 3.43Å; M267-V270 VanDerWaalsContact O-N 3.15Å; M267-L271 HydrophobicContact CB-CD1 4.48Å; M267-L271 WeakPolarHBondContact O-CB 3.45Å; M267-L271 PolarHBondContact O-N 3.3Å; M267-Y335 HydrophobicContact CB-CE1 3.9Å; M267-Y335 PolarHBondContact O-OH 3.26Å; M267-Y335 HydrophobicContact SD-CE1 4.29Å
268	Q	96.4	Very high	95.6	Very high	45 Å²	45	43.2 Å²	43.2	21%	0.21	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-37.7	179.2	-74.4	-166	151.7	0	0	112.8	L264 A265 M266 G272 L274 Y335	L264-Q268 WeakPolarHBondContact O-CG 3.42Å; L264-Q268 PolarHBondContact O-N 3.06Å; A265-Q268 PolarHBondContact O-N 3.24Å; M266-Q268 VanDerWaalsContact C-N 3.33Å; M266-Q268 PolarHBondContact O-N 3.04Å; Q268-G272 VanDerWaalsContact CA-O 3.28Å; Q268-G272 WeakPolarHBondContact CA-O 3.4Å; Q268-G272 CarbonylContact O-C 3.56Å; Q268-G272 VanDerWaalsContact O-CA 3.25Å; Q268-G272 WeakPolarHBondContact O-CA 3.22Å; Q268-G272 PolarHBondContact O-N 3.21Å; Q268-L274 HydrophobicContact CG-CB 4.36Å; Q268-Y335 VanDerWaalsContact CA-OH 3.26Å; Q268-Y335 WeakPolarHBondContact CA-OH 3.4Å; Q268-Y335 PolarHBondContact N-OH 3.02Å; Q268-Y335 VanDerWaalsContact N-OH 3.11Å
269	R	95.3	Very high	95.9	Very high	92 Å²	92	36.3 Å²	36.3	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-65.4	-38.8	176.5	177.9	57.6	-179.3	141.6	-0.5	112.4	A265 M266 M267 V304 R305 L308	A265-R269 PolarHBondContact O-N 2.87Å; M266-R269 PolarHBondContact O-N 3.39Å; M267-R269 VanDerWaalsContact C-N 3.28Å; M267-R269 PolarHBondContact O-N 3.43Å; R269-V304 HydrophobicContact CB-CG1 3.85Å; R269-V304 HydrophobicContact CG-CG1 4.11Å; R269-R305 PolarHBondContact NH2-O 3.01Å; R269-L308 HydrophobicContact CG-CB 3.77Å; R269-L308 VanDerWaalsContact CZ-O 3.27Å; R269-L308 PolarHBondContact NE-O 3.44Å; R269-L308 PolarHBondContact NH2-O 3.11Å; R269-L308 VanDerWaalsContact NH2-O 3.09Å
270	V	96.4	Very high	95.8	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-84.9	-42.3	-176.6	175.9	0	0	0	0	112.4	M254 F255 M266 M267 L308 P310 L311	M254-V270 HydrophobicContact SD-CG1 4.25Å; F255-V270 HydrophobicContact CE1-CB 4.13Å; F255-V270 HydrophobicContact CE1-CG2 3.94Å; M266-V270 WeakPolarHBondContact O-CG2 3.49Å; M266-V270 PolarHBondContact O-N 3.48Å; M267-V270 PolarHBondContact O-N 3.43Å; M267-V270 VanDerWaalsContact O-N 3.15Å; V270-L308 HydrophobicContact CG2-CB 4.03Å; V270-L308 HydrophobicContact CG2-CD1 4.1Å; V270-L308 HydrophobicContact CG2-CG 4.45Å; V270-P310 CarbonylContact O-C 3.59Å; V270-P310 WeakPolarHBondContact O-CA 3.35Å; V270-L311 HydrophobicContact CG1-CB 4.01Å; V270-L311 PolarHBondContact O-N 3.37Å
271	L	96.4	Very high	95.7	Very high	45 Å²	45	44.6 Å²	44.6	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-108.9	-9.8	-167	-56.1	172.4	0	0	0	113.5	W239 M267 L311 L333 Y335	W239-L271 HydrophobicContact CH2-CD1 3.38Å; W239-L271 HydrophobicContact CZ2-CD1 4.25Å; W239-L271 HydrophobicContact CZ3-CD1 3.97Å; M267-L271 HydrophobicContact CB-CD1 4.48Å; M267-L271 WeakPolarHBondContact O-CB 3.45Å; M267-L271 PolarHBondContact O-N 3.3Å; L271-L311 HydrophobicContact CD2-CB 4.44Å; L271-L311 HydrophobicContact CD2-CD2 3.92Å; L271-L333 HydrophobicContact CD1-CB 4.2Å; L271-L333 HydrophobicContact CD2-CB 3.91Å; L271-L333 HydrophobicContact CD2-CD1 4.32Å; L271-Y335 HydrophobicContact CB-CE2 3.8Å; L271-Y335 HydrophobicContact CD1-CE1 4.41Å
272	G	95.4	Very high	95.5	Very high	34 Å²	34	43.3 Å²	43.3	35%	0.351	22%	0.224	S	C	.	.			trans	90.8	-178.2	-171.1	0	0	0	0	0	112.5	Q268 Y335	Q268-G272 VanDerWaalsContact CA-O 3.28Å; Q268-G272 WeakPolarHBondContact CA-O 3.4Å; Q268-G272 CarbonylContact O-C 3.56Å; Q268-G272 VanDerWaalsContact O-CA 3.25Å; Q268-G272 WeakPolarHBondContact O-CA 3.22Å; Q268-G272 PolarHBondContact O-N 3.21Å; G272-Y335 WeakPolarHBondContact O-CE2 3.23Å; G272-Y335 PolarHBondContact O-OH 3.36Å
273	T	94.8	Very high	95.2	Very high	118 Å²	118	52.1 Å²	52.1	72%	0.724	26%	0.262	S	S	*	.	S	Bend	trans	-61.5	135.9	-171.5	-51	0	0	0	0	112.7
274	L	95.1	Very high	94.9	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.2	134	175.7	-171.2	134.4	0	0	0	109.9	L228 L264 Q268 Q276 M278 A279 F287 Y335	L228-L274 HydrophobicContact CD1-CD1 3.91Å; L228-L274 HydrophobicContact CD1-CD2 4.1Å; L264-L274 HydrophobicContact CD2-CD1 4Å; Q268-L274 HydrophobicContact CG-CB 4.36Å; L274-Q276 PolarHBondContact O-N 3.49Å; L274-M278 HydrophobicContact CD2-CB 3.83Å; L274-A279 HydrophobicContact CD2-CB 3.85Å; L274-F287 HydrophobicContact CD2-CE1 4.08Å; L274-F287 HydrophobicContact CD2-CZ 4.15Å; L274-Y335 HydrophobicContact CB-CE1 4.34Å; L274-Y335 HydrophobicContact CD1-CD1 3.87Å; L274-Y335 HydrophobicContact CD1-CE1 3.83Å; L274-Y335 HydrophobicContact CG-CD1 4.18Å; L274-Y335 HydrophobicContact CG-CE1 4.28Å
275	P	95.7	Very high	94.6	Very high	34 Å²	34	61.2 Å²	61.2	22%	0.221	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-57.6	128.7	-178.7	-28	35.7	0	0	0	112.6	H277 M278 A279 P336	P275-H277 VanDerWaalsContact CB-CE1 3.44Å; P275-H277 WeakPolarHBondContact CB-CE1 3.44Å; P275-H277 PolarHBondContact O-N 2.91Å; P275-H277 VanDerWaalsContact O-N 3.08Å; P275-M278 HydrophobicContact CB-CG 4.46Å; P275-M278 HydrophobicContact CG-SD 4.35Å; P275-M278 WeakPolarHBondContact O-CB 3.4Å; P275-M278 PolarHBondContact O-N 2.93Å; P275-A279 PolarHBondContact O-N 2.85Å; P275-P336 HydrophobicContact CG-CG 4.12Å
276	Q	94.3	Very high	94.5	Very high	122 Å²	122	61.9 Å²	61.9	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-54.4	-36	-175.2	-70.7	-175.1	5.3	0	0	113.3	L274 M278 A279 L280	L274-Q276 PolarHBondContact O-N 3.49Å; Q276-M278 VanDerWaalsContact C-N 3.25Å; Q276-M278 PolarHBondContact O-N 3.31Å; Q276-A279 PolarHBondContact O-N 2.9Å; Q276-L280 WeakPolarHBondContact O-CB 3.49Å; Q276-L280 VanDerWaalsContact O-CG 3.26Å; Q276-L280 WeakPolarHBondContact O-CG 3.34Å; Q276-L280 PolarHBondContact O-N 3.42Å
277	H	94.4	Very high	94.3	Very high	97 Å²	97	63.2 Å²	63.2	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-27.7	178.8	74.5	-91.2	0	0	0	113.4	P275 K281	P275-H277 VanDerWaalsContact CB-CE1 3.44Å; P275-H277 WeakPolarHBondContact CB-CE1 3.44Å; P275-H277 PolarHBondContact O-N 2.91Å; P275-H277 VanDerWaalsContact O-N 3.08Å; H277-K281 WeakPolarHBondContact O-CB 3.45Å; H277-K281 WeakPolarHBondContact O-CD 3.44Å; H277-K281 WeakPolarHBondContact O-CG 3.39Å; H277-K281 PolarHBondContact O-N 3.11Å
278	M	96.1	Very high	93.9	Very high	5 Å²	5	68 Å²	68	3%	0.025	34%	0.34	C	S	.	.	H	α-helix	trans	-77.2	-44.2	173.7	-67.3	-178.2	71.3	0	0	110.4	E225 L228 L230 L274 P275 Q276 L280 K281 S282 Y335 P336	E225-M278 HydrophobicContact CB-CE 4.31Å; L228-M278 HydrophobicContact CD1-CB 4.19Å; L228-M278 HydrophobicContact CD1-CE 4.26Å; L230-M278 HydrophobicContact CD1-CB 3.8Å; L230-M278 HydrophobicContact CD1-CE 3.85Å; L230-M278 HydrophobicContact CD1-CG 4.1Å; L274-M278 HydrophobicContact CD2-CB 3.83Å; P275-M278 HydrophobicContact CB-CG 4.46Å; P275-M278 HydrophobicContact CG-SD 4.35Å; P275-M278 WeakPolarHBondContact O-CB 3.4Å; P275-M278 PolarHBondContact O-N 2.93Å; Q276-M278 VanDerWaalsContact C-N 3.25Å; Q276-M278 PolarHBondContact O-N 3.31Å; M278-L280 PolarHBondContact O-N 3.27Å; M278-K281 PolarHBondContact O-N 3.39Å; M278-S282 PolarHBondContact O-N 2.76Å; M278-Y335 WeakPolarHBondContact CE-O 3.27Å; M278-P336 HydrophobicContact SD-CB 4.5Å; M278-P336 HydrophobicContact SD-CG 4.41Å
279	A	94.8	Very high	93.5	Very high	4 Å²	4	75.8 Å²	75.8	3%	0.033	37%	0.368	C	S	.	.	H	α-helix	trans	-57.5	-47.2	176.2	0	0	0	0	0	112	L274 P275 Q276 K281 S282 F287	L274-A279 HydrophobicContact CD2-CB 3.85Å; P275-A279 PolarHBondContact O-N 2.85Å; Q276-A279 PolarHBondContact O-N 2.9Å; A279-K281 VanDerWaalsContact C-N 3.33Å; A279-K281 PolarHBondContact O-N 3.25Å; A279-S282 PolarHBondContact O-N 2.63Å; A279-F287 HydrophobicContact CB-CD1 3.45Å; A279-F287 VanDerWaalsContact CB-CD1 3.45Å; A279-F287 HydrophobicContact CB-CD2 4.35Å; A279-F287 HydrophobicContact CB-CE1 3.61Å; A279-F287 HydrophobicContact CB-CG 3.85Å; A279-F287 HydrophobicContact CB-CZ 4.15Å
280	L	93.5	Very high	93.1	Very high	122 Å²	122	71.8 Å²	71.8	64%	0.639	36%	0.356	S	S	*	.	H	α-helix	trans	-70.4	-25.1	-178.7	-67.6	172.6	0	0	0	113.8	Q276 M278	Q276-L280 WeakPolarHBondContact O-CB 3.49Å; Q276-L280 VanDerWaalsContact O-CG 3.26Å; Q276-L280 WeakPolarHBondContact O-CG 3.34Å; Q276-L280 PolarHBondContact O-N 3.42Å; M278-L280 PolarHBondContact O-N 3.27Å
281	K	93.4	Very high	92.9	Very high	152 Å²	152	80.7 Å²	80.7	66%	0.661	39%	0.39	S	S	*	.	H	α-helix	trans	-82.7	-21.5	176.6	-77.4	178.6	-179.8	-175.5	0	113.1	L230 H277 M278 A279	L230-K281 HydrophobicContact CD2-CB 3.62Å; H277-K281 WeakPolarHBondContact O-CB 3.45Å; H277-K281 WeakPolarHBondContact O-CD 3.44Å; H277-K281 WeakPolarHBondContact O-CG 3.39Å; H277-K281 PolarHBondContact O-N 3.11Å; M278-K281 PolarHBondContact O-N 3.39Å; A279-K281 VanDerWaalsContact C-N 3.33Å; A279-K281 PolarHBondContact O-N 3.25Å
282	S	92.3	Very high	92.8	Very high	15 Å²	15	79.4 Å²	79.4	11%	0.105	38%	0.383	C	S	.	.			trans	-70.3	138	-179.1	-169.6	0	0	0	0	110.5	L228 M278 A279 K284	L228-S282 PolarHBondContact O-OG 3.47Å; M278-S282 PolarHBondContact O-N 2.76Å; A279-S282 PolarHBondContact O-N 2.63Å; S282-K284 VanDerWaalsContact C-N 3.26Å; S282-K284 PolarHBondContact OG-N 2.87Å
283	K	88.3	Confident	92.8	Very high	196 Å²	196	84.3 Å²	84.3	85%	0.852	39%	0.391	S	S	*	.			trans	-83.8	-0.9	174.1	-63.1	-179.7	-178.3	175.3	0	112.9
284	K	90.4	Very high	92.8	Very high	44 Å²	44	81 Å²	81	19%	0.191	37%	0.365	C	S	.	.	S	Bend	trans	-82.3	138.9	-178	-69.2	-167.8	169.7	174.9	0	111.5	I227 E229 D260 S282 M286	I227-K284 VanDerWaalsContact O-CD 3.29Å; I227-K284 WeakPolarHBondContact O-CD 3.26Å; I227-K284 WeakPolarHBondContact O-CE 3.41Å; I227-K284 PolarHBondContact O-NZ 2.97Å; E229-K284 WeakPolarHBondContact OE1-CE 3.5Å; E229-K284 IonicContact OE1-NZ 3.96Å; D260-K284 IonicContact OD2-NZ 2.75Å; D260-K284 PolarHBondContact OD2-NZ 2.96Å; S282-K284 VanDerWaalsContact C-N 3.26Å; S282-K284 PolarHBondContact OG-N 2.87Å; K284-M286 HydrophobicContact CB-CE 3.72Å; K284-M286 HydrophobicContact CB-CG 4.29Å; K284-M286 HydrophobicContact CD-CE 3.49Å; K284-M286 VanDerWaalsContact CD-CE 3.49Å; K284-M286 HydrophobicContact CD-SD 4.49Å; K284-M286 HydrophobicContact CG-CE 4.21Å; K284-M286 PolarHBondContact O-N 3.04Å
285	N	91	Very high	92.8	Very high	147 Å²	147	85 Å²	85	79%	0.786	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	35.4	179.1	-68.3	-22.7	0	0	0	114	R293	N285-R293 PolarHBondContact O-NH1 3.18Å
286	M	94.5	Very high	92.6	Very high	19 Å²	19	89 Å²	89	9%	0.094	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-6.4	-179.2	-65.1	-173.5	-60.8	0	0	113	I227 L228 D260 L261 L264 K284 L292 R293	I227-M286 HydrophobicContact CG2-CE 4.25Å; L228-M286 HydrophobicContact CD2-CE 4.02Å; D260-M286 HydrophobicContact CB-CE 4.5Å; D260-M286 HydrophobicContact CB-SD 3.92Å; L261-M286 HydrophobicContact CB-CG 4.4Å; L261-M286 HydrophobicContact CB-SD 4.05Å; L261-M286 HydrophobicContact CD1-CB 3.96Å; L261-M286 HydrophobicContact CD1-CG 4.16Å; L261-M286 HydrophobicContact CD1-SD 4.49Å; L264-M286 HydrophobicContact CD1-CE 3.33Å; L264-M286 HydrophobicContact CD1-SD 3.89Å; K284-M286 HydrophobicContact CB-CE 3.72Å; K284-M286 HydrophobicContact CB-CG 4.29Å; K284-M286 HydrophobicContact CD-CE 3.49Å; K284-M286 VanDerWaalsContact CD-CE 3.49Å; K284-M286 HydrophobicContact CD-SD 4.49Å; K284-M286 HydrophobicContact CG-CE 4.21Å; K284-M286 PolarHBondContact O-N 3.04Å; M286-L292 HydrophobicContact CB-CD1 4.35Å; M286-R293 PolarHBondContact O-N 3.2Å
287	F	93.9	Very high	92.5	Very high	31 Å²	31	90.3 Å²	90.3	14%	0.136	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.4	-176.4	-57.9	-89.2	0	0	0	112.2	L228 L264 L274 A279 R291 L292	L228-F287 HydrophobicContact CD2-CE2 3.36Å; L228-F287 HydrophobicContact CD2-CZ 3.61Å; L264-F287 HydrophobicContact CD1-CE2 4.27Å; L264-F287 HydrophobicContact CD1-CZ 3.9Å; L274-F287 HydrophobicContact CD2-CE1 4.08Å; L274-F287 HydrophobicContact CD2-CZ 4.15Å; A279-F287 HydrophobicContact CB-CD1 3.45Å; A279-F287 VanDerWaalsContact CB-CD1 3.45Å; A279-F287 HydrophobicContact CB-CD2 4.35Å; A279-F287 HydrophobicContact CB-CE1 3.61Å; A279-F287 HydrophobicContact CB-CG 3.85Å; A279-F287 HydrophobicContact CB-CZ 4.15Å; F287-R291 CarbonylContact C-O 3.45Å; F287-R291 WeakPolarHBondContact CA-O 3.45Å; F287-L292 HydrophobicContact CD1-CB 4.42Å; F287-L292 HydrophobicContact CD1-CD1 4.13Å; F287-L292 HydrophobicContact CE1-CB 4.32Å; F287-L292 HydrophobicContact CE1-CD1 3.62Å; F287-L292 HydrophobicContact CZ-CD1 3.84Å
288	E	90.6	Very high	92.5	Very high	101 Å²	101	87.2 Å²	87.2	47%	0.472	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.4	174	179.6	166.7	-168.3	0	0	107.8	G290 R291 R293	E288-G290 PolarHBondContact O-N 3.47Å; E288-R291 PolarHBondContact N-O 3.27Å; E288-R291 PolarHBondContact O-N 2.73Å; E288-R293 HydrophobicContact CB-CG 3.49Å; E288-R293 VanDerWaalsContact CB-CG 3.49Å; E288-R293 IonicContact OE2-NE 3.76Å
289	Y	86.7	Confident	92.4	Very high	207 Å²	207	91.6 Å²	91.6	81%	0.812	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	39.5	-172.7	-49.3	-70.4	0	0	0	114.1	R291	Y289-R291 PolarHBondContact O-N 3.2Å
290	G	88	Confident	92.3	Very high	9 Å²	9	95.3 Å²	95.3	9%	0.093	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	5.6	-179.4	0	0	0	0	0	115	E288	E288-G290 PolarHBondContact O-N 3.47Å
291	R	91.2	Very high	92.4	Very high	190 Å²	190	89.6 Å²	89.6	72%	0.717	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.5	175.2	-60.1	-174.5	-178.6	-154.9	0.6	110.5	F287 E288 Y289 R293	F287-R291 CarbonylContact C-O 3.45Å; F287-R291 WeakPolarHBondContact CA-O 3.45Å; E288-R291 PolarHBondContact N-O 3.27Å; E288-R291 PolarHBondContact O-N 2.73Å; Y289-R291 PolarHBondContact O-N 3.2Å; R291-R293 PolarHBondContact O-N 3.29Å
292	L	95.2	Very high	92.4	Very high	18 Å²	18	88.4 Å²	88.4	9%	0.094	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.6	177.2	-165.2	72.7	0	0	0	110.3	L261 L264 A265 M286 F287 W294	L261-L292 HydrophobicContact CD1-CD1 3.77Å; L261-L292 HydrophobicContact CD1-CD2 4.39Å; L261-L292 HydrophobicContact CD1-CG 3.88Å; L264-L292 HydrophobicContact CB-CD1 3.8Å; L264-L292 HydrophobicContact CB-CD2 3.99Å; L264-L292 HydrophobicContact CD1-CD1 3.94Å; A265-L292 HydrophobicContact CB-CD2 3.82Å; M286-L292 HydrophobicContact CB-CD1 4.35Å; F287-L292 HydrophobicContact CD1-CB 4.42Å; F287-L292 HydrophobicContact CD1-CD1 4.13Å; F287-L292 HydrophobicContact CE1-CB 4.32Å; F287-L292 HydrophobicContact CE1-CD1 3.62Å; F287-L292 HydrophobicContact CZ-CD1 3.84Å; L292-W294 HydrophobicContact CD2-CB 3.96Å; L292-W294 HydrophobicContact CG-CB 4.16Å; L292-W294 PolarHBondContact O-N 2.97Å
293	R	94.8	Very high	92.4	Very high	137 Å²	137	92.2 Å²	92.2	52%	0.517	42%	0.416	S	S	.	.			trans	-77.7	69.4	176.1	-64.5	177.9	75.2	-152.7	-2.3	110.1	N285 M286 E288 R291	N285-R293 PolarHBondContact O-NH1 3.18Å; M286-R293 PolarHBondContact O-N 3.2Å; E288-R293 HydrophobicContact CB-CG 3.49Å; E288-R293 VanDerWaalsContact CB-CG 3.49Å; E288-R293 IonicContact OE2-NE 3.76Å; R291-R293 PolarHBondContact O-N 3.29Å
294	W	94.9	Very high	92.7	Very high	47 Å²	47	83.1 Å²	83.1	18%	0.178	38%	0.377	C	S	.	.			trans	-120.6	128.7	-175.2	-179.3	-107.8	0	0	0	111.3	L261 E262 A265 L292 E296 R300 V304	L261-W294 HydrophobicContact CD2-CE3 4.22Å; L261-W294 HydrophobicContact CG-CE3 3.93Å; L261-W294 HydrophobicContact CG-CZ3 4.31Å; E262-W294 HydrophobicContact CB-CH2 3.9Å; E262-W294 HydrophobicContact CB-CZ3 3.99Å; E262-W294 HydrophobicContact CG-CH2 3.93Å; A265-W294 HydrophobicContact CB-CB 4.44Å; A265-W294 HydrophobicContact CB-CD2 3.43Å; A265-W294 VanDerWaalsContact CB-CD2 3.43Å; A265-W294 VanDerWaalsContact CB-CE2 3.44Å; A265-W294 HydrophobicContact CB-CE3 3.92Å; A265-W294 HydrophobicContact CB-CG 3.67Å; A265-W294 HydrophobicContact CB-CH2 4.33Å; A265-W294 HydrophobicContact CB-CZ2 3.91Å; A265-W294 HydrophobicContact CB-CZ3 4.34Å; L292-W294 HydrophobicContact CD2-CB 3.96Å; L292-W294 HydrophobicContact CG-CB 4.16Å; L292-W294 PolarHBondContact O-N 2.97Å; W294-E296 PolarHBondContact O-N 3.15Å; W294-R300 HydrophobicContact CH2-CB 3.67Å; W294-R300 HydrophobicContact CZ2-CB 4.04Å; W294-V304 HydrophobicContact CZ2-CG2 3.91Å
295	D	94.1	Very high	92.8	Very high	88 Å²	88	85.8 Å²	85.8	47%	0.471	39%	0.386	S	S	.	.			trans	-89.1	102.8	174.2	177.7	9.5	0	0	0	110.6	H297 S298	D295-H297 PolarHBondContact O-N 3.48Å; D295-H297 WeakPolarHBondContact OD1-CA 3.2Å; D295-H297 WeakPolarHBondContact OD1-CB 3.46Å; D295-H297 IonicContact OD1-CD2 3.28Å; D295-H297 PolarHBondContact OD1-N 2.75Å; D295-S298 WeakPolarHBondContact O-CB 3.48Å; D295-S298 PolarHBondContact O-N 3.07Å; D295-S298 PolarHBondContact O-OG 3.12Å; D295-S298 PolarHBondContact OD1-N 2.86Å; D295-S298 WeakPolarHBondContact OD2-CB 3.43Å; D295-S298 PolarHBondContact OD2-N 2.91Å
296	E	91.5	Very high	92.8	Very high	118 Å²	118	85.3 Å²	85.3	55%	0.551	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-14	177.2	-64.8	-171.5	-176.1	0	0	114.3	W294 G301 R305	W294-E296 PolarHBondContact O-N 3.15Å; E296-G301 CarbonylContact O-C 3.44Å; E296-R305 PolarHBondContact O-NH1 2.78Å
297	H	93.1	Very high	92.7	Very high	150 Å²	150	87.6 Å²	87.6	69%	0.694	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.3	179.7	-58	-65.2	0	0	0	112.8	D295	D295-H297 PolarHBondContact O-N 3.48Å; D295-H297 WeakPolarHBondContact OD1-CA 3.2Å; D295-H297 WeakPolarHBondContact OD1-CB 3.46Å; D295-H297 IonicContact OD1-CD2 3.28Å; D295-H297 PolarHBondContact OD1-N 2.75Å
298	S	95	Very high	92.6	Very high	32 Å²	32	86.9 Å²	86.9	22%	0.224	39%	0.392	C	S	.	.	S	Bend	trans	-57.5	162.9	170.6	72.8	0	0	0	0	112.3	D295 R300 G301 R302	D295-S298 WeakPolarHBondContact O-CB 3.48Å; D295-S298 PolarHBondContact O-N 3.07Å; D295-S298 PolarHBondContact O-OG 3.12Å; D295-S298 PolarHBondContact OD1-N 2.86Å; D295-S298 WeakPolarHBondContact OD2-CB 3.43Å; D295-S298 PolarHBondContact OD2-N 2.91Å; S298-R300 PolarHBondContact O-N 3.29Å; S298-G301 PolarHBondContact O-N 3.41Å; S298-G301 PolarHBondContact OG-N 3.32Å; S298-R302 WeakPolarHBondContact O-CB 3.31Å; S298-R302 PolarHBondContact O-N 3.08Å
299	S	93.7	Very high	92.6	Very high	96 Å²	96	86.9 Å²	86.9	67%	0.671	39%	0.391	S	S	*	.	H	α-helix	trans	-56.6	-39.1	174.1	52.6	0	0	0	0	112.2	Y303	S299-Y303 PolarHBondContact O-N 3.46Å
300	R	93.2	Very high	92.9	Very high	82 Å²	82	78.4 Å²	78.4	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-70.6	-42.2	176.9	-58	176	72.3	166.9	13.1	111.8	E259 E262 W294 S298 R302 Y303 V304	E259-R300 VanDerWaalsContact CG-NH2 3.25Å; E259-R300 IonicContact OE1-CZ 2.65Å; E259-R300 IonicContact OE1-NH1 3.75Å; E259-R300 PolarHBondContact OE1-NH1 3.3Å; E259-R300 IonicContact OE1-NH2 3.57Å; E259-R300 PolarHBondContact OE1-NH2 2.88Å; E259-R300 VanDerWaalsContact OE1-NH2 3.11Å; E259-R300 IonicContact OE2-CZ 2.68Å; E259-R300 IonicContact OE2-NH1 3.79Å; E259-R300 PolarHBondContact OE2-NH1 3.01Å; E259-R300 IonicContact OE2-NH2 3.33Å; E259-R300 PolarHBondContact OE2-NH2 3.11Å; E262-R300 IonicContact OE1-CZ 3.96Å; E262-R300 IonicContact OE1-NE 3.44Å; E262-R300 PolarHBondContact OE1-NE 3.29Å; E262-R300 IonicContact OE1-NH2 2.81Å; E262-R300 PolarHBondContact OE1-NH2 3.29Å; E262-R300 VanDerWaalsContact OE1-NH2 3.1Å; E262-R300 IonicContact OE2-CZ 2.83Å; E262-R300 IonicContact OE2-NH2 3.58Å; E262-R300 PolarHBondContact OE2-NH2 2.76Å; W294-R300 HydrophobicContact CH2-CB 3.67Å; W294-R300 HydrophobicContact CZ2-CB 4.04Å; S298-R300 PolarHBondContact O-N 3.29Å; R300-R302 VanDerWaalsContact C-N 3.31Å; R300-R302 PolarHBondContact O-N 3.45Å; R300-Y303 PolarHBondContact O-N 3.43Å; R300-V304 WeakPolarHBondContact O-CG2 3.37Å; R300-V304 PolarHBondContact O-N 3.22Å
301	G	93.9	Very high	93	Very high	2 Å²	2	78.2 Å²	78.2	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-42.8	174	0	0	0	0	0	112.4	E296 S298 V304 R305	E296-G301 CarbonylContact O-C 3.44Å; S298-G301 PolarHBondContact O-N 3.41Å; S298-G301 PolarHBondContact OG-N 3.32Å; G301-V304 PolarHBondContact O-N 2.81Å; G301-R305 WeakPolarHBondContact O-CB 3.26Å; G301-R305 PolarHBondContact O-N 3.4Å
302	R	94	Very high	92.7	Very high	127 Å²	127	71.9 Å²	71.9	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-48.5	174	-172.7	-178.7	-50.6	157.6	6	112.2	S298 R300 V304 R305 E306	S298-R302 WeakPolarHBondContact O-CB 3.31Å; S298-R302 PolarHBondContact O-N 3.08Å; R300-R302 VanDerWaalsContact C-N 3.31Å; R300-R302 PolarHBondContact O-N 3.45Å; R302-V304 VanDerWaalsContact C-N 3.35Å; R302-V304 PolarHBondContact O-N 3.03Å; R302-R305 PolarHBondContact O-N 2.9Å; R302-E306 WeakPolarHBondContact CD-OE1 3.21Å; R302-E306 VanDerWaalsContact CG-CD 3.43Å; R302-E306 HydrophobicContact CG-CG 4.28Å; R302-E306 WeakPolarHBondContact CG-OE1 3.22Å; R302-E306 WeakPolarHBondContact O-CB 3.43Å; R302-E306 WeakPolarHBondContact O-CG 3.47Å; R302-E306 PolarHBondContact O-N 3.39Å
303	Y	93.5	Very high	92.1	Very high	96 Å²	96	74.5 Å²	74.5	38%	0.376	36%	0.36	S	S	.	.	H	α-helix	trans	-54.7	-49.2	176.2	172.4	-96.8	0	0	0	111.6	M266 S299 R300 R305 E306 T307	M266-Y303 HydrophobicContact CE-CD1 4.38Å; M266-Y303 HydrophobicContact CE-CE1 3.97Å; S299-Y303 PolarHBondContact O-N 3.46Å; R300-Y303 PolarHBondContact O-N 3.43Å; Y303-R305 VanDerWaalsContact C-N 3.35Å; Y303-R305 PolarHBondContact O-N 2.94Å; Y303-E306 PolarHBondContact O-N 3.04Å; Y303-T307 HydrophobicContact CD2-CG2 3.77Å; Y303-T307 HydrophobicContact CE2-CG2 3.59Å; Y303-T307 HydrophobicContact CG-CG2 4.4Å; Y303-T307 WeakPolarHBondContact O-CB 3.48Å; Y303-T307 WeakPolarHBondContact O-CG2 3.41Å; Y303-T307 PolarHBondContact O-N 2.85Å; Y303-T307 PolarHBondContact O-OG1 3.15Å
304	V	93.6	Very high	91.5	Very high	5 Å²	5	69.5 Å²	69.5	3%	0.03	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-44.7	177.8	169.6	0	0	0	0	111.5	E262 M266 R269 W294 R300 G301 R302 L308	E262-V304 HydrophobicContact CG-CG2 4.49Å; M266-V304 HydrophobicContact CE-CG2 4Å; M266-V304 HydrophobicContact CG-CG1 4.26Å; M266-V304 HydrophobicContact CG-CG2 3.76Å; R269-V304 HydrophobicContact CB-CG1 3.85Å; R269-V304 HydrophobicContact CG-CG1 4.11Å; W294-V304 HydrophobicContact CZ2-CG2 3.91Å; R300-V304 WeakPolarHBondContact O-CG2 3.37Å; R300-V304 PolarHBondContact O-N 3.22Å; G301-V304 PolarHBondContact O-N 2.81Å; R302-V304 VanDerWaalsContact C-N 3.35Å; R302-V304 PolarHBondContact O-N 3.03Å; V304-L308 HydrophobicContact CG1-CD1 4.35Å; V304-L308 WeakPolarHBondContact O-CB 3.44Å; V304-L308 PolarHBondContact O-N 3.33Å
305	R	92.5	Very high	90.7	Very high	100 Å²	100	72.7 Å²	72.7	38%	0.377	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-40.3	-178.9	-178.6	175.5	59.6	-124.9	-7.3	112.9	R269 E296 G301 R302 Y303	R269-R305 PolarHBondContact NH2-O 3.01Å; E296-R305 PolarHBondContact O-NH1 2.78Å; G301-R305 WeakPolarHBondContact O-CB 3.26Å; G301-R305 PolarHBondContact O-N 3.4Å; R302-R305 PolarHBondContact O-N 2.9Å; Y303-R305 VanDerWaalsContact C-N 3.35Å; Y303-R305 PolarHBondContact O-N 2.94Å
306	E	91.9	Very high	90	Very high	136 Å²	136	75.6 Å²	75.6	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-83.7	-31.5	-173.7	-71.1	173	-172.9	0	0	113.2	R302 Y303	R302-E306 WeakPolarHBondContact CD-OE1 3.21Å; R302-E306 VanDerWaalsContact CG-CD 3.43Å; R302-E306 HydrophobicContact CG-CG 4.28Å; R302-E306 WeakPolarHBondContact CG-OE1 3.22Å; R302-E306 WeakPolarHBondContact O-CB 3.43Å; R302-E306 WeakPolarHBondContact O-CG 3.47Å; R302-E306 PolarHBondContact O-N 3.39Å; Y303-E306 PolarHBondContact O-N 3.04Å
307	T	90.9	Very high	89.7	Confident	67 Å²	67	71.9 Å²	71.9	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-93	-26.5	-176.8	58.4	0	0	0	0	114	Y303	Y303-T307 HydrophobicContact CD2-CG2 3.77Å; Y303-T307 HydrophobicContact CE2-CG2 3.59Å; Y303-T307 HydrophobicContact CG-CG2 4.4Å; Y303-T307 WeakPolarHBondContact O-CB 3.48Å; Y303-T307 WeakPolarHBondContact O-CG2 3.41Å; Y303-T307 PolarHBondContact O-N 2.85Å; Y303-T307 PolarHBondContact O-OG1 3.15Å
308	L	92.8	Very high	89.4	Confident	17 Å²	17	70.6 Å²	70.6	9%	0.089	36%	0.361	C	S	.	.			trans	-109.1	135.6	-177.2	-58.4	-179.3	0	0	0	111.6	M266 R269 V270 V304	M266-L308 HydrophobicContact CB-CD1 3.49Å; M266-L308 VanDerWaalsContact CB-CD1 3.49Å; M266-L308 HydrophobicContact CG-CD1 3.54Å; M266-L308 HydrophobicContact SD-CD1 4.39Å; R269-L308 HydrophobicContact CG-CB 3.77Å; R269-L308 VanDerWaalsContact CZ-O 3.27Å; R269-L308 PolarHBondContact NE-O 3.44Å; R269-L308 PolarHBondContact NH2-O 3.11Å; R269-L308 VanDerWaalsContact NH2-O 3.09Å; V270-L308 HydrophobicContact CG2-CB 4.03Å; V270-L308 HydrophobicContact CG2-CD1 4.1Å; V270-L308 HydrophobicContact CG2-CG 4.45Å; V304-L308 HydrophobicContact CG1-CD1 4.35Å; V304-L308 WeakPolarHBondContact O-CB 3.44Å; V304-L308 PolarHBondContact O-N 3.33Å
309	E	90.5	Very high	89.3	Confident	100 Å²	100	72.1 Å²	72.1	47%	0.467	37%	0.367	S	S	.	.			trans	-111.8	151.1	173.1	-61.1	177.3	143.3	0	0	110.7	R314	E309-R314 PolarHBondContact O-NH1 2.84Å; E309-R314 IonicContact OE2-NE 2.82Å; E309-R314 IonicContact OE2-NH2 2.75Å
310	P	92.4	Very high	89.3	Confident	29 Å²	29	71.6 Å²	71.6	19%	0.188	36%	0.361	C	S	.	.			trans	-58.8	137.9	173	-22.8	34.3	0	0	0	112	V270 S312 V313 R314	V270-P310 CarbonylContact O-C 3.59Å; V270-P310 WeakPolarHBondContact O-CA 3.35Å; P310-S312 WeakPolarHBondContact CB-OG 3.28Å; P310-S312 PolarHBondContact O-N 2.93Å; P310-V313 HydrophobicContact CB-CG2 4.15Å; P310-V313 HydrophobicContact CG-CG2 4.25Å; P310-V313 WeakPolarHBondContact O-CB 3.25Å; P310-V313 PolarHBondContact O-N 3.11Å; P310-R314 PolarHBondContact O-N 2.94Å
311	L	90.3	Very high	89.3	Confident	5 Å²	5	69 Å²	69	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-30.1	174.8	-169	62	0	0	0	111.4	V270 L271 V313 R314 R315 F326 I329 S330	V270-L311 HydrophobicContact CG1-CB 4.01Å; V270-L311 PolarHBondContact O-N 3.37Å; L271-L311 HydrophobicContact CD2-CB 4.44Å; L271-L311 HydrophobicContact CD2-CD2 3.92Å; L311-V313 VanDerWaalsContact C-N 3.29Å; L311-V313 PolarHBondContact O-N 3.47Å; L311-R314 PolarHBondContact O-N 3.18Å; L311-R314 VanDerWaalsContact O-N 3.15Å; L311-R315 PolarHBondContact O-N 2.8Å; L311-R315 VanDerWaalsContact O-N 3.13Å; L311-F326 HydrophobicContact CD1-CD1 3.64Å; L311-F326 HydrophobicContact CD1-CE1 4.18Å; L311-F326 HydrophobicContact CD1-CG 4.49Å; L311-I329 HydrophobicContact CD1-CG2 4.4Å; L311-I329 HydrophobicContact CD2-CG2 4.14Å; L311-S330 VanDerWaalsContact CD2-OG 3.23Å; L311-S330 WeakPolarHBondContact CD2-OG 3.44Å
312	S	84.9	Confident	89.3	Confident	57 Å²	57	70.7 Å²	70.7	40%	0.399	36%	0.362	S	S	.	.	H	α-helix	trans	-58.8	-37	174.1	56.6	0	0	0	0	113.3	P310 R315	P310-S312 WeakPolarHBondContact CB-OG 3.28Å; P310-S312 PolarHBondContact O-N 2.93Å; S312-R315 PolarHBondContact O-N 3.39Å
313	V	81.8	Confident	89.2	Confident	74 Å²	74	66 Å²	66	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-68.9	-40.6	176.2	177.1	0	0	0	0	110.1	P310 L311 R315 L316	P310-V313 HydrophobicContact CB-CG2 4.15Å; P310-V313 HydrophobicContact CG-CG2 4.25Å; P310-V313 WeakPolarHBondContact O-CB 3.25Å; P310-V313 PolarHBondContact O-N 3.11Å; L311-V313 VanDerWaalsContact C-N 3.29Å; L311-V313 PolarHBondContact O-N 3.47Å; V313-R315 VanDerWaalsContact C-N 3.25Å; V313-R315 PolarHBondContact O-N 3.04Å; V313-L316 WeakPolarHBondContact O-CB 3.38Å; V313-L316 PolarHBondContact O-N 2.99Å
314	R	82.9	Confident	89.3	Confident	32 Å²	32	63 Å²	63	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-65.6	-27.3	179.1	-62.7	-169.7	174	105.5	-1.6	113.5	Y246 E309 P310 L311 L316 T317 F326	Y246-R314 PolarHBondContact OH-NH2 3.33Å; E309-R314 PolarHBondContact O-NH1 2.84Å; E309-R314 IonicContact OE2-NE 2.82Å; E309-R314 IonicContact OE2-NH2 2.75Å; P310-R314 PolarHBondContact O-N 2.94Å; L311-R314 PolarHBondContact O-N 3.18Å; L311-R314 VanDerWaalsContact O-N 3.15Å; R314-L316 PolarHBondContact O-N 3.09Å; R314-T317 PolarHBondContact O-N 2.85Å; R314-F326 HydrophobicContact CB-CD1 4.16Å; R314-F326 HydrophobicContact CB-CD2 3.96Å; R314-F326 HydrophobicContact CB-CE1 4.03Å; R314-F326 HydrophobicContact CB-CE2 3.81Å; R314-F326 HydrophobicContact CB-CG 4.14Å; R314-F326 HydrophobicContact CB-CZ 3.85Å; R314-F326 HydrophobicContact CG-CZ 4.39Å; R314-F326 VanDerWaalsContact O-CD2 3.29Å; R314-F326 WeakPolarHBondContact O-CD2 3.28Å
315	R	78.2	Confident	89.4	Confident	114 Å²	114	62.8 Å²	62.8	43%	0.43	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18	172.6	-69.4	-173.4	-58.2	-165.8	2.9	113.7	L311 S312 V313 T317 F326	L311-R315 PolarHBondContact O-N 2.8Å; L311-R315 VanDerWaalsContact O-N 3.13Å; S312-R315 PolarHBondContact O-N 3.39Å; V313-R315 VanDerWaalsContact C-N 3.25Å; V313-R315 PolarHBondContact O-N 3.04Å; R315-T317 PolarHBondContact O-N 3.44Å; R315-F326 HydrophobicContact CG-CB 3.76Å
316	L	79.3	Confident	89.5	Confident	148 Å²	148	58.1 Å²	58.1	78%	0.775	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	12.4	178.9	-56.8	175.6	0	0	0	113	V313 R314	V313-L316 WeakPolarHBondContact O-CB 3.38Å; V313-L316 PolarHBondContact O-N 2.99Å; R314-L316 PolarHBondContact O-N 3.09Å
317	T	84.7	Confident	89.6	Confident	41 Å²	41	54.8 Å²	54.8	25%	0.252	31%	0.307	S	S	.	.			trans	-58.2	143.8	172.2	-175.9	0	0	0	0	111.3	R314 R315 D319 Q322 A323	R314-T317 PolarHBondContact O-N 2.85Å; R315-T317 PolarHBondContact O-N 3.44Å; T317-D319 VanDerWaalsContact C-N 3.26Å; T317-D319 PolarHBondContact O-N 3.08Å; T317-D319 PolarHBondContact OG1-N 2.85Å; T317-Q322 HydrophobicContact CG2-CB 3.86Å; T317-Q322 HydrophobicContact CG2-CG 4.01Å; T317-Q322 PolarHBondContact OG1-OE1 3.28Å; T317-A323 HydrophobicContact CG2-CB 3.96Å
318	S	88.4	Confident	89.9	Confident	123 Å²	123	51.6 Å²	51.6	86%	0.86	29%	0.288	S	S	*	.	S	Bend	trans	-75.4	-14.5	177.1	53.3	0	0	0	0	113.3	P320	S318-P320 VanDerWaalsContact O-CD 3.3Å; S318-P320 WeakPolarHBondContact O-CD 3.37Å
319	D	92.8	Very high	90.1	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	28%	0.283	S	S	.	.			trans	-80.6	112.4	174.6	177.3	-5.1	0	0	0	110.7	T317 V321 Q322 A323	T317-D319 VanDerWaalsContact C-N 3.26Å; T317-D319 PolarHBondContact O-N 3.08Å; T317-D319 PolarHBondContact OG1-N 2.85Å; D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 PolarHBondContact O-N 3.33Å; D319-V321 WeakPolarHBondContact OD1-CB 3.5Å; D319-V321 PolarHBondContact OD1-N 3.01Å; D319-Q322 HydrophobicContact CB-CB 3.9Å; D319-Q322 PolarHBondContact O-N 2.95Å; D319-Q322 PolarHBondContact OD1-N 3.24Å; D319-A323 PolarHBondContact O-N 3.28Å
320	P	92.1	Very high	90.3	Very high	85 Å²	85	46.4 Å²	46.4	55%	0.552	26%	0.264	S	S	*	.	H	α-helix	trans	-60.7	-33.3	-178.7	-22.5	34.3	0	0	0	113.9	S318 A323 E324	S318-P320 VanDerWaalsContact O-CD 3.3Å; S318-P320 WeakPolarHBondContact O-CD 3.37Å; P320-A323 PolarHBondContact O-N 3.17Å; P320-E324 WeakPolarHBondContact O-CG 3.22Å; P320-E324 PolarHBondContact O-N 2.84Å
321	V	93.3	Very high	90.5	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-71.3	-41.2	-179	-179.2	0	0	0	0	110	M144 R148 D319 E324 L325 F351	M144-V321 HydrophobicContact CG-CG1 3.65Å; M144-V321 HydrophobicContact SD-CG1 4.12Å; R148-V321 VanDerWaalsContact NH2-CG1 3.29Å; D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 PolarHBondContact O-N 3.33Å; D319-V321 WeakPolarHBondContact OD1-CB 3.5Å; D319-V321 PolarHBondContact OD1-N 3.01Å; V321-E324 PolarHBondContact O-N 3.06Å; V321-L325 PolarHBondContact O-N 2.98Å; V321-L325 VanDerWaalsContact O-N 3.07Å; V321-F351 HydrophobicContact CG1-CD2 4.39Å; V321-F351 HydrophobicContact CG1-CE2 4.12Å
322	Q	93.7	Very high	90.9	Very high	39 Å²	39	47.4 Å²	47.4	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-37	175.5	-167.9	178.9	39	0	0	111.7	M144 T317 D319 L325 F326	M144-Q322 HydrophobicContact CE-CB 4.09Å; M144-Q322 HydrophobicContact CE-CG 4.25Å; T317-Q322 HydrophobicContact CG2-CB 3.86Å; T317-Q322 HydrophobicContact CG2-CG 4.01Å; T317-Q322 PolarHBondContact OG1-OE1 3.28Å; D319-Q322 HydrophobicContact CB-CB 3.9Å; D319-Q322 PolarHBondContact O-N 2.95Å; D319-Q322 PolarHBondContact OD1-N 3.24Å; Q322-L325 PolarHBondContact O-N 3.07Å; Q322-F326 HydrophobicContact CG-CD2 3.82Å; Q322-F326 HydrophobicContact CG-CE2 3.52Å; Q322-F326 VanDerWaalsContact O-CD2 3.3Å; Q322-F326 WeakPolarHBondContact O-CD2 3.37Å; Q322-F326 PolarHBondContact O-N 2.9Å
323	A	93.3	Very high	91.5	Very high	28 Å²	28	44.8 Å²	44.8	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-43.5	173.7	0	0	0	0	0	111.9	T317 D319 P320 L325 F326 N327	T317-A323 HydrophobicContact CG2-CB 3.96Å; D319-A323 PolarHBondContact O-N 3.28Å; P320-A323 PolarHBondContact O-N 3.17Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 3.28Å; A323-F326 PolarHBondContact O-N 3.05Å; A323-N327 PolarHBondContact O-N 2.7Å
324	E	94.5	Very high	92.3	Very high	33 Å²	33	44.8 Å²	44.8	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-43.5	173	-73.2	168.5	-168.2	0	0	111.7	P320 V321 N327 L328 H349 R350 F351 R354	P320-E324 WeakPolarHBondContact O-CG 3.22Å; P320-E324 PolarHBondContact O-N 2.84Å; V321-E324 PolarHBondContact O-N 3.06Å; E324-N327 PolarHBondContact O-N 3.15Å; E324-L328 PolarHBondContact O-N 3.1Å; E324-H349 PolarHBondContact O-CE1 3.15Å; E324-H349 VanDerWaalsContact O-CE1 3.23Å; E324-R350 HydrophobicContact CG-CB 4.38Å; E324-F351 HydrophobicContact CB-CB 4.21Å; E324-F351 HydrophobicContact CB-CD2 4.45Å; E324-R354 IonicContact OE1-CZ 3.52Å; E324-R354 IonicContact OE1-NE 3.4Å; E324-R354 PolarHBondContact OE1-NE 3.3Å; E324-R354 IonicContact OE1-NH2 2.77Å; E324-R354 PolarHBondContact OE1-NH2 3.24Å; E324-R354 IonicContact OE2-CZ 3.64Å; E324-R354 IonicContact OE2-NE 2.78Å; E324-R354 PolarHBondContact OE2-NE 3.06Å; E324-R354 IonicContact OE2-NH2 3.65Å
325	L	96	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-45	177.4	-178.1	55.8	0	0	0	112.3	M144 V147 I245 L249 V321 Q322 A323 N327 L328 I329 F351	M144-L325 HydrophobicContact CE-CD2 3.96Å; M144-L325 HydrophobicContact SD-CD2 3.72Å; V147-L325 HydrophobicContact CG1-CD2 4.11Å; I245-L325 HydrophobicContact CG2-CD1 3.41Å; I245-L325 VanDerWaalsContact CG2-CD1 3.41Å; I245-L325 HydrophobicContact CG2-CG 4.31Å; L249-L325 HydrophobicContact CB-CD2 4.37Å; L249-L325 HydrophobicContact CD1-CD2 3.94Å; L249-L325 HydrophobicContact CD2-CD2 3.69Å; L249-L325 HydrophobicContact CG-CD2 4.2Å; V321-L325 PolarHBondContact O-N 2.98Å; V321-L325 VanDerWaalsContact O-N 3.07Å; Q322-L325 PolarHBondContact O-N 3.07Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 3.28Å; L325-N327 VanDerWaalsContact C-N 3.31Å; L325-N327 PolarHBondContact O-N 3.03Å; L325-L328 WeakPolarHBondContact O-CB 3.39Å; L325-L328 PolarHBondContact O-N 2.96Å; L325-I329 HydrophobicContact CD1-CD1 4.27Å; L325-I329 HydrophobicContact CD1-CG1 4.45Å; L325-I329 HydrophobicContact CG-CD1 4.04Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.43Å; L325-F351 HydrophobicContact CB-CD2 3.96Å; L325-F351 HydrophobicContact CB-CE2 3.81Å; L325-F351 HydrophobicContact CB-CZ 4.25Å; L325-F351 HydrophobicContact CD1-CD1 3.97Å; L325-F351 HydrophobicContact CD1-CD2 4.38Å; L325-F351 HydrophobicContact CD1-CE1 3.55Å; L325-F351 HydrophobicContact CD1-CE2 4.03Å; L325-F351 HydrophobicContact CD1-CG 4.36Å; L325-F351 HydrophobicContact CD1-CZ 3.6Å; L325-F351 HydrophobicContact CD2-CE2 4.31Å; L325-F351 HydrophobicContact CD2-CZ 4.12Å; L325-F351 HydrophobicContact CG-CE2 4.28Å; L325-F351 HydrophobicContact CG-CZ 4.21Å
326	F	95.6	Very high	93.9	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-28	177.9	-75.7	-56.5	0	0	0	113.1	Y246 L249 L311 R314 R315 Q322 A323 I329 S330	Y246-F326 HydrophobicContact CD2-CE1 4.14Å; Y246-F326 HydrophobicContact CE2-CE1 4.26Å; L249-F326 HydrophobicContact CD2-CE1 3.99Å; L249-F326 HydrophobicContact CD2-CE2 4.26Å; L249-F326 HydrophobicContact CD2-CZ 3.67Å; L311-F326 HydrophobicContact CD1-CD1 3.64Å; L311-F326 HydrophobicContact CD1-CE1 4.18Å; L311-F326 HydrophobicContact CD1-CG 4.49Å; R314-F326 HydrophobicContact CB-CD1 4.16Å; R314-F326 HydrophobicContact CB-CD2 3.96Å; R314-F326 HydrophobicContact CB-CE1 4.03Å; R314-F326 HydrophobicContact CB-CE2 3.81Å; R314-F326 HydrophobicContact CB-CG 4.14Å; R314-F326 HydrophobicContact CB-CZ 3.85Å; R314-F326 HydrophobicContact CG-CZ 4.39Å; R314-F326 VanDerWaalsContact O-CD2 3.29Å; R314-F326 WeakPolarHBondContact O-CD2 3.28Å; R315-F326 HydrophobicContact CG-CB 3.76Å; Q322-F326 HydrophobicContact CG-CD2 3.82Å; Q322-F326 HydrophobicContact CG-CE2 3.52Å; Q322-F326 VanDerWaalsContact O-CD2 3.3Å; Q322-F326 WeakPolarHBondContact O-CD2 3.37Å; Q322-F326 PolarHBondContact O-N 2.9Å; A323-F326 PolarHBondContact O-N 3.05Å; F326-I329 HydrophobicContact CD1-CD1 4.15Å; F326-I329 HydrophobicContact CE1-CD1 4.48Å; F326-S330 WeakPolarHBondContact O-CB 3.07Å; F326-S330 PolarHBondContact O-N 3.06Å; F326-S330 PolarHBondContact O-OG 3.49Å
327	N	94.3	Very high	94.8	Very high	65 Å²	65	34.5 Å²	34.5	35%	0.348	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-48.1	168.4	175.3	-150.8	0	0	0	111.1	A323 E324 L325 I329 S330 D331 H349	A323-N327 PolarHBondContact O-N 2.7Å; E324-N327 PolarHBondContact O-N 3.15Å; L325-N327 VanDerWaalsContact C-N 3.31Å; L325-N327 PolarHBondContact O-N 3.03Å; N327-I329 PolarHBondContact O-N 2.95Å; N327-S330 WeakPolarHBondContact O-CB 3.46Å; N327-S330 PolarHBondContact O-N 3.09Å; N327-S330 VanDerWaalsContact O-N 3.1Å; N327-D331 PolarHBondContact ND2-OD1 3.15Å; N327-D331 PolarHBondContact ND2-OD2 3.37Å; N327-D331 PolarHBondContact O-N 3.21Å; N327-H349 PolarHBondContact OD1-NE2 3.37Å
328	L	96.2	Very high	95.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-48.5	176.1	-177.7	62.3	0	0	0	112.2	E324 L325 S330 D331 M332 V346 H349 F351 F352	E324-L328 PolarHBondContact O-N 3.1Å; L325-L328 WeakPolarHBondContact O-CB 3.39Å; L325-L328 PolarHBondContact O-N 2.96Å; L328-S330 VanDerWaalsContact C-N 3.27Å; L328-S330 PolarHBondContact O-N 3.4Å; L328-D331 PolarHBondContact O-N 3.13Å; L328-D331 VanDerWaalsContact O-N 3.15Å; L328-M332 HydrophobicContact CD1-CE 3.92Å; L328-M332 HydrophobicContact CD2-CE 4.2Å; L328-M332 HydrophobicContact CG-CE 3.91Å; L328-M332 HydrophobicContact CG-SD 4.29Å; L328-M332 WeakPolarHBondContact O-CG 3.4Å; L328-M332 PolarHBondContact O-N 3.45Å; L328-V346 HydrophobicContact CD1-CB 4.43Å; L328-V346 HydrophobicContact CD1-CG1 3.99Å; L328-V346 HydrophobicContact CD1-CG2 4.16Å; L328-H349 HydrophobicContact CD1-CB 3.97Å; L328-F351 HydrophobicContact CD2-CD1 4.01Å; L328-F352 HydrophobicContact CD2-CD2 4.42Å; L328-F352 HydrophobicContact CD2-CE2 3.64Å; L328-F352 HydrophobicContact CD2-CZ 3.7Å
329	I	97	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-39.3	177.3	-67.5	167.4	0	0	0	110.5	I245 M254 L311 L325 F326 N327 D331 M332 L333	I245-I329 HydrophobicContact CB-CD1 4.48Å; I245-I329 HydrophobicContact CB-CG1 4.32Å; I245-I329 HydrophobicContact CG2-CD1 3.89Å; I245-I329 HydrophobicContact CG2-CG1 3.93Å; M254-I329 HydrophobicContact CE-CG2 3.99Å; L311-I329 HydrophobicContact CD1-CG2 4.4Å; L311-I329 HydrophobicContact CD2-CG2 4.14Å; L325-I329 HydrophobicContact CD1-CD1 4.27Å; L325-I329 HydrophobicContact CD1-CG1 4.45Å; L325-I329 HydrophobicContact CG-CD1 4.04Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.43Å; F326-I329 HydrophobicContact CD1-CD1 4.15Å; F326-I329 HydrophobicContact CE1-CD1 4.48Å; N327-I329 PolarHBondContact O-N 2.95Å; I329-D331 VanDerWaalsContact C-N 3.32Å; I329-D331 PolarHBondContact O-N 3.22Å; I329-M332 PolarHBondContact O-N 2.96Å; I329-L333 HydrophobicContact CG2-CD1 3.55Å; I329-L333 HydrophobicContact CG2-CG 4.13Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 VanDerWaalsContact O-CG 3.28Å; I329-L333 WeakPolarHBondContact O-CG 3.34Å; I329-L333 PolarHBondContact O-N 3.33Å
330	S	95.7	Very high	96	Very high	7 Å²	7	32.3 Å²	32.3	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-38.6	176.9	-58	0	0	0	0	112.2	L311 F326 N327 L328 M332 L333 Q334	L311-S330 VanDerWaalsContact CD2-OG 3.23Å; L311-S330 WeakPolarHBondContact CD2-OG 3.44Å; F326-S330 WeakPolarHBondContact O-CB 3.07Å; F326-S330 PolarHBondContact O-N 3.06Å; F326-S330 PolarHBondContact O-OG 3.49Å; N327-S330 WeakPolarHBondContact O-CB 3.46Å; N327-S330 PolarHBondContact O-N 3.09Å; N327-S330 VanDerWaalsContact O-N 3.1Å; L328-S330 VanDerWaalsContact C-N 3.27Å; L328-S330 PolarHBondContact O-N 3.4Å; S330-M332 VanDerWaalsContact C-N 3.33Å; S330-L333 PolarHBondContact O-N 3.35Å; S330-Q334 PolarHBondContact O-NE2 3.07Å
331	D	96	Very high	96.2	Very high	55 Å²	55	29.5 Å²	29.5	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-72.6	-29.9	-179.8	-62	-15.9	0	0	0	111.6	N327 L328 I329 T341	N327-D331 PolarHBondContact ND2-OD1 3.15Å; N327-D331 PolarHBondContact ND2-OD2 3.37Å; N327-D331 PolarHBondContact O-N 3.21Å; L328-D331 PolarHBondContact O-N 3.13Å; L328-D331 VanDerWaalsContact O-N 3.15Å; I329-D331 VanDerWaalsContact C-N 3.32Å; I329-D331 PolarHBondContact O-N 3.22Å; D331-T341 HydrophobicContact CB-CG2 3.97Å; D331-T341 PolarHBondContact O-N 3.44Å
332	M	98.1	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-75.5	-32.7	173.3	-68.8	175.6	169.9	0	0	113.1	V238 I241 I245 L328 I329 S330 Q334 R340 T341 V346	V238-M332 HydrophobicContact CG1-CB 3.98Å; V238-M332 HydrophobicContact CG1-CG 3.84Å; I241-M332 HydrophobicContact CG2-CE 3.97Å; I241-M332 HydrophobicContact CG2-SD 3.98Å; I245-M332 HydrophobicContact CD1-CE 3.97Å; I245-M332 HydrophobicContact CD1-SD 3.82Å; L328-M332 HydrophobicContact CD1-CE 3.92Å; L328-M332 HydrophobicContact CD2-CE 4.2Å; L328-M332 HydrophobicContact CG-CE 3.91Å; L328-M332 HydrophobicContact CG-SD 4.29Å; L328-M332 WeakPolarHBondContact O-CG 3.4Å; L328-M332 PolarHBondContact O-N 3.45Å; I329-M332 PolarHBondContact O-N 2.96Å; S330-M332 VanDerWaalsContact C-N 3.33Å; M332-Q334 PolarHBondContact O-N 2.97Å; M332-R340 VanDerWaalsContact O-CD 3.31Å; M332-R340 WeakPolarHBondContact O-CD 3.4Å; M332-R340 WeakPolarHBondContact O-CG 3.35Å; M332-T341 HydrophobicContact CG-CG2 4.16Å; M332-V346 HydrophobicContact CE-CB 4.29Å; M332-V346 HydrophobicContact CE-CG1 3.39Å; M332-V346 HydrophobicContact CE-CG2 3.87Å
333	L	98	Very high	96.5	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	32.9	-175.7	-61.1	-178.4	0	0	0	113.5	W239 M254 L271 I329 S330	W239-L333 HydrophobicContact CD2-CD2 3.62Å; W239-L333 HydrophobicContact CE3-CB 4.33Å; W239-L333 HydrophobicContact CE3-CD2 3.82Å; W239-L333 HydrophobicContact CG-CD2 4Å; W239-L333 HydrophobicContact CH2-CD2 4.47Å; W239-L333 HydrophobicContact CZ2-CD2 4.26Å; W239-L333 HydrophobicContact CZ3-CB 4.17Å; W239-L333 HydrophobicContact CZ3-CD2 4.26Å; W239-L333 WeakPolarHBondContact CZ3-O 3.37Å; W239-L333 WeakPolarHBondContact O-CD2 3.45Å; M254-L333 HydrophobicContact CE-CD1 3.5Å; M254-L333 HydrophobicContact SD-CD1 3.55Å; M254-L333 VanDerWaalsContact SD-CD1 3.55Å; L271-L333 HydrophobicContact CD1-CB 4.2Å; L271-L333 HydrophobicContact CD2-CB 3.91Å; L271-L333 HydrophobicContact CD2-CD1 4.32Å; I329-L333 HydrophobicContact CG2-CD1 3.55Å; I329-L333 HydrophobicContact CG2-CG 4.13Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 VanDerWaalsContact O-CG 3.28Å; I329-L333 WeakPolarHBondContact O-CG 3.34Å; I329-L333 PolarHBondContact O-N 3.33Å; S330-L333 PolarHBondContact O-N 3.35Å
334	Q	98	Very high	96.5	Very high	74 Å²	74	36.1 Å²	36.1	35%	0.346	20%	0.203	S	C	.	.			trans	-69.8	134.9	170.5	-64.3	-63.1	-42.8	0	0	110.6	S330 M332 A339 R340	S330-Q334 PolarHBondContact O-NE2 3.07Å; M332-Q334 PolarHBondContact O-N 2.97Å; Q334-A339 HydrophobicContact CB-CB 4.12Å; Q334-R340 HydrophobicContact CB-CG 3.82Å; Q334-R340 WeakPolarHBondContact O-CG 3.42Å; Q334-R340 PolarHBondContact O-NE 3.1Å; Q334-R340 PolarHBondContact O-NH2 3.48Å
335	Y	98.3	Very high	96.5	Very high	14 Å²	14	40 Å²	40	6%	0.055	22%	0.222	C	C	.	.	S	Bend	trans	-60.1	-55.7	179.4	-75.3	-72.5	0	0	0	112.7	P224 M267 Q268 L271 G272 L274 M278 P337 R340	P224-Y335 HydrophobicContact CB-CD1 4.1Å; P224-Y335 HydrophobicContact CG-CD1 3.95Å; M267-Y335 HydrophobicContact CB-CE1 3.9Å; M267-Y335 PolarHBondContact O-OH 3.26Å; M267-Y335 HydrophobicContact SD-CE1 4.29Å; Q268-Y335 VanDerWaalsContact CA-OH 3.26Å; Q268-Y335 WeakPolarHBondContact CA-OH 3.4Å; Q268-Y335 PolarHBondContact N-OH 3.02Å; Q268-Y335 VanDerWaalsContact N-OH 3.11Å; L271-Y335 HydrophobicContact CB-CE2 3.8Å; L271-Y335 HydrophobicContact CD1-CE1 4.41Å; G272-Y335 WeakPolarHBondContact O-CE2 3.23Å; G272-Y335 PolarHBondContact O-OH 3.36Å; L274-Y335 HydrophobicContact CB-CE1 4.34Å; L274-Y335 HydrophobicContact CD1-CD1 3.87Å; L274-Y335 HydrophobicContact CD1-CE1 3.83Å; L274-Y335 HydrophobicContact CG-CD1 4.18Å; L274-Y335 HydrophobicContact CG-CE1 4.28Å; M278-Y335 WeakPolarHBondContact CE-O 3.27Å; Y335-P337 WeakPolarHBondContact O-CD 3.03Å; Y335-R340 PolarHBondContact O-NH2 3.46Å
336	P	97.7	Very high	96.5	Very high	24 Å²	24	40.1 Å²	40.1	16%	0.156	22%	0.222	C	C	.	.	S	Bend	trans	-68.1	124.2	178.2	-16	32.4	0	0	0	108.9	P275 M278 S338 A339 R340	P275-P336 HydrophobicContact CG-CG 4.12Å; M278-P336 HydrophobicContact SD-CB 4.5Å; M278-P336 HydrophobicContact SD-CG 4.41Å; P336-S338 PolarHBondContact O-N 3.47Å; P336-S338 VanDerWaalsContact O-N 3.12Å; P336-A339 HydrophobicContact CB-CB 4.13Å; P336-A339 HydrophobicContact CG-CB 4.34Å; P336-A339 PolarHBondContact O-N 3.19Å; P336-R340 PolarHBondContact O-N 2.93Å
337	P	97.3	Very high	96.5	Very high	39 Å²	39	41.1 Å²	41.1	25%	0.253	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.7	-27	178.9	22.7	-32.9	0	0	0	112.1	E225 P235 Y335 A339 R340	E225-P337 HydrophobicContact CB-CG 4.34Å; E225-P337 HydrophobicContact CG-CB 4.45Å; E225-P337 HydrophobicContact CG-CG 4.2Å; P235-P337 HydrophobicContact CB-CB 3.76Å; P235-P337 HydrophobicContact CG-CB 4.12Å; Y335-P337 WeakPolarHBondContact O-CD 3.03Å; P337-A339 VanDerWaalsContact C-N 3.26Å; P337-A339 PolarHBondContact O-N 3.5Å; P337-R340 PolarHBondContact O-N 3.1Å
338	S	96.5	Very high	96.5	Very high	116 Å²	116	42.8 Å²	42.8	81%	0.811	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-70.1	-17.2	174.5	59.9	0	0	0	0	114.7	P336	P336-S338 PolarHBondContact O-N 3.47Å; P336-S338 VanDerWaalsContact O-N 3.12Å
339	A	97.3	Very high	96.5	Very high	53 Å²	53	44.1 Å²	44.1	44%	0.438	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-98.6	-9.3	178.2	0	0	0	0	0	112.5	Q334 P336 P337	Q334-A339 HydrophobicContact CB-CB 4.12Å; P336-A339 HydrophobicContact CB-CB 4.13Å; P336-A339 HydrophobicContact CG-CB 4.34Å; P336-A339 PolarHBondContact O-N 3.19Å; P337-A339 VanDerWaalsContact C-N 3.26Å; P337-A339 PolarHBondContact O-N 3.5Å
340	R	97.4	Very high	96.5	Very high	13 Å²	13	53 Å²	53	5%	0.049	28%	0.276	C	S	.	.	S	Bend	trans	-69.8	139.3	174.4	-67.6	-179.9	-162.1	143.8	16.6	109.9	E225 P235 V238 M332 Q334 Y335 P336 P337	E225-R340 VanDerWaalsContact CD-NH1 3.3Å; E225-R340 IonicContact OE1-CZ 2.73Å; E225-R340 IonicContact OE1-NH1 3.77Å; E225-R340 PolarHBondContact OE1-NH1 3.04Å; E225-R340 IonicContact OE1-NH2 2.68Å; E225-R340 IonicContact OE2-CZ 3.84Å; E225-R340 IonicContact OE2-NH1 3.65Å; E225-R340 PolarHBondContact OE2-NH1 3.48Å; E225-R340 IonicContact OE2-NH2 2.89Å; E225-R340 PolarHBondContact OE2-NH2 3Å; P235-R340 HydrophobicContact CB-CB 4.42Å; P235-R340 WeakPolarHBondContact O-CD 3.15Å; P235-R340 PolarHBondContact O-NH1 3.3Å; V238-R340 HydrophobicContact CG1-CB 4.47Å; M332-R340 VanDerWaalsContact O-CD 3.31Å; M332-R340 WeakPolarHBondContact O-CD 3.4Å; M332-R340 WeakPolarHBondContact O-CG 3.35Å; Q334-R340 HydrophobicContact CB-CG 3.82Å; Q334-R340 WeakPolarHBondContact O-CG 3.42Å; Q334-R340 PolarHBondContact O-NE 3.1Å; Q334-R340 PolarHBondContact O-NH2 3.48Å; Y335-R340 PolarHBondContact O-NH2 3.46Å; P336-R340 PolarHBondContact O-N 2.93Å; P337-R340 PolarHBondContact O-N 3.1Å
341	T	96.1	Very high	96.5	Very high	27 Å²	27	52.7 Å²	52.7	17%	0.166	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-60.4	149.8	174	-176.7	0	0	0	0	111.6	V238 D331 M332 E345 V346	V238-T341 HydrophobicContact CG1-CG2 4.49Å; D331-T341 HydrophobicContact CB-CG2 3.97Å; D331-T341 PolarHBondContact O-N 3.44Å; M332-T341 HydrophobicContact CG-CG2 4.16Å; T341-E345 PolarHBondContact OG1-OE2 2.68Å; T341-V346 HydrophobicContact CG2-CG2 3.23Å
342	R	96.5	Very high	96.6	Very high	190 Å²	190	50 Å²	50	72%	0.717	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-85.6	146.9	174	-63.8	-179.1	177.6	-168.4	0.6	110.2	G344 E345 V346	R342-G344 VanDerWaalsContact C-N 3.28Å; R342-G344 PolarHBondContact O-N 3.02Å; R342-E345 HydrophobicContact CB-CG 4.33Å; R342-E345 PolarHBondContact N-OE2 3.37Å; R342-E345 WeakPolarHBondContact O-CB 3.11Å; R342-E345 PolarHBondContact O-N 3.43Å; R342-V346 WeakPolarHBondContact O-CG2 3.36Å; R342-V346 PolarHBondContact O-N 3.23Å
343	L	97	Very high	96.4	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-33.8	-176.8	-65.9	177	0	0	0	113.5	C155 V158 V238 I241 E345 V346 L347	C155-L343 HydrophobicContact CB-CD2 4.34Å; V158-L343 HydrophobicContact CB-CD1 3.58Å; V158-L343 HydrophobicContact CG1-CD1 3.4Å; V158-L343 VanDerWaalsContact CG1-CD1 3.4Å; V238-L343 HydrophobicContact CG1-CD2 4.47Å; V238-L343 HydrophobicContact CG2-CD1 4.49Å; V238-L343 HydrophobicContact CG2-CD2 4.1Å; V238-L343 HydrophobicContact CG2-CG 3.95Å; I241-L343 HydrophobicContact CD1-CD1 3.82Å; I241-L343 HydrophobicContact CD1-CD2 3.82Å; I241-L343 HydrophobicContact CD1-CG 4.48Å; L343-E345 PolarHBondContact O-N 2.73Å; L343-V346 HydrophobicContact CD2-CG1 4.42Å; L343-V346 HydrophobicContact CD2-CG2 4.46Å; L343-V346 WeakPolarHBondContact O-CB 3.39Å; L343-V346 PolarHBondContact O-N 2.87Å; L343-L347 WeakPolarHBondContact O-CG 3.29Å; L343-L347 PolarHBondContact O-N 3.33Å; L343-L347 VanDerWaalsContact O-N 3.07Å
344	G	92.9	Very high	96.3	Very high	37 Å²	37	63.2 Å²	63.2	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-32	172.2	0	0	0	0	0	114.1	S159 R342 N348	S159-G344 PolarHBondContact OG-N 2.96Å; R342-G344 VanDerWaalsContact C-N 3.28Å; R342-G344 PolarHBondContact O-N 3.02Å; G344-N348 PolarHBondContact O-ND2 2.89Å; G344-N348 VanDerWaalsContact O-ND2 3.17Å
345	E	94.5	Very high	96.1	Very high	115 Å²	115	60 Å²	60	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-79.5	-42.1	175.8	-60.8	168.4	166.9	0	0	110.9	T341 R342 L343 L347 N348	T341-E345 PolarHBondContact OG1-OE2 2.68Å; R342-E345 HydrophobicContact CB-CG 4.33Å; R342-E345 PolarHBondContact N-OE2 3.37Å; R342-E345 WeakPolarHBondContact O-CB 3.11Å; R342-E345 PolarHBondContact O-N 3.43Å; L343-E345 PolarHBondContact O-N 2.73Å; E345-L347 VanDerWaalsContact C-N 3.26Å; E345-L347 PolarHBondContact O-N 3.35Å; E345-N348 WeakPolarHBondContact O-CB 3.37Å; E345-N348 PolarHBondContact O-N 3.48Å
346	V	95.8	Very high	95.8	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-52.1	-43.2	176	159	0	0	0	0	111.7	C155 L328 M332 T341 R342 L343 N348 H349 F352	C155-V346 HydrophobicContact CB-CG1 4.08Å; L328-V346 HydrophobicContact CD1-CB 4.43Å; L328-V346 HydrophobicContact CD1-CG1 3.99Å; L328-V346 HydrophobicContact CD1-CG2 4.16Å; M332-V346 HydrophobicContact CE-CB 4.29Å; M332-V346 HydrophobicContact CE-CG1 3.39Å; M332-V346 HydrophobicContact CE-CG2 3.87Å; T341-V346 HydrophobicContact CG2-CG2 3.23Å; R342-V346 WeakPolarHBondContact O-CG2 3.36Å; R342-V346 PolarHBondContact O-N 3.23Å; L343-V346 HydrophobicContact CD2-CG1 4.42Å; L343-V346 HydrophobicContact CD2-CG2 4.46Å; L343-V346 WeakPolarHBondContact O-CB 3.39Å; L343-V346 PolarHBondContact O-N 2.87Å; V346-N348 PolarHBondContact O-N 3.39Å; V346-H349 WeakPolarHBondContact O-CB 3.49Å; V346-H349 PolarHBondContact O-N 3.45Å; V346-F352 HydrophobicContact CG1-CD2 4.4Å; V346-F352 HydrophobicContact CG1-CE2 3.66Å; V346-F352 VanDerWaalsContact O-CD2 3.27Å; V346-F352 WeakPolarHBondContact O-CD2 3.46Å
347	L	95.9	Very high	95.5	Very high	25 Å²	25	69.3 Å²	69.3	13%	0.131	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.2	179.7	-69.5	167.5	0	0	0	113.5	Y152 C155 F156 L343 E345	Y152-L347 HydrophobicContact CD2-CD2 3.86Å; Y152-L347 HydrophobicContact CE1-CD2 4.49Å; Y152-L347 HydrophobicContact CE2-CB 4.38Å; Y152-L347 HydrophobicContact CE2-CD2 3.55Å; Y152-L347 HydrophobicContact CG-CD2 4.49Å; C155-L347 HydrophobicContact CB-CD2 3.89Å; F156-L347 HydrophobicContact CB-CD2 3.94Å; F156-L347 HydrophobicContact CD2-CD1 3.88Å; F156-L347 HydrophobicContact CD2-CD2 4.3Å; L343-L347 WeakPolarHBondContact O-CG 3.29Å; L343-L347 PolarHBondContact O-N 3.33Å; L343-L347 VanDerWaalsContact O-N 3.07Å; E345-L347 VanDerWaalsContact C-N 3.26Å; E345-L347 PolarHBondContact O-N 3.35Å
348	N	94.9	Very high	95.2	Very high	99 Å²	99	74.9 Å²	74.9	53%	0.529	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	0.2	177	-70.5	-68.8	0	0	0	113.8	G344 E345 V346 R353	G344-N348 PolarHBondContact O-ND2 2.89Å; G344-N348 VanDerWaalsContact O-ND2 3.17Å; E345-N348 WeakPolarHBondContact O-CB 3.37Å; E345-N348 PolarHBondContact O-N 3.48Å; V346-N348 PolarHBondContact O-N 3.39Å; N348-R353 PolarHBondContact O-NE 2.77Å; N348-R353 PolarHBondContact O-NH2 3.4Å
349	H	96.3	Very high	94.9	Very high	30 Å²	30	72.1 Å²	72.1	14%	0.139	34%	0.337	C	S	.	.	S	Bend	trans	-61.3	147.2	-178.9	-171.3	-92.3	0	0	0	112.1	E324 N327 L328 V346 F351 F352 R353	E324-H349 PolarHBondContact O-CE1 3.15Å; E324-H349 VanDerWaalsContact O-CE1 3.23Å; N327-H349 PolarHBondContact OD1-NE2 3.37Å; L328-H349 HydrophobicContact CD1-CB 3.97Å; V346-H349 WeakPolarHBondContact O-CB 3.49Å; V346-H349 PolarHBondContact O-N 3.45Å; H349-F351 VanDerWaalsContact ND1-CB 3.33Å; H349-F351 WeakPolarHBondContact ND1-CB 3.3Å; H349-F351 PolarHBondContact ND1-N 2.85Å; H349-F351 VanDerWaalsContact ND1-N 3.19Å; H349-F351 PolarHBondContact O-N 3.23Å; H349-F351 VanDerWaalsContact O-N 3.14Å; H349-F352 HydrophobicContact CB-CD2 4.48Å; H349-F352 PolarHBondContact O-N 3.19Å; H349-R353 PolarHBondContact O-N 3.38Å; H349-R353 VanDerWaalsContact O-N 3.15Å
350	R	95.6	Very high	94.5	Very high	186 Å²	186	75.6 Å²	75.6	70%	0.702	34%	0.339	S	S	*	.	H	α-helix	trans	-52.9	-40	-176.4	-68.6	-173.5	-179.8	-152.7	0.9	112.7	E324 F352 R353	E324-R350 HydrophobicContact CG-CB 4.38Å; R350-F352 VanDerWaalsContact C-N 3.34Å; R350-F352 PolarHBondContact O-N 3.14Å; R350-R353 PolarHBondContact O-N 2.78Å
351	F	96.6	Very high	94.3	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-52.2	-49.3	176.1	-178.3	-113.5	0	0	0	112.1	M144 R148 V321 E324 L325 L328 H349	M144-F351 HydrophobicContact SD-CE2 3.67Å; M144-F351 HydrophobicContact SD-CZ 3.93Å; R148-F351 HydrophobicContact CB-CE1 3.75Å; R148-F351 HydrophobicContact CB-CE2 4.34Å; R148-F351 HydrophobicContact CB-CZ 3.54Å; R148-F351 WeakPolarHBondContact CD-O 3.44Å; R148-F351 HydrophobicContact CG-CD1 4.01Å; R148-F351 HydrophobicContact CG-CE1 3.54Å; R148-F351 HydrophobicContact CG-CE2 4.32Å; R148-F351 HydrophobicContact CG-CZ 3.71Å; R148-F351 PolarHBondContact NE-O 3.22Å; V321-F351 HydrophobicContact CG1-CD2 4.39Å; V321-F351 HydrophobicContact CG1-CE2 4.12Å; E324-F351 HydrophobicContact CB-CB 4.21Å; E324-F351 HydrophobicContact CB-CD2 4.45Å; L325-F351 HydrophobicContact CB-CD2 3.96Å; L325-F351 HydrophobicContact CB-CE2 3.81Å; L325-F351 HydrophobicContact CB-CZ 4.25Å; L325-F351 HydrophobicContact CD1-CD1 3.97Å; L325-F351 HydrophobicContact CD1-CD2 4.38Å; L325-F351 HydrophobicContact CD1-CE1 3.55Å; L325-F351 HydrophobicContact CD1-CE2 4.03Å; L325-F351 HydrophobicContact CD1-CG 4.36Å; L325-F351 HydrophobicContact CD1-CZ 3.6Å; L325-F351 HydrophobicContact CD2-CE2 4.31Å; L325-F351 HydrophobicContact CD2-CZ 4.12Å; L325-F351 HydrophobicContact CG-CE2 4.28Å; L325-F351 HydrophobicContact CG-CZ 4.21Å; L328-F351 HydrophobicContact CD2-CD1 4.01Å; H349-F351 VanDerWaalsContact ND1-CB 3.33Å; H349-F351 WeakPolarHBondContact ND1-CB 3.3Å; H349-F351 PolarHBondContact ND1-N 2.85Å; H349-F351 VanDerWaalsContact ND1-N 3.19Å; H349-F351 PolarHBondContact O-N 3.23Å; H349-F351 VanDerWaalsContact O-N 3.14Å
352	F	97.2	Very high	94.2	Very high	0 Å²	0	81.5 Å²	81.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-78.9	-23.3	-178.7	-65.2	-46.9	0	0	0	114.2	R148 A151 Y152 L328 V346 H349 R350 R354 L355	R148-F352 HydrophobicContact CG-CD1 3.88Å; R148-F352 HydrophobicContact CG-CE1 4.35Å; R148-F352 WeakPolarHBondContact O-CE1 3.33Å; A151-F352 HydrophobicContact CB-CE1 3.83Å; A151-F352 HydrophobicContact CB-CZ 3.95Å; Y152-F352 HydrophobicContact CD2-CB 3.72Å; Y152-F352 AromaticContact CD2-CD1 3.84Å; Y152-F352 HydrophobicContact CD2-CD1 3.84Å; Y152-F352 HydrophobicContact CD2-CD2 4.08Å; Y152-F352 HydrophobicContact CD2-CE1 4.47Å; Y152-F352 AromaticContact CD2-CG 3.64Å; Y152-F352 HydrophobicContact CD2-CG 3.64Å; Y152-F352 HydrophobicContact CE2-CB 4.17Å; Y152-F352 HydrophobicContact CE2-CG 4.45Å; Y152-F352 HydrophobicContact CG-CD1 4.33Å; L328-F352 HydrophobicContact CD2-CD2 4.42Å; L328-F352 HydrophobicContact CD2-CE2 3.64Å; L328-F352 HydrophobicContact CD2-CZ 3.7Å; V346-F352 HydrophobicContact CG1-CD2 4.4Å; V346-F352 HydrophobicContact CG1-CE2 3.66Å; V346-F352 VanDerWaalsContact O-CD2 3.27Å; V346-F352 WeakPolarHBondContact O-CD2 3.46Å; H349-F352 HydrophobicContact CB-CD2 4.48Å; H349-F352 PolarHBondContact O-N 3.19Å; R350-F352 VanDerWaalsContact C-N 3.34Å; R350-F352 PolarHBondContact O-N 3.14Å; F352-R354 PolarHBondContact O-N 2.99Å; F352-R354 VanDerWaalsContact O-N 3.1Å; F352-L355 HydrophobicContact CD1-CD1 4.37Å; F352-L355 WeakPolarHBondContact O-CB 3.32Å; F352-L355 PolarHBondContact O-N 3.01Å
353	R	95	Very high	94.1	Very high	160 Å²	160	75.4 Å²	75.4	60%	0.604	34%	0.344	S	S	*	.	H	α-helix	trans	-61	-19.3	173.7	-68.4	-175.5	-176.7	-165.7	-3.5	113.2	N348 H349 R350 L355	N348-R353 PolarHBondContact O-NE 2.77Å; N348-R353 PolarHBondContact O-NH2 3.4Å; H349-R353 PolarHBondContact O-N 3.38Å; H349-R353 VanDerWaalsContact O-N 3.15Å; R350-R353 PolarHBondContact O-N 2.78Å; R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 3.42Å
354	R	94.6	Very high	93.9	Very high	120 Å²	120	79.6 Å²	79.6	45%	0.453	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.6	172.9	-63.4	179.6	178.1	-95.8	-0.2	113.6	E324 F352	E324-R354 IonicContact OE1-CZ 3.52Å; E324-R354 IonicContact OE1-NE 3.4Å; E324-R354 PolarHBondContact OE1-NE 3.3Å; E324-R354 IonicContact OE1-NH2 2.77Å; E324-R354 PolarHBondContact OE1-NH2 3.24Å; E324-R354 IonicContact OE2-CZ 3.64Å; E324-R354 IonicContact OE2-NE 2.78Å; E324-R354 PolarHBondContact OE2-NE 3.06Å; E324-R354 IonicContact OE2-NH2 3.65Å; F352-R354 PolarHBondContact O-N 2.99Å; F352-R354 VanDerWaalsContact O-N 3.1Å
355	L	94.6	Very high	94	Very high	6 Å²	6	82.3 Å²	82.3	3%	0.031	36%	0.361	C	S	.	.	S	Bend	trans	-68.5	135.5	175.1	-73.5	172.7	0	0	0	110.9	R148 H149 Y152 F352 R353 K357 R360	R148-L355 HydrophobicContact CB-CD2 4.23Å; R148-L355 HydrophobicContact CG-CD1 4.08Å; R148-L355 HydrophobicContact CG-CD2 3.79Å; R148-L355 HydrophobicContact CG-CG 3.73Å; H149-L355 HydrophobicContact CB-CD2 4.15Å; Y152-L355 VanDerWaalsContact CB-CD1 3.43Å; Y152-L355 HydrophobicContact CD1-CD1 4.17Å; Y152-L355 HydrophobicContact CD2-CD1 3.92Å; Y152-L355 HydrophobicContact CG-CD1 3.56Å; F352-L355 HydrophobicContact CD1-CD1 4.37Å; F352-L355 WeakPolarHBondContact O-CB 3.32Å; F352-L355 PolarHBondContact O-N 3.01Å; R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 3.42Å; L355-K357 PolarHBondContact O-N 2.94Å; L355-R360 HydrophobicContact CB-CG 3.82Å; L355-R360 HydrophobicContact CD1-CG 4.36Å; L355-R360 PolarHBondContact O-NE 3.48Å; L355-R360 VanDerWaalsContact O-NE 3.09Å; L355-R360 PolarHBondContact O-NH2 3.45Å
356	P	93.1	Very high	94	Very high	58 Å²	58	80.1 Å²	80.1	38%	0.377	35%	0.35	S	S	.	.			trans	-48.4	140.1	166	-26.9	34.3	0	0	0	111.2	H358 L359	P356-H358 WeakPolarHBondContact CB-CE1 3.3Å; P356-H358 WeakPolarHBondContact CB-ND1 3.46Å; P356-H358 PolarHBondContact O-N 3.35Å; P356-H358 VanDerWaalsContact O-N 3.1Å; P356-L359 HydrophobicContact CB-CG 4.47Å; P356-L359 HydrophobicContact CG-CD1 4.26Å; P356-L359 PolarHBondContact O-N 3.26Å
357	K	91	Very high	93.8	Very high	176 Å²	176	85.7 Å²	85.7	77%	0.765	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-56.7	-28.8	-175.9	-73	-176.8	179.1	-177.1	0	114.1	L355 L359 R360	L355-K357 PolarHBondContact O-N 2.94Å; K357-L359 VanDerWaalsContact C-N 3.28Å; K357-L359 PolarHBondContact O-N 3.45Å; K357-R360 PolarHBondContact O-N 2.88Å
358	H	91	Very high	93.7	Very high	155 Å²	155	90.4 Å²	90.4	72%	0.718	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-78.4	-10.8	-179.9	70.6	-90.2	0	0	0	113.8	P356	P356-H358 WeakPolarHBondContact CB-CE1 3.3Å; P356-H358 WeakPolarHBondContact CB-ND1 3.46Å; P356-H358 PolarHBondContact O-N 3.35Å; P356-H358 VanDerWaalsContact O-N 3.1Å
359	L	90.5	Very high	93.6	Very high	59 Å²	59	89.7 Å²	89.7	31%	0.309	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-101.3	5.8	173.8	-61.9	-176.7	0	0	0	112	P356 K357	P356-L359 HydrophobicContact CB-CG 4.47Å; P356-L359 HydrophobicContact CG-CD1 4.26Å; P356-L359 PolarHBondContact O-N 3.26Å; K357-L359 VanDerWaalsContact C-N 3.28Å; K357-L359 PolarHBondContact O-N 3.45Å
360	R	87.3	Confident	93.3	Very high	126 Å²	126	95.1 Å²	95.1	48%	0.475	40%	0.403	S	S	.	.			trans	-109.1	0	179.3	-76.8	-170.2	-81.9	158.1	-12.6	110.5	Y152 L355 K357	Y152-R360 VanDerWaalsContact CE1-CA 3.48Å; Y152-R360 HydrophobicContact CE1-CB 4.09Å; Y152-R360 HydrophobicContact CE1-CG 4.14Å; Y152-R360 WeakPolarHBondContact CE1-OXT 3.23Å; Y152-R360 HydrophobicContact CE2-CG 4.11Å; Y152-R360 PolarHBondContact OH-OXT 2.89Å; Y152-R360 VanDerWaalsContact OH-OXT 3.05Å; L355-R360 HydrophobicContact CB-CG 3.82Å; L355-R360 HydrophobicContact CD1-CG 4.36Å; L355-R360 PolarHBondContact O-NE 3.48Å; L355-R360 VanDerWaalsContact O-NE 3.09Å; L355-R360 PolarHBondContact O-NH2 3.45Å; K357-R360 PolarHBondContact O-N 2.88Å

Retrieved 360 of 360 residues in 70 ms (Link to these results)

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