A0A077Z3G2_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3G2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 327 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	48.6	Very low	37.3	Very low	241 Å²	241	194.3 Å²	194.3	100%	1.187	90%	0.897	S	S	*	*				0	104.4	0	-155.8	166.5	160.4	0	0	105.7	E3	M1-E3 PolarHBondContact O-N 3.01Å
2	Q	39.7	Very low	37	Very low	197 Å²	197	188.7 Å²	188.7	92%	0.921	89%	0.886	S	S	*	*			trans	-75.9	113.7	-160.8	-77.8	174.5	-13.3	0	0	112.3
3	E	37.7	Very low	36.3	Very low	192 Å²	192	190.4 Å²	190.4	90%	0.897	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-73	121.4	168.2	-75.6	179.5	149.1	0	0	110.4	M1	M1-E3 PolarHBondContact O-N 3.01Å
4	R	38.4	Very low	35.9	Very low	244 Å²	244	185.8 Å²	185.8	92%	0.921	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-89.5	118.1	169.8	-76.2	-175.5	-179.8	-164.5	0.4	109.2
5	Q	37.7	Very low	35.6	Very low	181 Å²	181	183.9 Å²	183.9	85%	0.846	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-67.6	149.1	169.9	-71	-174.8	-15.1	0	0	111.8
6	P	38.1	Very low	35.3	Very low	126 Å²	126	186.6 Å²	186.6	82%	0.818	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-77.1	135.2	179	31.4	-31.1	0	0	0	111	K8	P6-K8 PolarHBondContact O-N 2.96Å
7	K	37	Very low	35.2	Very low	202 Å²	202	182 Å²	182	88%	0.878	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-65.4	128.6	174.4	-75.3	-178.8	174.4	-178.6	0	110.1	E9	K7-E9 PolarHBondContact O-N 2.84Å
8	K	33.5	Very low	35	Very low	196 Å²	196	179.8 Å²	179.8	85%	0.852	84%	0.844	S	S	*	*			trans	-66.4	113.4	165.1	-72.7	179.6	176	179.1	0	108.8	P6 H10	P6-K8 PolarHBondContact O-N 2.96Å; K8-H10 PolarHBondContact O-N 2.86Å
9	E	34.9	Very low	34.8	Very low	180 Å²	180	181 Å²	181	84%	0.841	85%	0.85	S	S	*	*			trans	-78.2	113.6	165.7	-75.5	-177	164.1	0	0	108.9	K7 F11	K7-E9 PolarHBondContact O-N 2.84Å; E9-F11 PolarHBondContact O-N 2.94Å
10	H	34.2	Very low	34.6	Very low	177 Å²	177	176 Å²	176	82%	0.819	85%	0.849	S	S	*	*			trans	-70	109.2	168.4	-88.3	-68.9	0	0	0	108.9	K8 V12	K8-H10 PolarHBondContact O-N 2.86Å; H10-V12 PolarHBondContact O-N 3.36Å
11	F	30.7	Very low	34.4	Very low	201 Å²	201	173.4 Å²	173.4	88%	0.882	84%	0.839	S	S	*	*			trans	-65.6	101.3	167.4	-122.5	-96.3	0	0	0	108.5	E9 R13	E9-F11 PolarHBondContact O-N 2.94Å; F11-R13 PolarHBondContact O-N 2.81Å
12	V	33.6	Very low	33.5	Very low	127 Å²	127	169.5 Å²	169.5	77%	0.77	82%	0.819	S	S	*	*			trans	-66.7	116.5	166.6	176.9	0	0	0	0	106.8	H10 D14	H10-V12 PolarHBondContact O-N 3.36Å; V12-D14 PolarHBondContact O-N 2.72Å; V12-D14 VanDerWaalsContact O-N 3.14Å
13	R	27.6	Very low	32.9	Very low	211 Å²	211	165.4 Å²	165.4	80%	0.796	81%	0.812	S	S	*	*			trans	-58	113.2	169.9	-88.1	180	169.7	179	-3	108.6	F11 E15	F11-R13 PolarHBondContact O-N 2.81Å; R13-E15 HydrophobicContact CB-CG 4.37Å; R13-E15 PolarHBondContact O-N 2.96Å
14	D	30.9	Very low	32.6	Very low	126 Å²	126	160.7 Å²	160.7	67%	0.674	80%	0.8	S	S	*	*			trans	-80.7	91.1	167.9	-159.3	-0.2	0	0	0	108.1	V12 R16	V12-D14 PolarHBondContact O-N 2.72Å; V12-D14 VanDerWaalsContact O-N 3.14Å; D14-R16 PolarHBondContact O-N 2.82Å
15	E	31.2	Very low	32.1	Very low	157 Å²	157	157.1 Å²	157.1	73%	0.734	79%	0.793	S	S	*	*			trans	-72.5	23.3	179.2	-73.6	-174.5	156.8	0	0	113.7	R13	R13-E15 HydrophobicContact CB-CG 4.37Å; R13-E15 PolarHBondContact O-N 2.96Å
16	R	31.5	Very low	31.6	Very low	227 Å²	227	153.8 Å²	153.8	86%	0.857	79%	0.785	S	S	*	*			trans	-106.9	46.7	-175.1	-62.2	-174.8	-166	176.5	6.8	114.4	D14	D14-R16 PolarHBondContact O-N 2.82Å
17	S	33	Very low	31.5	Very low	109 Å²	109	154.6 Å²	154.6	76%	0.762	78%	0.781	S	S	*	*	S	Bend	trans	-138.2	14.5	172.6	60.7	0	0	0	0	116.1
18	L	32.2	Very low	31.7	Very low	142 Å²	142	149.9 Å²	149.9	74%	0.743	77%	0.774	S	S	*	*			trans	-121.4	4.7	-178.5	-90.7	152.5	0	0	0	115.6	G20	L18-G20 PolarHBondContact O-N 2.91Å
19	E	30.2	Very low	32.2	Very low	203 Å²	203	148.1 Å²	148.1	95%	0.949	77%	0.769	S	S	*	*			trans	-96.9	74.1	174	-70.6	-176.8	163.5	0	0	111.3
20	G	30.6	Very low	33	Very low	80 Å²	80	146 Å²	146	83%	0.825	76%	0.759	S	S	*	*			trans	-131.3	11.2	163.9	0	0	0	0	0	112.5	L18	L18-G20 PolarHBondContact O-N 2.91Å
21	L	31.6	Very low	34	Very low	123 Å²	123	142.1 Å²	142.1	64%	0.644	74%	0.744	S	S	*	*	S	Bend	trans	-90.7	104.9	179.4	-78.9	157.1	0	0	0	109.4	I255	L21-I255 HydrophobicContact CD2-CG2 4.35Å
22	M	29	Very low	36.2	Very low	158 Å²	158	135.3 Å²	135.3	78%	0.778	73%	0.725	S	S	*	*			trans	43.5	83.5	149	-59.7	-170.4	69	0	0	117	C24	M22-C24 PolarHBondContact O-N 2.93Å
23	S	28.5	Very low	38.9	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	70%	0.703	S	S	*	*			trans	-81.3	104.2	152.5	66.6	0	0	0	0	109.1	H25	S23-H25 PolarHBondContact O-N 2.97Å
24	C	29.5	Very low	42	Very low	94 Å²	94	124.4 Å²	124.4	64%	0.635	67%	0.67	S	S	*	*			trans	-73	57.8	172.9	-75.6	0	0	0	0	112.3	M22	M22-C24 PolarHBondContact O-N 2.93Å
25	H	28.4	Very low	44.9	Very low	169 Å²	169	119.2 Å²	119.2	78%	0.782	64%	0.642	S	S	*	*			trans	-133.7	129.4	172.1	-73.6	-9.1	0	0	0	110	S23	S23-H25 PolarHBondContact O-N 2.97Å
26	T	28.5	Very low	47.9	Very low	110 Å²	110	115.4 Å²	115.4	68%	0.675	63%	0.631	S	S	*	*			trans	73.5	71.4	-178.7	42.7	0	0	0	0	119.3	S28	T26-S28 VanDerWaalsContact C-N 3.3Å; T26-S28 PolarHBondContact O-N 2.77Å
27	I	34.5	Very low	51	Low	144 Å²	144	108.9 Å²	108.9	74%	0.738	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-6.2	177	-68.9	170.9	0	0	0	114.3
28	S	41.9	Very low	53.9	Low	103 Å²	103	105.8 Å²	105.8	72%	0.72	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-27.2	-173.3	59.2	0	0	0	0	116	T26	T26-S28 VanDerWaalsContact C-N 3.3Å; T26-S28 PolarHBondContact O-N 2.77Å
29	E	44.6	Very low	57	Low	159 Å²	159	100.2 Å²	100.2	74%	0.743	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-25.3	-173.8	-73.8	-169	161.4	0	0	114.7	N31 A32	E29-N31 PolarHBondContact O-N 2.8Å; E29-N31 VanDerWaalsContact O-N 3.15Å; E29-A32 PolarHBondContact O-N 2.93Å
30	E	50.2	Low	60.1	Low	134 Å²	134	94.4 Å²	94.4	63%	0.626	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.1	-175.5	-71.6	-166.8	143.4	0	0	114.2
31	N	55.5	Low	63.2	Low	97 Å²	97	90.6 Å²	90.6	52%	0.519	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-1.1	-176.9	-84.6	-46.5	0	0	0	115.1	E29 K53	E29-N31 PolarHBondContact O-N 2.8Å; E29-N31 VanDerWaalsContact O-N 3.15Å; N31-K53 PolarHBondContact O-NZ 2.9Å
32	A	78.2	Confident	66.2	Low	57 Å²	57	89.2 Å²	89.2	47%	0.471	50%	0.499	S	S	.	.	S	Bend	trans	-71.8	143.8	177	0	0	0	0	0	111.4	E29 W34 Q58	E29-A32 PolarHBondContact O-N 2.93Å; A32-W34 PolarHBondContact O-N 3.26Å; A32-Q58 PolarHBondContact O-NE2 2.79Å
33	R	89.2	Confident	69.3	Low	82 Å²	82	88.8 Å²	88.8	31%	0.309	50%	0.5	S	S	.	.			trans	-61.7	139.1	166.5	86.5	-176.2	-61.8	177.3	5.1	108.4	L35 N37 L50	R33-L35 WeakPolarHBondContact CD-O 3.35Å; R33-L35 PolarHBondContact NE-O 2.76Å; R33-N37 PolarHBondContact NH1-OD1 2.99Å; R33-N37 PolarHBondContact NH2-OD1 3Å; R33-L50 HydrophobicContact CB-CD2 4.03Å
34	W	92.5	Very high	72.6	Confident	28 Å²	28	85.4 Å²	85.4	11%	0.106	47%	0.472	C	S	.	.	S	Bend	trans	-78.9	-37.2	-175.7	-63.9	-16	0	0	0	113.3	A32 Y56 Q58 Y60 L75 R77 Y114	A32-W34 PolarHBondContact O-N 3.26Å; W34-Y56 VanDerWaalsContact CH2-C 3.48Å; W34-Y56 WeakPolarHBondContact CH2-O 3.18Å; W34-Q58 HydrophobicContact CD2-CB 4.27Å; W34-Q58 HydrophobicContact CD2-CG 3.67Å; W34-Q58 HydrophobicContact CE3-CB 4.02Å; W34-Q58 HydrophobicContact CE3-CG 3.85Å; W34-Q58 VanDerWaalsContact CG-CD 3.49Å; W34-Q58 HydrophobicContact CG-CG 4.19Å; W34-Q58 HydrophobicContact CH2-CG 4.19Å; W34-Q58 HydrophobicContact CZ2-CG 4Å; W34-Q58 HydrophobicContact CZ3-CB 4.28Å; W34-Q58 HydrophobicContact CZ3-CG 4.12Å; W34-Q58 VanDerWaalsContact NE1-NE2 3.14Å; W34-Y60 PolarHBondContact N-OH 3.16Å; W34-L75 HydrophobicContact CE3-CB 3.85Å; W34-L75 HydrophobicContact CE3-CD1 4.39Å; W34-L75 HydrophobicContact CZ3-CB 3.95Å; W34-L75 WeakPolarHBondContact CZ3-O 3.31Å; W34-R77 HydrophobicContact CE3-CG 4.45Å; W34-R77 HydrophobicContact CH2-CB 4.03Å; W34-R77 HydrophobicContact CH2-CG 3.52Å; W34-R77 HydrophobicContact CZ2-CG 3.79Å; W34-R77 HydrophobicContact CZ3-CG 3.89Å; W34-Y114 HydrophobicContact CB-CE1 4.18Å; W34-Y114 HydrophobicContact CB-CE2 4.35Å; W34-Y114 HydrophobicContact CD2-CD1 4.23Å; W34-Y114 AromaticContact CD2-CE1 3.65Å; W34-Y114 HydrophobicContact CD2-CE1 3.65Å; W34-Y114 AromaticContact CE3-CD1 3.56Å; W34-Y114 HydrophobicContact CE3-CD1 3.56Å; W34-Y114 AromaticContact CE3-CE1 3.48Å; W34-Y114 HydrophobicContact CE3-CE1 3.48Å; W34-Y114 VanDerWaalsContact CE3-CE1 3.48Å; W34-Y114 HydrophobicContact CE3-CG 4.43Å; W34-Y114 AromaticContact CG-CE1 3.98Å; W34-Y114 HydrophobicContact CG-CE1 3.98Å; W34-Y114 AromaticContact CZ3-CD1 3.87Å; W34-Y114 HydrophobicContact CZ3-CD1 3.87Å; W34-Y114 HydrophobicContact CZ3-CE1 4.05Å
35	L	93.2	Very high	75.8	Confident	17 Å²	17	81.6 Å²	81.6	9%	0.089	45%	0.445	C	S	.	.	S	Bend	trans	-126.1	133.2	176.6	-64.9	-176.7	0	0	0	110.1	R33 L41 I47 Y60 L75	R33-L35 WeakPolarHBondContact CD-O 3.35Å; R33-L35 PolarHBondContact NE-O 2.76Å; L35-L41 HydrophobicContact CD1-CD2 3.75Å; L35-I47 HydrophobicContact CB-CD1 3.5Å; L35-I47 VanDerWaalsContact CB-CD1 3.5Å; L35-I47 HydrophobicContact CD1-CD1 3.5Å; L35-I47 VanDerWaalsContact CD1-CD1 3.5Å; L35-I47 HydrophobicContact CG-CD1 4.11Å; L35-Y60 PolarHBondContact N-OH 3.28Å; L35-Y60 VanDerWaalsContact N-OH 3.12Å; L35-L75 HydrophobicContact CB-CD1 4.43Å; L35-L75 HydrophobicContact CD1-CD1 3.54Å; L35-L75 HydrophobicContact CG-CD1 3.83Å
36	P	93.8	Very high	79.1	Confident	76 Å²	76	74 Å²	74	49%	0.494	41%	0.41	S	S	.	.			trans	-68.1	165.2	177.4	28.4	-35.2	0	0	0	112.8	S39	P36-S39 WeakPolarHBondContact CD-OG 3.05Å; P36-S39 WeakPolarHBondContact CG-OG 3.43Å; P36-S39 WeakPolarHBondContact O-CB 3.38Å; P36-S39 PolarHBondContact O-N 2.81Å; P36-S39 PolarHBondContact O-OG 3.47Å
37	N	95.3	Very high	82.4	Confident	91 Å²	91	68.7 Å²	68.7	49%	0.487	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	139.9	167.4	-74.7	-6.3	0	0	0	109.4	R33 S39 Q48 S49	R33-N37 PolarHBondContact NH1-OD1 2.99Å; R33-N37 PolarHBondContact NH2-OD1 3Å; N37-S39 VanDerWaalsContact C-N 3.34Å; N37-Q48 PolarHBondContact ND2-O 2.92Å; N37-Q48 PolarHBondContact OD1-O 2.95Å; N37-S49 PolarHBondContact OD1-N 2.86Å
38	G	94.8	Very high	85.3	Confident	44 Å²	44	65.7 Å²	65.7	45%	0.454	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-13.9	-176	0	0	0	0	0	114.4	I40 I47	G38-I40 WeakPolarHBondContact O-CG1 3.19Å; G38-I40 PolarHBondContact O-N 3.06Å; G38-I47 PolarHBondContact N-O 3.41Å
39	S	96.3	Very high	87.9	Confident	24 Å²	24	63.4 Å²	63.4	17%	0.168	35%	0.345	C	S	.	.			trans	-55.8	137.1	172.7	-72.8	0	0	0	0	111.4	P36 N37 S46 I47	P36-S39 WeakPolarHBondContact CD-OG 3.05Å; P36-S39 WeakPolarHBondContact CG-OG 3.43Å; P36-S39 WeakPolarHBondContact O-CB 3.38Å; P36-S39 PolarHBondContact O-N 2.81Å; P36-S39 PolarHBondContact O-OG 3.47Å; N37-S39 VanDerWaalsContact C-N 3.34Å; S39-S46 WeakPolarHBondContact O-CA 3.39Å; S39-I47 PolarHBondContact O-N 3.08Å
40	I	96.2	Very high	90.3	Very high	82 Å²	82	58.7 Å²	58.7	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127	-176.6	-55	176.8	0	0	0	109.4	G38 W45 L65	G38-I40 WeakPolarHBondContact O-CG1 3.19Å; G38-I40 PolarHBondContact O-N 3.06Å; I40-W45 CarbonylContact C-O 3.56Å; I40-W45 WeakPolarHBondContact CA-O 3.36Å; I40-L65 HydrophobicContact CD1-CD1 3.99Å; I40-L65 HydrophobicContact CG1-CD1 4.21Å; I40-L65 HydrophobicContact CG2-CD1 3.72Å
41	L	95.4	Very high	92.3	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134	172.3	-50.5	178	0	0	0	109.1	L35 N43 E44 W45 I73 L75 H111 Y116	L35-L41 HydrophobicContact CD1-CD2 3.75Å; L41-N43 PolarHBondContact O-N 2.87Å; L41-E44 PolarHBondContact O-N 2.9Å; L41-W45 HydrophobicContact CB-CB 4.24Å; L41-W45 PolarHBondContact N-O 2.83Å; L41-W45 PolarHBondContact O-N 2.93Å; L41-I73 HydrophobicContact CD1-CD1 4.41Å; L41-I73 HydrophobicContact CD1-CG2 3.49Å; L41-I73 VanDerWaalsContact CD1-CG2 3.49Å; L41-L75 HydrophobicContact CD1-CD2 4.13Å; L41-H111 HydrophobicContact CD2-CB 3.72Å; L41-Y116 HydrophobicContact CD1-CD1 4.39Å; L41-Y116 HydrophobicContact CD1-CD2 4.25Å; L41-Y116 HydrophobicContact CD1-CG 3.95Å
42	N	94.1	Very high	94	Very high	93 Å²	93	52.8 Å²	52.8	50%	0.497	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	30.8	175.5	-157.8	20.5	0	0	0	114.8	E44 D107 Y116	N42-E44 PolarHBondContact O-N 2.94Å; N42-D107 PolarHBondContact ND2-OD2 3.16Å; N42-Y116 WeakPolarHBondContact CB-OH 3.37Å
43	N	94.7	Very high	94.6	Very high	149 Å²	149	54.4 Å²	54.4	80%	0.797	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	16.7	-174.2	-58.8	-35.1	0	0	0	115.1	L41	L41-N43 PolarHBondContact O-N 2.87Å
44	E	97.1	Very high	94.3	Very high	41 Å²	41	54.1 Å²	54.1	19%	0.192	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	-31.2	-171	-176.6	157.9	175.3	0	0	113.4	L41 N42 N64 L65 K66	L41-E44 PolarHBondContact O-N 2.9Å; N42-E44 PolarHBondContact O-N 2.94Å; E44-N64 PolarHBondContact OE1-ND2 2.85Å; E44-L65 WeakPolarHBondContact O-CB 3.08Å; E44-L65 WeakPolarHBondContact O-CG 3.44Å; E44-L65 PolarHBondContact O-N 3.26Å; E44-K66 HydrophobicContact CG-CD 4.49Å; E44-K66 IonicContact OE1-NZ 3.61Å; E44-K66 IonicContact OE2-NZ 3.83Å; E44-K66 PolarHBondContact OE2-NZ 3.05Å
45	W	97.7	Very high	93.7	Very high	14 Å²	14	55.7 Å²	55.7	5%	0.053	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.3	-171.9	-43.2	103.6	0	0	0	110.9	I40 L41 N64 V71 I73 D107 V118	I40-W45 CarbonylContact C-O 3.56Å; I40-W45 WeakPolarHBondContact CA-O 3.36Å; L41-W45 HydrophobicContact CB-CB 4.24Å; L41-W45 PolarHBondContact N-O 2.83Å; L41-W45 PolarHBondContact O-N 2.93Å; W45-N64 HydrophobicContact CE3-CB 3.92Å; W45-N64 WeakPolarHBondContact CH2-ND2 3.47Å; W45-N64 HydrophobicContact CZ3-CB 3.6Å; W45-N64 WeakPolarHBondContact CZ3-ND2 3.49Å; W45-V71 HydrophobicContact CE3-CG1 4.21Å; W45-V71 HydrophobicContact CE3-CG2 4.21Å; W45-V71 HydrophobicContact CZ3-CG1 3.87Å; W45-I73 HydrophobicContact CB-CD1 4.01Å; W45-D107 HydrophobicContact CZ2-CB 3.64Å; W45-D107 PolarHBondContact NE1-OD2 2.79Å; W45-V118 HydrophobicContact CB-CG2 4.35Å; W45-V118 HydrophobicContact CD2-CB 4.32Å; W45-V118 HydrophobicContact CD2-CG1 3.79Å; W45-V118 HydrophobicContact CD2-CG2 4.06Å; W45-V118 HydrophobicContact CE3-CG1 3.63Å; W45-V118 HydrophobicContact CG-CG1 4.3Å; W45-V118 HydrophobicContact CG-CG2 3.83Å; W45-V118 HydrophobicContact CH2-CG1 4.33Å; W45-V118 HydrophobicContact CZ3-CG1 3.88Å
46	S	97.5	Very high	93.2	Very high	8 Å²	8	60.6 Å²	60.6	6%	0.056	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.9	178.8	-179.8	0	0	0	0	111.2	S39 Q48 G62 K63	S39-S46 WeakPolarHBondContact O-CA 3.39Å; S46-Q48 PolarHBondContact OG-NE2 2.79Å; S46-G62 CarbonylContact O-C 3.31Å; S46-G62 WeakPolarHBondContact O-CA 3.45Å; S46-K63 PolarHBondContact N-O 2.88Å; S46-K63 PolarHBondContact O-N 2.96Å
47	I	97.1	Very high	93	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.8	173.2	-69.7	178.5	0	0	0	109.7	L35 G38 S39 Y60 I73	L35-I47 HydrophobicContact CB-CD1 3.5Å; L35-I47 VanDerWaalsContact CB-CD1 3.5Å; L35-I47 HydrophobicContact CD1-CD1 3.5Å; L35-I47 VanDerWaalsContact CD1-CD1 3.5Å; L35-I47 HydrophobicContact CG-CD1 4.11Å; G38-I47 PolarHBondContact N-O 3.41Å; S39-I47 PolarHBondContact O-N 3.08Å; I47-Y60 HydrophobicContact CD1-CD2 4.49Å; I47-Y60 HydrophobicContact CD1-CG 4.44Å; I47-Y60 HydrophobicContact CG2-CD1 3.47Å; I47-Y60 VanDerWaalsContact CG2-CD1 3.47Å; I47-Y60 HydrophobicContact CG2-CE1 4Å; I47-Y60 HydrophobicContact CG2-CG 3.98Å; I47-I73 HydrophobicContact CG1-CD1 4.05Å
48	Q	96.4	Very high	92.9	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-37.1	-174	-63.4	-64.1	-48.1	0	0	113.2	N37 S46 G61 K63	N37-Q48 PolarHBondContact ND2-O 2.92Å; N37-Q48 PolarHBondContact OD1-O 2.95Å; S46-Q48 PolarHBondContact OG-NE2 2.79Å; Q48-G61 WeakPolarHBondContact CA-O 3.38Å; Q48-G61 WeakPolarHBondContact CB-O 3.43Å; Q48-G61 PolarHBondContact N-O 3.37Å; Q48-K63 HydrophobicContact CG-CB 4.44Å; Q48-K63 HydrophobicContact CG-CD 4.25Å; Q48-K63 HydrophobicContact CG-CG 4.07Å
49	S	95.2	Very high	92.8	Very high	56 Å²	56	51.8 Å²	51.8	39%	0.392	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	146.2	-179.6	58.7	0	0	0	0	110.8	N37 Y60 G61	N37-S49 PolarHBondContact OD1-N 2.86Å; S49-Y60 CarbonylContact O-C 3.54Å; S49-Y60 WeakPolarHBondContact O-CA 3.35Å; S49-Y60 VanDerWaalsContact O-CB 3.26Å; S49-Y60 WeakPolarHBondContact O-CB 3.48Å; S49-Y60 WeakPolarHBondContact O-CD1 3.08Å; S49-G61 PolarHBondContact N-O 3.45Å; S49-G61 VanDerWaalsContact N-O 3.11Å; S49-G61 PolarHBondContact O-N 2.71Å
50	L	95	Very high	92.8	Very high	59 Å²	59	50.6 Å²	50.6	31%	0.309	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.5	168.7	179.4	69.9	0	0	0	108.1	R33 K53 Q58 Y60	R33-L50 HydrophobicContact CB-CD2 4.03Å; L50-K53 HydrophobicContact CD2-CD 4.22Å; L50-Q58 HydrophobicContact CD1-CB 4.06Å; L50-Y60 HydrophobicContact CB-CD1 4.07Å; L50-Y60 HydrophobicContact CB-CE1 4.03Å; L50-Y60 HydrophobicContact CD1-CD1 3.87Å; L50-Y60 HydrophobicContact CD1-CE1 3.53Å; L50-Y60 HydrophobicContact CD1-CE2 4.18Å; L50-Y60 HydrophobicContact CD1-CG 4.38Å; L50-Y60 HydrophobicContact CG-CE1 4.37Å
51	V	92.8	Very high	92.8	Very high	77 Å²	77	47.6 Å²	47.6	47%	0.467	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-46.5	-178.8	175.1	0	0	0	0	110.6	E59 G61	V51-E59 WeakPolarHBondContact CA-O 3.5Å; V51-E59 WeakPolarHBondContact CB-O 3.4Å; V51-E59 PolarHBondContact N-O 3.28Å; V51-G61 VanDerWaalsContact CG2-N 3.35Å
52	R	91.5	Very high	92.9	Very high	30 Å²	30	47.9 Å²	47.9	11%	0.113	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.9	-175.8	-172.2	-176.9	-61.7	116.9	3.4	110.7	Q58 E59 G123 E128	R52-Q58 CarbonylContact O-C 3.55Å; R52-Q58 WeakPolarHBondContact O-CA 3.04Å; R52-E59 HydrophobicContact CB-CB 4.17Å; R52-E59 IonicContact CZ-OE2 3.73Å; R52-E59 PolarHBondContact N-O 3.44Å; R52-E59 VanDerWaalsContact NH1-CD 3.33Å; R52-E59 IonicContact NH1-OE1 2.9Å; R52-E59 IonicContact NH1-OE2 3.2Å; R52-E59 PolarHBondContact NH1-OE2 3.03Å; R52-E59 PolarHBondContact O-N 2.77Å; R52-G123 PolarHBondContact NH2-O 3.07Å; R52-G123 VanDerWaalsContact NH2-O 3.17Å; R52-E128 WeakPolarHBondContact CD-OE1 3.37Å; R52-E128 IonicContact CZ-OE1 3.8Å; R52-E128 IonicContact CZ-OE2 3.56Å; R52-E128 VanDerWaalsContact CZ-OE2 3.27Å; R52-E128 VanDerWaalsContact NE-CD 3.32Å; R52-E128 IonicContact NE-OE1 2.59Å; R52-E128 PolarHBondContact NE-OE1 3.36Å; R52-E128 IonicContact NE-OE2 2.67Å; R52-E128 PolarHBondContact NE-OE2 2.94Å; R52-E128 IonicContact NH2-OE1 3.98Å; R52-E128 IonicContact NH2-OE2 3.68Å; R52-E128 PolarHBondContact NH2-OE2 2.92Å
53	K	90.8	Very high	93	Very high	92 Å²	92	46.4 Å²	46.4	40%	0.4	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.3	172.8	64.5	-178.8	-175.8	-167.9	0	111.7	N31 L50 Q58	N31-K53 PolarHBondContact O-NZ 2.9Å; L50-K53 HydrophobicContact CD2-CD 4.22Å; K53-Q58 HydrophobicContact CB-CG 3.78Å
54	N	83.9	Confident	93.2	Very high	75 Å²	75	39.8 Å²	39.8	40%	0.401	21%	0.209	S	C	.	.			trans	-140.8	-177.9	161.6	60.5	50.7	0	0	0	108.7	Y56 S57	N54-Y56 PolarHBondContact O-N 2.76Å; N54-Y56 VanDerWaalsContact O-N 3.15Å; N54-Y56 PolarHBondContact OD1-N 2.91Å; N54-S57 PolarHBondContact N-O 3.4Å; N54-S57 PolarHBondContact ND2-OG 3.34Å; N54-S57 VanDerWaalsContact O-O 3.13Å; N54-S57 PolarHBondContact OD1-N 3.35Å; N54-S57 PolarHBondContact OD1-O 2.83Å; N54-S57 PolarHBondContact OD1-OG 3Å
55	S	79.4	Confident	93.2	Very high	61 Å²	61	41.5 Å²	41.5	43%	0.427	22%	0.219	S	C	.	.	S	Bend	trans	-59.8	-25.1	-176.5	46.3	0	0	0	0	114.4
56	Y	82.3	Confident	93.1	Very high	120 Å²	120	48.1 Å²	48.1	47%	0.471	25%	0.249	S	C	.	.	S	Bend	trans	-117.7	-9.5	-173.1	-56.9	-70.9	0	0	0	114.4	W34 N54 T76 R77	W34-Y56 VanDerWaalsContact CH2-C 3.48Å; W34-Y56 WeakPolarHBondContact CH2-O 3.18Å; N54-Y56 PolarHBondContact O-N 2.76Å; N54-Y56 VanDerWaalsContact O-N 3.15Å; N54-Y56 PolarHBondContact OD1-N 2.91Å; Y56-T76 WeakPolarHBondContact O-CA 3.49Å; Y56-R77 PolarHBondContact O-N 3.49Å
57	S	88.6	Confident	93	Very high	20 Å²	20	51.4 Å²	51.4	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.4	-178.8	60.6	0	0	0	0	113.1	N54 L75	N54-S57 PolarHBondContact N-O 3.4Å; N54-S57 PolarHBondContact ND2-OG 3.34Å; N54-S57 VanDerWaalsContact O-O 3.13Å; N54-S57 PolarHBondContact OD1-N 3.35Å; N54-S57 PolarHBondContact OD1-O 2.83Å; N54-S57 PolarHBondContact OD1-OG 3Å; S57-L75 CarbonylContact C-O 3.57Å; S57-L75 WeakPolarHBondContact CA-O 3.39Å; S57-L75 VanDerWaalsContact CB-O 3.3Å; S57-L75 WeakPolarHBondContact CB-O 3.2Å
58	Q	93.4	Very high	92.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.3	170.7	-64.2	-165.7	-3	0	0	110	A32 W34 L50 R52 K53 Y60 L75	A32-Q58 PolarHBondContact O-NE2 2.79Å; W34-Q58 HydrophobicContact CD2-CB 4.27Å; W34-Q58 HydrophobicContact CD2-CG 3.67Å; W34-Q58 HydrophobicContact CE3-CB 4.02Å; W34-Q58 HydrophobicContact CE3-CG 3.85Å; W34-Q58 VanDerWaalsContact CG-CD 3.49Å; W34-Q58 HydrophobicContact CG-CG 4.19Å; W34-Q58 HydrophobicContact CH2-CG 4.19Å; W34-Q58 HydrophobicContact CZ2-CG 4Å; W34-Q58 HydrophobicContact CZ3-CB 4.28Å; W34-Q58 HydrophobicContact CZ3-CG 4.12Å; W34-Q58 VanDerWaalsContact NE1-NE2 3.14Å; L50-Q58 HydrophobicContact CD1-CB 4.06Å; R52-Q58 CarbonylContact O-C 3.55Å; R52-Q58 WeakPolarHBondContact O-CA 3.04Å; K53-Q58 HydrophobicContact CB-CG 3.78Å; Q58-Y60 HydrophobicContact CB-CD2 4.39Å; Q58-Y60 HydrophobicContact CB-CE2 3.53Å; Q58-Y60 PolarHBondContact OE1-OH 2.86Å; Q58-L75 PolarHBondContact N-O 3.11Å; Q58-L75 PolarHBondContact O-N 2.83Å
59	E	94.2	Very high	92.9	Very high	5 Å²	5	59.1 Å²	59.1	2%	0.023	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.7	-178.6	-170.6	169.2	174.4	0	0	109.3	V51 R52 S72 I73 T122 R187	V51-E59 WeakPolarHBondContact CA-O 3.5Å; V51-E59 WeakPolarHBondContact CB-O 3.4Å; V51-E59 PolarHBondContact N-O 3.28Å; R52-E59 HydrophobicContact CB-CB 4.17Å; R52-E59 IonicContact CZ-OE2 3.73Å; R52-E59 PolarHBondContact N-O 3.44Å; R52-E59 VanDerWaalsContact NH1-CD 3.33Å; R52-E59 IonicContact NH1-OE1 2.9Å; R52-E59 IonicContact NH1-OE2 3.2Å; R52-E59 PolarHBondContact NH1-OE2 3.03Å; R52-E59 PolarHBondContact O-N 2.77Å; E59-S72 PolarHBondContact OE1-OG 3.12Å; E59-I73 CarbonylContact C-O 3.46Å; E59-I73 WeakPolarHBondContact CA-O 3.19Å; E59-T122 PolarHBondContact OE1-OG1 3.17Å; E59-T122 VanDerWaalsContact OE1-OG1 3.13Å; E59-R187 VanDerWaalsContact CD-NH1 3.26Å; E59-R187 IonicContact OE1-NH1 2.76Å; E59-R187 PolarHBondContact OE1-NH1 3.15Å; E59-R187 IonicContact OE2-CZ 3.33Å; E59-R187 VanDerWaalsContact OE2-CZ 3.27Å; E59-R187 IonicContact OE2-NH1 3.56Å; E59-R187 PolarHBondContact OE2-NH1 3.01Å; E59-R187 IonicContact OE2-NH2 3.16Å; E59-R187 PolarHBondContact OE2-NH2 3.17Å
60	Y	95.8	Very high	92.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.4	-172.8	-62.2	-95	0	0	0	110.4	W34 L35 I47 S49 L50 Q58 I73 L75	W34-Y60 PolarHBondContact N-OH 3.16Å; L35-Y60 PolarHBondContact N-OH 3.28Å; L35-Y60 VanDerWaalsContact N-OH 3.12Å; I47-Y60 HydrophobicContact CD1-CD2 4.49Å; I47-Y60 HydrophobicContact CD1-CG 4.44Å; I47-Y60 HydrophobicContact CG2-CD1 3.47Å; I47-Y60 VanDerWaalsContact CG2-CD1 3.47Å; I47-Y60 HydrophobicContact CG2-CE1 4Å; I47-Y60 HydrophobicContact CG2-CG 3.98Å; S49-Y60 CarbonylContact O-C 3.54Å; S49-Y60 WeakPolarHBondContact O-CA 3.35Å; S49-Y60 VanDerWaalsContact O-CB 3.26Å; S49-Y60 WeakPolarHBondContact O-CB 3.48Å; S49-Y60 WeakPolarHBondContact O-CD1 3.08Å; L50-Y60 HydrophobicContact CB-CD1 4.07Å; L50-Y60 HydrophobicContact CB-CE1 4.03Å; L50-Y60 HydrophobicContact CD1-CD1 3.87Å; L50-Y60 HydrophobicContact CD1-CE1 3.53Å; L50-Y60 HydrophobicContact CD1-CE2 4.18Å; L50-Y60 HydrophobicContact CD1-CG 4.38Å; L50-Y60 HydrophobicContact CG-CE1 4.37Å; Q58-Y60 HydrophobicContact CB-CD2 4.39Å; Q58-Y60 HydrophobicContact CB-CE2 3.53Å; Q58-Y60 PolarHBondContact OE1-OH 2.86Å; Y60-I73 PolarHBondContact N-O 3.25Å; Y60-I73 PolarHBondContact O-N 3.13Å; Y60-L75 HydrophobicContact CD2-CD1 4.24Å; Y60-L75 HydrophobicContact CD2-CG 4.23Å; Y60-L75 HydrophobicContact CE2-CD1 3.56Å; Y60-L75 HydrophobicContact CE2-CG 3.92Å
61	G	95.9	Very high	92.9	Very high	18 Å²	18	57.1 Å²	57.1	19%	0.186	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.9	155.8	0	0	0	0	0	108.1	Q48 S49 V51	Q48-G61 WeakPolarHBondContact CA-O 3.38Å; Q48-G61 WeakPolarHBondContact CB-O 3.43Å; Q48-G61 PolarHBondContact N-O 3.37Å; S49-G61 PolarHBondContact N-O 3.45Å; S49-G61 VanDerWaalsContact N-O 3.11Å; S49-G61 PolarHBondContact O-N 2.71Å; V51-G61 VanDerWaalsContact CG2-N 3.35Å
62	G	96.7	Very high	93.1	Very high	6 Å²	6	54 Å²	54	6%	0.062	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-177.4	177.3	0	0	0	0	0	112	S46 P70 V71	S46-G62 CarbonylContact O-C 3.31Å; S46-G62 WeakPolarHBondContact O-CA 3.45Å; G62-P70 WeakPolarHBondContact O-CA 3.21Å; G62-V71 VanDerWaalsContact C-CG2 3.47Å; G62-V71 PolarHBondContact N-O 3.15Å; G62-V71 PolarHBondContact O-N 2.84Å
63	K	97.2	Very high	93.3	Very high	63 Å²	63	52.6 Å²	52.6	27%	0.274	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.4	172.2	68	-176.1	-160.5	154.4	0	111.9	S46 Q48 D68 K69	S46-K63 PolarHBondContact N-O 2.88Å; S46-K63 PolarHBondContact O-N 2.96Å; Q48-K63 HydrophobicContact CG-CB 4.44Å; Q48-K63 HydrophobicContact CG-CD 4.25Å; Q48-K63 HydrophobicContact CG-CG 4.07Å; K63-D68 WeakPolarHBondContact CD-OD1 3.41Å; K63-D68 IonicContact NZ-OD1 3.22Å; K63-D68 PolarHBondContact NZ-OD1 2.8Å; K63-K69 WeakPolarHBondContact CA-O 3.47Å
64	N	97.7	Very high	93.4	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.1	168.1	-178.1	-77.1	0	0	0	109.2	E44 W45 K66 T67 D68 K69	E44-N64 PolarHBondContact OE1-ND2 2.85Å; W45-N64 HydrophobicContact CE3-CB 3.92Å; W45-N64 WeakPolarHBondContact CH2-ND2 3.47Å; W45-N64 HydrophobicContact CZ3-CB 3.6Å; W45-N64 WeakPolarHBondContact CZ3-ND2 3.49Å; N64-K66 VanDerWaalsContact C-N 3.28Å; N64-K66 PolarHBondContact O-N 3.24Å; N64-K66 WeakPolarHBondContact OD1-CA 3.3Å; N64-K66 WeakPolarHBondContact OD1-CB 3.33Å; N64-K66 PolarHBondContact OD1-N 2.76Å; N64-T67 WeakPolarHBondContact CB-OG1 3.37Å; N64-T67 VanDerWaalsContact CG-OG1 3.25Å; N64-T67 PolarHBondContact OD1-N 3.31Å; N64-T67 PolarHBondContact OD1-OG1 3.01Å; N64-D68 WeakPolarHBondContact O-CA 3.4Å; N64-D68 PolarHBondContact O-N 3.49Å; N64-K69 PolarHBondContact N-O 2.81Å
65	L	97.2	Very high	93.9	Very high	76 Å²	76	46.5 Å²	46.5	40%	0.398	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.6	-176	-71.4	175.6	0	0	0	113.6	I40 E44	I40-L65 HydrophobicContact CD1-CD1 3.99Å; I40-L65 HydrophobicContact CG1-CD1 4.21Å; I40-L65 HydrophobicContact CG2-CD1 3.72Å; E44-L65 WeakPolarHBondContact O-CB 3.08Å; E44-L65 WeakPolarHBondContact O-CG 3.44Å; E44-L65 PolarHBondContact O-N 3.26Å
66	K	96	Very high	94.4	Very high	154 Å²	154	45.3 Å²	45.3	67%	0.67	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-34.8	179.6	-62.2	171.5	180	160.8	0	112.4	E44 N64	E44-K66 HydrophobicContact CG-CD 4.49Å; E44-K66 IonicContact OE1-NZ 3.61Å; E44-K66 IonicContact OE2-NZ 3.83Å; E44-K66 PolarHBondContact OE2-NZ 3.05Å; N64-K66 VanDerWaalsContact C-N 3.28Å; N64-K66 PolarHBondContact O-N 3.24Å; N64-K66 WeakPolarHBondContact OD1-CA 3.3Å; N64-K66 WeakPolarHBondContact OD1-CB 3.33Å; N64-K66 PolarHBondContact OD1-N 2.76Å
67	T	96.3	Very high	94.6	Very high	77 Å²	77	44.6 Å²	44.6	47%	0.472	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-7.1	-170.7	62.2	0	0	0	0	114.2	N64 K69	N64-T67 WeakPolarHBondContact CB-OG1 3.37Å; N64-T67 VanDerWaalsContact CG-OG1 3.25Å; N64-T67 PolarHBondContact OD1-N 3.31Å; N64-T67 PolarHBondContact OD1-OG1 3.01Å; T67-K69 PolarHBondContact O-N 3.27Å
68	D	95.3	Very high	93.8	Very high	106 Å²	106	45.1 Å²	45.1	57%	0.567	23%	0.229	S	C	*	.			trans	55.1	13.3	-172.1	-151.2	47.9	0	0	0	114.5	K63 N64	K63-D68 WeakPolarHBondContact CD-OD1 3.41Å; K63-D68 IonicContact NZ-OD1 3.22Å; K63-D68 PolarHBondContact NZ-OD1 2.8Å; N64-D68 WeakPolarHBondContact O-CA 3.4Å; N64-D68 PolarHBondContact O-N 3.49Å
69	K	95.4	Very high	92.8	Very high	136 Å²	136	50.5 Å²	50.5	59%	0.591	25%	0.252	S	S	*	.			trans	-71	135.8	177.9	-70.5	179.5	179.8	177	0	110.5	K63 N64 T67	K63-K69 WeakPolarHBondContact CA-O 3.47Å; N64-K69 PolarHBondContact N-O 2.81Å; T67-K69 PolarHBondContact O-N 3.27Å
70	P	95.4	Very high	91.5	Very high	67 Å²	67	61.2 Å²	61.2	44%	0.435	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	146.1	176.5	28.8	-33.5	0	0	0	111	G62 P121	G62-P70 WeakPolarHBondContact O-CA 3.21Å; P70-P121 HydrophobicContact CB-CG 4.22Å; P70-P121 HydrophobicContact CG-CG 4.34Å; P70-P121 WeakPolarHBondContact O-CD 3.34Å; P70-P121 WeakPolarHBondContact O-CG 3.22Å
71	V	95.9	Very high	90.1	Very high	6 Å²	6	67.4 Å²	67.4	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.8	-179.8	-62.5	0	0	0	0	111.4	W45 G62 I73 Y106 V118 G119	W45-V71 HydrophobicContact CE3-CG1 4.21Å; W45-V71 HydrophobicContact CE3-CG2 4.21Å; W45-V71 HydrophobicContact CZ3-CG1 3.87Å; G62-V71 VanDerWaalsContact C-CG2 3.47Å; G62-V71 PolarHBondContact N-O 3.15Å; G62-V71 PolarHBondContact O-N 2.84Å; V71-I73 HydrophobicContact CG2-CD1 4.23Å; V71-I73 HydrophobicContact CG2-CG1 3.95Å; V71-Y106 HydrophobicContact CG1-CD2 3.8Å; V71-Y106 HydrophobicContact CG1-CE2 3.88Å; V71-V118 HydrophobicContact CB-CG1 3.78Å; V71-V118 HydrophobicContact CG1-CG1 4.09Å; V71-V118 HydrophobicContact CG2-CG1 3.78Å; V71-G119 WeakPolarHBondContact CA-O 3.44Å
72	S	95.7	Very high	88.9	Confident	12 Å²	12	67.9 Å²	67.9	8%	0.084	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.1	161.8	-174.9	0	0	0	0	109.1	E59 V118 G119 E120	E59-S72 PolarHBondContact OE1-OG 3.12Å; S72-V118 WeakPolarHBondContact O-CA 3.24Å; S72-G119 PolarHBondContact N-O 3.45Å; S72-G119 PolarHBondContact O-N 2.78Å; S72-E120 WeakPolarHBondContact CB-O 3.32Å
73	I	96	Very high	87.9	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.1	177.2	-58.7	174.1	0	0	0	108	L41 W45 I47 E59 Y60 V71 L75 V117 V118	L41-I73 HydrophobicContact CD1-CD1 4.41Å; L41-I73 HydrophobicContact CD1-CG2 3.49Å; L41-I73 VanDerWaalsContact CD1-CG2 3.49Å; W45-I73 HydrophobicContact CB-CD1 4.01Å; I47-I73 HydrophobicContact CG1-CD1 4.05Å; E59-I73 CarbonylContact C-O 3.46Å; E59-I73 WeakPolarHBondContact CA-O 3.19Å; Y60-I73 PolarHBondContact N-O 3.25Å; Y60-I73 PolarHBondContact O-N 3.13Å; V71-I73 HydrophobicContact CG2-CD1 4.23Å; V71-I73 HydrophobicContact CG2-CG1 3.95Å; I73-L75 HydrophobicContact CG2-CD2 4.19Å; I73-V117 WeakPolarHBondContact CA-O 3.43Å; I73-V118 HydrophobicContact CG1-CG1 4.27Å; I73-V118 HydrophobicContact CG1-CG2 4.27Å
74	R	93.5	Very high	87.2	Confident	39 Å²	39	72.6 Å²	72.6	15%	0.147	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.4	174.5	-170.7	-176.1	-54.7	127.4	11.1	109.7	Y116 V117	R74-Y116 CarbonylContact O-C 3.59Å; R74-Y116 WeakPolarHBondContact O-CA 3.48Å; R74-V117 PolarHBondContact N-O 3.5Å; R74-V117 PolarHBondContact O-N 2.91Å
75	L	93.1	Very high	86.6	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.6	169.1	-56.1	-176.9	0	0	0	109.4	W34 L35 L41 S57 Q58 Y60 I73 H115 Y116	W34-L75 HydrophobicContact CE3-CB 3.85Å; W34-L75 HydrophobicContact CE3-CD1 4.39Å; W34-L75 HydrophobicContact CZ3-CB 3.95Å; W34-L75 WeakPolarHBondContact CZ3-O 3.31Å; L35-L75 HydrophobicContact CB-CD1 4.43Å; L35-L75 HydrophobicContact CD1-CD1 3.54Å; L35-L75 HydrophobicContact CG-CD1 3.83Å; L41-L75 HydrophobicContact CD1-CD2 4.13Å; S57-L75 CarbonylContact C-O 3.57Å; S57-L75 WeakPolarHBondContact CA-O 3.39Å; S57-L75 VanDerWaalsContact CB-O 3.3Å; S57-L75 WeakPolarHBondContact CB-O 3.2Å; Q58-L75 PolarHBondContact N-O 3.11Å; Q58-L75 PolarHBondContact O-N 2.83Å; Y60-L75 HydrophobicContact CD2-CD1 4.24Å; Y60-L75 HydrophobicContact CD2-CG 4.23Å; Y60-L75 HydrophobicContact CE2-CD1 3.56Å; Y60-L75 HydrophobicContact CE2-CG 3.92Å; I73-L75 HydrophobicContact CG2-CD2 4.19Å; L75-H115 CarbonylContact C-O 3.55Å; L75-H115 VanDerWaalsContact CA-O 3.31Å; L75-H115 WeakPolarHBondContact CA-O 3.41Å; L75-Y116 VanDerWaalsContact CD2-CB 3.42Å
76	T	90.2	Very high	86.1	Confident	35 Å²	35	73 Å²	73	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.9	173.1	-60	0	0	0	0	109.7	Y56 V78 H115	Y56-T76 WeakPolarHBondContact O-CA 3.49Å; T76-V78 HydrophobicContact CG2-CG2 4.13Å; T76-H115 PolarHBondContact N-O 3.07Å; T76-H115 PolarHBondContact O-N 3.41Å
77	R	86.3	Confident	85.8	Confident	106 Å²	106	68.9 Å²	68.9	40%	0.4	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119	167.8	-80.9	177.7	-178.7	-165.1	-6.1	108	W34 Y56 Y114	W34-R77 HydrophobicContact CE3-CG 4.45Å; W34-R77 HydrophobicContact CH2-CB 4.03Å; W34-R77 HydrophobicContact CH2-CG 3.52Å; W34-R77 HydrophobicContact CZ2-CG 3.79Å; W34-R77 HydrophobicContact CZ3-CG 3.89Å; Y56-R77 PolarHBondContact O-N 3.49Å; R77-Y114 HydrophobicContact CG-CD1 3.74Å; R77-Y114 HydrophobicContact CG-CE1 3.57Å
78	V	72.1	Confident	85.6	Confident	30 Å²	30	68.3 Å²	68.3	18%	0.182	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-103.2	119.2	-179.9	173.1	0	0	0	0	109.3	T76 Q82 L86 H115	T76-V78 HydrophobicContact CG2-CG2 4.13Å; V78-Q82 HydrophobicContact CG1-CB 4.05Å; V78-L86 HydrophobicContact CG2-CB 4.43Å; V78-H115 VanDerWaalsContact CB-CD2 3.48Å; V78-H115 WeakPolarHBondContact CB-CD2 3.31Å; V78-H115 WeakPolarHBondContact CG2-CD2 3.45Å
79	K	72.4	Confident	85.4	Confident	115 Å²	115	63.7 Å²	63.7	50%	0.5	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-74.3	152.4	162.9	-65.4	-176.7	179.3	179.5	0	108.5	H81 Q82	K79-H81 VanDerWaalsContact CB-CE1 3.49Å; K79-H81 WeakPolarHBondContact CB-CE1 3.12Å; K79-H81 PolarHBondContact O-N 2.83Å; K79-Q82 HydrophobicContact CB-CG 4.48Å; K79-Q82 WeakPolarHBondContact O-CB 3.33Å; K79-Q82 PolarHBondContact O-N 2.73Å
80	R	67.2	Low	85.2	Confident	230 Å²	230	58.5 Å²	58.5	87%	0.868	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-49.3	-34.6	-176.7	-74.4	-176.2	177.7	168.7	-0.7	114.6	Q82 H83	R80-Q82 VanDerWaalsContact C-N 3.28Å; R80-Q82 PolarHBondContact O-N 2.68Å; R80-H83 PolarHBondContact O-CD2 3.01Å
81	H	66.9	Low	85.1	Confident	129 Å²	129	57.2 Å²	57.2	60%	0.597	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-78.5	-7.1	179.7	61.3	-89	0	0	0	114.4	K79	K79-H81 VanDerWaalsContact CB-CE1 3.49Å; K79-H81 WeakPolarHBondContact CB-CE1 3.12Å; K79-H81 PolarHBondContact O-N 2.83Å
82	Q	71.1	Confident	85.1	Confident	28 Å²	28	57 Å²	57	13%	0.131	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-103.2	1.8	-176.1	-63.5	175.4	-41.6	0	0	113.3	V78 K79 R80 S84 W85 L86	V78-Q82 HydrophobicContact CG1-CB 4.05Å; K79-Q82 HydrophobicContact CB-CG 4.48Å; K79-Q82 WeakPolarHBondContact O-CB 3.33Å; K79-Q82 PolarHBondContact O-N 2.73Å; R80-Q82 VanDerWaalsContact C-N 3.28Å; R80-Q82 PolarHBondContact O-N 2.68Å; Q82-S84 PolarHBondContact O-N 3.41Å; Q82-W85 HydrophobicContact CG-CE3 4.2Å; Q82-W85 HydrophobicContact CG-CZ3 4.4Å; Q82-W85 WeakPolarHBondContact O-CB 3.45Å; Q82-W85 PolarHBondContact O-N 3.19Å; Q82-L86 PolarHBondContact O-N 2.79Å
83	H	74.8	Confident	85	Confident	94 Å²	94	57 Å²	57	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-35.2	176.9	-74.9	-63.2	0	0	0	112.4	R80 W85 L86 A87 H115	R80-H83 PolarHBondContact O-CD2 3.01Å; H83-W85 VanDerWaalsContact C-N 3.33Å; H83-W85 PolarHBondContact O-N 3.26Å; H83-L86 PolarHBondContact O-N 2.85Å; H83-A87 PolarHBondContact O-N 3.25Å; H83-H115 AromaticContact CE1-NE2 3.88Å; H83-H115 AromaticContact ND1-NE2 3.76Å
84	S	82.9	Confident	84.9	Confident	75 Å²	75	59.6 Å²	59.6	52%	0.524	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-34.8	176	58.3	0	0	0	0	112.9	Q82 M88	Q82-S84 PolarHBondContact O-N 3.41Å; S84-M88 WeakPolarHBondContact O-CB 3.08Å; S84-M88 PolarHBondContact O-N 2.79Å
85	W	85.8	Confident	84.9	Confident	78 Å²	78	62.5 Å²	62.5	30%	0.295	32%	0.315	S	S	.	.	H	α-helix	trans	-69.4	-40.6	177.1	-66.4	1.4	0	0	0	111.3	Q82 H83 M88 D89 G190 Y212	Q82-W85 HydrophobicContact CG-CE3 4.2Å; Q82-W85 HydrophobicContact CG-CZ3 4.4Å; Q82-W85 WeakPolarHBondContact O-CB 3.45Å; Q82-W85 PolarHBondContact O-N 3.19Å; H83-W85 VanDerWaalsContact C-N 3.33Å; H83-W85 PolarHBondContact O-N 3.26Å; W85-M88 WeakPolarHBondContact O-CB 3.42Å; W85-M88 PolarHBondContact O-N 2.77Å; W85-D89 WeakPolarHBondContact O-CB 3.41Å; W85-D89 PolarHBondContact O-N 2.87Å; W85-G190 WeakPolarHBondContact CA-O 3.39Å; W85-G190 WeakPolarHBondContact CB-O 3.48Å; W85-G190 WeakPolarHBondContact O-CA 3.39Å; W85-Y212 AromaticContact CH2-CD1 3.93Å; W85-Y212 HydrophobicContact CH2-CD1 3.93Å; W85-Y212 HydrophobicContact CH2-CG 4.39Å; W85-Y212 AromaticContact CZ2-CD1 3.31Å; W85-Y212 HydrophobicContact CZ2-CD1 3.31Å; W85-Y212 HydrophobicContact CZ2-CD2 4.44Å; W85-Y212 AromaticContact CZ2-CE1 3.64Å; W85-Y212 HydrophobicContact CZ2-CE1 3.64Å; W85-Y212 AromaticContact CZ2-CG 3.74Å; W85-Y212 HydrophobicContact CZ2-CG 3.74Å
86	L	85.6	Confident	85.1	Confident	17 Å²	17	62.5 Å²	62.5	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-66.4	-43.7	176.3	-174.8	83.7	0	0	0	111.7	V78 Q82 H83 M88 D89 I90 H115	V78-L86 HydrophobicContact CG2-CB 4.43Å; Q82-L86 PolarHBondContact O-N 2.79Å; H83-L86 PolarHBondContact O-N 2.85Å; L86-M88 PolarHBondContact O-N 3.46Å; L86-D89 PolarHBondContact O-N 2.88Å; L86-D89 VanDerWaalsContact O-N 3.09Å; L86-I90 HydrophobicContact CD1-CD1 4.21Å; L86-I90 HydrophobicContact CD1-CG1 4.49Å; L86-I90 HydrophobicContact CD2-CD1 3.95Å; L86-I90 HydrophobicContact CG-CD1 3.75Å; L86-I90 HydrophobicContact CG-CG1 4.29Å; L86-I90 WeakPolarHBondContact O-CG1 3.36Å; L86-I90 PolarHBondContact O-N 2.77Å; L86-H115 HydrophobicContact CD1-CB 3.87Å; L86-H115 HydrophobicContact CD2-CB 3.52Å; L86-H115 WeakPolarHBondContact CD2-CE1 3.26Å; L86-H115 WeakPolarHBondContact CD2-ND1 3.42Å; L86-H115 HydrophobicContact CG-CB 4.34Å
87	A	89.1	Confident	85.1	Confident	67 Å²	67	63.2 Å²	63.2	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-57.5	-40	175.8	0	0	0	0	0	111.1	H83 G91	H83-A87 PolarHBondContact O-N 3.25Å; A87-G91 PolarHBondContact O-N 3.43Å
88	M	92.8	Very high	85	Confident	64 Å²	64	61.3 Å²	61.3	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-46	173	-169	66.1	63.1	0	0	112.1	S84 W85 L86 I90 G91 V92 F162 F189 C192	S84-M88 WeakPolarHBondContact O-CB 3.08Å; S84-M88 PolarHBondContact O-N 2.79Å; W85-M88 WeakPolarHBondContact O-CB 3.42Å; W85-M88 PolarHBondContact O-N 2.77Å; L86-M88 PolarHBondContact O-N 3.46Å; M88-I90 PolarHBondContact O-N 3.3Å; M88-G91 PolarHBondContact O-N 2.67Å; M88-V92 HydrophobicContact CG-CG2 4.3Å; M88-V92 WeakPolarHBondContact O-CB 3.06Å; M88-V92 WeakPolarHBondContact O-CG2 3.37Å; M88-V92 PolarHBondContact O-N 2.97Å; M88-V92 HydrophobicContact SD-CG2 3.96Å; M88-F162 HydrophobicContact SD-CD1 4.5Å; M88-F162 HydrophobicContact SD-CE1 4.13Å; M88-F189 VanDerWaalsContact CG-O 3.3Å; M88-F189 WeakPolarHBondContact CG-O 3.27Å; M88-C192 HydrophobicContact CG-CB 3.84Å; M88-C192 HydrophobicContact SD-CB 4.22Å
89	D	92	Very high	86.1	Confident	9 Å²	9	63.6 Å²	63.6	5%	0.048	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-48.9	-179.8	-169.8	45.6	0	0	0	111.6	W85 L86 S93 N188 F189	W85-D89 WeakPolarHBondContact O-CB 3.41Å; W85-D89 PolarHBondContact O-N 2.87Å; L86-D89 PolarHBondContact O-N 2.88Å; L86-D89 VanDerWaalsContact O-N 3.09Å; D89-S93 WeakPolarHBondContact O-CB 3.41Å; D89-S93 PolarHBondContact O-N 3.25Å; D89-S93 PolarHBondContact O-OG 3.01Å; D89-N188 WeakPolarHBondContact OD1-CA 3.25Å; D89-F189 PolarHBondContact OD1-N 3.27Å
90	I	90.3	Very high	87	Confident	27 Å²	27	64.2 Å²	64.2	14%	0.138	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-45.9	178.7	-66.2	170	0	0	0	110.6	L86 M88 S93 S94 F108 V117	L86-I90 HydrophobicContact CD1-CD1 4.21Å; L86-I90 HydrophobicContact CD1-CG1 4.49Å; L86-I90 HydrophobicContact CD2-CD1 3.95Å; L86-I90 HydrophobicContact CG-CD1 3.75Å; L86-I90 HydrophobicContact CG-CG1 4.29Å; L86-I90 WeakPolarHBondContact O-CG1 3.36Å; L86-I90 PolarHBondContact O-N 2.77Å; M88-I90 PolarHBondContact O-N 3.3Å; I90-S93 PolarHBondContact O-N 3.05Å; I90-S94 VanDerWaalsContact O-CB 3.24Å; I90-S94 WeakPolarHBondContact O-CB 3.48Å; I90-S94 PolarHBondContact O-N 2.9Å; I90-S94 PolarHBondContact O-OG 3.39Å; I90-F108 HydrophobicContact CD1-CB 4.25Å; I90-F108 HydrophobicContact CD1-CD2 3.78Å; I90-F108 HydrophobicContact CD1-CE2 4.43Å; I90-F108 HydrophobicContact CD1-CG 4.12Å; I90-F108 HydrophobicContact CG1-CB 4.49Å; I90-F108 HydrophobicContact CG1-CD2 4.46Å; I90-F108 HydrophobicContact CG1-CG 4.39Å; I90-F108 HydrophobicContact CG2-CD1 3.75Å; I90-F108 HydrophobicContact CG2-CD2 3.82Å; I90-F108 HydrophobicContact CG2-CE1 3.67Å; I90-F108 HydrophobicContact CG2-CE2 3.75Å; I90-F108 HydrophobicContact CG2-CG 3.82Å; I90-F108 HydrophobicContact CG2-CZ 3.67Å; I90-V117 HydrophobicContact CG1-CG2 4.37Å
91	G	94	Very high	88.4	Confident	41 Å²	41	53.6 Å²	53.6	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-47.3	-178.5	0	0	0	0	0	112.4	A87 M88 K95	A87-G91 PolarHBondContact O-N 3.43Å; M88-G91 PolarHBondContact O-N 2.67Å; G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 3.48Å
92	V	95.8	Very high	89.7	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-46.2	177.1	176	0	0	0	0	110.8	M88 S94 K95 M96 L157 F162 F189 C192	M88-V92 HydrophobicContact CG-CG2 4.3Å; M88-V92 WeakPolarHBondContact O-CB 3.06Å; M88-V92 WeakPolarHBondContact O-CG2 3.37Å; M88-V92 PolarHBondContact O-N 2.97Å; M88-V92 HydrophobicContact SD-CG2 3.96Å; V92-S94 VanDerWaalsContact C-N 3.26Å; V92-S94 PolarHBondContact O-N 2.9Å; V92-K95 PolarHBondContact O-N 2.91Å; V92-K95 VanDerWaalsContact O-N 3.16Å; V92-M96 HydrophobicContact CG1-CG 4.03Å; V92-M96 WeakPolarHBondContact O-CB 3.48Å; V92-M96 VanDerWaalsContact O-CG 3.23Å; V92-M96 WeakPolarHBondContact O-CG 3.23Å; V92-M96 PolarHBondContact O-N 2.9Å; V92-L157 HydrophobicContact CG1-CD1 3.7Å; V92-F162 HydrophobicContact CG2-CD1 3.93Å; V92-F162 HydrophobicContact CG2-CD2 4.29Å; V92-F162 HydrophobicContact CG2-CE1 3.91Å; V92-F162 HydrophobicContact CG2-CE2 4.27Å; V92-F162 HydrophobicContact CG2-CG 4.13Å; V92-F162 HydrophobicContact CG2-CZ 4.09Å; V92-F189 HydrophobicContact CB-CB 3.74Å; V92-F189 HydrophobicContact CB-CD2 4.38Å; V92-F189 HydrophobicContact CB-CG 4.05Å; V92-F189 HydrophobicContact CG1-CB 3.77Å; V92-F189 HydrophobicContact CG1-CD1 3.85Å; V92-F189 HydrophobicContact CG1-CD2 4.08Å; V92-F189 HydrophobicContact CG1-CE1 4.49Å; V92-F189 HydrophobicContact CG1-CG 3.61Å; V92-F189 HydrophobicContact CG2-CB 4.39Å; V92-C192 HydrophobicContact CG2-CB 4.11Å
93	S	93.9	Very high	90.8	Very high	12 Å²	12	47.6 Å²	47.6	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-42.1	177.3	-61	0	0	0	0	112.1	D89 I90 M96 T97 F189	D89-S93 WeakPolarHBondContact O-CB 3.41Å; D89-S93 PolarHBondContact O-N 3.25Å; D89-S93 PolarHBondContact O-OG 3.01Å; I90-S93 PolarHBondContact O-N 3.05Å; S93-M96 PolarHBondContact O-N 2.82Å; S93-T97 PolarHBondContact O-N 2.85Å; S93-T97 PolarHBondContact O-OG1 3.07Å; S93-F189 WeakPolarHBondContact OG-CD2 3.48Å; S93-F189 WeakPolarHBondContact OG-CE2 3.24Å
94	S	92.6	Very high	91.6	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-44.4	178	-56.9	0	0	0	0	111.2	I90 V92 M96 T97	I90-S94 VanDerWaalsContact O-CB 3.24Å; I90-S94 WeakPolarHBondContact O-CB 3.48Å; I90-S94 PolarHBondContact O-N 2.9Å; I90-S94 PolarHBondContact O-OG 3.39Å; V92-S94 VanDerWaalsContact C-N 3.26Å; V92-S94 PolarHBondContact O-N 2.9Å; S94-M96 VanDerWaalsContact C-N 3.26Å; S94-M96 PolarHBondContact O-N 3.09Å; S94-T97 WeakPolarHBondContact O-CB 3.44Å; S94-T97 PolarHBondContact O-N 3.01Å
95	K	94.7	Very high	92.1	Very high	100 Å²	100	43.2 Å²	43.2	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-33.2	176.8	-170.9	-178.3	-176.5	179.5	0	112.7	G91 V92 N160 F162	G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 3.48Å; V92-K95 PolarHBondContact O-N 2.91Å; V92-K95 VanDerWaalsContact O-N 3.16Å; K95-N160 PolarHBondContact NZ-O 3.06Å; K95-F162 HydrophobicContact CD-CE2 3.82Å
96	M	96	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-92.5	-7	-176.8	-59.1	-55	-72.8	0	0	113.6	V92 S93 S94 G98 K99 F102 S156 L157 N160	V92-M96 HydrophobicContact CG1-CG 4.03Å; V92-M96 WeakPolarHBondContact O-CB 3.48Å; V92-M96 VanDerWaalsContact O-CG 3.23Å; V92-M96 WeakPolarHBondContact O-CG 3.23Å; V92-M96 PolarHBondContact O-N 2.9Å; S93-M96 PolarHBondContact O-N 2.82Å; S94-M96 VanDerWaalsContact C-N 3.26Å; S94-M96 PolarHBondContact O-N 3.09Å; M96-G98 PolarHBondContact O-N 3.29Å; M96-K99 HydrophobicContact CE-CD 3.76Å; M96-K99 WeakPolarHBondContact O-CB 3.45Å; M96-K99 WeakPolarHBondContact O-CG 3.21Å; M96-K99 PolarHBondContact O-N 3.47Å; M96-K99 VanDerWaalsContact O-N 3.08Å; M96-K99 HydrophobicContact SD-CD 4.13Å; M96-F102 HydrophobicContact CB-CB 4.02Å; M96-F102 HydrophobicContact CB-CD1 3.35Å; M96-F102 HydrophobicContact CB-CD2 4.16Å; M96-F102 HydrophobicContact CB-CE1 3.83Å; M96-F102 HydrophobicContact CB-CG 3.56Å; M96-F102 HydrophobicContact CB-CZ 4.47Å; M96-F102 HydrophobicContact CE-CD1 4.3Å; M96-F102 HydrophobicContact CE-CD2 3.94Å; M96-F102 HydrophobicContact CE-CE1 3.75Å; M96-F102 HydrophobicContact CE-CE2 3.41Å; M96-F102 VanDerWaalsContact CE-CE2 3.41Å; M96-F102 HydrophobicContact CE-CG 4.4Å; M96-F102 HydrophobicContact CE-CZ 3.29Å; M96-F102 HydrophobicContact CG-CD1 3.89Å; M96-F102 HydrophobicContact CG-CE1 3.82Å; M96-F102 HydrophobicContact CG-CG 4.43Å; M96-F102 HydrophobicContact CG-CZ 4.37Å; M96-F102 WeakPolarHBondContact O-CB 3.31Å; M96-S156 WeakPolarHBondContact CE-OG 3.08Å; M96-L157 HydrophobicContact CG-CD1 4.39Å; M96-N160 HydrophobicContact CE-CB 4.32Å; M96-N160 HydrophobicContact SD-CB 3.62Å; M96-N160 VanDerWaalsContact SD-CG 3.57Å
97	T	90	Very high	92.9	Very high	50 Å²	50	45.5 Å²	45.5	31%	0.307	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	132.4	179.5	-74.4	0	0	0	0	111	S93 S94 K99 T104	S93-T97 PolarHBondContact O-N 2.85Å; S93-T97 PolarHBondContact O-OG1 3.07Å; S94-T97 WeakPolarHBondContact O-CB 3.44Å; S94-T97 PolarHBondContact O-N 3.01Å; T97-K99 VanDerWaalsContact C-N 3.32Å; T97-T104 HydrophobicContact CG2-CG2 3.82Å
98	G	86	Confident	93	Very high	65 Å²	65	46.7 Å²	46.7	67%	0.67	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-8.9	-178.6	0	0	0	0	0	114.9	M96	M96-G98 PolarHBondContact O-N 3.29Å
99	K	93.3	Very high	92.9	Very high	79 Å²	79	44.3 Å²	44.3	34%	0.343	25%	0.252	S	S	.	.	S	Bend	trans	-82.2	153.4	172.4	-58.6	-169.9	-178.7	-155.8	0	111.2	M96 T97 F102 N160	M96-K99 HydrophobicContact CE-CD 3.76Å; M96-K99 WeakPolarHBondContact O-CB 3.45Å; M96-K99 WeakPolarHBondContact O-CG 3.21Å; M96-K99 PolarHBondContact O-N 3.47Å; M96-K99 VanDerWaalsContact O-N 3.08Å; M96-K99 HydrophobicContact SD-CD 4.13Å; T97-K99 VanDerWaalsContact C-N 3.32Å; K99-F102 HydrophobicContact CB-CD2 3.88Å; K99-F102 PolarHBondContact O-N 2.89Å; K99-N160 PolarHBondContact NZ-ND2 3.15Å; K99-N160 PolarHBondContact NZ-OD1 3.32Å
100	E	92.1	Very high	92.8	Very high	127 Å²	127	50.1 Å²	50.1	59%	0.593	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	139.9	175.7	-164.4	165.9	-159.3	0	0	111.3	F102	E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 WeakPolarHBondContact O-CD2 3.22Å; E100-F102 WeakPolarHBondContact O-CE2 3.33Å; E100-F102 PolarHBondContact O-N 3.32Å
101	H	96	Very high	92.8	Very high	8 Å²	8	52 Å²	52	4%	0.037	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	11.1	-172.7	-44	-73.7	0	0	0	116.6	D149 E152 A153 L184 Y185 I186	H101-D149 IonicContact CE1-OD1 2.85Å; H101-E152 IonicContact CE1-OE2 3.77Å; H101-E152 VanDerWaalsContact NE2-CB 3.35Å; H101-E152 WeakPolarHBondContact NE2-CB 3.45Å; H101-E152 IonicContact NE2-OE2 3.36Å; H101-E152 PolarHBondContact NE2-OE2 3.23Å; H101-A153 HydrophobicContact CB-CB 3.5Å; H101-A153 VanDerWaalsContact CB-CB 3.5Å; H101-L184 WeakPolarHBondContact CA-O 3.15Å; H101-L184 VanDerWaalsContact CB-O 3.29Å; H101-L184 WeakPolarHBondContact CB-O 3.5Å; H101-L184 PolarHBondContact ND1-O 3Å; H101-Y185 CarbonylContact O-C 3.51Å; H101-Y185 VanDerWaalsContact O-CA 3.23Å; H101-Y185 WeakPolarHBondContact O-CA 3.34Å; H101-I186 PolarHBondContact O-N 2.85Å
102	F	95.7	Very high	92.5	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.031	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-120.2	122.3	173.1	-60.4	-93.8	0	0	0	110.7	M96 K99 E100 L157 I186 F189	M96-F102 HydrophobicContact CB-CB 4.02Å; M96-F102 HydrophobicContact CB-CD1 3.35Å; M96-F102 HydrophobicContact CB-CD2 4.16Å; M96-F102 HydrophobicContact CB-CE1 3.83Å; M96-F102 HydrophobicContact CB-CG 3.56Å; M96-F102 HydrophobicContact CB-CZ 4.47Å; M96-F102 HydrophobicContact CE-CD1 4.3Å; M96-F102 HydrophobicContact CE-CD2 3.94Å; M96-F102 HydrophobicContact CE-CE1 3.75Å; M96-F102 HydrophobicContact CE-CE2 3.41Å; M96-F102 VanDerWaalsContact CE-CE2 3.41Å; M96-F102 HydrophobicContact CE-CG 4.4Å; M96-F102 HydrophobicContact CE-CZ 3.29Å; M96-F102 HydrophobicContact CG-CD1 3.89Å; M96-F102 HydrophobicContact CG-CE1 3.82Å; M96-F102 HydrophobicContact CG-CG 4.43Å; M96-F102 HydrophobicContact CG-CZ 4.37Å; M96-F102 WeakPolarHBondContact O-CB 3.31Å; K99-F102 HydrophobicContact CB-CD2 3.88Å; K99-F102 PolarHBondContact O-N 2.89Å; E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 WeakPolarHBondContact O-CD2 3.22Å; E100-F102 WeakPolarHBondContact O-CE2 3.33Å; E100-F102 PolarHBondContact O-N 3.32Å; F102-L157 HydrophobicContact CE1-CD1 4.33Å; F102-L157 HydrophobicContact CZ-CB 4.23Å; F102-I186 HydrophobicContact CD1-CG2 3.82Å; F102-I186 HydrophobicContact CE1-CG2 3.34Å; F102-I186 HydrophobicContact CE2-CG2 4.35Å; F102-I186 HydrophobicContact CZ-CG2 3.62Å; F102-F189 HydrophobicContact CD1-CE1 4.19Å; F102-F189 HydrophobicContact CD1-CE2 4.35Å; F102-F189 AromaticContact CD1-CZ 3.56Å; F102-F189 HydrophobicContact CD1-CZ 3.56Å; F102-F189 AromaticContact CE1-CE1 3.77Å; F102-F189 HydrophobicContact CE1-CE1 3.77Å; F102-F189 AromaticContact CE1-CZ 3.63Å; F102-F189 HydrophobicContact CE1-CZ 3.63Å
103	A	92.7	Very high	92	Very high	24 Å²	24	60.1 Å²	60.1	20%	0.198	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.4	138.6	177.8	0	0	0	0	0	110.3	I105 E120 T122 Y185	A103-I105 PolarHBondContact O-N 3.05Å; A103-E120 HydrophobicContact CB-CB 4.42Å; A103-T122 HydrophobicContact CB-CG2 4.42Å; A103-Y185 HydrophobicContact CB-CD1 4.26Å; A103-Y185 HydrophobicContact CB-CG 4.34Å
104	T	92.5	Very high	91.8	Very high	42 Å²	42	61.1 Å²	61.1	26%	0.258	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-67.1	129.5	177.4	-59.1	0	0	0	0	110.2	T97 Y106 G119 E120	T97-T104 HydrophobicContact CG2-CG2 3.82Å; T104-Y106 HydrophobicContact CG2-CD1 3.8Å; T104-Y106 HydrophobicContact CG2-CE1 3.47Å; T104-Y106 VanDerWaalsContact CG2-CE1 3.47Å; T104-G119 CarbonylContact O-C 3.46Å; T104-G119 WeakPolarHBondContact O-CA 3.18Å; T104-E120 PolarHBondContact O-N 2.75Å
105	I	92.6	Very high	91.7	Very high	35 Å²	35	59.1 Å²	59.1	18%	0.179	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.8	170.4	-57.5	-50.1	0	0	0	109.1	A103 F108 V117	A103-I105 PolarHBondContact O-N 3.05Å; I105-F108 HydrophobicContact CG2-CD1 4.38Å; I105-V117 HydrophobicContact CD1-CG1 3.59Å; I105-V117 HydrophobicContact CG1-CG1 4.37Å; I105-V117 HydrophobicContact CG2-CG1 4.05Å
106	Y	93.7	Very high	91.6	Very high	107 Å²	107	54.8 Å²	54.8	42%	0.42	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-37.5	179.2	-55.2	-40.3	0	0	0	112.4	V71 T104 V118 G119	V71-Y106 HydrophobicContact CG1-CD2 3.8Å; V71-Y106 HydrophobicContact CG1-CE2 3.88Å; T104-Y106 HydrophobicContact CG2-CD1 3.8Å; T104-Y106 HydrophobicContact CG2-CE1 3.47Å; T104-Y106 VanDerWaalsContact CG2-CE1 3.47Å; Y106-V118 HydrophobicContact CD2-CG1 4.38Å; Y106-V118 PolarHBondContact N-O 3.32Å; Y106-G119 VanDerWaalsContact CD2-C 3.48Å; Y106-G119 VanDerWaalsContact CE2-O 3.3Å; Y106-G119 WeakPolarHBondContact CE2-O 3.48Å
107	D	94.6	Very high	91.5	Very high	35 Å²	35	55.5 Å²	55.5	19%	0.187	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	160	-179.4	-164.1	11.2	0	0	0	110.1	N42 W45 Y116 V118	N42-D107 PolarHBondContact ND2-OD2 3.16Å; W45-D107 HydrophobicContact CZ2-CB 3.64Å; W45-D107 PolarHBondContact NE1-OD2 2.79Å; D107-Y116 PolarHBondContact OD2-OH 2.83Å; D107-V118 HydrophobicContact CB-CB 4.17Å; D107-V118 HydrophobicContact CB-CG2 4.26Å; D107-V118 PolarHBondContact N-O 2.86Å; D107-V118 PolarHBondContact O-N 3.03Å
108	F	92.6	Very high	91.7	Very high	92 Å²	92	53.1 Å²	53.1	40%	0.404	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.6	169.7	59.8	-94.3	0	0	0	109.5	I90 I105 Y116 V117	I90-F108 HydrophobicContact CD1-CB 4.25Å; I90-F108 HydrophobicContact CD1-CD2 3.78Å; I90-F108 HydrophobicContact CD1-CE2 4.43Å; I90-F108 HydrophobicContact CD1-CG 4.12Å; I90-F108 HydrophobicContact CG1-CB 4.49Å; I90-F108 HydrophobicContact CG1-CD2 4.46Å; I90-F108 HydrophobicContact CG1-CG 4.39Å; I90-F108 HydrophobicContact CG2-CD1 3.75Å; I90-F108 HydrophobicContact CG2-CD2 3.82Å; I90-F108 HydrophobicContact CG2-CE1 3.67Å; I90-F108 HydrophobicContact CG2-CE2 3.75Å; I90-F108 HydrophobicContact CG2-CG 3.82Å; I90-F108 HydrophobicContact CG2-CZ 3.67Å; I105-F108 HydrophobicContact CG2-CD1 4.38Å; F108-Y116 CarbonylContact C-O 3.49Å; F108-Y116 WeakPolarHBondContact CA-O 3.09Å; F108-Y116 WeakPolarHBondContact CB-O 2.86Å; F108-V117 HydrophobicContact CB-CG2 4.23Å
109	G	90.8	Very high	92.1	Very high	15 Å²	15	50.3 Å²	50.3	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.4	-154.7	177.4	0	0	0	0	0	112.8	H115 Y116	G109-H115 CarbonylContact O-C 3.56Å; G109-H115 VanDerWaalsContact O-CA 3.31Å; G109-H115 WeakPolarHBondContact O-CA 3.48Å; G109-Y116 VanDerWaalsContact C-CD1 3.45Å; G109-Y116 PolarHBondContact N-O 3.43Å; G109-Y116 WeakPolarHBondContact O-CD1 3.16Å; G109-Y116 PolarHBondContact O-N 2.76Å
110	H	89.7	Confident	92	Very high	131 Å²	131	48 Å²	48	61%	0.606	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.6	-179	-68.5	-114.9	0	0	0	110.7	Y114 H115	H110-Y114 WeakPolarHBondContact CA-O 3.34Å; H110-H115 AromaticContact CD2-ND1 3.69Å; H110-H115 AromaticContact CE1-CE1 2.76Å; H110-H115 PolarHBondContact CE1-CE1 2.8Å; H110-H115 AromaticContact CE1-ND1 3.05Å; H110-H115 PolarHBondContact CE1-ND1 3.48Å; H110-H115 AromaticContact CE1-NE2 3.59Å; H110-H115 AromaticContact CG-ND1 3.72Å; H110-H115 AromaticContact ND1-CE1 3.31Å; H110-H115 PolarHBondContact ND1-CE1 3Å; H110-H115 VanDerWaalsContact ND1-CE1 3.31Å; H110-H115 AromaticContact ND1-CG 3.99Å; H110-H115 AromaticContact ND1-ND1 3.27Å; H110-H115 PolarHBondContact ND1-ND1 3.4Å; H110-H115 AromaticContact ND1-NE2 3.87Å; H110-H115 AromaticContact NE2-CE1 3.26Å; H110-H115 PolarHBondContact NE2-CE1 2.76Å; H110-H115 VanDerWaalsContact NE2-CE1 3.26Å; H110-H115 AromaticContact NE2-ND1 3.24Å; H110-H115 PolarHBondContact NE2-ND1 3.08Å
111	H	90.4	Very high	92	Very high	66 Å²	66	42.6 Å²	42.6	31%	0.306	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	105.7	170.8	-173.9	88.3	0	0	0	109.2	L41 N113 Y114 Y116	L41-H111 HydrophobicContact CD2-CB 3.72Å; H111-N113 PolarHBondContact O-N 2.76Å; H111-Y114 PolarHBondContact N-O 2.97Å; H111-Y114 WeakPolarHBondContact O-CB 3.39Å; H111-Y114 VanDerWaalsContact O-CD2 3.31Å; H111-Y114 WeakPolarHBondContact O-CD2 3.47Å; H111-Y114 PolarHBondContact O-N 2.76Å; H111-Y116 HydrophobicContact CB-CD1 4.09Å
112	G	87.2	Confident	91.8	Very high	71 Å²	71	43.1 Å²	43.1	73%	0.732	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	-123.8	-170.7	0	0	0	0	0	111.5	Y114	G112-Y114 VanDerWaalsContact C-N 3.29Å
113	N	86	Confident	91.7	Very high	142 Å²	142	43.3 Å²	43.3	76%	0.759	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	8.7	178.8	-64.7	-34.2	0	0	0	113.7	H111	H111-N113 PolarHBondContact O-N 2.76Å
114	Y	88.8	Confident	91.7	Very high	33 Å²	33	44 Å²	44	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140	-175.3	-48.7	-66.5	0	0	0	110.3	W34 R77 H110 H111 G112	W34-Y114 HydrophobicContact CB-CE1 4.18Å; W34-Y114 HydrophobicContact CB-CE2 4.35Å; W34-Y114 HydrophobicContact CD2-CD1 4.23Å; W34-Y114 AromaticContact CD2-CE1 3.65Å; W34-Y114 HydrophobicContact CD2-CE1 3.65Å; W34-Y114 AromaticContact CE3-CD1 3.56Å; W34-Y114 HydrophobicContact CE3-CD1 3.56Å; W34-Y114 AromaticContact CE3-CE1 3.48Å; W34-Y114 HydrophobicContact CE3-CE1 3.48Å; W34-Y114 VanDerWaalsContact CE3-CE1 3.48Å; W34-Y114 HydrophobicContact CE3-CG 4.43Å; W34-Y114 AromaticContact CG-CE1 3.98Å; W34-Y114 HydrophobicContact CG-CE1 3.98Å; W34-Y114 AromaticContact CZ3-CD1 3.87Å; W34-Y114 HydrophobicContact CZ3-CD1 3.87Å; W34-Y114 HydrophobicContact CZ3-CE1 4.05Å; R77-Y114 HydrophobicContact CG-CD1 3.74Å; R77-Y114 HydrophobicContact CG-CE1 3.57Å; H110-Y114 WeakPolarHBondContact CA-O 3.34Å; H111-Y114 PolarHBondContact N-O 2.97Å; H111-Y114 WeakPolarHBondContact O-CB 3.39Å; H111-Y114 VanDerWaalsContact O-CD2 3.31Å; H111-Y114 WeakPolarHBondContact O-CD2 3.47Å; H111-Y114 PolarHBondContact O-N 2.76Å; G112-Y114 VanDerWaalsContact C-N 3.29Å
115	H	90.5	Very high	91.8	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.9	159.6	-64.8	-101.4	0	0	0	108.6	L75 T76 V78 H83 L86 G109 H110	L75-H115 CarbonylContact C-O 3.55Å; L75-H115 VanDerWaalsContact CA-O 3.31Å; L75-H115 WeakPolarHBondContact CA-O 3.41Å; T76-H115 PolarHBondContact N-O 3.07Å; T76-H115 PolarHBondContact O-N 3.41Å; V78-H115 VanDerWaalsContact CB-CD2 3.48Å; V78-H115 WeakPolarHBondContact CB-CD2 3.31Å; V78-H115 WeakPolarHBondContact CG2-CD2 3.45Å; H83-H115 AromaticContact CE1-NE2 3.88Å; H83-H115 AromaticContact ND1-NE2 3.76Å; L86-H115 HydrophobicContact CD1-CB 3.87Å; L86-H115 HydrophobicContact CD2-CB 3.52Å; L86-H115 WeakPolarHBondContact CD2-CE1 3.26Å; L86-H115 WeakPolarHBondContact CD2-ND1 3.42Å; L86-H115 HydrophobicContact CG-CB 4.34Å; G109-H115 CarbonylContact O-C 3.56Å; G109-H115 VanDerWaalsContact O-CA 3.31Å; G109-H115 WeakPolarHBondContact O-CA 3.48Å; H110-H115 AromaticContact CD2-ND1 3.69Å; H110-H115 AromaticContact CE1-CE1 2.76Å; H110-H115 PolarHBondContact CE1-CE1 2.8Å; H110-H115 AromaticContact CE1-ND1 3.05Å; H110-H115 PolarHBondContact CE1-ND1 3.48Å; H110-H115 AromaticContact CE1-NE2 3.59Å; H110-H115 AromaticContact CG-ND1 3.72Å; H110-H115 AromaticContact ND1-CE1 3.31Å; H110-H115 PolarHBondContact ND1-CE1 3Å; H110-H115 VanDerWaalsContact ND1-CE1 3.31Å; H110-H115 AromaticContact ND1-CG 3.99Å; H110-H115 AromaticContact ND1-ND1 3.27Å; H110-H115 PolarHBondContact ND1-ND1 3.4Å; H110-H115 AromaticContact ND1-NE2 3.87Å; H110-H115 AromaticContact NE2-CE1 3.26Å; H110-H115 PolarHBondContact NE2-CE1 2.76Å; H110-H115 VanDerWaalsContact NE2-CE1 3.26Å; H110-H115 AromaticContact NE2-ND1 3.24Å; H110-H115 PolarHBondContact NE2-ND1 3.08Å
116	Y	92.8	Very high	92	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.1	177.6	72.4	-96.3	0	0	0	110.7	L41 N42 R74 L75 D107 F108 G109 H111 V118	L41-Y116 HydrophobicContact CD1-CD1 4.39Å; L41-Y116 HydrophobicContact CD1-CD2 4.25Å; L41-Y116 HydrophobicContact CD1-CG 3.95Å; N42-Y116 WeakPolarHBondContact CB-OH 3.37Å; R74-Y116 CarbonylContact O-C 3.59Å; R74-Y116 WeakPolarHBondContact O-CA 3.48Å; L75-Y116 VanDerWaalsContact CD2-CB 3.42Å; D107-Y116 PolarHBondContact OD2-OH 2.83Å; F108-Y116 CarbonylContact C-O 3.49Å; F108-Y116 WeakPolarHBondContact CA-O 3.09Å; F108-Y116 WeakPolarHBondContact CB-O 2.86Å; G109-Y116 VanDerWaalsContact C-CD1 3.45Å; G109-Y116 PolarHBondContact N-O 3.43Å; G109-Y116 WeakPolarHBondContact O-CD1 3.16Å; G109-Y116 PolarHBondContact O-N 2.76Å; H111-Y116 HydrophobicContact CB-CD1 4.09Å; Y116-V118 HydrophobicContact CD2-CG2 3.72Å; Y116-V118 HydrophobicContact CE2-CG2 3.99Å
117	V	93.1	Very high	92.2	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.085	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.2	168.4	178.1	0	0	0	0	107	I73 R74 I90 I105 F108	I73-V117 WeakPolarHBondContact CA-O 3.43Å; R74-V117 PolarHBondContact N-O 3.5Å; R74-V117 PolarHBondContact O-N 2.91Å; I90-V117 HydrophobicContact CG1-CG2 4.37Å; I105-V117 HydrophobicContact CD1-CG1 3.59Å; I105-V117 HydrophobicContact CG1-CG1 4.37Å; I105-V117 HydrophobicContact CG2-CG1 4.05Å; F108-V117 HydrophobicContact CB-CG2 4.23Å
118	V	95.2	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133	176.5	-170.4	0	0	0	0	108.8	W45 V71 S72 I73 Y106 D107 Y116	W45-V118 HydrophobicContact CB-CG2 4.35Å; W45-V118 HydrophobicContact CD2-CB 4.32Å; W45-V118 HydrophobicContact CD2-CG1 3.79Å; W45-V118 HydrophobicContact CD2-CG2 4.06Å; W45-V118 HydrophobicContact CE3-CG1 3.63Å; W45-V118 HydrophobicContact CG-CG1 4.3Å; W45-V118 HydrophobicContact CG-CG2 3.83Å; W45-V118 HydrophobicContact CH2-CG1 4.33Å; W45-V118 HydrophobicContact CZ3-CG1 3.88Å; V71-V118 HydrophobicContact CB-CG1 3.78Å; V71-V118 HydrophobicContact CG1-CG1 4.09Å; V71-V118 HydrophobicContact CG2-CG1 3.78Å; S72-V118 WeakPolarHBondContact O-CA 3.24Å; I73-V118 HydrophobicContact CG1-CG1 4.27Å; I73-V118 HydrophobicContact CG1-CG2 4.27Å; Y106-V118 HydrophobicContact CD2-CG1 4.38Å; Y106-V118 PolarHBondContact N-O 3.32Å; D107-V118 HydrophobicContact CB-CB 4.17Å; D107-V118 HydrophobicContact CB-CG2 4.26Å; D107-V118 PolarHBondContact N-O 2.86Å; D107-V118 PolarHBondContact O-N 3.03Å; Y116-V118 HydrophobicContact CD2-CG2 3.72Å; Y116-V118 HydrophobicContact CE2-CG2 3.99Å
119	G	93.7	Very high	92.3	Very high	6 Å²	6	34.3 Å²	34.3	6%	0.062	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-168.8	-179.5	0	0	0	0	0	114.1	V71 S72 T104 Y106	V71-G119 WeakPolarHBondContact CA-O 3.44Å; S72-G119 PolarHBondContact N-O 3.45Å; S72-G119 PolarHBondContact O-N 2.78Å; T104-G119 CarbonylContact O-C 3.46Å; T104-G119 WeakPolarHBondContact O-CA 3.18Å; Y106-G119 VanDerWaalsContact CD2-C 3.48Å; Y106-G119 VanDerWaalsContact CE2-O 3.3Å; Y106-G119 WeakPolarHBondContact CE2-O 3.48Å
120	E	92	Very high	92.6	Very high	32 Å²	32	34.1 Å²	34.1	15%	0.15	20%	0.201	C	C	.	.	S	Bend	trans	-52.6	137.4	176.8	-170.9	178.1	147.1	0	0	111.1	S72 A103 T104 T122 Y185	S72-E120 WeakPolarHBondContact CB-O 3.32Å; A103-E120 HydrophobicContact CB-CB 4.42Å; T104-E120 PolarHBondContact O-N 2.75Å; E120-T122 PolarHBondContact O-N 2.95Å; E120-Y185 PolarHBondContact OE1-OH 3.06Å
121	P	92.6	Very high	92.9	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.084	21%	0.205	C	C	.	.			trans	-54.7	124.5	170.8	-29.1	37.8	0	0	0	112.3	P70 S176	P70-P121 HydrophobicContact CB-CG 4.22Å; P70-P121 HydrophobicContact CG-CG 4.34Å; P70-P121 WeakPolarHBondContact O-CD 3.34Å; P70-P121 WeakPolarHBondContact O-CG 3.22Å; P121-S176 WeakPolarHBondContact CB-OG 3.24Å; P121-S176 PolarHBondContact O-OG 3.17Å; P121-S176 VanDerWaalsContact O-OG 3.12Å
122	T	91.5	Very high	93	Very high	18 Å²	18	38.8 Å²	38.8	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	154.7	175.2	52.7	0	0	0	0	110.8	E59 A103 E120 V173 Y185	E59-T122 PolarHBondContact OE1-OG1 3.17Å; E59-T122 VanDerWaalsContact OE1-OG1 3.13Å; A103-T122 HydrophobicContact CB-CG2 4.42Å; E120-T122 PolarHBondContact O-N 2.95Å; T122-V173 HydrophobicContact CG2-CG2 3.63Å; T122-Y185 HydrophobicContact CG2-CD2 4.37Å
123	G	92	Very high	93.4	Very high	11 Å²	11	36.5 Å²	36.5	11%	0.113	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-152.7	178.5	0	0	0	0	0	113.2	R52 V174	R52-G123 PolarHBondContact NH2-O 3.07Å; R52-G123 VanDerWaalsContact NH2-O 3.17Å; G123-V174 PolarHBondContact N-O 2.73Å
124	P	93.3	Very high	93.7	Very high	40 Å²	40	35.4 Å²	35.4	26%	0.26	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	157.2	177.3	28.4	-36.1	0	0	0	112.1	E128 L129 V173 V174	P124-E128 WeakPolarHBondContact CA-OE2 3.45Å; P124-E128 HydrophobicContact CB-CB 4.09Å; P124-L129 HydrophobicContact CB-CD2 4.15Å; P124-L129 HydrophobicContact CB-CG 3.97Å; P124-L129 HydrophobicContact CG-CD1 4.15Å; P124-L129 HydrophobicContact CG-CD2 3.49Å; P124-L129 VanDerWaalsContact CG-CD2 3.49Å; P124-L129 HydrophobicContact CG-CG 3.7Å; P124-V173 WeakPolarHBondContact O-CA 3.42Å; P124-V174 HydrophobicContact CG-CG2 3.87Å; P124-V174 PolarHBondContact O-N 2.94Å
125	T	95.6	Very high	94	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	161.4	170.1	55.7	0	0	0	0	111.1	A127 E128 L129 S170 F172 V173	T125-A127 PolarHBondContact O-N 2.81Å; T125-E128 PolarHBondContact N-OE2 2.93Å; T125-E128 PolarHBondContact O-N 2.96Å; T125-E128 VanDerWaalsContact O-N 3.11Å; T125-E128 VanDerWaalsContact OG1-CD 3.27Å; T125-E128 WeakPolarHBondContact OG1-CG 3.42Å; T125-E128 PolarHBondContact OG1-N 3.43Å; T125-E128 VanDerWaalsContact OG1-N 3.15Å; T125-E128 PolarHBondContact OG1-OE2 2.7Å; T125-L129 WeakPolarHBondContact O-CG 3.35Å; T125-L129 PolarHBondContact O-N 3.05Å; T125-S170 WeakPolarHBondContact CG2-O 3.31Å; T125-F172 CarbonylContact C-O 3.57Å; T125-F172 WeakPolarHBondContact CA-O 3.41Å; T125-F172 WeakPolarHBondContact CB-O 3.5Å; T125-V173 HydrophobicContact CG2-CG1 3.53Å
126	L	97	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-31.8	169.4	-67.7	-178	0	0	0	112.2	L129 C130 I146 M150 P169 F172 L184 M244 W322	L126-L129 HydrophobicContact CD2-CD1 4.34Å; L126-C130 VanDerWaalsContact O-CB 3.25Å; L126-C130 WeakPolarHBondContact O-CB 3.23Å; L126-C130 PolarHBondContact O-N 2.8Å; L126-I146 HydrophobicContact CD1-CD1 4.31Å; L126-I146 HydrophobicContact CD2-CD1 4.46Å; L126-I146 HydrophobicContact CD2-CG2 4.09Å; L126-M150 HydrophobicContact CD1-SD 4.35Å; L126-P169 HydrophobicContact CB-CB 4.01Å; L126-P169 PolarHBondContact N-O 3.01Å; L126-F172 HydrophobicContact CD1-CB 3.74Å; L126-F172 HydrophobicContact CD1-CD2 4.34Å; L126-F172 HydrophobicContact CD1-CG 4.2Å; L126-F172 HydrophobicContact CG-CB 3.88Å; L126-F172 PolarHBondContact N-O 3.35Å; L126-L184 HydrophobicContact CD1-CD1 4.06Å; L126-L184 HydrophobicContact CD1-CD2 4Å; L126-L184 HydrophobicContact CD2-CD1 3.75Å; L126-L184 HydrophobicContact CG-CD1 3.82Å; L126-M244 HydrophobicContact CB-CE 4.3Å; L126-W322 HydrophobicContact CD2-CH2 4.08Å
127	A	96.5	Very high	94.5	Very high	39 Å²	39	50.7 Å²	50.7	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-44.9	174.8	0	0	0	0	0	112	T125 K131 P169	T125-A127 PolarHBondContact O-N 2.81Å; A127-K131 VanDerWaalsContact O-CB 3.31Å; A127-K131 WeakPolarHBondContact O-CB 3.29Å; A127-K131 PolarHBondContact O-N 3.12Å; A127-P169 HydrophobicContact CB-CB 3.94Å; A127-P169 PolarHBondContact N-O 3.39Å
128	E	95.3	Very high	94.7	Very high	50 Å²	50	50.5 Å²	50.5	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-46.8	178.8	-73	157.3	160.5	0	0	111.3	R52 P124 T125 C130 K131 E132	R52-E128 WeakPolarHBondContact CD-OE1 3.37Å; R52-E128 IonicContact CZ-OE1 3.8Å; R52-E128 IonicContact CZ-OE2 3.56Å; R52-E128 VanDerWaalsContact CZ-OE2 3.27Å; R52-E128 VanDerWaalsContact NE-CD 3.32Å; R52-E128 IonicContact NE-OE1 2.59Å; R52-E128 PolarHBondContact NE-OE1 3.36Å; R52-E128 IonicContact NE-OE2 2.67Å; R52-E128 PolarHBondContact NE-OE2 2.94Å; R52-E128 IonicContact NH2-OE1 3.98Å; R52-E128 IonicContact NH2-OE2 3.68Å; R52-E128 PolarHBondContact NH2-OE2 2.92Å; P124-E128 WeakPolarHBondContact CA-OE2 3.45Å; P124-E128 HydrophobicContact CB-CB 4.09Å; T125-E128 PolarHBondContact N-OE2 2.93Å; T125-E128 PolarHBondContact O-N 2.96Å; T125-E128 VanDerWaalsContact O-N 3.11Å; T125-E128 VanDerWaalsContact OG1-CD 3.27Å; T125-E128 WeakPolarHBondContact OG1-CG 3.42Å; T125-E128 PolarHBondContact OG1-N 3.43Å; T125-E128 VanDerWaalsContact OG1-N 3.15Å; T125-E128 PolarHBondContact OG1-OE2 2.7Å; E128-C130 VanDerWaalsContact C-N 3.29Å; E128-C130 PolarHBondContact O-N 2.61Å; E128-K131 CarbonylContact O-C 3.43Å; E128-K131 WeakPolarHBondContact O-CB 3.29Å; E128-K131 PolarHBondContact O-N 3.07Å; E128-K131 VanDerWaalsContact O-N 3.09Å; E128-E132 WeakPolarHBondContact O-CB 3.45Å; E128-E132 WeakPolarHBondContact O-CG 3.48Å; E128-E132 PolarHBondContact O-N 2.85Å
129	L	95.4	Very high	94.8	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-57.1	-42.9	177.1	-72.2	168.9	0	0	0	111.9	P124 T125 L126 E132 N133 F138 V174 W322	P124-L129 HydrophobicContact CB-CD2 4.15Å; P124-L129 HydrophobicContact CB-CG 3.97Å; P124-L129 HydrophobicContact CG-CD1 4.15Å; P124-L129 HydrophobicContact CG-CD2 3.49Å; P124-L129 VanDerWaalsContact CG-CD2 3.49Å; P124-L129 HydrophobicContact CG-CG 3.7Å; T125-L129 WeakPolarHBondContact O-CG 3.35Å; T125-L129 PolarHBondContact O-N 3.05Å; L126-L129 HydrophobicContact CD2-CD1 4.34Å; L129-E132 PolarHBondContact O-N 2.68Å; L129-N133 PolarHBondContact O-N 3.17Å; L129-F138 HydrophobicContact CB-CE1 4.29Å; L129-F138 HydrophobicContact CB-CZ 3.78Å; L129-V174 HydrophobicContact CD1-CG1 3.65Å; L129-V174 HydrophobicContact CD1-CG2 4.26Å; L129-W322 HydrophobicContact CB-CE3 4.23Å; L129-W322 HydrophobicContact CD1-CD2 3.87Å; L129-W322 HydrophobicContact CD1-CE3 3.93Å; L129-W322 HydrophobicContact CD1-CG 4.45Å; L129-W322 HydrophobicContact CD1-CH2 4.07Å; L129-W322 HydrophobicContact CD1-CZ2 4Å; L129-W322 HydrophobicContact CD1-CZ3 4.04Å; L129-W322 HydrophobicContact CD2-CB 3.8Å; L129-W322 HydrophobicContact CD2-CD2 4Å; L129-W322 HydrophobicContact CD2-CE3 4.3Å; L129-W322 HydrophobicContact CD2-CG 3.81Å; L129-W322 HydrophobicContact CG-CD2 4.42Å; L129-W322 HydrophobicContact CG-CE3 4.39Å
130	C	96.2	Very high	95	Very high	12 Å²	12	56 Å²	56	8%	0.081	28%	0.284	C	S	.	.	H	α-helix	trans	-69	-39.4	177.3	-176.6	0	0	0	0	111.8	L126 E128 E132 N133 F138 M244	L126-C130 VanDerWaalsContact O-CB 3.25Å; L126-C130 WeakPolarHBondContact O-CB 3.23Å; L126-C130 PolarHBondContact O-N 2.8Å; E128-C130 VanDerWaalsContact C-N 3.29Å; E128-C130 PolarHBondContact O-N 2.61Å; C130-E132 VanDerWaalsContact C-N 3.29Å; C130-E132 PolarHBondContact O-N 3.43Å; C130-N133 WeakPolarHBondContact O-CB 3.48Å; C130-N133 PolarHBondContact O-N 2.96Å; C130-F138 HydrophobicContact CB-CE1 4.26Å; C130-F138 HydrophobicContact CB-CE2 3.94Å; C130-F138 HydrophobicContact CB-CZ 3.67Å; C130-F138 VanDerWaalsContact N-CZ 3.34Å; C130-M244 HydrophobicContact CB-CE 3.92Å; C130-M244 HydrophobicContact CB-SD 3.45Å; C130-M244 WeakPolarHBondContact CB-SD 3.23Å; C130-M244 PolarHBondContact SG-SD 3.04Å
131	K	95.1	Very high	95.2	Very high	159 Å²	159	56 Å²	56	69%	0.691	29%	0.285	S	S	*	.	H	α-helix	trans	-64	-34.9	174.8	-177	-178	176.8	-175	0	111.9	A127 E128 K136	A127-K131 VanDerWaalsContact O-CB 3.31Å; A127-K131 WeakPolarHBondContact O-CB 3.29Å; A127-K131 PolarHBondContact O-N 3.12Å; E128-K131 CarbonylContact O-C 3.43Å; E128-K131 WeakPolarHBondContact O-CB 3.29Å; E128-K131 PolarHBondContact O-N 3.07Å; E128-K131 VanDerWaalsContact O-N 3.09Å; K131-K136 WeakPolarHBondContact O-CD 3.32Å; K131-K136 WeakPolarHBondContact O-CE 3.46Å; K131-K136 PolarHBondContact O-NZ 2.87Å
132	E	93.7	Very high	95.4	Very high	135 Å²	135	55.3 Å²	55.3	63%	0.631	28%	0.281	S	S	*	.	H	α-helix	trans	-77.5	-29.4	178.5	-74	171.2	-174.9	0	0	112.1	E128 L129 C130	E128-E132 WeakPolarHBondContact O-CB 3.45Å; E128-E132 WeakPolarHBondContact O-CG 3.48Å; E128-E132 PolarHBondContact O-N 2.85Å; L129-E132 PolarHBondContact O-N 2.68Å; C130-E132 VanDerWaalsContact C-N 3.29Å; C130-E132 PolarHBondContact O-N 3.43Å
133	N	94.4	Very high	95.8	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.128	28%	0.276	C	S	.	.	S	Bend	trans	-55.1	129.9	175.7	-168.1	-47.8	0	0	0	110.8	L129 C130 K135 K136 R137 F138 D321	L129-N133 PolarHBondContact O-N 3.17Å; C130-N133 WeakPolarHBondContact O-CB 3.48Å; C130-N133 PolarHBondContact O-N 2.96Å; N133-K135 PolarHBondContact O-N 3.49Å; N133-K135 PolarHBondContact OD1-N 3.38Å; N133-K136 WeakPolarHBondContact O-CD 3.21Å; N133-K136 PolarHBondContact O-N 3.23Å; N133-K136 PolarHBondContact O-NZ 3.49Å; N133-R137 PolarHBondContact ND2-O 3.35Å; N133-R137 PolarHBondContact OD1-O 2.8Å; N133-F138 HydrophobicContact CB-CE1 4.33Å; N133-F138 WeakPolarHBondContact ND2-CD1 3.39Å; N133-D321 PolarHBondContact ND2-OD2 2.72Å; N133-D321 VanDerWaalsContact ND2-OD2 3.11Å
134	P	94	Very high	96.1	Very high	118 Å²	118	54 Å²	54	77%	0.766	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.9	178.8	-29.3	35.7	0	0	0	113.7	K136	P134-K136 VanDerWaalsContact C-N 3.32Å; P134-K136 PolarHBondContact O-N 3.08Å
135	K	94.9	Very high	96.3	Very high	156 Å²	156	52.8 Å²	52.8	68%	0.678	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.6	-178.5	-64.3	-179.2	179.9	173.7	0	113.6	N133 R137	N133-K135 PolarHBondContact O-N 3.49Å; N133-K135 PolarHBondContact OD1-N 3.38Å; K135-R137 HydrophobicContact CB-CG 3.82Å; K135-R137 PolarHBondContact O-N 3.39Å
136	K	95.7	Very high	96.4	Very high	109 Å²	109	52.7 Å²	52.7	47%	0.474	26%	0.262	S	S	.	.	S	Bend	trans	54.2	29	-172.8	-50.6	-60.8	169.9	-136.7	0	113.7	K131 N133 P134	K131-K136 WeakPolarHBondContact O-CD 3.32Å; K131-K136 WeakPolarHBondContact O-CE 3.46Å; K131-K136 PolarHBondContact O-NZ 2.87Å; N133-K136 WeakPolarHBondContact O-CD 3.21Å; N133-K136 PolarHBondContact O-N 3.23Å; N133-K136 PolarHBondContact O-NZ 3.49Å; P134-K136 VanDerWaalsContact C-N 3.32Å; P134-K136 PolarHBondContact O-N 3.08Å
137	R	96.9	Very high	96.4	Very high	112 Å²	112	52.7 Å²	52.7	42%	0.423	26%	0.262	S	S	.	.	S	Bend	trans	-160.8	161.1	177.4	64.2	-179.9	174.2	162.2	-3	108.2	N133 K135 M244 A245	N133-R137 PolarHBondContact ND2-O 3.35Å; N133-R137 PolarHBondContact OD1-O 2.8Å; K135-R137 HydrophobicContact CB-CG 3.82Å; K135-R137 PolarHBondContact O-N 3.39Å; R137-M244 CarbonylContact C-O 3.48Å; R137-M244 WeakPolarHBondContact CA-O 3.35Å; R137-M244 WeakPolarHBondContact CB-O 3.34Å; R137-A245 WeakPolarHBondContact CD-O 3.44Å
138	F	97.4	Very high	96.5	Very high	10 Å²	10	51 Å²	51	4%	0.044	25%	0.247	C	C	.	.			trans	-97.6	160.8	176.5	-64.8	-44.8	0	0	0	112.4	L129 C130 N133 T142 V143 I146 M244 D321 W322	L129-F138 HydrophobicContact CB-CE1 4.29Å; L129-F138 HydrophobicContact CB-CZ 3.78Å; C130-F138 HydrophobicContact CB-CE1 4.26Å; C130-F138 HydrophobicContact CB-CE2 3.94Å; C130-F138 HydrophobicContact CB-CZ 3.67Å; C130-F138 VanDerWaalsContact N-CZ 3.34Å; N133-F138 HydrophobicContact CB-CE1 4.33Å; N133-F138 WeakPolarHBondContact ND2-CD1 3.39Å; F138-T142 HydrophobicContact CB-CG2 3.66Å; F138-T142 HydrophobicContact CD1-CG2 3.99Å; F138-T142 HydrophobicContact CD2-CG2 3.89Å; F138-T142 HydrophobicContact CG-CG2 3.59Å; F138-V143 HydrophobicContact CB-CG2 3.94Å; F138-I146 HydrophobicContact CD2-CD1 3.92Å; F138-I146 HydrophobicContact CE2-CD1 4.16Å; F138-M244 HydrophobicContact CD2-CB 3.91Å; F138-M244 HydrophobicContact CD2-CG 4.07Å; F138-M244 HydrophobicContact CD2-SD 3.9Å; F138-M244 HydrophobicContact CE2-CG 4.26Å; F138-M244 HydrophobicContact CE2-SD 3.69Å; F138-M244 PolarHBondContact N-O 3.31Å; F138-D321 WeakPolarHBondContact CA-OD2 3.32Å; F138-D321 HydrophobicContact CD1-CB 4.03Å; F138-W322 HydrophobicContact CD1-CZ3 4.42Å; F138-W322 AromaticContact CE1-CE3 3.94Å; F138-W322 HydrophobicContact CE1-CE3 3.94Å; F138-W322 AromaticContact CE1-CZ3 3.92Å; F138-W322 HydrophobicContact CE1-CZ3 3.92Å; F138-W322 HydrophobicContact CE2-CZ3 4.15Å; F138-W322 HydrophobicContact CZ-CE3 4.14Å; F138-W322 AromaticContact CZ-CZ3 3.76Å; F138-W322 HydrophobicContact CZ-CZ3 3.76Å
139	S	96.9	Very high	96.7	Very high	46 Å²	46	50.1 Å²	50.1	32%	0.322	24%	0.244	S	C	.	.			trans	-62.5	154.8	164.7	71	0	0	0	0	111.2	T141 T142 V143 D321	S139-T141 PolarHBondContact O-N 2.84Å; S139-T142 PolarHBondContact O-N 2.95Å; S139-T142 VanDerWaalsContact O-N 3.1Å; S139-T142 PolarHBondContact OG-N 2.96Å; S139-T142 PolarHBondContact OG-OG1 2.9Å; S139-V143 WeakPolarHBondContact O-CG2 3.33Å; S139-V143 PolarHBondContact O-N 3.27Å; S139-D321 VanDerWaalsContact CB-OD1 3.25Å; S139-D321 WeakPolarHBondContact CB-OD1 3.44Å; S139-D321 PolarHBondContact N-OD1 3.17Å; S139-D321 PolarHBondContact N-OD2 2.72Å; S139-D321 PolarHBondContact OG-OD1 3.24Å
140	E	97.7	Very high	96.8	Very high	76 Å²	76	49.5 Å²	49.5	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-37	176.8	-63.9	179	124.8	0	0	111.9	V143 F144 P277 R312	E140-V143 PolarHBondContact O-N 3.42Å; E140-F144 HydrophobicContact CB-CZ 4.47Å; E140-F144 WeakPolarHBondContact O-CD1 3.37Å; E140-F144 VanDerWaalsContact O-CG 3.24Å; E140-F144 WeakPolarHBondContact O-CG 3.46Å; E140-F144 PolarHBondContact O-N 3.42Å; E140-P277 HydrophobicContact CG-CG 4.39Å; E140-P277 WeakPolarHBondContact OE1-CB 3.5Å; E140-R312 VanDerWaalsContact CD-NE 3.32Å; E140-R312 IonicContact OE1-CZ 2.61Å; E140-R312 IonicContact OE1-NE 2.72Å; E140-R312 IonicContact OE1-NH2 2.64Å; E140-R312 PolarHBondContact OE1-NH2 3.33Å; E140-R312 IonicContact OE2-CZ 3.55Å; E140-R312 IonicContact OE2-NE 3.59Å; E140-R312 PolarHBondContact OE2-NE 3.07Å; E140-R312 IonicContact OE2-NH2 3.27Å; E140-R312 PolarHBondContact OE2-NH2 3.25Å
141	T	97.5	Very high	96.9	Very high	30 Å²	30	49 Å²	49	18%	0.184	24%	0.237	C	C	.	.	H	α-helix	trans	-56.4	-51.9	173.5	-59.5	0	0	0	0	111.2	S139 V143 F144 L145 L309 A314	S139-T141 PolarHBondContact O-N 2.84Å; T141-V143 PolarHBondContact O-N 3.15Å; T141-F144 PolarHBondContact O-N 3.32Å; T141-L145 HydrophobicContact CG2-CD1 4.01Å; T141-L145 VanDerWaalsContact O-CG 3.3Å; T141-L145 WeakPolarHBondContact O-CG 3.3Å; T141-L145 PolarHBondContact O-N 2.72Å; T141-L309 HydrophobicContact CG2-CD2 4Å; T141-A314 HydrophobicContact CG2-CB 3.79Å
142	T	97.1	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-42.5	177.7	-69	0	0	0	0	111.6	F138 S139 F144 L145 I146 L320 D321 W322	F138-T142 HydrophobicContact CB-CG2 3.66Å; F138-T142 HydrophobicContact CD1-CG2 3.99Å; F138-T142 HydrophobicContact CD2-CG2 3.89Å; F138-T142 HydrophobicContact CG-CG2 3.59Å; S139-T142 PolarHBondContact O-N 2.95Å; S139-T142 VanDerWaalsContact O-N 3.1Å; S139-T142 PolarHBondContact OG-N 2.96Å; S139-T142 PolarHBondContact OG-OG1 2.9Å; T142-F144 VanDerWaalsContact C-N 3.3Å; T142-F144 PolarHBondContact O-N 2.95Å; T142-L145 PolarHBondContact O-N 3.47Å; T142-I146 HydrophobicContact CG2-CG2 4.37Å; T142-I146 WeakPolarHBondContact O-CG1 3.47Å; T142-I146 WeakPolarHBondContact O-CG2 3.46Å; T142-I146 PolarHBondContact O-N 3.22Å; T142-L320 HydrophobicContact CG2-CD2 4.02Å; T142-L320 WeakPolarHBondContact OG1-CA 3.41Å; T142-D321 WeakPolarHBondContact CB-OD1 3.34Å; T142-D321 HydrophobicContact CG2-CB 4.45Å; T142-D321 VanDerWaalsContact OG1-CG 3.32Å; T142-D321 PolarHBondContact OG1-N 3.2Å; T142-D321 PolarHBondContact OG1-OD1 2.88Å; T142-W322 HydrophobicContact CG2-CE3 4.32Å; T142-W322 HydrophobicContact CG2-CH2 4.1Å; T142-W322 HydrophobicContact CG2-CZ3 3.55Å
143	V	98.3	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-40.6	177.4	173.7	0	0	0	0	111.8	F138 S139 E140 T141 I146 G147 M241 M244 A245 M280	F138-V143 HydrophobicContact CB-CG2 3.94Å; S139-V143 WeakPolarHBondContact O-CG2 3.33Å; S139-V143 PolarHBondContact O-N 3.27Å; E140-V143 PolarHBondContact O-N 3.42Å; T141-V143 PolarHBondContact O-N 3.15Å; V143-I146 WeakPolarHBondContact O-CG1 3.27Å; V143-G147 PolarHBondContact O-N 3.31Å; V143-M241 HydrophobicContact CG1-CB 4.01Å; V143-M241 HydrophobicContact CG1-CE 4.32Å; V143-M241 HydrophobicContact CG1-CG 4.38Å; V143-M244 HydrophobicContact CG2-CB 4.02Å; V143-A245 HydrophobicContact CG1-CB 4.4Å; V143-A245 HydrophobicContact CG2-CB 4.09Å; V143-M280 HydrophobicContact CG1-CE 3.8Å
144	F	98.5	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-72.5	-42.4	179.6	-66	-3.6	0	0	0	111.9	E140 T141 T142 G147 I148 P277 E279 M280 L305 G308 L309	E140-F144 HydrophobicContact CB-CZ 4.47Å; E140-F144 WeakPolarHBondContact O-CD1 3.37Å; E140-F144 VanDerWaalsContact O-CG 3.24Å; E140-F144 WeakPolarHBondContact O-CG 3.46Å; E140-F144 PolarHBondContact O-N 3.42Å; T141-F144 PolarHBondContact O-N 3.32Å; T142-F144 VanDerWaalsContact C-N 3.3Å; T142-F144 PolarHBondContact O-N 2.95Å; F144-G147 PolarHBondContact O-N 3.35Å; F144-I148 WeakPolarHBondContact O-CG1 3.15Å; F144-I148 PolarHBondContact O-N 3.46Å; F144-P277 HydrophobicContact CE1-CB 3.87Å; F144-P277 HydrophobicContact CE1-CG 3.58Å; F144-P277 HydrophobicContact CZ-CB 3.63Å; F144-P277 HydrophobicContact CZ-CG 3.87Å; F144-E279 HydrophobicContact CE1-CB 4.3Å; F144-E279 HydrophobicContact CE2-CG 4.23Å; F144-E279 HydrophobicContact CZ-CB 4.11Å; F144-E279 VanDerWaalsContact CZ-CD 3.5Å; F144-E279 HydrophobicContact CZ-CG 3.87Å; F144-M280 HydrophobicContact CD1-CE 3.97Å; F144-M280 HydrophobicContact CE1-CE 3.58Å; F144-L305 HydrophobicContact CB-CB 4.31Å; F144-L305 HydrophobicContact CB-CD2 4.44Å; F144-L305 HydrophobicContact CD1-CD2 3.79Å; F144-L305 HydrophobicContact CE1-CD2 4.32Å; F144-L305 HydrophobicContact CG-CD2 4.14Å; F144-G308 VanDerWaalsContact CE2-C 3.46Å; F144-L309 HydrophobicContact CB-CD1 4.4Å; F144-L309 HydrophobicContact CB-CD2 3.79Å; F144-L309 HydrophobicContact CB-CG 3.84Å; F144-L309 HydrophobicContact CD2-CD2 4.12Å; F144-L309 HydrophobicContact CD2-CG 4.02Å; F144-L309 HydrophobicContact CG-CD2 4.48Å; F144-L309 HydrophobicContact CG-CG 4.48Å
145	L	97.8	Very high	97.7	Very high	15 Å²	15	31.7 Å²	31.7	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-49.5	177.4	-68.6	172.9	0	0	0	111.7	T141 T142 G147 I148 D149 L309 L320	T141-L145 HydrophobicContact CG2-CD1 4.01Å; T141-L145 VanDerWaalsContact O-CG 3.3Å; T141-L145 WeakPolarHBondContact O-CG 3.3Å; T141-L145 PolarHBondContact O-N 2.72Å; T142-L145 PolarHBondContact O-N 3.47Å; L145-G147 VanDerWaalsContact C-N 3.25Å; L145-G147 PolarHBondContact O-N 3.03Å; L145-I148 PolarHBondContact O-N 3.23Å; L145-D149 PolarHBondContact O-N 3.38Å; L145-D149 VanDerWaalsContact O-N 3.16Å; L145-L309 HydrophobicContact CD2-CD1 3.73Å; L145-L309 HydrophobicContact CD2-CD2 4.33Å; L145-L309 HydrophobicContact CG-CD1 4.38Å; L145-L309 HydrophobicContact CG-CD2 4.2Å; L145-L320 HydrophobicContact CB-CD2 3.8Å; L145-L320 HydrophobicContact CD1-CD2 3.73Å; L145-L320 HydrophobicContact CD1-CG 4.31Å; L145-L320 HydrophobicContact CG-CD2 4.42Å
146	I	97.7	Very high	97.9	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-30.4	175.6	70.1	-175.7	0	0	0	111.8	L126 F138 T142 V143 D149 M150 M244 L320 W322	L126-I146 HydrophobicContact CD1-CD1 4.31Å; L126-I146 HydrophobicContact CD2-CD1 4.46Å; L126-I146 HydrophobicContact CD2-CG2 4.09Å; F138-I146 HydrophobicContact CD2-CD1 3.92Å; F138-I146 HydrophobicContact CE2-CD1 4.16Å; T142-I146 HydrophobicContact CG2-CG2 4.37Å; T142-I146 WeakPolarHBondContact O-CG1 3.47Å; T142-I146 WeakPolarHBondContact O-CG2 3.46Å; T142-I146 PolarHBondContact O-N 3.22Å; V143-I146 WeakPolarHBondContact O-CG1 3.27Å; I146-D149 PolarHBondContact O-N 3.12Å; I146-M150 HydrophobicContact CG1-CE 4.22Å; I146-M150 WeakPolarHBondContact O-CB 3.1Å; I146-M150 WeakPolarHBondContact O-CG 3.11Å; I146-M150 PolarHBondContact O-N 3.22Å; I146-M244 HydrophobicContact CD1-CG 4.35Å; I146-L320 HydrophobicContact CG2-CD2 4.39Å; I146-W322 HydrophobicContact CG2-CH2 3.73Å; I146-W322 HydrophobicContact CG2-CZ3 4.49Å
147	G	98.5	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-45.8	175.2	0	0	0	0	0	112	V143 F144 L145 M150 I151	V143-G147 PolarHBondContact O-N 3.31Å; F144-G147 PolarHBondContact O-N 3.35Å; L145-G147 VanDerWaalsContact C-N 3.25Å; L145-G147 PolarHBondContact O-N 3.03Å; G147-M150 PolarHBondContact O-N 2.91Å; G147-I151 WeakPolarHBondContact O-CD1 3.49Å; G147-I151 VanDerWaalsContact O-CG1 3.24Å; G147-I151 WeakPolarHBondContact O-CG1 3.39Å; G147-I151 PolarHBondContact O-N 3.44Å
148	I	98.5	Very high	98.1	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-53.3	174.8	-69.5	166	0	0	0	109.9	F144 L145 M150 I151 E152 I302 L305 E306 L309	F144-I148 WeakPolarHBondContact O-CG1 3.15Å; F144-I148 PolarHBondContact O-N 3.46Å; L145-I148 PolarHBondContact O-N 3.23Å; I148-M150 VanDerWaalsContact C-N 3.3Å; I148-M150 PolarHBondContact O-N 3.46Å; I148-I151 PolarHBondContact O-N 3.4Å; I148-E152 HydrophobicContact CG2-CG 4.39Å; I148-E152 WeakPolarHBondContact O-CG 3.4Å; I148-E152 PolarHBondContact O-N 2.81Å; I148-I302 HydrophobicContact CG1-CG2 4.44Å; I148-I302 HydrophobicContact CG2-CG2 4.34Å; I148-L305 HydrophobicContact CD1-CB 4.05Å; I148-L305 HydrophobicContact CG1-CB 3.77Å; I148-L305 HydrophobicContact CG1-CD1 3.83Å; I148-L305 HydrophobicContact CG1-CG 4.47Å; I148-E306 HydrophobicContact CD1-CG 3.84Å; I148-L309 HydrophobicContact CD1-CD1 3.83Å
149	D	97.8	Very high	98	Very high	32 Å²	32	20.5 Å²	20.5	17%	0.171	11%	0.107	C	C	.	.	H	α-helix	trans	-58.6	-40.1	179.3	-77.8	7	0	0	0	112.4	H101 L145 I146 E152 A153 L184	H101-D149 IonicContact CE1-OD1 2.85Å; L145-D149 PolarHBondContact O-N 3.38Å; L145-D149 VanDerWaalsContact O-N 3.16Å; I146-D149 PolarHBondContact O-N 3.12Å; D149-E152 PolarHBondContact O-N 2.97Å; D149-A153 VanDerWaalsContact O-CB 3.23Å; D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.61Å; D149-L184 HydrophobicContact CB-CB 3.74Å; D149-L184 HydrophobicContact CB-CD2 3.93Å; D149-L184 HydrophobicContact CB-CG 4.5Å; D149-L184 VanDerWaalsContact OD2-CB 3.29Å; D149-L184 WeakPolarHBondContact OD2-CB 3.11Å; D149-L184 PolarHBondContact OD2-N 2.96Å
150	M	98.7	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.4	-39.2	176.5	-75.7	-170.5	-67.2	0	0	111.9	L126 I146 G147 I148 T154 F172 L184 V237 I240 M241	L126-M150 HydrophobicContact CD1-SD 4.35Å; I146-M150 HydrophobicContact CG1-CE 4.22Å; I146-M150 WeakPolarHBondContact O-CB 3.1Å; I146-M150 WeakPolarHBondContact O-CG 3.11Å; I146-M150 PolarHBondContact O-N 3.22Å; G147-M150 PolarHBondContact O-N 2.91Å; I148-M150 VanDerWaalsContact C-N 3.3Å; I148-M150 PolarHBondContact O-N 3.46Å; M150-T154 VanDerWaalsContact O-CB 3.27Å; M150-T154 WeakPolarHBondContact O-CB 3.3Å; M150-T154 PolarHBondContact O-N 2.94Å; M150-T154 PolarHBondContact O-OG1 2.99Å; M150-T154 VanDerWaalsContact O-OG1 3.05Å; M150-F172 HydrophobicContact CB-CE1 4.33Å; M150-F172 HydrophobicContact CB-CZ 4.14Å; M150-F172 HydrophobicContact CG-CD1 4.13Å; M150-F172 HydrophobicContact CG-CD2 4.28Å; M150-F172 HydrophobicContact CG-CE1 3.7Å; M150-F172 HydrophobicContact CG-CE2 3.88Å; M150-F172 HydrophobicContact CG-CG 4.4Å; M150-F172 HydrophobicContact CG-CZ 3.57Å; M150-F172 HydrophobicContact SD-CD2 4.06Å; M150-F172 HydrophobicContact SD-CE2 3.7Å; M150-F172 HydrophobicContact SD-CZ 4Å; M150-L184 HydrophobicContact CG-CD2 3.73Å; M150-V237 HydrophobicContact CB-CG1 4.11Å; M150-V237 HydrophobicContact CB-CG2 4.25Å; M150-V237 HydrophobicContact CE-CG1 4.13Å; M150-I240 HydrophobicContact CE-CB 4.37Å; M150-I240 HydrophobicContact CE-CG2 3.86Å; M150-I240 HydrophobicContact SD-CB 4.38Å; M150-I240 HydrophobicContact SD-CD1 3.99Å; M150-I240 HydrophobicContact SD-CG2 3.91Å; M150-M241 HydrophobicContact CE-CG 3.79Å
151	I	98.7	Very high	98	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-66.5	-46.3	177	-66.5	158.9	0	0	0	110.2	G147 I148 T154 Q155 F234 V237 M301 I302 L305	G147-I151 WeakPolarHBondContact O-CD1 3.49Å; G147-I151 VanDerWaalsContact O-CG1 3.24Å; G147-I151 WeakPolarHBondContact O-CG1 3.39Å; G147-I151 PolarHBondContact O-N 3.44Å; I148-I151 PolarHBondContact O-N 3.4Å; I151-T154 PolarHBondContact O-N 3.04Å; I151-Q155 WeakPolarHBondContact O-CB 3.45Å; I151-Q155 PolarHBondContact O-N 3.15Å; I151-F234 HydrophobicContact CB-CE1 4.26Å; I151-F234 HydrophobicContact CG1-CE1 3.99Å; I151-F234 HydrophobicContact CG2-CE1 4.02Å; I151-F234 HydrophobicContact CG2-CZ 4.42Å; I151-V237 HydrophobicContact CG1-CG1 4.37Å; I151-M301 HydrophobicContact CD1-CB 3.81Å; I151-M301 HydrophobicContact CG2-CE 4.49Å; I151-I302 HydrophobicContact CB-CG1 4.16Å; I151-I302 HydrophobicContact CD1-CG1 4.38Å; I151-I302 HydrophobicContact CG2-CD1 3.99Å; I151-I302 HydrophobicContact CG2-CG1 3.76Å; I151-L305 HydrophobicContact CD1-CD1 3.7Å
152	E	98.3	Very high	98	Very high	34 Å²	34	16.6 Å²	16.6	16%	0.159	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-44.6	179	-70.7	173.8	164	0	0	111.2	H101 I148 D149 Q155 S156 I302 R316	H101-E152 IonicContact CE1-OE2 3.77Å; H101-E152 VanDerWaalsContact NE2-CB 3.35Å; H101-E152 WeakPolarHBondContact NE2-CB 3.45Å; H101-E152 IonicContact NE2-OE2 3.36Å; H101-E152 PolarHBondContact NE2-OE2 3.23Å; I148-E152 HydrophobicContact CG2-CG 4.39Å; I148-E152 WeakPolarHBondContact O-CG 3.4Å; I148-E152 PolarHBondContact O-N 2.81Å; D149-E152 PolarHBondContact O-N 2.97Å; E152-Q155 PolarHBondContact O-N 3.35Å; E152-S156 WeakPolarHBondContact O-CB 3.24Å; E152-S156 PolarHBondContact O-N 2.91Å; E152-I302 HydrophobicContact CG-CD1 3.68Å; E152-R316 IonicContact OE1-CZ 2.76Å; E152-R316 IonicContact OE1-NH1 2.76Å; E152-R316 PolarHBondContact OE1-NH1 3.05Å; E152-R316 IonicContact OE1-NH2 2.83Å; E152-R316 PolarHBondContact OE1-NH2 3.04Å; E152-R316 IonicContact OE2-NH1 3.48Å
153	A	98.3	Very high	98.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-60.5	-49	175.1	0	0	0	0	0	112.5	H101 D149 S156 L157 F172 I186	H101-A153 HydrophobicContact CB-CB 3.5Å; H101-A153 VanDerWaalsContact CB-CB 3.5Å; D149-A153 VanDerWaalsContact O-CB 3.23Å; D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.61Å; A153-S156 PolarHBondContact O-N 3.4Å; A153-L157 PolarHBondContact O-N 3.34Å; A153-F172 HydrophobicContact CB-CE1 4.48Å; A153-I186 HydrophobicContact CB-CB 4.19Å; A153-I186 HydrophobicContact CB-CG2 3.99Å
154	T	98.7	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.6	-37.5	180	-67.9	0	0	0	0	111.5	M150 I151 L157 H158 I167 D233 F234	M150-T154 VanDerWaalsContact O-CB 3.27Å; M150-T154 WeakPolarHBondContact O-CB 3.3Å; M150-T154 PolarHBondContact O-N 2.94Å; M150-T154 PolarHBondContact O-OG1 2.99Å; M150-T154 VanDerWaalsContact O-OG1 3.05Å; I151-T154 PolarHBondContact O-N 3.04Å; T154-L157 PolarHBondContact O-N 3.16Å; T154-H158 WeakPolarHBondContact CG2-CE1 3.42Å; T154-H158 WeakPolarHBondContact O-CB 3.22Å; T154-H158 PolarHBondContact O-N 2.92Å; T154-H158 PolarHBondContact O-ND1 3.33Å; T154-I167 HydrophobicContact CG2-CD1 4.06Å; T154-I167 VanDerWaalsContact OG1-CD1 3.24Å; T154-I167 WeakPolarHBondContact OG1-CD1 3.47Å; T154-D233 HydrophobicContact CG2-CB 3.99Å; T154-F234 HydrophobicContact CG2-CE1 4.12Å; T154-F234 HydrophobicContact CG2-CE2 4.04Å; T154-F234 HydrophobicContact CG2-CZ 3.69Å
155	Q	98.4	Very high	98	Very high	39 Å²	39	18.6 Å²	18.6	18%	0.182	9%	0.092	C	C	.	.	H	α-helix	trans	-59.5	-49.3	172.6	-177.4	179.8	15.4	0	0	111.2	I151 E152 L157 H158 Q159 Y298	I151-Q155 WeakPolarHBondContact O-CB 3.45Å; I151-Q155 PolarHBondContact O-N 3.15Å; E152-Q155 PolarHBondContact O-N 3.35Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.32Å; Q155-H158 PolarHBondContact O-N 3.4Å; Q155-H158 VanDerWaalsContact O-N 3.17Å; Q155-Q159 HydrophobicContact CG-CG 4.36Å; Q155-Q159 WeakPolarHBondContact O-CB 3.5Å; Q155-Q159 WeakPolarHBondContact O-CG 3.47Å; Q155-Q159 PolarHBondContact O-N 3.21Å; Q155-Y298 HydrophobicContact CB-CD1 3.44Å; Q155-Y298 VanDerWaalsContact CB-CD1 3.44Å; Q155-Y298 HydrophobicContact CB-CE1 3.78Å; Q155-Y298 HydrophobicContact CB-CG 3.99Å; Q155-Y298 HydrophobicContact CG-CD1 3.57Å; Q155-Y298 HydrophobicContact CG-CD2 4Å; Q155-Y298 HydrophobicContact CG-CE1 3.91Å; Q155-Y298 HydrophobicContact CG-CE2 4.35Å; Q155-Y298 HydrophobicContact CG-CG 3.61Å
156	S	98	Very high	98	Very high	19 Å²	19	18.4 Å²	18.4	13%	0.133	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-41	179.1	-178.2	0	0	0	0	111.6	M96 E152 A153 Q159 N160	M96-S156 WeakPolarHBondContact CE-OG 3.08Å; E152-S156 WeakPolarHBondContact O-CB 3.24Å; E152-S156 PolarHBondContact O-N 2.91Å; A153-S156 PolarHBondContact O-N 3.4Å; S156-Q159 PolarHBondContact O-N 2.97Å; S156-N160 PolarHBondContact O-N 3.37Å; S156-N160 PolarHBondContact O-ND2 3.29Å
157	L	98.2	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-47.2	174.1	-170.8	69.2	0	0	0	112.2	V92 M96 F102 A153 T154 Q155 Q159 N160 G161 F162 H164 F189	V92-L157 HydrophobicContact CG1-CD1 3.7Å; M96-L157 HydrophobicContact CG-CD1 4.39Å; F102-L157 HydrophobicContact CE1-CD1 4.33Å; F102-L157 HydrophobicContact CZ-CB 4.23Å; A153-L157 PolarHBondContact O-N 3.34Å; T154-L157 PolarHBondContact O-N 3.16Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.32Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.41Å; L157-N160 CarbonylContact O-C 3.47Å; L157-N160 WeakPolarHBondContact O-CA 3.46Å; L157-N160 PolarHBondContact O-N 3.11Å; L157-G161 PolarHBondContact O-N 2.97Å; L157-F162 CarbonylContact C-O 3.55Å; L157-F162 HydrophobicContact CD1-CB 3.91Å; L157-F162 HydrophobicContact CG-CB 3.96Å; L157-F162 PolarHBondContact O-N 2.91Å; L157-H164 HydrophobicContact CD2-CB 3.63Å; L157-F189 HydrophobicContact CD1-CD1 4.33Å; L157-F189 HydrophobicContact CD1-CE1 4.4Å
158	H	98.2	Very high	98	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-39.5	177.7	-70.2	154	0	0	0	112.9	T154 Q155 N160 G161 F162 L163 Y195 D233 F234 Y298	T154-H158 WeakPolarHBondContact CG2-CE1 3.42Å; T154-H158 WeakPolarHBondContact O-CB 3.22Å; T154-H158 PolarHBondContact O-N 2.92Å; T154-H158 PolarHBondContact O-ND1 3.33Å; Q155-H158 PolarHBondContact O-N 3.4Å; Q155-H158 VanDerWaalsContact O-N 3.17Å; H158-N160 PolarHBondContact O-N 2.92Å; H158-G161 PolarHBondContact O-N 3.35Å; H158-F162 WeakPolarHBondContact CA-O 3.14Å; H158-F162 PolarHBondContact CD2-O 3.49Å; H158-F162 VanDerWaalsContact CD2-O 3.24Å; H158-F162 PolarHBondContact N-O 3.43Å; H158-L163 WeakPolarHBondContact NE2-CD2 3.3Å; H158-Y195 VanDerWaalsContact O-CE1 3.27Å; H158-Y195 WeakPolarHBondContact O-CE1 2.96Å; H158-Y195 PolarHBondContact O-OH 3.01Å; H158-D233 IonicContact NE2-OD2 3.43Å; H158-D233 PolarHBondContact NE2-OD2 2.88Å; H158-F234 AromaticContact CE1-CE2 3.75Å; H158-F234 AromaticContact ND1-CE2 3.84Å; H158-Y298 WeakPolarHBondContact CB-OH 3.47Å; H158-Y298 AromaticContact ND1-CE1 3.61Å; H158-Y298 AromaticContact ND1-CZ 3.85Å; H158-Y298 PolarHBondContact ND1-OH 2.72Å
159	Q	96.6	Very high	97.9	Very high	132 Å²	132	20.1 Å²	20.1	62%	0.617	10%	0.099	S	C	*	.	H	α-helix	trans	-65.1	-19.2	175.2	-74.6	172.8	-13.2	0	0	112.7	Q155 S156 L157	Q155-Q159 HydrophobicContact CG-CG 4.36Å; Q155-Q159 WeakPolarHBondContact O-CB 3.5Å; Q155-Q159 WeakPolarHBondContact O-CG 3.47Å; Q155-Q159 PolarHBondContact O-N 3.21Å; S156-Q159 PolarHBondContact O-N 2.97Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.41Å
160	N	96.7	Very high	97.8	Very high	28 Å²	28	20.8 Å²	20.8	15%	0.15	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	10.1	174.9	-75.6	-88.6	0	0	0	113.5	K95 M96 K99 S156 L157 H158 F162	K95-N160 PolarHBondContact NZ-O 3.06Å; M96-N160 HydrophobicContact CE-CB 4.32Å; M96-N160 HydrophobicContact SD-CB 3.62Å; M96-N160 VanDerWaalsContact SD-CG 3.57Å; K99-N160 PolarHBondContact NZ-ND2 3.15Å; K99-N160 PolarHBondContact NZ-OD1 3.32Å; S156-N160 PolarHBondContact O-N 3.37Å; S156-N160 PolarHBondContact O-ND2 3.29Å; L157-N160 CarbonylContact O-C 3.47Å; L157-N160 WeakPolarHBondContact O-CA 3.46Å; L157-N160 PolarHBondContact O-N 3.11Å; H158-N160 PolarHBondContact O-N 2.92Å; N160-F162 HydrophobicContact CB-CD2 4.49Å; N160-F162 WeakPolarHBondContact O-CD2 3.42Å; N160-F162 WeakPolarHBondContact O-CE2 3.33Å
161	G	97.3	Very high	97.8	Very high	9 Å²	9	21 Å²	21	9%	0.093	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	6.5	171.9	0	0	0	0	0	114.9	L157 H158 A194 Y195	L157-G161 PolarHBondContact O-N 2.97Å; H158-G161 PolarHBondContact O-N 3.35Å; G161-A194 CarbonylContact O-C 3.55Å; G161-A194 WeakPolarHBondContact O-CA 3.42Å; G161-Y195 VanDerWaalsContact C-CD1 3.43Å; G161-Y195 VanDerWaalsContact C-CE1 3.42Å; G161-Y195 WeakPolarHBondContact O-CD1 3.45Å; G161-Y195 PolarHBondContact O-N 3.05Å
162	F	98.1	Very high	97.7	Very high	33 Å²	33	21 Å²	21	15%	0.145	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.5	-174	-64.9	-80.6	0	0	0	112.9	M88 V92 K95 L157 H158 N160 C192 R193 A194	M88-F162 HydrophobicContact SD-CD1 4.5Å; M88-F162 HydrophobicContact SD-CE1 4.13Å; V92-F162 HydrophobicContact CG2-CD1 3.93Å; V92-F162 HydrophobicContact CG2-CD2 4.29Å; V92-F162 HydrophobicContact CG2-CE1 3.91Å; V92-F162 HydrophobicContact CG2-CE2 4.27Å; V92-F162 HydrophobicContact CG2-CG 4.13Å; V92-F162 HydrophobicContact CG2-CZ 4.09Å; K95-F162 HydrophobicContact CD-CE2 3.82Å; L157-F162 CarbonylContact C-O 3.55Å; L157-F162 HydrophobicContact CD1-CB 3.91Å; L157-F162 HydrophobicContact CG-CB 3.96Å; L157-F162 PolarHBondContact O-N 2.91Å; H158-F162 WeakPolarHBondContact CA-O 3.14Å; H158-F162 PolarHBondContact CD2-O 3.49Å; H158-F162 VanDerWaalsContact CD2-O 3.24Å; H158-F162 PolarHBondContact N-O 3.43Å; N160-F162 HydrophobicContact CB-CD2 4.49Å; N160-F162 WeakPolarHBondContact O-CD2 3.42Å; N160-F162 WeakPolarHBondContact O-CE2 3.33Å; F162-C192 HydrophobicContact CD1-CB 4.36Å; F162-R193 WeakPolarHBondContact CA-O 3.31Å; F162-A194 HydrophobicContact CD1-CB 4.41Å; F162-A194 HydrophobicContact CE1-CB 4.2Å
163	L	98.2	Very high	97.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144.5	160.8	-54.9	173.5	0	0	0	108.9	H158 R165 C192 R193 Y195 C228 R230	H158-L163 WeakPolarHBondContact NE2-CD2 3.3Å; L163-R165 HydrophobicContact CB-CG 3.77Å; L163-C192 CarbonylContact O-C 3.58Å; L163-C192 WeakPolarHBondContact O-CA 3.46Å; L163-C192 WeakPolarHBondContact O-CB 2.96Å; L163-C192 PolarHBondContact O-SG 2.73Å; L163-C192 VanDerWaalsContact O-SG 3.42Å; L163-R193 PolarHBondContact N-O 3.06Å; L163-R193 PolarHBondContact O-N 3.31Å; L163-R193 VanDerWaalsContact O-N 3.09Å; L163-Y195 HydrophobicContact CD2-CD1 3.89Å; L163-Y195 HydrophobicContact CD2-CG 4.11Å; L163-Y195 HydrophobicContact CG-CD1 3.97Å; L163-Y195 HydrophobicContact CG-CG 4.13Å; L163-C228 HydrophobicContact CD1-CB 4.44Å; L163-C228 WeakPolarHBondContact CD1-O 3.38Å; L163-R230 HydrophobicContact CD2-CB 4.24Å; L163-R230 HydrophobicContact CD2-CG 3.65Å
164	H	98.1	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.			trans	-78.7	-45.6	175.9	-168.5	-59	0	0	0	112.2	L157 N166 I167 I186 R187 N188 T191 D233	L157-H164 HydrophobicContact CD2-CB 3.63Å; H164-N166 PolarHBondContact CE1-O 2.88Å; H164-N166 PolarHBondContact ND1-N 3.11Å; H164-N166 PolarHBondContact O-N 3.24Å; H164-N166 VanDerWaalsContact O-N 3.17Å; H164-I167 HydrophobicContact CB-CD1 4.27Å; H164-I167 HydrophobicContact CB-CG1 3.83Å; H164-I186 WeakPolarHBondContact CD2-CD1 3.27Å; H164-R187 PolarHBondContact NE2-O 3.49Å; H164-R187 VanDerWaalsContact NE2-O 3.08Å; H164-N188 PolarHBondContact CE1-O 2.74Å; H164-N188 VanDerWaalsContact CE1-O 3.32Å; H164-T191 CarbonylContact O-C 3.55Å; H164-T191 PolarHBondContact O-OG1 2.86Å; H164-D233 PolarHBondContact N-OD2 3.46Å
165	R	97.4	Very high	96.8	Very high	40 Å²	40	19.7 Å²	19.7	15%	0.151	10%	0.101	C	C	.	.	S	Bend	trans	63.3	12.3	178.7	-46.6	-167.5	-67.5	157.8	-0.1	116.2	L163 T191 C192 C228 D233	L163-R165 HydrophobicContact CB-CG 3.77Å; R165-T191 PolarHBondContact NE-O 2.75Å; R165-T191 PolarHBondContact NH2-O 3.17Å; R165-C192 PolarHBondContact NH2-O 2.78Å; R165-C228 HydrophobicContact CG-CB 4.25Å; R165-D233 PolarHBondContact N-OD1 2.64Å
166	N	96.9	Very high	96	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.059	11%	0.113	C	C	.	.			trans	-156.7	41.2	179.5	-167	23.5	0	0	0	111	H164 K168 N171 T191 G213 D214	H164-N166 PolarHBondContact CE1-O 2.88Å; H164-N166 PolarHBondContact ND1-N 3.11Å; H164-N166 PolarHBondContact O-N 3.24Å; H164-N166 VanDerWaalsContact O-N 3.17Å; N166-K168 PolarHBondContact O-N 3.17Å; N166-N171 PolarHBondContact O-ND2 2.79Å; N166-T191 HydrophobicContact CB-CG2 4.08Å; N166-T191 WeakPolarHBondContact CB-OG1 3.18Å; N166-G213 WeakPolarHBondContact OD1-CA 3.4Å; N166-D214 PolarHBondContact OD1-N 3.25Å; N166-D214 VanDerWaalsContact OD1-N 3.11Å
167	I	98.4	Very high	94.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.128	C	C	.	.			trans	-68.1	120.5	176.5	-73.9	-176	0	0	0	108.6	T154 H164 F172 Y217 D233 V237 I240	T154-I167 HydrophobicContact CG2-CD1 4.06Å; T154-I167 VanDerWaalsContact OG1-CD1 3.24Å; T154-I167 WeakPolarHBondContact OG1-CD1 3.47Å; H164-I167 HydrophobicContact CB-CD1 4.27Å; H164-I167 HydrophobicContact CB-CG1 3.83Å; I167-F172 HydrophobicContact CG2-CE2 3.94Å; I167-F172 HydrophobicContact CG2-CZ 4.29Å; I167-Y217 WeakPolarHBondContact O-CB 3.44Å; I167-D233 HydrophobicContact CD1-CB 3.52Å; I167-D233 HydrophobicContact CG1-CB 4.49Å; I167-V237 HydrophobicContact CD1-CG2 4.2Å; I167-V237 HydrophobicContact CG2-CG2 3.95Å; I167-I240 HydrophobicContact CG2-CD1 3.67Å
168	K	97.8	Very high	93.4	Very high	37 Å²	37	30.9 Å²	30.9	16%	0.161	17%	0.166	C	C	.	.			trans	-160.5	160.7	-179.9	67.1	-168.3	-170.1	175	0	111.1	N166 S170 N171 F172 D214 Y217	N166-K168 PolarHBondContact O-N 3.17Å; K168-S170 WeakPolarHBondContact CE-OG 3.46Å; K168-S170 PolarHBondContact O-N 2.72Å; K168-S170 VanDerWaalsContact O-N 3.11Å; K168-N171 HydrophobicContact CG-CB 4.17Å; K168-N171 PolarHBondContact O-N 3.43Å; K168-F172 WeakPolarHBondContact O-CD2 3.45Å; K168-D214 HydrophobicContact CB-CB 4.47Å; K168-D214 HydrophobicContact CD-CB 3.56Å; K168-D214 WeakPolarHBondContact CD-OD2 3.33Å; K168-D214 IonicContact NZ-OD2 2.7Å; K168-D214 PolarHBondContact NZ-OD2 3.15Å; K168-Y217 HydrophobicContact CB-CD2 3.58Å; K168-Y217 HydrophobicContact CB-CE2 4.06Å; K168-Y217 HydrophobicContact CB-CG 4.19Å
169	P	97.9	Very high	91.9	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.019	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.4	-173	-26.9	37.6	0	0	0	114.7	L126 A127 N171 F172 Y217 I240 M244	L126-P169 HydrophobicContact CB-CB 4.01Å; L126-P169 PolarHBondContact N-O 3.01Å; A127-P169 HydrophobicContact CB-CB 3.94Å; A127-P169 PolarHBondContact N-O 3.39Å; P169-N171 VanDerWaalsContact C-N 3.26Å; P169-N171 PolarHBondContact O-N 3.08Å; P169-F172 PolarHBondContact O-N 3.05Å; P169-Y217 HydrophobicContact CG-CE1 4.02Å; P169-Y217 HydrophobicContact CG-CE2 4.33Å; P169-I240 HydrophobicContact CG-CD1 4.39Å; P169-I240 HydrophobicContact CG-CG1 3.99Å; P169-I240 HydrophobicContact CG-CG2 4.09Å; P169-M244 HydrophobicContact CB-CE 3.49Å; P169-M244 VanDerWaalsContact CB-CE 3.49Å; P169-M244 HydrophobicContact CG-CE 3.49Å; P169-M244 VanDerWaalsContact CG-CE 3.49Å
170	S	95.9	Very high	90.9	Very high	46 Å²	46	36.3 Å²	36.3	32%	0.322	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-76.8	-9.5	178.1	54	0	0	0	0	114.5	T125 K168	T125-S170 WeakPolarHBondContact CG2-O 3.31Å; K168-S170 WeakPolarHBondContact CE-OG 3.46Å; K168-S170 PolarHBondContact O-N 2.72Å; K168-S170 VanDerWaalsContact O-N 3.11Å
171	N	96.8	Very high	89.9	Confident	5 Å²	5	37 Å²	37	3%	0.027	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-97.5	4.3	173.5	-74.7	-14.4	0	0	0	112.7	N166 K168 P169 R187 N188	N166-N171 PolarHBondContact O-ND2 2.79Å; K168-N171 HydrophobicContact CG-CB 4.17Å; K168-N171 PolarHBondContact O-N 3.43Å; P169-N171 VanDerWaalsContact C-N 3.26Å; P169-N171 PolarHBondContact O-N 3.08Å; N171-R187 WeakPolarHBondContact O-CG 3.42Å; N171-R187 PolarHBondContact O-N 3.15Å; N171-N188 WeakPolarHBondContact OD1-CB 3.06Å; N171-N188 PolarHBondContact OD1-ND2 2.96Å
172	F	97.4	Very high	89.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.2	168	-67.6	-81.6	0	0	0	109.9	T125 L126 M150 A153 I167 K168 P169 L184 Y185 I186 I240	T125-F172 CarbonylContact C-O 3.57Å; T125-F172 WeakPolarHBondContact CA-O 3.41Å; T125-F172 WeakPolarHBondContact CB-O 3.5Å; L126-F172 HydrophobicContact CD1-CB 3.74Å; L126-F172 HydrophobicContact CD1-CD2 4.34Å; L126-F172 HydrophobicContact CD1-CG 4.2Å; L126-F172 HydrophobicContact CG-CB 3.88Å; L126-F172 PolarHBondContact N-O 3.35Å; M150-F172 HydrophobicContact CB-CE1 4.33Å; M150-F172 HydrophobicContact CB-CZ 4.14Å; M150-F172 HydrophobicContact CG-CD1 4.13Å; M150-F172 HydrophobicContact CG-CD2 4.28Å; M150-F172 HydrophobicContact CG-CE1 3.7Å; M150-F172 HydrophobicContact CG-CE2 3.88Å; M150-F172 HydrophobicContact CG-CG 4.4Å; M150-F172 HydrophobicContact CG-CZ 3.57Å; M150-F172 HydrophobicContact SD-CD2 4.06Å; M150-F172 HydrophobicContact SD-CE2 3.7Å; M150-F172 HydrophobicContact SD-CZ 4Å; A153-F172 HydrophobicContact CB-CE1 4.48Å; I167-F172 HydrophobicContact CG2-CE2 3.94Å; I167-F172 HydrophobicContact CG2-CZ 4.29Å; K168-F172 WeakPolarHBondContact O-CD2 3.45Å; P169-F172 PolarHBondContact O-N 3.05Å; F172-L184 HydrophobicContact CB-CD1 3.86Å; F172-L184 HydrophobicContact CB-CD2 4.1Å; F172-L184 HydrophobicContact CB-CG 3.97Å; F172-L184 HydrophobicContact CD1-CD2 3.65Å; F172-L184 HydrophobicContact CD1-CG 3.87Å; F172-L184 HydrophobicContact CE1-CD2 4.33Å; F172-L184 HydrophobicContact CG-CD2 4.02Å; F172-L184 HydrophobicContact CG-CG 4.28Å; F172-Y185 VanDerWaalsContact CA-O 3.32Å; F172-Y185 WeakPolarHBondContact CA-O 3.35Å; F172-I186 HydrophobicContact CD1-CB 4.01Å; F172-I186 HydrophobicContact CD1-CG1 4.27Å; F172-I186 HydrophobicContact CE1-CB 3.7Å; F172-I186 HydrophobicContact CE1-CD1 3.83Å; F172-I186 HydrophobicContact CE1-CG1 3.75Å; F172-I186 HydrophobicContact CZ-CD1 3.87Å; F172-I186 HydrophobicContact CZ-CG1 4.1Å; F172-I240 HydrophobicContact CE2-CD1 4.18Å
173	V	95.2	Very high	88.7	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.8	177.3	-69.6	0	0	0	0	110.4	T122 P124 T125 Y185	T122-V173 HydrophobicContact CG2-CG2 3.63Å; P124-V173 WeakPolarHBondContact O-CA 3.42Å; T125-V173 HydrophobicContact CG2-CG1 3.53Å; V173-Y185 PolarHBondContact N-O 3.41Å; V173-Y185 PolarHBondContact O-N 3.02Å
174	V	94.1	Very high	88.6	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	160	170.7	-59.7	0	0	0	0	110.4	G123 P124 L129 K183 L184 W322	G123-V174 PolarHBondContact N-O 2.73Å; P124-V174 HydrophobicContact CG-CG2 3.87Å; P124-V174 PolarHBondContact O-N 2.94Å; L129-V174 HydrophobicContact CD1-CG1 3.65Å; L129-V174 HydrophobicContact CD1-CG2 4.26Å; V174-K183 CarbonylContact C-O 3.43Å; V174-K183 WeakPolarHBondContact CA-O 3.43Å; V174-L184 HydrophobicContact CG1-CD1 4.23Å; V174-W322 HydrophobicContact CG1-CZ2 3.78Å
175	G	88.2	Confident	88.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	152.8	167.2	0	0	0	0	0	112.2	T180 V181 K183	G175-T180 WeakPolarHBondContact CA-O 3.22Å; G175-T180 WeakPolarHBondContact CA-OG1 3.38Å; G175-T180 PolarHBondContact N-O 2.78Å; G175-T180 VanDerWaalsContact N-O 3.15Å; G175-V181 WeakPolarHBondContact O-CA 3.37Å; G175-K183 PolarHBondContact N-O 2.78Å; G175-K183 VanDerWaalsContact N-O 3.07Å
176	S	81	Confident	88.5	Confident	62 Å²	62	43 Å²	43	43%	0.434	21%	0.21	S	C	.	.	S	Bend	trans	-94.7	-4	-179.4	63.5	0	0	0	0	114.7	P121	P121-S176 WeakPolarHBondContact CB-OG 3.24Å; P121-S176 PolarHBondContact O-OG 3.17Å; P121-S176 VanDerWaalsContact O-OG 3.12Å
177	R	72.5	Confident	88.4	Confident	116 Å²	116	43.6 Å²	43.6	44%	0.438	21%	0.211	S	C	.	.	S	Bend	trans	-106.2	152.7	-177.4	-61	-175.4	177.5	-168	2.6	110.1	R179 T180 V181	R177-R179 PolarHBondContact O-N 3.05Å; R177-T180 PolarHBondContact N-OG1 2.9Å; R177-T180 CarbonylContact O-C 3.57Å; R177-T180 PolarHBondContact O-N 3.43Å; R177-T180 PolarHBondContact O-OG1 3.32Å; R177-V181 PolarHBondContact O-N 3.29Å
178	S	69.1	Low	88	Confident	115 Å²	115	46.5 Å²	46.5	80%	0.804	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-33.5	178.1	56.7	0	0	0	0	113.9
179	R	66.9	Low	87.8	Confident	232 Å²	232	45 Å²	45	88%	0.875	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.1	177	-65.5	-175.2	-179.6	163	0.4	114.8	R177	R177-R179 PolarHBondContact O-N 3.05Å
180	T	74.6	Confident	87.6	Confident	16 Å²	16	45.1 Å²	45.1	10%	0.098	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-0.7	-174.8	61.5	0	0	0	0	113.3	G175 R177 R182 K183	G175-T180 WeakPolarHBondContact CA-O 3.22Å; G175-T180 WeakPolarHBondContact CA-OG1 3.38Å; G175-T180 PolarHBondContact N-O 2.78Å; G175-T180 VanDerWaalsContact N-O 3.15Å; R177-T180 PolarHBondContact N-OG1 2.9Å; R177-T180 CarbonylContact O-C 3.57Å; R177-T180 PolarHBondContact O-N 3.43Å; R177-T180 PolarHBondContact O-OG1 3.32Å; T180-R182 PolarHBondContact O-N 3.39Å; T180-R182 VanDerWaalsContact O-N 3.08Å; T180-K183 HydrophobicContact CG2-CD 4.23Å; T180-K183 WeakPolarHBondContact O-CB 3.11Å; T180-K183 PolarHBondContact O-N 2.82Å
181	V	76.9	Confident	87.5	Confident	43 Å²	43	43.2 Å²	43.2	26%	0.261	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.3	179.6	72.6	0	0	0	0	113.4	G175 R177	G175-V181 WeakPolarHBondContact O-CA 3.37Å; R177-V181 PolarHBondContact O-N 3.29Å
182	R	82	Confident	87.5	Confident	101 Å²	101	43.1 Å²	43.1	38%	0.381	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-6.8	174.1	-63.1	-175.5	175.2	-148.5	-8.9	114.1	T180 Q317 L320 E323	T180-R182 PolarHBondContact O-N 3.39Å; T180-R182 VanDerWaalsContact O-N 3.08Å; R182-Q317 PolarHBondContact NH1-O 3.43Å; R182-L320 HydrophobicContact CG-CD1 4.37Å; R182-E323 IonicContact CZ-OE1 2.82Å; R182-E323 IonicContact CZ-OE2 2.72Å; R182-E323 IonicContact NE-OE1 2.64Å; R182-E323 PolarHBondContact NE-OE1 3.5Å; R182-E323 IonicContact NE-OE2 3.87Å; R182-E323 PolarHBondContact NE-OE2 3.14Å; R182-E323 IonicContact NH2-OE1 3.49Å; R182-E323 PolarHBondContact NH2-OE1 3.09Å; R182-E323 IonicContact NH2-OE2 3.64Å; R182-E323 PolarHBondContact NH2-OE2 2.85Å
183	K	88.2	Confident	87.4	Confident	91 Å²	91	46.7 Å²	46.7	40%	0.396	22%	0.222	S	C	.	.			trans	-87.9	124.4	176.9	-65.2	-168.2	176.2	-165.1	0	109.1	V174 G175 T180 Y185	V174-K183 CarbonylContact C-O 3.43Å; V174-K183 WeakPolarHBondContact CA-O 3.43Å; G175-K183 PolarHBondContact N-O 2.78Å; G175-K183 VanDerWaalsContact N-O 3.07Å; T180-K183 HydrophobicContact CG2-CD 4.23Å; T180-K183 WeakPolarHBondContact O-CB 3.11Å; T180-K183 PolarHBondContact O-N 2.82Å; K183-Y185 HydrophobicContact CB-CE2 4.14Å
184	L	95.5	Very high	87.4	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.4	167.6	-161.6	67.9	0	0	0	110.3	H101 L126 D149 M150 F172 V174	H101-L184 WeakPolarHBondContact CA-O 3.15Å; H101-L184 VanDerWaalsContact CB-O 3.29Å; H101-L184 WeakPolarHBondContact CB-O 3.5Å; H101-L184 PolarHBondContact ND1-O 3Å; L126-L184 HydrophobicContact CD1-CD1 4.06Å; L126-L184 HydrophobicContact CD1-CD2 4Å; L126-L184 HydrophobicContact CD2-CD1 3.75Å; L126-L184 HydrophobicContact CG-CD1 3.82Å; D149-L184 HydrophobicContact CB-CB 3.74Å; D149-L184 HydrophobicContact CB-CD2 3.93Å; D149-L184 HydrophobicContact CB-CG 4.5Å; D149-L184 VanDerWaalsContact OD2-CB 3.29Å; D149-L184 WeakPolarHBondContact OD2-CB 3.11Å; D149-L184 PolarHBondContact OD2-N 2.96Å; M150-L184 HydrophobicContact CG-CD2 3.73Å; F172-L184 HydrophobicContact CB-CD1 3.86Å; F172-L184 HydrophobicContact CB-CD2 4.1Å; F172-L184 HydrophobicContact CB-CG 3.97Å; F172-L184 HydrophobicContact CD1-CD2 3.65Å; F172-L184 HydrophobicContact CD1-CG 3.87Å; F172-L184 HydrophobicContact CE1-CD2 4.33Å; F172-L184 HydrophobicContact CG-CD2 4.02Å; F172-L184 HydrophobicContact CG-CG 4.28Å; V174-L184 HydrophobicContact CG1-CD1 4.23Å
185	Y	95.6	Very high	87.6	Confident	10 Å²	10	49.4 Å²	49.4	4%	0.039	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.7	175.4	-59.1	-75.9	0	0	0	110.7	H101 A103 E120 T122 F172 V173 K183	H101-Y185 CarbonylContact O-C 3.51Å; H101-Y185 VanDerWaalsContact O-CA 3.23Å; H101-Y185 WeakPolarHBondContact O-CA 3.34Å; A103-Y185 HydrophobicContact CB-CD1 4.26Å; A103-Y185 HydrophobicContact CB-CG 4.34Å; E120-Y185 PolarHBondContact OE1-OH 3.06Å; T122-Y185 HydrophobicContact CG2-CD2 4.37Å; F172-Y185 VanDerWaalsContact CA-O 3.32Å; F172-Y185 WeakPolarHBondContact CA-O 3.35Å; V173-Y185 PolarHBondContact N-O 3.41Å; V173-Y185 PolarHBondContact O-N 3.02Å; K183-Y185 HydrophobicContact CB-CE2 4.14Å
186	I	97.6	Very high	88	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	145.3	169.5	-167.4	167.8	0	0	0	110	H101 F102 A153 H164 F172 F189	H101-I186 PolarHBondContact O-N 2.85Å; F102-I186 HydrophobicContact CD1-CG2 3.82Å; F102-I186 HydrophobicContact CE1-CG2 3.34Å; F102-I186 HydrophobicContact CE2-CG2 4.35Å; F102-I186 HydrophobicContact CZ-CG2 3.62Å; A153-I186 HydrophobicContact CB-CB 4.19Å; A153-I186 HydrophobicContact CB-CG2 3.99Å; H164-I186 WeakPolarHBondContact CD2-CD1 3.27Å; F172-I186 HydrophobicContact CD1-CB 4.01Å; F172-I186 HydrophobicContact CD1-CG1 4.27Å; F172-I186 HydrophobicContact CE1-CB 3.7Å; F172-I186 HydrophobicContact CE1-CD1 3.83Å; F172-I186 HydrophobicContact CE1-CG1 3.75Å; F172-I186 HydrophobicContact CZ-CD1 3.87Å; F172-I186 HydrophobicContact CZ-CG1 4.1Å; I186-F189 HydrophobicContact CG1-CE1 4.31Å; I186-F189 HydrophobicContact CG2-CE1 3.98Å; I186-F189 HydrophobicContact CG2-CZ 4.04Å; I186-F189 WeakPolarHBondContact O-CZ 3.5Å
187	R	93.8	Very high	88.8	Confident	23 Å²	23	49 Å²	49	9%	0.087	24%	0.239	C	C	.	.			trans	-149.7	174.8	-177.2	82.2	-162.6	-154.6	147.6	10.9	112.2	E59 H164 N171	E59-R187 VanDerWaalsContact CD-NH1 3.26Å; E59-R187 IonicContact OE1-NH1 2.76Å; E59-R187 PolarHBondContact OE1-NH1 3.15Å; E59-R187 IonicContact OE2-CZ 3.33Å; E59-R187 VanDerWaalsContact OE2-CZ 3.27Å; E59-R187 IonicContact OE2-NH1 3.56Å; E59-R187 PolarHBondContact OE2-NH1 3.01Å; E59-R187 IonicContact OE2-NH2 3.16Å; E59-R187 PolarHBondContact OE2-NH2 3.17Å; H164-R187 PolarHBondContact NE2-O 3.49Å; H164-R187 VanDerWaalsContact NE2-O 3.08Å; N171-R187 WeakPolarHBondContact O-CG 3.42Å; N171-R187 PolarHBondContact O-N 3.15Å
188	N	91	Very high	89.7	Confident	61 Å²	61	51.7 Å²	51.7	33%	0.326	26%	0.262	S	S	.	.			trans	69.9	63.5	174	-171.2	19.7	0	0	0	112.1	D89 H164 N171 G190	D89-N188 WeakPolarHBondContact OD1-CA 3.25Å; H164-N188 PolarHBondContact CE1-O 2.74Å; H164-N188 VanDerWaalsContact CE1-O 3.32Å; N171-N188 WeakPolarHBondContact OD1-CB 3.06Å; N171-N188 PolarHBondContact OD1-ND2 2.96Å; N188-G190 PolarHBondContact O-N 3.09Å
189	F	94.6	Very high	90.9	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.026	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-84.2	10.1	-176.6	-49.6	-70.1	0	0	0	113	M88 D89 V92 S93 F102 L157 I186 T191 C192	M88-F189 VanDerWaalsContact CG-O 3.3Å; M88-F189 WeakPolarHBondContact CG-O 3.27Å; D89-F189 PolarHBondContact OD1-N 3.27Å; V92-F189 HydrophobicContact CB-CB 3.74Å; V92-F189 HydrophobicContact CB-CD2 4.38Å; V92-F189 HydrophobicContact CB-CG 4.05Å; V92-F189 HydrophobicContact CG1-CB 3.77Å; V92-F189 HydrophobicContact CG1-CD1 3.85Å; V92-F189 HydrophobicContact CG1-CD2 4.08Å; V92-F189 HydrophobicContact CG1-CE1 4.49Å; V92-F189 HydrophobicContact CG1-CG 3.61Å; V92-F189 HydrophobicContact CG2-CB 4.39Å; S93-F189 WeakPolarHBondContact OG-CD2 3.48Å; S93-F189 WeakPolarHBondContact OG-CE2 3.24Å; F102-F189 HydrophobicContact CD1-CE1 4.19Å; F102-F189 HydrophobicContact CD1-CE2 4.35Å; F102-F189 AromaticContact CD1-CZ 3.56Å; F102-F189 HydrophobicContact CD1-CZ 3.56Å; F102-F189 AromaticContact CE1-CE1 3.77Å; F102-F189 HydrophobicContact CE1-CE1 3.77Å; F102-F189 AromaticContact CE1-CZ 3.63Å; F102-F189 HydrophobicContact CE1-CZ 3.63Å; L157-F189 HydrophobicContact CD1-CD1 4.33Å; L157-F189 HydrophobicContact CD1-CE1 4.4Å; I186-F189 HydrophobicContact CG1-CE1 4.31Å; I186-F189 HydrophobicContact CG2-CE1 3.98Å; I186-F189 HydrophobicContact CG2-CZ 4.04Å; I186-F189 WeakPolarHBondContact O-CZ 3.5Å; F189-T191 PolarHBondContact O-N 2.77Å; F189-T191 VanDerWaalsContact O-N 3.15Å; F189-C192 VanDerWaalsContact CA-SG 3.59Å; F189-C192 HydrophobicContact CB-CB 4.34Å; F189-C192 WeakPolarHBondContact CB-SG 3.23Å; F189-C192 WeakPolarHBondContact O-CB 3.44Å; F189-C192 PolarHBondContact O-N 2.87Å; F189-C192 PolarHBondContact O-SG 3.07Å; F189-C192 VanDerWaalsContact O-SG 3.42Å
190	G	92	Very high	92.2	Very high	6 Å²	6	43 Å²	43	6%	0.062	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63	-23.3	-179.3	0	0	0	0	0	114.1	W85 N188	W85-G190 WeakPolarHBondContact CA-O 3.39Å; W85-G190 WeakPolarHBondContact CB-O 3.48Å; W85-G190 WeakPolarHBondContact O-CA 3.39Å; N188-G190 PolarHBondContact O-N 3.09Å
191	T	93.4	Very high	93.3	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.031	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-88.9	1.2	172	57.9	0	0	0	0	113.3	H164 R165 N166 F189	H164-T191 CarbonylContact O-C 3.55Å; H164-T191 PolarHBondContact O-OG1 2.86Å; R165-T191 PolarHBondContact NE-O 2.75Å; R165-T191 PolarHBondContact NH2-O 3.17Å; N166-T191 HydrophobicContact CB-CG2 4.08Å; N166-T191 WeakPolarHBondContact CB-OG1 3.18Å; F189-T191 PolarHBondContact O-N 2.77Å; F189-T191 VanDerWaalsContact O-N 3.15Å
192	C	96.7	Very high	94.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.02	26%	0.256	C	S	.	.			trans	-61.9	157.6	-177.8	-75.8	0	0	0	0	112.4	M88 V92 F162 L163 R165 F189	M88-C192 HydrophobicContact CG-CB 3.84Å; M88-C192 HydrophobicContact SD-CB 4.22Å; V92-C192 HydrophobicContact CG2-CB 4.11Å; F162-C192 HydrophobicContact CD1-CB 4.36Å; L163-C192 CarbonylContact O-C 3.58Å; L163-C192 WeakPolarHBondContact O-CA 3.46Å; L163-C192 WeakPolarHBondContact O-CB 2.96Å; L163-C192 PolarHBondContact O-SG 2.73Å; L163-C192 VanDerWaalsContact O-SG 3.42Å; R165-C192 PolarHBondContact NH2-O 2.78Å; F189-C192 VanDerWaalsContact CA-SG 3.59Å; F189-C192 HydrophobicContact CB-CB 4.34Å; F189-C192 WeakPolarHBondContact CB-SG 3.23Å; F189-C192 WeakPolarHBondContact O-CB 3.44Å; F189-C192 PolarHBondContact O-N 2.87Å; F189-C192 PolarHBondContact O-SG 3.07Å; F189-C192 VanDerWaalsContact O-SG 3.42Å
193	R	95.6	Very high	95	Very high	76 Å²	76	46.3 Å²	46.3	29%	0.287	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	133.8	174.7	174.9	169.4	179.7	74.8	2.3	110	F162 L163 Y195 R206 E227	F162-R193 WeakPolarHBondContact CA-O 3.31Å; L163-R193 PolarHBondContact N-O 3.06Å; L163-R193 PolarHBondContact O-N 3.31Å; L163-R193 VanDerWaalsContact O-N 3.09Å; R193-Y195 PolarHBondContact O-N 3.31Å; R193-R206 VanDerWaalsContact CZ-CZ 3.49Å; R193-E227 IonicContact NE-OE1 2.93Å
194	A	96.7	Very high	95.4	Very high	42 Å²	42	46.8 Å²	46.8	35%	0.347	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	123.8	167.7	0	0	0	0	0	109.4	G161 F162	G161-A194 CarbonylContact O-C 3.55Å; G161-A194 WeakPolarHBondContact O-CA 3.42Å; F162-A194 HydrophobicContact CD1-CB 4.41Å; F162-A194 HydrophobicContact CE1-CB 4.2Å
195	Y	97.6	Very high	95.5	Very high	20 Å²	20	49.3 Å²	49.3	8%	0.078	28%	0.282	C	S	.	.			trans	-104.4	-13.7	178.9	75.6	-85.5	0	0	0	113.2	H158 G161 L163 R193 V202 H203 R230	H158-Y195 VanDerWaalsContact O-CE1 3.27Å; H158-Y195 WeakPolarHBondContact O-CE1 2.96Å; H158-Y195 PolarHBondContact O-OH 3.01Å; G161-Y195 VanDerWaalsContact C-CD1 3.43Å; G161-Y195 VanDerWaalsContact C-CE1 3.42Å; G161-Y195 WeakPolarHBondContact O-CD1 3.45Å; G161-Y195 PolarHBondContact O-N 3.05Å; L163-Y195 HydrophobicContact CD2-CD1 3.89Å; L163-Y195 HydrophobicContact CD2-CG 4.11Å; L163-Y195 HydrophobicContact CG-CD1 3.97Å; L163-Y195 HydrophobicContact CG-CG 4.13Å; R193-Y195 PolarHBondContact O-N 3.31Å; Y195-V202 HydrophobicContact CD2-CG1 4.38Å; Y195-V202 HydrophobicContact CD2-CG2 4.19Å; Y195-V202 HydrophobicContact CE2-CG2 4.16Å; Y195-V202 WeakPolarHBondContact O-CA 3.49Å; Y195-H203 PolarHBondContact O-N 3.32Å; Y195-R230 HydrophobicContact CE1-CG 4.43Å; Y195-R230 HydrophobicContact CE2-CG 4.19Å; Y195-R230 PolarHBondContact OH-NH1 3.18Å
196	C	97.4	Very high	95.5	Very high	17 Å²	17	53.2 Å²	53.2	12%	0.115	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-136.6	158	177.7	67.5	0	0	0	0	111.2	E201	C196-E201 CarbonylContact C-O 3.46Å; C196-E201 WeakPolarHBondContact CA-O 3.45Å; C196-E201 VanDerWaalsContact CB-O 3.24Å; C196-E201 WeakPolarHBondContact CB-O 3.42Å
197	A	96.1	Very high	95.4	Very high	37 Å²	37	60 Å²	60	31%	0.306	34%	0.338	S	S	.	.			trans	-71.5	171.1	166.6	0	0	0	0	0	111.1	N199 G200 E201 H203	A197-N199 VanDerWaalsContact CB-OD1 3.32Å; A197-N199 WeakPolarHBondContact CB-OD1 3.48Å; A197-N199 PolarHBondContact O-N 2.93Å; A197-N199 VanDerWaalsContact O-N 3.15Å; A197-G200 PolarHBondContact O-N 3.35Å; A197-E201 PolarHBondContact N-O 2.84Å; A197-H203 PolarHBondContact N-CE1 2.95Å
198	D	92.1	Very high	95.3	Very high	174 Å²	174	63.3 Å²	63.3	93%	0.93	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.5	-179.3	-67	-29.7	0	0	0	113.1	G200	D198-G200 VanDerWaalsContact C-N 3.26Å; D198-G200 PolarHBondContact O-N 3.41Å
199	N	94.4	Very high	95.5	Very high	118 Å²	118	60.9 Å²	60.9	63%	0.631	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1	174	69	-6	0	0	0	113.7	A197 E201	A197-N199 VanDerWaalsContact CB-OD1 3.32Å; A197-N199 WeakPolarHBondContact CB-OD1 3.48Å; A197-N199 PolarHBondContact O-N 2.93Å; A197-N199 VanDerWaalsContact O-N 3.15Å; N199-E201 VanDerWaalsContact OD1-CB 3.22Å; N199-E201 WeakPolarHBondContact OD1-CB 3.44Å; N199-E201 PolarHBondContact OD1-N 3.27Å
200	G	94.2	Very high	95.3	Very high	47 Å²	47	66.6 Å²	66.6	49%	0.485	38%	0.375	S	S	.	.			trans	86.3	-0.6	-178.3	0	0	0	0	0	115.4	A197 D198 V202	A197-G200 PolarHBondContact O-N 3.35Å; D198-G200 VanDerWaalsContact C-N 3.26Å; D198-G200 PolarHBondContact O-N 3.41Å; G200-V202 PolarHBondContact O-N 2.94Å
201	E	96.7	Very high	95.3	Very high	130 Å²	130	68 Å²	68	61%	0.607	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-68.3	120.6	177.5	-172.6	-178	169.6	0	0	110.8	C196 A197 N199 H203	C196-E201 CarbonylContact C-O 3.46Å; C196-E201 WeakPolarHBondContact CA-O 3.45Å; C196-E201 VanDerWaalsContact CB-O 3.24Å; C196-E201 WeakPolarHBondContact CB-O 3.42Å; A197-E201 PolarHBondContact N-O 2.84Å; N199-E201 VanDerWaalsContact OD1-CB 3.22Å; N199-E201 WeakPolarHBondContact OD1-CB 3.44Å; N199-E201 PolarHBondContact OD1-N 3.27Å; E201-H203 PolarHBondContact O-N 2.99Å
202	V	98	Very high	94.9	Very high	28 Å²	28	72.3 Å²	72.3	17%	0.17	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-68.6	127.5	179.5	179.3	0	0	0	0	109.6	Y195 G200 Y292 Y293	Y195-V202 HydrophobicContact CD2-CG1 4.38Å; Y195-V202 HydrophobicContact CD2-CG2 4.19Å; Y195-V202 HydrophobicContact CE2-CG2 4.16Å; Y195-V202 WeakPolarHBondContact O-CA 3.49Å; G200-V202 PolarHBondContact O-N 2.94Å; V202-Y292 HydrophobicContact CG1-CD1 4.38Å; V202-Y292 HydrophobicContact CG1-CE1 3.67Å; V202-Y293 HydrophobicContact CB-CD1 4.17Å; V202-Y293 HydrophobicContact CG1-CD1 3.88Å; V202-Y293 HydrophobicContact CG1-CE1 4.28Å
203	H	97.6	Very high	94.6	Very high	71 Å²	71	72.9 Å²	72.9	33%	0.329	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-61.9	145.4	177.9	-65.7	-42.9	0	0	0	111.4	Y195 A197 E201 Y292	Y195-H203 PolarHBondContact O-N 3.32Å; A197-H203 PolarHBondContact N-CE1 2.95Å; E201-H203 PolarHBondContact O-N 2.99Å; H203-Y292 VanDerWaalsContact O-CE1 3.23Å; H203-Y292 WeakPolarHBondContact O-CE1 3.37Å; H203-Y292 PolarHBondContact O-OH 3.44Å; H203-Y292 VanDerWaalsContact O-OH 3.07Å
204	P	97.3	Very high	94.6	Very high	101 Å²	101	71.2 Å²	71.2	66%	0.656	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-58.1	138.9	171.9	-24.6	34.2	0	0	0	111.7
205	P	97.1	Very high	94.6	Very high	57 Å²	57	70.9 Å²	70.9	37%	0.37	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-68.8	137.3	-179.4	28.3	-34.1	0	0	0	110.7	E227 Y292 Y293	P205-E227 HydrophobicContact CB-CB 3.63Å; P205-E227 HydrophobicContact CB-CG 4.05Å; P205-Y292 HydrophobicContact CB-CD1 3.99Å; P205-Y292 HydrophobicContact CB-CE1 3.85Å; P205-Y292 HydrophobicContact CB-CE2 4.46Å; P205-Y292 HydrophobicContact CB-CG 4.34Å; P205-Y292 HydrophobicContact CG-CD1 4.1Å; P205-Y292 HydrophobicContact CG-CE1 4.17Å; P205-Y293 WeakPolarHBondContact CD-OH 3.43Å
206	R	96.4	Very high	94.6	Very high	91 Å²	91	71.3 Å²	71.3	34%	0.343	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-70.3	149.8	169.6	-65.4	171.6	-66.6	167.6	4.7	110.3	R193 T208 T209 E227	R193-R206 VanDerWaalsContact CZ-CZ 3.49Å; R206-T208 VanDerWaalsContact C-N 3.29Å; R206-T208 PolarHBondContact O-N 3.16Å; R206-T209 HydrophobicContact CB-CG2 4.29Å; R206-E227 WeakPolarHBondContact CB-OE2 3.28Å; R206-E227 WeakPolarHBondContact CG-OE2 3.42Å; R206-E227 IonicContact CZ-OE1 3.27Å; R206-E227 IonicContact CZ-OE2 3.83Å; R206-E227 PolarHBondContact N-OE2 3.38Å; R206-E227 VanDerWaalsContact N-OE2 3.09Å; R206-E227 IonicContact NE-OE1 3.32Å; R206-E227 IonicContact NE-OE2 3.34Å; R206-E227 PolarHBondContact NE-OE2 2.94Å; R206-E227 IonicContact NH2-OE1 2.81Å; R206-E227 PolarHBondContact NH2-OE1 3.35Å; R206-E227 IonicContact NH2-OE2 3.53Å; R206-E227 PolarHBondContact NH2-OE2 2.99Å
207	T	93.9	Very high	94.7	Very high	147 Å²	147	72 Å²	72	90%	0.902	40%	0.399	S	S	*	.	S	Bend	trans	-63	-34.7	178.7	52.1	0	0	0	0	113
208	T	93.4	Very high	94.8	Very high	92 Å²	92	70.4 Å²	70.4	56%	0.564	39%	0.386	S	S	*	.	S	Bend	trans	-146.6	151.2	175.6	-171.5	0	0	0	0	110.5	R206 R225	R206-T208 VanDerWaalsContact C-N 3.29Å; R206-T208 PolarHBondContact O-N 3.16Å; T208-R225 CarbonylContact C-O 3.49Å; T208-R225 WeakPolarHBondContact CA-O 3.38Å
209	T	93.5	Very high	95.1	Very high	11 Å²	11	62.2 Å²	62.2	7%	0.067	34%	0.342	C	S	.	.			trans	-134.3	155.7	-178.9	74.3	0	0	0	0	112.9	R206 R225 R226 E227	R206-T209 HydrophobicContact CB-CG2 4.29Å; T209-R225 PolarHBondContact N-O 3.43Å; T209-R225 WeakPolarHBondContact O-CB 3.32Å; T209-R225 WeakPolarHBondContact O-CD 3.4Å; T209-R225 PolarHBondContact OG1-O 3.05Å; T209-R226 PolarHBondContact OG1-O 2.91Å; T209-E227 HydrophobicContact CG2-CB 4.22Å; T209-E227 WeakPolarHBondContact CG2-OE1 3.45Å
210	H	91.1	Very high	95.2	Very high	126 Å²	126	57.2 Å²	57.2	58%	0.583	32%	0.317	S	S	*	.			trans	-81.4	130.4	168.1	-65.8	88.5	0	0	0	109.6	Y212	H210-Y212 HydrophobicContact CB-CE1 3.88Å; H210-Y212 HydrophobicContact CB-CE2 3.82Å; H210-Y212 VanDerWaalsContact CB-CZ 3.4Å; H210-Y212 VanDerWaalsContact CB-OH 3.3Å; H210-Y212 WeakPolarHBondContact CB-OH 3.24Å
211	F	91.8	Very high	95.4	Very high	35 Å²	35	56.8 Å²	56.8	15%	0.154	30%	0.304	C	S	.	.			trans	-88	129.7	174.8	177.3	-107.4	0	0	0	109.9	G213 S218 C222 L223	F211-G213 WeakPolarHBondContact CE1-O 3.25Å; F211-G213 WeakPolarHBondContact CZ-O 3.17Å; F211-S218 WeakPolarHBondContact CE2-OG 3.32Å; F211-S218 WeakPolarHBondContact CZ-OG 3.37Å; F211-C222 HydrophobicContact CD2-CB 4.08Å; F211-C222 HydrophobicContact CE2-CB 4.07Å; F211-L223 HydrophobicContact CE1-CD2 3.98Å; F211-L223 HydrophobicContact CE2-CD2 3.98Å; F211-L223 HydrophobicContact CZ-CD2 3.65Å
212	Y	85.3	Confident	95.4	Very high	95 Å²	95	51.3 Å²	51.3	37%	0.373	28%	0.28	S	S	.	.			trans	-128.5	0.7	-179.9	-55	-59.2	0	0	0	113.1	W85 H210	W85-Y212 AromaticContact CH2-CD1 3.93Å; W85-Y212 HydrophobicContact CH2-CD1 3.93Å; W85-Y212 HydrophobicContact CH2-CG 4.39Å; W85-Y212 AromaticContact CZ2-CD1 3.31Å; W85-Y212 HydrophobicContact CZ2-CD1 3.31Å; W85-Y212 HydrophobicContact CZ2-CD2 4.44Å; W85-Y212 AromaticContact CZ2-CE1 3.64Å; W85-Y212 HydrophobicContact CZ2-CE1 3.64Å; W85-Y212 AromaticContact CZ2-CG 3.74Å; W85-Y212 HydrophobicContact CZ2-CG 3.74Å; H210-Y212 HydrophobicContact CB-CE1 3.88Å; H210-Y212 HydrophobicContact CB-CE2 3.82Å; H210-Y212 VanDerWaalsContact CB-CZ 3.4Å; H210-Y212 VanDerWaalsContact CB-OH 3.3Å; H210-Y212 WeakPolarHBondContact CB-OH 3.24Å
213	G	90	Very high	95.3	Very high	16 Å²	16	50.2 Å²	50.2	17%	0.165	27%	0.273	C	S	.	.	S	Bend	trans	-85.9	-172.8	-173.2	0	0	0	0	0	113.5	N166 F211	N166-G213 WeakPolarHBondContact OD1-CA 3.4Å; F211-G213 WeakPolarHBondContact CE1-O 3.25Å; F211-G213 WeakPolarHBondContact CZ-O 3.17Å
214	D	95.4	Very high	95.3	Very high	41 Å²	41	50.8 Å²	50.8	22%	0.219	27%	0.272	C	S	.	.			trans	-89.2	123.5	174.4	-166.9	-68.4	0	0	0	110.9	N166 K168 V216 Y217 S218	N166-D214 PolarHBondContact OD1-N 3.25Å; N166-D214 VanDerWaalsContact OD1-N 3.11Å; K168-D214 HydrophobicContact CB-CB 4.47Å; K168-D214 HydrophobicContact CD-CB 3.56Å; K168-D214 WeakPolarHBondContact CD-OD2 3.33Å; K168-D214 IonicContact NZ-OD2 2.7Å; K168-D214 PolarHBondContact NZ-OD2 3.15Å; D214-V216 PolarHBondContact O-N 3.1Å; D214-V216 WeakPolarHBondContact OD1-CB 3.32Å; D214-V216 PolarHBondContact OD1-N 3.02Å; D214-V216 VanDerWaalsContact OD1-N 3.07Å; D214-Y217 HydrophobicContact CB-CD2 4.23Å; D214-Y217 PolarHBondContact O-N 3.31Å; D214-Y217 WeakPolarHBondContact OD1-CD2 3.44Å; D214-S218 VanDerWaalsContact O-CB 3.25Å; D214-S218 WeakPolarHBondContact O-CB 3.37Å; D214-S218 PolarHBondContact O-N 3.48Å; D214-S218 PolarHBondContact O-OG 3.27Å
215	C	97.3	Very high	95.2	Very high	35 Å²	35	50.5 Å²	50.5	24%	0.236	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.6	-174.2	-63.4	0	0	0	0	113	L223 I260 K264	C215-L223 HydrophobicContact CB-CD2 4.26Å; C215-I260 HydrophobicContact CB-CD1 3.73Å; C215-K264 PolarHBondContact O-NZ 3.23Å
216	V	97.9	Very high	95.2	Very high	28 Å²	28	53.3 Å²	53.3	17%	0.17	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-46.1	-176.3	178.2	0	0	0	0	110.3	D214 L249 W251 E252 K264	D214-V216 PolarHBondContact O-N 3.1Å; D214-V216 WeakPolarHBondContact OD1-CB 3.32Å; D214-V216 PolarHBondContact OD1-N 3.02Å; D214-V216 VanDerWaalsContact OD1-N 3.07Å; V216-L249 HydrophobicContact CG1-CD1 3.73Å; V216-W251 PolarHBondContact O-NE1 2.64Å; V216-E252 HydrophobicContact CG1-CG 3.97Å; V216-K264 PolarHBondContact O-NZ 3.43Å
217	Y	98.5	Very high	95.2	Very high	31 Å²	31	49.6 Å²	49.6	12%	0.122	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.9	-173.2	-53.2	-77.7	0	0	0	114.3	I167 K168 P169 D214 S236 Y239 I240 L249	I167-Y217 WeakPolarHBondContact O-CB 3.44Å; K168-Y217 HydrophobicContact CB-CD2 3.58Å; K168-Y217 HydrophobicContact CB-CE2 4.06Å; K168-Y217 HydrophobicContact CB-CG 4.19Å; P169-Y217 HydrophobicContact CG-CE1 4.02Å; P169-Y217 HydrophobicContact CG-CE2 4.33Å; D214-Y217 HydrophobicContact CB-CD2 4.23Å; D214-Y217 PolarHBondContact O-N 3.31Å; D214-Y217 WeakPolarHBondContact OD1-CD2 3.44Å; Y217-S236 WeakPolarHBondContact O-CA 3.44Å; Y217-S236 VanDerWaalsContact O-CB 3.25Å; Y217-S236 WeakPolarHBondContact O-CB 3.5Å; Y217-S236 PolarHBondContact O-OG 3.44Å; Y217-Y239 WeakPolarHBondContact O-CD2 3.03Å; Y217-I240 HydrophobicContact CD1-CG1 3.64Å; Y217-I240 HydrophobicContact CE1-CG1 3.97Å; Y217-I240 HydrophobicContact CG-CG1 4.31Å; Y217-L249 HydrophobicContact CD1-CD1 4.31Å; Y217-L249 HydrophobicContact CE1-CD1 4.17Å
218	S	98.2	Very high	95.3	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	21%	0.207	C	C	.	.	S	Bend	trans	-70.9	149.8	-179	-61.9	0	0	0	0	112.2	F211 D214 K264	F211-S218 WeakPolarHBondContact CE2-OG 3.32Å; F211-S218 WeakPolarHBondContact CZ-OG 3.37Å; D214-S218 VanDerWaalsContact O-CB 3.25Å; D214-S218 WeakPolarHBondContact O-CB 3.37Å; D214-S218 PolarHBondContact O-N 3.48Å; D214-S218 PolarHBondContact O-OG 3.27Å; S218-K264 PolarHBondContact O-NZ 2.91Å
219	S	98.1	Very high	95.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	18%	0.181	C	C	.	.			trans	-62.7	159.8	173.7	74	0	0	0	0	112.2	D221 C222 L223 D232	S219-D221 PolarHBondContact O-N 2.92Å; S219-C222 PolarHBondContact O-N 3.29Å; S219-C222 PolarHBondContact OG-N 3.39Å; S219-C222 PolarHBondContact OG-SG 2.98Å; S219-L223 WeakPolarHBondContact O-CG 3.45Å; S219-L223 PolarHBondContact O-N 2.57Å; S219-D232 WeakPolarHBondContact CB-OD1 3.25Å; S219-D232 VanDerWaalsContact OG-CG 3.29Å; S219-D232 PolarHBondContact OG-OD1 3.47Å
220	A	97.8	Very high	95.7	Very high	13 Å²	13	39.1 Å²	39.1	11%	0.107	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-39	172.9	0	0	0	0	0	112	C222 L223 R224 K264 E265	A220-C222 VanDerWaalsContact C-N 3.34Å; A220-C222 PolarHBondContact O-N 3.47Å; A220-L223 PolarHBondContact O-N 2.86Å; A220-R224 WeakPolarHBondContact O-CB 3.31Å; A220-R224 VanDerWaalsContact O-CG 3.29Å; A220-R224 WeakPolarHBondContact O-CG 3.49Å; A220-R224 PolarHBondContact O-N 3.32Å; A220-K264 HydrophobicContact CB-CB 4.02Å; A220-E265 HydrophobicContact CB-CG 3.73Å
221	D	97.1	Very high	96.1	Very high	38 Å²	38	33.8 Å²	33.8	20%	0.203	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-42.4	178.1	-72.8	-36.8	0	0	0	112.7	S219 R224 R225 R226 K231	S219-D221 PolarHBondContact O-N 2.92Å; D221-R224 CarbonylContact O-C 3.52Å; D221-R224 PolarHBondContact O-N 2.8Å; D221-R225 PolarHBondContact O-N 3.11Å; D221-R226 HydrophobicContact CB-CB 4.2Å; D221-R226 WeakPolarHBondContact O-CB 3.46Å; D221-R226 PolarHBondContact O-N 2.64Å; D221-R226 WeakPolarHBondContact OD1-CD 3.47Å; D221-R226 IonicContact OD1-CZ 3.4Å; D221-R226 IonicContact OD1-NE 3.8Å; D221-R226 IonicContact OD1-NH1 2.71Å; D221-R226 PolarHBondContact OD1-NH1 3.19Å; D221-K231 IonicContact OD2-NZ 3.27Å; D221-K231 PolarHBondContact OD2-NZ 3.35Å
222	C	97.1	Very high	96.4	Very high	15 Å²	15	32.1 Å²	32.1	10%	0.101	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-42.4	177.3	-69.4	0	0	0	0	111.5	F211 S219 A220 R224 R225	F211-C222 HydrophobicContact CD2-CB 4.08Å; F211-C222 HydrophobicContact CE2-CB 4.07Å; S219-C222 PolarHBondContact O-N 3.29Å; S219-C222 PolarHBondContact OG-N 3.39Å; S219-C222 PolarHBondContact OG-SG 2.98Å; A220-C222 VanDerWaalsContact C-N 3.34Å; A220-C222 PolarHBondContact O-N 3.47Å; C222-R224 VanDerWaalsContact C-N 3.31Å; C222-R224 PolarHBondContact O-N 2.9Å; C222-R225 PolarHBondContact O-N 3.35Å; C222-R225 VanDerWaalsContact O-N 3.15Å
223	L	97.3	Very high	97	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-67.2	-33.9	177.7	-61.3	175.5	0	0	0	111.8	F211 C215 S219 A220 R225 P257 I260 A261 K264	F211-L223 HydrophobicContact CE1-CD2 3.98Å; F211-L223 HydrophobicContact CE2-CD2 3.98Å; F211-L223 HydrophobicContact CZ-CD2 3.65Å; C215-L223 HydrophobicContact CB-CD2 4.26Å; S219-L223 WeakPolarHBondContact O-CG 3.45Å; S219-L223 PolarHBondContact O-N 2.57Å; A220-L223 PolarHBondContact O-N 2.86Å; L223-R225 PolarHBondContact O-N 3.24Å; L223-P257 HydrophobicContact CD2-CB 4.16Å; L223-I260 HydrophobicContact CD1-CB 4Å; L223-I260 HydrophobicContact CD1-CG2 3.62Å; L223-A261 HydrophobicContact CB-CB 3.73Å; L223-A261 HydrophobicContact CD1-CB 4.1Å; L223-K264 HydrophobicContact CD1-CD 4.11Å
224	R	96.3	Very high	97.5	Very high	82 Å²	82	27 Å²	27	31%	0.309	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	10.3	173.4	-66.1	-69.1	-179.9	72.9	1.4	114.1	A220 D221 C222 R226 A261 E265	A220-R224 WeakPolarHBondContact O-CB 3.31Å; A220-R224 VanDerWaalsContact O-CG 3.29Å; A220-R224 WeakPolarHBondContact O-CG 3.49Å; A220-R224 PolarHBondContact O-N 3.32Å; D221-R224 CarbonylContact O-C 3.52Å; D221-R224 PolarHBondContact O-N 2.8Å; C222-R224 VanDerWaalsContact C-N 3.31Å; C222-R224 PolarHBondContact O-N 2.9Å; R224-R226 HydrophobicContact CB-CG 4.45Å; R224-R226 PolarHBondContact O-N 3.08Å; R224-A261 HydrophobicContact CG-CB 3.98Å; R224-E265 IonicContact CZ-OE1 3.52Å; R224-E265 IonicContact CZ-OE2 3.06Å; R224-E265 IonicContact NH1-OE1 2.88Å; R224-E265 PolarHBondContact NH1-OE1 3.15Å; R224-E265 IonicContact NH1-OE2 2.72Å; R224-E265 PolarHBondContact NH1-OE2 2.95Å; R224-E265 IonicContact NH2-OE1 3.91Å; R224-E265 IonicContact NH2-OE2 2.72Å; R224-E265 PolarHBondContact NH2-OE2 2.84Å
225	R	96.3	Very high	97.6	Very high	96 Å²	96	27 Å²	27	36%	0.362	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	22.1	176.4	-50.4	-50.8	-177.5	125.7	-9.2	114.5	T208 T209 D221 C222 L223	T208-R225 CarbonylContact C-O 3.49Å; T208-R225 WeakPolarHBondContact CA-O 3.38Å; T209-R225 PolarHBondContact N-O 3.43Å; T209-R225 WeakPolarHBondContact O-CB 3.32Å; T209-R225 WeakPolarHBondContact O-CD 3.4Å; T209-R225 PolarHBondContact OG1-O 3.05Å; D221-R225 PolarHBondContact O-N 3.11Å; C222-R225 PolarHBondContact O-N 3.35Å; C222-R225 VanDerWaalsContact O-N 3.15Å; L223-R225 PolarHBondContact O-N 3.24Å
226	R	96.2	Very high	97.7	Very high	116 Å²	116	25.5 Å²	25.5	44%	0.438	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-73.9	163.3	170.6	-62.4	173.1	-175.9	146.7	3.9	109.6	T209 D221 R224 C228 E265	T209-R226 PolarHBondContact OG1-O 2.91Å; D221-R226 HydrophobicContact CB-CB 4.2Å; D221-R226 WeakPolarHBondContact O-CB 3.46Å; D221-R226 PolarHBondContact O-N 2.64Å; D221-R226 WeakPolarHBondContact OD1-CD 3.47Å; D221-R226 IonicContact OD1-CZ 3.4Å; D221-R226 IonicContact OD1-NE 3.8Å; D221-R226 IonicContact OD1-NH1 2.71Å; D221-R226 PolarHBondContact OD1-NH1 3.19Å; R224-R226 HydrophobicContact CB-CG 4.45Å; R224-R226 PolarHBondContact O-N 3.08Å; R226-C228 PolarHBondContact O-N 3.32Å; R226-E265 IonicContact NH1-OE1 2.73Å
227	E	96.5	Very high	97.7	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.056	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-66.7	124.8	175.2	-169.9	74.8	-96.5	0	0	110.4	R193 P205 R206 T209 Y292	R193-E227 IonicContact NE-OE1 2.93Å; P205-E227 HydrophobicContact CB-CB 3.63Å; P205-E227 HydrophobicContact CB-CG 4.05Å; R206-E227 WeakPolarHBondContact CB-OE2 3.28Å; R206-E227 WeakPolarHBondContact CG-OE2 3.42Å; R206-E227 IonicContact CZ-OE1 3.27Å; R206-E227 IonicContact CZ-OE2 3.83Å; R206-E227 PolarHBondContact N-OE2 3.38Å; R206-E227 VanDerWaalsContact N-OE2 3.09Å; R206-E227 IonicContact NE-OE1 3.32Å; R206-E227 IonicContact NE-OE2 3.34Å; R206-E227 PolarHBondContact NE-OE2 2.94Å; R206-E227 IonicContact NH2-OE1 2.81Å; R206-E227 PolarHBondContact NH2-OE1 3.35Å; R206-E227 IonicContact NH2-OE2 3.53Å; R206-E227 PolarHBondContact NH2-OE2 2.99Å; T209-E227 HydrophobicContact CG2-CB 4.22Å; T209-E227 WeakPolarHBondContact CG2-OE1 3.45Å; E227-Y292 HydrophobicContact CB-CD2 4.32Å; E227-Y292 HydrophobicContact CB-CE2 4.01Å; E227-Y292 HydrophobicContact CG-CD2 4.17Å; E227-Y292 HydrophobicContact CG-CE2 3.39Å
228	C	96.1	Very high	97.7	Very high	6 Å²	6	22.9 Å²	22.9	4%	0.041	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-70.2	128.8	176.4	-179	0	0	0	0	109.2	L163 R165 R226 D232 Y292	L163-C228 HydrophobicContact CD1-CB 4.44Å; L163-C228 WeakPolarHBondContact CD1-O 3.38Å; R165-C228 HydrophobicContact CG-CB 4.25Å; R226-C228 PolarHBondContact O-N 3.32Å; C228-D232 WeakPolarHBondContact CA-OD2 3.48Å; C228-D232 VanDerWaalsContact SG-CB 3.58Å; C228-Y292 WeakPolarHBondContact O-CE2 3.11Å
229	G	97.5	Very high	97.8	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	10%	0.098	C	C	.	.			trans	-115.1	-178.5	170.9	0	0	0	0	0	111.8	K231 D232	G229-K231 PolarHBondContact O-N 2.93Å; G229-K231 VanDerWaalsContact O-N 3.17Å; G229-D232 PolarHBondContact N-OD2 3.37Å; G229-D232 WeakPolarHBondContact O-CB 3.33Å; G229-D232 PolarHBondContact O-N 3.11Å
230	R	98.5	Very high	97.8	Very high	23 Å²	23	22.8 Å²	22.8	9%	0.087	10%	0.098	C	C	.	.	H	α-helix	trans	-56.4	-34.5	-179.2	-66.6	174.8	-76	-155.2	-3.3	113.3	L163 Y195 D232 D233 F234 Y293 S294 P296	L163-R230 HydrophobicContact CD2-CB 4.24Å; L163-R230 HydrophobicContact CD2-CG 3.65Å; Y195-R230 HydrophobicContact CE1-CG 4.43Å; Y195-R230 HydrophobicContact CE2-CG 4.19Å; Y195-R230 PolarHBondContact OH-NH1 3.18Å; R230-D232 PolarHBondContact O-N 3.38Å; R230-D233 PolarHBondContact O-N 2.81Å; R230-F234 WeakPolarHBondContact O-CD2 3.39Å; R230-Y293 PolarHBondContact NH2-O 3.45Å; R230-S294 PolarHBondContact NE-O 2.79Å; R230-S294 PolarHBondContact NH2-O 2.93Å; R230-P296 HydrophobicContact CB-CG 3.78Å
231	K	98.4	Very high	97.8	Very high	13 Å²	13	22.2 Å²	22.2	6%	0.057	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-29	177.1	67.5	173.5	-177.6	52.8	0	113.3	D221 G229 F234 W235 L290	D221-K231 IonicContact OD2-NZ 3.27Å; D221-K231 PolarHBondContact OD2-NZ 3.35Å; G229-K231 PolarHBondContact O-N 2.93Å; G229-K231 VanDerWaalsContact O-N 3.17Å; K231-F234 PolarHBondContact O-N 3Å; K231-W235 PolarHBondContact O-N 3.09Å; K231-L290 HydrophobicContact CB-CB 3.71Å; K231-L290 HydrophobicContact CB-CD1 3.86Å; K231-L290 HydrophobicContact CB-CG 4.45Å; K231-L290 HydrophobicContact CD-CB 4.13Å; K231-L290 VanDerWaalsContact CD-O 3.24Å; K231-L290 WeakPolarHBondContact CD-O 3.37Å
232	D	98.6	Very high	97.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-76.9	-34.6	-173.2	-63.4	-61.5	0	0	0	111.5	S219 C228 G229 R230 F234 W235 S236	S219-D232 WeakPolarHBondContact CB-OD1 3.25Å; S219-D232 VanDerWaalsContact OG-CG 3.29Å; S219-D232 PolarHBondContact OG-OD1 3.47Å; C228-D232 WeakPolarHBondContact CA-OD2 3.48Å; C228-D232 VanDerWaalsContact SG-CB 3.58Å; G229-D232 PolarHBondContact N-OD2 3.37Å; G229-D232 WeakPolarHBondContact O-CB 3.33Å; G229-D232 PolarHBondContact O-N 3.11Å; R230-D232 PolarHBondContact O-N 3.38Å; D232-F234 VanDerWaalsContact C-N 3.25Å; D232-F234 PolarHBondContact O-N 3.11Å; D232-W235 WeakPolarHBondContact O-CB 3.37Å; D232-W235 PolarHBondContact O-N 3.45Å; D232-S236 PolarHBondContact O-N 2.93Å; D232-S236 VanDerWaalsContact O-N 3.16Å; D232-S236 PolarHBondContact O-OG 2.92Å
233	D	98.7	Very high	98	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-61.5	-35.6	168.2	-84.1	-17.3	0	0	0	110.7	T154 H158 H164 R165 I167 R230 S236 V237	T154-D233 HydrophobicContact CG2-CB 3.99Å; H158-D233 IonicContact NE2-OD2 3.43Å; H158-D233 PolarHBondContact NE2-OD2 2.88Å; H164-D233 PolarHBondContact N-OD2 3.46Å; R165-D233 PolarHBondContact N-OD1 2.64Å; I167-D233 HydrophobicContact CD1-CB 3.52Å; I167-D233 HydrophobicContact CG1-CB 4.49Å; R230-D233 PolarHBondContact O-N 2.81Å; D233-S236 WeakPolarHBondContact O-CB 3.39Å; D233-S236 PolarHBondContact O-N 3.22Å; D233-V237 WeakPolarHBondContact O-CG2 3.38Å; D233-V237 PolarHBondContact O-N 3.27Å
234	F	98.8	Very high	98	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.013	9%	0.085	C	C	.	.	H	α-helix	trans	-77.3	-28.4	175.7	-74.2	-66.2	0	0	0	114.9	I151 T154 H158 R230 K231 D232 S236 V237 L238 V287 P296 Y298 M301	I151-F234 HydrophobicContact CB-CE1 4.26Å; I151-F234 HydrophobicContact CG1-CE1 3.99Å; I151-F234 HydrophobicContact CG2-CE1 4.02Å; I151-F234 HydrophobicContact CG2-CZ 4.42Å; T154-F234 HydrophobicContact CG2-CE1 4.12Å; T154-F234 HydrophobicContact CG2-CE2 4.04Å; T154-F234 HydrophobicContact CG2-CZ 3.69Å; H158-F234 AromaticContact CE1-CE2 3.75Å; H158-F234 AromaticContact ND1-CE2 3.84Å; R230-F234 WeakPolarHBondContact O-CD2 3.39Å; K231-F234 PolarHBondContact O-N 3Å; D232-F234 VanDerWaalsContact C-N 3.25Å; D232-F234 PolarHBondContact O-N 3.11Å; F234-S236 PolarHBondContact O-N 3.27Å; F234-V237 HydrophobicContact CD1-CB 4.38Å; F234-V237 HydrophobicContact CD1-CG2 4.34Å; F234-V237 PolarHBondContact O-N 2.96Å; F234-L238 WeakPolarHBondContact O-CB 3.46Å; F234-L238 PolarHBondContact O-N 3.21Å; F234-V287 HydrophobicContact CB-CG1 4.25Å; F234-V287 HydrophobicContact CB-CG2 3.85Å; F234-P296 HydrophobicContact CD2-CB 3.88Å; F234-P296 HydrophobicContact CD2-CG 3.74Å; F234-P296 HydrophobicContact CE2-CB 3.78Å; F234-P296 HydrophobicContact CE2-CG 3.73Å; F234-Y298 HydrophobicContact CE1-CD1 4.48Å; F234-Y298 AromaticContact CE2-CD1 3.79Å; F234-Y298 HydrophobicContact CE2-CD1 3.79Å; F234-Y298 AromaticContact CE2-CE1 3.35Å; F234-Y298 HydrophobicContact CE2-CE1 3.35Å; F234-Y298 AromaticContact CZ-CD1 3.42Å; F234-Y298 HydrophobicContact CZ-CD1 3.42Å; F234-Y298 VanDerWaalsContact CZ-CD1 3.42Å; F234-Y298 AromaticContact CZ-CE1 3.38Å; F234-Y298 HydrophobicContact CZ-CE1 3.38Å; F234-M301 HydrophobicContact CD1-CE 3.64Å; F234-M301 HydrophobicContact CD1-SD 4.03Å; F234-M301 HydrophobicContact CD2-CE 4.14Å; F234-M301 HydrophobicContact CE1-CE 3.6Å; F234-M301 HydrophobicContact CE1-SD 4.48Å; F234-M301 HydrophobicContact CE2-CE 4.09Å; F234-M301 HydrophobicContact CG-CE 3.94Å; F234-M301 HydrophobicContact CG-SD 4.35Å; F234-M301 HydrophobicContact CZ-CE 3.85Å
235	W	98.7	Very high	98.1	Very high	39 Å²	39	17.6 Å²	17.6	15%	0.148	7%	0.073	C	C	.	.	H	α-helix	trans	-58.1	-43	164.5	-84.9	115.1	0	0	0	110.7	K231 D232 L238 Y239 R284 V287 S288	K231-W235 PolarHBondContact O-N 3.09Å; D232-W235 WeakPolarHBondContact O-CB 3.37Å; D232-W235 PolarHBondContact O-N 3.45Å; W235-L238 HydrophobicContact CE3-CD2 4.06Å; W235-L238 HydrophobicContact CZ3-CD2 3.9Å; W235-L238 PolarHBondContact O-N 2.66Å; W235-Y239 HydrophobicContact CB-CE2 4.2Å; W235-Y239 AromaticContact CE3-CE1 3.98Å; W235-Y239 HydrophobicContact CE3-CE1 3.98Å; W235-Y239 HydrophobicContact CE3-CE2 4.27Å; W235-Y239 AromaticContact CE3-CZ 3.66Å; W235-Y239 HydrophobicContact CZ3-CE1 4.26Å; W235-Y239 WeakPolarHBondContact O-CD2 3.34Å; W235-Y239 VanDerWaalsContact O-CG 3.27Å; W235-Y239 PolarHBondContact O-N 3.16Å; W235-R284 HydrophobicContact CH2-CG 4.27Å; W235-R284 HydrophobicContact CZ3-CG 4.31Å; W235-V287 HydrophobicContact CD2-CG1 3.73Å; W235-V287 HydrophobicContact CE3-CG1 4.43Å; W235-V287 HydrophobicContact CG-CG1 3.74Å; W235-V287 HydrophobicContact CZ2-CG1 4.29Å; W235-S288 VanDerWaalsContact CH2-OG 3.28Å; W235-S288 WeakPolarHBondContact CH2-OG 3.23Å; W235-S288 WeakPolarHBondContact CZ2-OG 3.38Å
236	S	98.8	Very high	98.1	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.028	6%	0.063	C	C	.	.	H	α-helix	trans	-64	-44.7	175.6	-61	0	0	0	0	113.2	Y217 D232 D233 F234 L238 Y239 I240	Y217-S236 WeakPolarHBondContact O-CA 3.44Å; Y217-S236 VanDerWaalsContact O-CB 3.25Å; Y217-S236 WeakPolarHBondContact O-CB 3.5Å; Y217-S236 PolarHBondContact O-OG 3.44Å; D232-S236 PolarHBondContact O-N 2.93Å; D232-S236 VanDerWaalsContact O-N 3.16Å; D232-S236 PolarHBondContact O-OG 2.92Å; D233-S236 WeakPolarHBondContact O-CB 3.39Å; D233-S236 PolarHBondContact O-N 3.22Å; F234-S236 PolarHBondContact O-N 3.27Å; S236-L238 VanDerWaalsContact C-N 3.33Å; S236-L238 PolarHBondContact O-N 3.28Å; S236-Y239 PolarHBondContact O-N 3.33Å; S236-I240 VanDerWaalsContact O-CG1 3.28Å; S236-I240 WeakPolarHBondContact O-CG1 3.35Å; S236-I240 PolarHBondContact O-N 3.32Å
237	V	98.8	Very high	98.2	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.024	5%	0.051	C	C	.	.	H	α-helix	trans	-57.1	-47.6	174.2	173.3	0	0	0	0	110.7	M150 I151 I167 D233 F234 Y239 I240 M241	M150-V237 HydrophobicContact CB-CG1 4.11Å; M150-V237 HydrophobicContact CB-CG2 4.25Å; M150-V237 HydrophobicContact CE-CG1 4.13Å; I151-V237 HydrophobicContact CG1-CG1 4.37Å; I167-V237 HydrophobicContact CD1-CG2 4.2Å; I167-V237 HydrophobicContact CG2-CG2 3.95Å; D233-V237 WeakPolarHBondContact O-CG2 3.38Å; D233-V237 PolarHBondContact O-N 3.27Å; F234-V237 HydrophobicContact CD1-CB 4.38Å; F234-V237 HydrophobicContact CD1-CG2 4.34Å; F234-V237 PolarHBondContact O-N 2.96Å; V237-Y239 PolarHBondContact O-N 3.46Å; V237-I240 WeakPolarHBondContact O-CB 3.49Å; V237-I240 PolarHBondContact O-N 3.38Å; V237-M241 HydrophobicContact CG1-CG 4.42Å; V237-M241 HydrophobicContact CG1-SD 3.85Å; V237-M241 VanDerWaalsContact O-CG 3.32Å; V237-M241 WeakPolarHBondContact O-CG 3.4Å; V237-M241 PolarHBondContact O-N 2.87Å
238	L	98.8	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.9	-46.7	178.6	176.5	62.3	0	0	0	112.1	F234 W235 S236 I240 M241 I242 M280 I283 R284	F234-L238 WeakPolarHBondContact O-CB 3.46Å; F234-L238 PolarHBondContact O-N 3.21Å; W235-L238 HydrophobicContact CE3-CD2 4.06Å; W235-L238 HydrophobicContact CZ3-CD2 3.9Å; W235-L238 PolarHBondContact O-N 2.66Å; S236-L238 VanDerWaalsContact C-N 3.33Å; S236-L238 PolarHBondContact O-N 3.28Å; L238-I240 VanDerWaalsContact C-N 3.3Å; L238-I240 PolarHBondContact O-N 2.97Å; L238-M241 PolarHBondContact O-N 2.99Å; L238-M241 VanDerWaalsContact O-N 3.15Å; L238-I242 HydrophobicContact CD1-CD1 3.99Å; L238-I242 HydrophobicContact CD1-CG1 4.21Å; L238-I242 HydrophobicContact CG-CD1 3.89Å; L238-I242 WeakPolarHBondContact O-CG1 3.38Å; L238-I242 PolarHBondContact O-N 3.05Å; L238-M280 HydrophobicContact CD1-CB 4.34Å; L238-M280 HydrophobicContact CD1-SD 4.22Å; L238-I283 HydrophobicContact CD1-CG2 4.22Å; L238-R284 HydrophobicContact CD2-CB 3.73Å; L238-R284 HydrophobicContact CD2-CG 3.97Å
239	Y	98.8	Very high	98.2	Very high	5 Å²	5	14.1 Å²	14.1	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-35.4	178	-64	-38.3	0	0	0	112.5	Y217 W235 S236 V237 K243 L249 W251 K264 L272	Y217-Y239 WeakPolarHBondContact O-CD2 3.03Å; W235-Y239 HydrophobicContact CB-CE2 4.2Å; W235-Y239 AromaticContact CE3-CE1 3.98Å; W235-Y239 HydrophobicContact CE3-CE1 3.98Å; W235-Y239 HydrophobicContact CE3-CE2 4.27Å; W235-Y239 AromaticContact CE3-CZ 3.66Å; W235-Y239 HydrophobicContact CZ3-CE1 4.26Å; W235-Y239 WeakPolarHBondContact O-CD2 3.34Å; W235-Y239 VanDerWaalsContact O-CG 3.27Å; W235-Y239 PolarHBondContact O-N 3.16Å; S236-Y239 PolarHBondContact O-N 3.33Å; V237-Y239 PolarHBondContact O-N 3.46Å; Y239-K243 VanDerWaalsContact O-CB 3.28Å; Y239-K243 WeakPolarHBondContact O-CB 3.49Å; Y239-K243 PolarHBondContact O-N 2.77Å; Y239-L249 HydrophobicContact CD1-CD2 4.45Å; Y239-W251 AromaticContact CD1-CH2 3.94Å; Y239-W251 HydrophobicContact CD1-CH2 3.94Å; Y239-W251 AromaticContact CD1-CZ2 3.78Å; Y239-W251 HydrophobicContact CD1-CZ2 3.78Å; Y239-W251 HydrophobicContact CD2-CZ2 4.4Å; Y239-W251 AromaticContact CE1-CH2 3.6Å; Y239-W251 HydrophobicContact CE1-CH2 3.6Å; Y239-W251 AromaticContact CE1-CZ2 3.77Å; Y239-W251 HydrophobicContact CE1-CZ2 3.77Å; Y239-W251 HydrophobicContact CE2-CZ2 4.37Å; Y239-W251 HydrophobicContact CG-CZ2 4.12Å; Y239-K264 HydrophobicContact CE2-CD 4.19Å; Y239-L272 HydrophobicContact CE1-CD2 4.49Å
240	I	98.8	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-49.3	171.1	-67.1	169.2	0	0	0	110	M150 I167 P169 F172 Y217 S236 V237 L238 I242 K243 M244	M150-I240 HydrophobicContact CE-CB 4.37Å; M150-I240 HydrophobicContact CE-CG2 3.86Å; M150-I240 HydrophobicContact SD-CB 4.38Å; M150-I240 HydrophobicContact SD-CD1 3.99Å; M150-I240 HydrophobicContact SD-CG2 3.91Å; I167-I240 HydrophobicContact CG2-CD1 3.67Å; P169-I240 HydrophobicContact CG-CD1 4.39Å; P169-I240 HydrophobicContact CG-CG1 3.99Å; P169-I240 HydrophobicContact CG-CG2 4.09Å; F172-I240 HydrophobicContact CE2-CD1 4.18Å; Y217-I240 HydrophobicContact CD1-CG1 3.64Å; Y217-I240 HydrophobicContact CE1-CG1 3.97Å; Y217-I240 HydrophobicContact CG-CG1 4.31Å; S236-I240 VanDerWaalsContact O-CG1 3.28Å; S236-I240 WeakPolarHBondContact O-CG1 3.35Å; S236-I240 PolarHBondContact O-N 3.32Å; V237-I240 WeakPolarHBondContact O-CB 3.49Å; V237-I240 PolarHBondContact O-N 3.38Å; L238-I240 VanDerWaalsContact C-N 3.3Å; L238-I240 PolarHBondContact O-N 2.97Å; I240-I242 PolarHBondContact O-N 3.28Å; I240-K243 PolarHBondContact O-N 3.34Å; I240-M244 HydrophobicContact CG2-CE 4.41Å; I240-M244 HydrophobicContact CG2-CG 4.02Å; I240-M244 WeakPolarHBondContact O-CB 3.21Å; I240-M244 WeakPolarHBondContact O-CG 3.42Å; I240-M244 PolarHBondContact O-N 3.11Å
241	M	98.8	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-42.6	-177.9	-67.3	174.5	69.9	0	0	112	V143 M150 V237 L238 M244 A245 M280 I283 L305	V143-M241 HydrophobicContact CG1-CB 4.01Å; V143-M241 HydrophobicContact CG1-CE 4.32Å; V143-M241 HydrophobicContact CG1-CG 4.38Å; M150-M241 HydrophobicContact CE-CG 3.79Å; V237-M241 HydrophobicContact CG1-CG 4.42Å; V237-M241 HydrophobicContact CG1-SD 3.85Å; V237-M241 VanDerWaalsContact O-CG 3.32Å; V237-M241 WeakPolarHBondContact O-CG 3.4Å; V237-M241 PolarHBondContact O-N 2.87Å; L238-M241 PolarHBondContact O-N 2.99Å; L238-M241 VanDerWaalsContact O-N 3.15Å; M241-M244 PolarHBondContact O-N 3.2Å; M241-A245 WeakPolarHBondContact O-CB 3.38Å; M241-A245 PolarHBondContact O-N 3.4Å; M241-M280 HydrophobicContact CB-CE 4.12Å; M241-M280 HydrophobicContact CB-SD 3.83Å; M241-M280 HydrophobicContact CE-CE 3.54Å; M241-M280 HydrophobicContact CE-SD 3.91Å; M241-I283 HydrophobicContact CE-CD1 4.35Å; M241-L305 HydrophobicContact CE-CD1 3.76Å; M241-L305 HydrophobicContact CE-CD2 3.44Å; M241-L305 VanDerWaalsContact CE-CD2 3.44Å; M241-L305 HydrophobicContact CE-CG 4.24Å
242	I	98.6	Very high	98.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-55.2	173.5	-68.4	167.1	0	0	0	110	L238 I240 M244 A245 V246 L249 L272 L273	L238-I242 HydrophobicContact CD1-CD1 3.99Å; L238-I242 HydrophobicContact CD1-CG1 4.21Å; L238-I242 HydrophobicContact CG-CD1 3.89Å; L238-I242 WeakPolarHBondContact O-CG1 3.38Å; L238-I242 PolarHBondContact O-N 3.05Å; I240-I242 PolarHBondContact O-N 3.28Å; I242-M244 VanDerWaalsContact C-N 3.26Å; I242-M244 PolarHBondContact O-N 2.98Å; I242-A245 PolarHBondContact O-N 2.71Å; I242-V246 HydrophobicContact CG2-CG2 4.21Å; I242-V246 WeakPolarHBondContact O-CG2 3.3Å; I242-V246 PolarHBondContact O-N 3.09Å; I242-L249 HydrophobicContact CB-CD2 4.2Å; I242-L249 HydrophobicContact CG2-CD2 3.77Å; I242-L272 HydrophobicContact CD1-CD1 4.02Å; I242-L272 HydrophobicContact CD1-CD2 4.43Å; I242-L272 HydrophobicContact CD1-CG 4.04Å; I242-L273 HydrophobicContact CD1-CD2 3.75Å; I242-L273 HydrophobicContact CG1-CD2 4.21Å
243	K	98.3	Very high	97.9	Very high	32 Å²	32	23.6 Å²	23.6	14%	0.139	13%	0.133	C	C	.	.	H	α-helix	trans	-53.2	-44.9	178.7	173.8	55	170.4	-172.6	0	111.7	Y239 I240 G247 H248 L249 E252	Y239-K243 VanDerWaalsContact O-CB 3.28Å; Y239-K243 WeakPolarHBondContact O-CB 3.49Å; Y239-K243 PolarHBondContact O-N 2.77Å; I240-K243 PolarHBondContact O-N 3.34Å; K243-G247 WeakPolarHBondContact CE-O 3.46Å; K243-G247 PolarHBondContact NZ-O 3.38Å; K243-G247 CarbonylContact O-C 3.55Å; K243-G247 WeakPolarHBondContact O-CA 3.45Å; K243-G247 PolarHBondContact O-N 2.73Å; K243-H248 VanDerWaalsContact CD-CA 3.49Å; K243-L249 HydrophobicContact CB-CD1 4.14Å; K243-L249 HydrophobicContact CB-CG 4.03Å; K243-E252 WeakPolarHBondContact CD-OE1 3.46Å; K243-E252 WeakPolarHBondContact CE-OE1 3.48Å; K243-E252 IonicContact NZ-OE1 2.97Å; K243-E252 PolarHBondContact NZ-OE1 2.98Å; K243-E252 IonicContact NZ-OE2 3.64Å; K243-E252 PolarHBondContact NZ-OE2 3.17Å
244	M	98.2	Very high	97.8	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-72.2	-27.5	-178.7	-66.1	-56.8	175.7	0	0	112.8	L126 C130 R137 F138 V143 I146 P169 I240 M241 I242	L126-M244 HydrophobicContact CB-CE 4.3Å; C130-M244 HydrophobicContact CB-CE 3.92Å; C130-M244 HydrophobicContact CB-SD 3.45Å; C130-M244 WeakPolarHBondContact CB-SD 3.23Å; C130-M244 PolarHBondContact SG-SD 3.04Å; R137-M244 CarbonylContact C-O 3.48Å; R137-M244 WeakPolarHBondContact CA-O 3.35Å; R137-M244 WeakPolarHBondContact CB-O 3.34Å; F138-M244 HydrophobicContact CD2-CB 3.91Å; F138-M244 HydrophobicContact CD2-CG 4.07Å; F138-M244 HydrophobicContact CD2-SD 3.9Å; F138-M244 HydrophobicContact CE2-CG 4.26Å; F138-M244 HydrophobicContact CE2-SD 3.69Å; F138-M244 PolarHBondContact N-O 3.31Å; V143-M244 HydrophobicContact CG2-CB 4.02Å; I146-M244 HydrophobicContact CD1-CG 4.35Å; P169-M244 HydrophobicContact CB-CE 3.49Å; P169-M244 VanDerWaalsContact CB-CE 3.49Å; P169-M244 HydrophobicContact CG-CE 3.49Å; P169-M244 VanDerWaalsContact CG-CE 3.49Å; I240-M244 HydrophobicContact CG2-CE 4.41Å; I240-M244 HydrophobicContact CG2-CG 4.02Å; I240-M244 WeakPolarHBondContact O-CB 3.21Å; I240-M244 WeakPolarHBondContact O-CG 3.42Å; I240-M244 PolarHBondContact O-N 3.11Å; M241-M244 PolarHBondContact O-N 3.2Å; I242-M244 VanDerWaalsContact C-N 3.26Å; I242-M244 PolarHBondContact O-N 2.98Å
245	A	98	Very high	97.6	Very high	8 Å²	8	31.1 Å²	31.1	7%	0.066	17%	0.173	C	C	.	.	H	α-helix	trans	-79.6	-41.5	176.1	0	0	0	0	0	113	R137 V143 M241 I242	R137-A245 WeakPolarHBondContact CD-O 3.44Å; V143-A245 HydrophobicContact CG1-CB 4.4Å; V143-A245 HydrophobicContact CG2-CB 4.09Å; M241-A245 WeakPolarHBondContact O-CB 3.38Å; M241-A245 PolarHBondContact O-N 3.4Å; I242-A245 PolarHBondContact O-N 2.71Å
246	V	97.2	Very high	97.5	Very high	24 Å²	24	32.9 Å²	32.9	15%	0.145	19%	0.186	C	C	.	.	H	α-helix	trans	-107	-14.2	-171.2	-48.2	0	0	0	0	113.9	I242 H248 N274 C276	I242-V246 HydrophobicContact CG2-CG2 4.21Å; I242-V246 WeakPolarHBondContact O-CG2 3.3Å; I242-V246 PolarHBondContact O-N 3.09Å; V246-H248 WeakPolarHBondContact CG2-O 3.31Å; V246-N274 WeakPolarHBondContact CG1-O 3.25Å; V246-C276 VanDerWaalsContact CG1-SG 3.51Å
247	G	96.8	Very high	97.4	Very high	19 Å²	19	34.6 Å²	34.6	20%	0.196	20%	0.196	C	C	.	.	S	Bend	trans	88.1	-5.2	178.3	0	0	0	0	0	115	K243	K243-G247 WeakPolarHBondContact CE-O 3.46Å; K243-G247 PolarHBondContact NZ-O 3.38Å; K243-G247 CarbonylContact O-C 3.55Å; K243-G247 WeakPolarHBondContact O-CA 3.45Å; K243-G247 PolarHBondContact O-N 2.73Å
248	H	96.3	Very high	97.3	Very high	109 Å²	109	39.5 Å²	39.5	51%	0.505	22%	0.221	S	C	.	.			trans	-153.1	160.9	178.4	68.1	-74.1	0	0	0	113.5	K243 V246 E252	K243-H248 VanDerWaalsContact CD-CA 3.49Å; V246-H248 WeakPolarHBondContact CG2-O 3.31Å; H248-E252 WeakPolarHBondContact CA-OE1 3.47Å
249	L	97.8	Very high	97.2	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	24%	0.243	C	C	.	.			trans	-117.7	146.5	162.6	-70	164.5	0	0	0	109.3	V216 Y217 Y239 I242 K243 W251 E252	V216-L249 HydrophobicContact CG1-CD1 3.73Å; Y217-L249 HydrophobicContact CD1-CD1 4.31Å; Y217-L249 HydrophobicContact CE1-CD1 4.17Å; Y239-L249 HydrophobicContact CD1-CD2 4.45Å; I242-L249 HydrophobicContact CB-CD2 4.2Å; I242-L249 HydrophobicContact CG2-CD2 3.77Å; K243-L249 HydrophobicContact CB-CD1 4.14Å; K243-L249 HydrophobicContact CB-CG 4.03Å; L249-W251 HydrophobicContact CB-CZ2 4.33Å; L249-W251 HydrophobicContact CD1-CZ2 4.31Å; L249-W251 HydrophobicContact CD2-CH2 4.42Å; L249-W251 HydrophobicContact CD2-CZ2 4.02Å; L249-W251 HydrophobicContact CG-CZ2 4.46Å; L249-W251 PolarHBondContact O-N 3.49Å; L249-W251 VanDerWaalsContact O-N 3.07Å; L249-E252 HydrophobicContact CB-CG 4.07Å; L249-E252 PolarHBondContact N-OE1 3.38Å; L249-E252 PolarHBondContact O-N 3.5Å
250	P	97.5	Very high	97.2	Very high	49 Å²	49	44 Å²	44	32%	0.318	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.6	-172.7	-29.4	39.9	0	0	0	116.1	I267	P250-I267 HydrophobicContact CB-CD1 3.82Å; P250-I267 HydrophobicContact CG-CD1 3.49Å; P250-I267 VanDerWaalsContact CG-CD1 3.49Å
251	W	97.8	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	11.1	-174.2	51.2	75.2	0	0	0	114.2	V216 Y239 L249 S253 V254 I260 M263 K264 I267 L272	V216-W251 PolarHBondContact O-NE1 2.64Å; Y239-W251 AromaticContact CD1-CH2 3.94Å; Y239-W251 HydrophobicContact CD1-CH2 3.94Å; Y239-W251 AromaticContact CD1-CZ2 3.78Å; Y239-W251 HydrophobicContact CD1-CZ2 3.78Å; Y239-W251 HydrophobicContact CD2-CZ2 4.4Å; Y239-W251 AromaticContact CE1-CH2 3.6Å; Y239-W251 HydrophobicContact CE1-CH2 3.6Å; Y239-W251 AromaticContact CE1-CZ2 3.77Å; Y239-W251 HydrophobicContact CE1-CZ2 3.77Å; Y239-W251 HydrophobicContact CE2-CZ2 4.37Å; Y239-W251 HydrophobicContact CG-CZ2 4.12Å; L249-W251 HydrophobicContact CB-CZ2 4.33Å; L249-W251 HydrophobicContact CD1-CZ2 4.31Å; L249-W251 HydrophobicContact CD2-CH2 4.42Å; L249-W251 HydrophobicContact CD2-CZ2 4.02Å; L249-W251 HydrophobicContact CG-CZ2 4.46Å; L249-W251 PolarHBondContact O-N 3.49Å; L249-W251 VanDerWaalsContact O-N 3.07Å; W251-S253 VanDerWaalsContact C-N 3.27Å; W251-S253 PolarHBondContact O-N 2.85Å; W251-V254 HydrophobicContact CB-CG2 4.42Å; W251-V254 WeakPolarHBondContact O-CB 3.18Å; W251-V254 PolarHBondContact O-N 3.2Å; W251-I260 HydrophobicContact CB-CG1 4.42Å; W251-I260 HydrophobicContact CB-CG2 4.2Å; W251-I260 HydrophobicContact CG-CG2 3.89Å; W251-M263 HydrophobicContact CB-CE 3.98Å; W251-M263 HydrophobicContact CB-SD 3.94Å; W251-M263 HydrophobicContact CE3-CB 4.5Å; W251-K264 HydrophobicContact CD2-CG 4.06Å; W251-K264 HydrophobicContact CE3-CG 3.93Å; W251-K264 HydrophobicContact CH2-CG 3.76Å; W251-K264 HydrophobicContact CZ2-CD 4.26Å; W251-K264 HydrophobicContact CZ2-CG 3.89Å; W251-K264 HydrophobicContact CZ3-CG 3.78Å; W251-K264 VanDerWaalsContact NE1-CE 3.28Å; W251-I267 HydrophobicContact CZ3-CD1 4.24Å; W251-I267 HydrophobicContact CZ3-CG2 4.34Å; W251-L272 HydrophobicContact CH2-CD1 3.71Å; W251-L272 HydrophobicContact CZ3-CD1 4.09Å
252	E	95.5	Very high	97.1	Very high	77 Å²	77	49.2 Å²	49.2	36%	0.36	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.4	-174.7	-83.6	178.9	-141.6	0	0	115.2	V216 K243 H248 L249 V254	V216-E252 HydrophobicContact CG1-CG 3.97Å; K243-E252 WeakPolarHBondContact CD-OE1 3.46Å; K243-E252 WeakPolarHBondContact CE-OE1 3.48Å; K243-E252 IonicContact NZ-OE1 2.97Å; K243-E252 PolarHBondContact NZ-OE1 2.98Å; K243-E252 IonicContact NZ-OE2 3.64Å; K243-E252 PolarHBondContact NZ-OE2 3.17Å; H248-E252 WeakPolarHBondContact CA-OE1 3.47Å; L249-E252 HydrophobicContact CB-CG 4.07Å; L249-E252 PolarHBondContact N-OE1 3.38Å; L249-E252 PolarHBondContact O-N 3.5Å; E252-V254 VanDerWaalsContact C-N 3.31Å
253	S	95.6	Very high	97.1	Very high	111 Å²	111	51.8 Å²	51.8	78%	0.776	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.4	177.9	58.4	0	0	0	0	113.3	W251	W251-S253 VanDerWaalsContact C-N 3.27Å; W251-S253 PolarHBondContact O-N 2.85Å
254	V	97	Very high	97.1	Very high	28 Å²	28	51.1 Å²	51.1	17%	0.17	28%	0.277	C	S	.	.			trans	-87.5	132.8	-178.8	-176.5	0	0	0	0	109.2	W251 E252 Q259 I260 M263	W251-V254 HydrophobicContact CB-CG2 4.42Å; W251-V254 WeakPolarHBondContact O-CB 3.18Å; W251-V254 PolarHBondContact O-N 3.2Å; E252-V254 VanDerWaalsContact C-N 3.31Å; V254-Q259 HydrophobicContact CG1-CB 3.92Å; V254-Q259 HydrophobicContact CG1-CG 3.92Å; V254-Q259 VanDerWaalsContact CG1-OE1 3.28Å; V254-I260 HydrophobicContact CB-CG1 3.82Å; V254-I260 HydrophobicContact CG1-CD1 4.49Å; V254-I260 HydrophobicContact CG1-CG1 3.67Å; V254-I260 WeakPolarHBondContact O-CD1 3.28Å; V254-M263 HydrophobicContact CG2-SD 3.75Å
255	I	94.4	Very high	97.1	Very high	135 Å²	135	55 Å²	55	69%	0.692	30%	0.295	S	S	*	.			trans	-95.5	-40	-175.9	-59.9	174.4	0	0	0	111.1	L21 P257	L21-I255 HydrophobicContact CD2-CG2 4.35Å; I255-P257 VanDerWaalsContact O-CD 3.29Å; I255-P257 WeakPolarHBondContact O-CD 3.47Å
256	D	96	Very high	97.1	Very high	76 Å²	76	59.6 Å²	59.6	41%	0.406	32%	0.322	S	S	.	.			trans	-72.8	117.3	-174.6	-180	6.2	0	0	0	111.8	I258 Q259 I260	D256-I258 PolarHBondContact O-N 2.9Å; D256-I258 PolarHBondContact OD1-N 2.91Å; D256-Q259 HydrophobicContact CB-CB 4.05Å; D256-Q259 PolarHBondContact O-N 2.67Å; D256-I260 WeakPolarHBondContact O-CG1 3.39Å; D256-I260 PolarHBondContact O-N 3.32Å
257	P	95.9	Very high	97.1	Very high	39 Å²	39	59.9 Å²	59.9	25%	0.253	32%	0.323	S	S	.	.	H	α-helix	trans	-53.7	-33.4	175.5	-26.3	35.9	0	0	0	114.4	L223 I255 A261	L223-P257 HydrophobicContact CD2-CB 4.16Å; I255-P257 VanDerWaalsContact O-CD 3.29Å; I255-P257 WeakPolarHBondContact O-CD 3.47Å; P257-A261 WeakPolarHBondContact O-CB 3.44Å; P257-A261 PolarHBondContact O-N 3.01Å
258	I	96.3	Very high	97.1	Very high	107 Å²	107	61.2 Å²	61.2	55%	0.549	33%	0.329	S	S	.	.	H	α-helix	trans	-70	-45.5	-178.5	-61.4	176.8	0	0	0	110	D256 A261 E262	D256-I258 PolarHBondContact O-N 2.9Å; D256-I258 PolarHBondContact OD1-N 2.91Å; I258-A261 WeakPolarHBondContact O-CB 3.13Å; I258-A261 PolarHBondContact O-N 3.49Å; I258-E262 PolarHBondContact O-N 2.98Å
259	Q	97.9	Very high	97.1	Very high	99 Å²	99	59.5 Å²	59.5	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-63.6	-41.1	175.8	-170	176.1	27.4	0	0	111.8	V254 D256 A261 E262 M263	V254-Q259 HydrophobicContact CG1-CB 3.92Å; V254-Q259 HydrophobicContact CG1-CG 3.92Å; V254-Q259 VanDerWaalsContact CG1-OE1 3.28Å; D256-Q259 HydrophobicContact CB-CB 4.05Å; D256-Q259 PolarHBondContact O-N 2.67Å; Q259-A261 VanDerWaalsContact C-N 3.29Å; Q259-A261 PolarHBondContact O-N 3.03Å; Q259-E262 PolarHBondContact O-N 3.19Å; Q259-M263 WeakPolarHBondContact O-CG 3.48Å; Q259-M263 PolarHBondContact O-N 2.66Å
260	I	98.3	Very high	97.1	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-41.5	174.5	-63	165.7	0	0	0	110.6	C215 L223 W251 V254 D256 M263 K264	C215-I260 HydrophobicContact CB-CD1 3.73Å; L223-I260 HydrophobicContact CD1-CB 4Å; L223-I260 HydrophobicContact CD1-CG2 3.62Å; W251-I260 HydrophobicContact CB-CG1 4.42Å; W251-I260 HydrophobicContact CB-CG2 4.2Å; W251-I260 HydrophobicContact CG-CG2 3.89Å; V254-I260 HydrophobicContact CB-CG1 3.82Å; V254-I260 HydrophobicContact CG1-CD1 4.49Å; V254-I260 HydrophobicContact CG1-CG1 3.67Å; V254-I260 WeakPolarHBondContact O-CD1 3.28Å; D256-I260 WeakPolarHBondContact O-CG1 3.39Å; D256-I260 PolarHBondContact O-N 3.32Å; I260-M263 PolarHBondContact O-N 3.07Å; I260-K264 HydrophobicContact CG2-CD 3.95Å; I260-K264 HydrophobicContact CG2-CG 4.48Å; I260-K264 WeakPolarHBondContact O-CB 3.4Å; I260-K264 VanDerWaalsContact O-CG 3.31Å; I260-K264 WeakPolarHBondContact O-CG 3.24Å; I260-K264 PolarHBondContact O-N 3.38Å
261	A	98.2	Very high	97	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-43.7	177.7	0	0	0	0	0	112	L223 R224 P257 I258 Q259 K264 E265	L223-A261 HydrophobicContact CB-CB 3.73Å; L223-A261 HydrophobicContact CD1-CB 4.1Å; R224-A261 HydrophobicContact CG-CB 3.98Å; P257-A261 WeakPolarHBondContact O-CB 3.44Å; P257-A261 PolarHBondContact O-N 3.01Å; I258-A261 WeakPolarHBondContact O-CB 3.13Å; I258-A261 PolarHBondContact O-N 3.49Å; Q259-A261 VanDerWaalsContact C-N 3.29Å; Q259-A261 PolarHBondContact O-N 3.03Å; A261-K264 PolarHBondContact O-N 3.04Å; A261-E265 WeakPolarHBondContact O-CG 3.18Å; A261-E265 PolarHBondContact O-N 3.43Å
262	E	98.3	Very high	97	Very high	110 Å²	110	71.3 Å²	71.3	51%	0.514	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-45.1	175.6	-176.3	175.4	-165.2	0	0	111.9	I258 Q259 K264 E265 T266	I258-E262 PolarHBondContact O-N 2.98Å; Q259-E262 PolarHBondContact O-N 3.19Å; E262-K264 VanDerWaalsContact C-N 3.33Å; E262-K264 PolarHBondContact O-N 3.11Å; E262-E265 PolarHBondContact O-N 3.39Å; E262-T266 WeakPolarHBondContact O-CB 3.36Å; E262-T266 WeakPolarHBondContact O-CG2 3.13Å; E262-T266 PolarHBondContact O-N 3.24Å; E262-T266 PolarHBondContact O-OG1 3.04Å
263	M	98.4	Very high	97.1	Very high	55 Å²	55	68.9 Å²	68.9	27%	0.271	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-43.7	174.2	-70.3	178.9	72.4	0	0	111.7	W251 V254 Q259 I260 E265 T266 I267	W251-M263 HydrophobicContact CB-CE 3.98Å; W251-M263 HydrophobicContact CB-SD 3.94Å; W251-M263 HydrophobicContact CE3-CB 4.5Å; V254-M263 HydrophobicContact CG2-SD 3.75Å; Q259-M263 WeakPolarHBondContact O-CG 3.48Å; Q259-M263 PolarHBondContact O-N 2.66Å; I260-M263 PolarHBondContact O-N 3.07Å; M263-E265 VanDerWaalsContact C-N 3.29Å; M263-E265 PolarHBondContact O-N 3.03Å; M263-T266 PolarHBondContact O-N 2.94Å; M263-I267 WeakPolarHBondContact O-CB 3.48Å; M263-I267 VanDerWaalsContact O-CG2 3.29Å; M263-I267 WeakPolarHBondContact O-CG2 3.32Å; M263-I267 PolarHBondContact O-N 2.77Å
264	K	98.3	Very high	97.2	Very high	17 Å²	17	69.4 Å²	69.4	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-32.3	178.5	-76.6	171.2	176.9	173.2	0	113.4	C215 V216 S218 A220 L223 Y239 W251 I260 A261 E262	C215-K264 PolarHBondContact O-NZ 3.23Å; V216-K264 PolarHBondContact O-NZ 3.43Å; S218-K264 PolarHBondContact O-NZ 2.91Å; A220-K264 HydrophobicContact CB-CB 4.02Å; L223-K264 HydrophobicContact CD1-CD 4.11Å; Y239-K264 HydrophobicContact CE2-CD 4.19Å; W251-K264 HydrophobicContact CD2-CG 4.06Å; W251-K264 HydrophobicContact CE3-CG 3.93Å; W251-K264 HydrophobicContact CH2-CG 3.76Å; W251-K264 HydrophobicContact CZ2-CD 4.26Å; W251-K264 HydrophobicContact CZ2-CG 3.89Å; W251-K264 HydrophobicContact CZ3-CG 3.78Å; W251-K264 VanDerWaalsContact NE1-CE 3.28Å; I260-K264 HydrophobicContact CG2-CD 3.95Å; I260-K264 HydrophobicContact CG2-CG 4.48Å; I260-K264 WeakPolarHBondContact O-CB 3.4Å; I260-K264 VanDerWaalsContact O-CG 3.31Å; I260-K264 WeakPolarHBondContact O-CG 3.24Å; I260-K264 PolarHBondContact O-N 3.38Å; A261-K264 PolarHBondContact O-N 3.04Å; E262-K264 VanDerWaalsContact C-N 3.33Å; E262-K264 PolarHBondContact O-N 3.11Å
265	E	97.5	Very high	97.2	Very high	86 Å²	86	71 Å²	71	40%	0.402	38%	0.38	S	S	.	.	H	α-helix	trans	-79.8	-28.5	178.4	-72.4	173.9	166.7	0	0	113	A220 R224 R226 A261 E262 M263	A220-E265 HydrophobicContact CB-CG 3.73Å; R224-E265 IonicContact CZ-OE1 3.52Å; R224-E265 IonicContact CZ-OE2 3.06Å; R224-E265 IonicContact NH1-OE1 2.88Å; R224-E265 PolarHBondContact NH1-OE1 3.15Å; R224-E265 IonicContact NH1-OE2 2.72Å; R224-E265 PolarHBondContact NH1-OE2 2.95Å; R224-E265 IonicContact NH2-OE1 3.91Å; R224-E265 IonicContact NH2-OE2 2.72Å; R224-E265 PolarHBondContact NH2-OE2 2.84Å; R226-E265 IonicContact NH1-OE1 2.73Å; A261-E265 WeakPolarHBondContact O-CG 3.18Å; A261-E265 PolarHBondContact O-N 3.43Å; E262-E265 PolarHBondContact O-N 3.39Å; M263-E265 VanDerWaalsContact C-N 3.29Å; M263-E265 PolarHBondContact O-N 3.03Å
266	T	97.6	Very high	97.3	Very high	104 Å²	104	65.7 Å²	65.7	64%	0.638	36%	0.355	S	S	*	.	H	α-helix	trans	-108.6	-18.5	-170	56.9	0	0	0	0	114.5	E262 M263 S268	E262-T266 WeakPolarHBondContact O-CB 3.36Å; E262-T266 WeakPolarHBondContact O-CG2 3.13Å; E262-T266 PolarHBondContact O-N 3.24Å; E262-T266 PolarHBondContact O-OG1 3.04Å; M263-T266 PolarHBondContact O-N 2.94Å; T266-S268 PolarHBondContact O-N 3.27Å
267	I	97.8	Very high	97.4	Very high	30 Å²	30	62.2 Å²	62.2	15%	0.154	34%	0.336	C	S	.	.			trans	-58.3	136.2	179.8	-169.6	166.4	0	0	0	111.4	P250 W251 M263 Q271 L272	P250-I267 HydrophobicContact CB-CD1 3.82Å; P250-I267 HydrophobicContact CG-CD1 3.49Å; P250-I267 VanDerWaalsContact CG-CD1 3.49Å; W251-I267 HydrophobicContact CZ3-CD1 4.24Å; W251-I267 HydrophobicContact CZ3-CG2 4.34Å; M263-I267 WeakPolarHBondContact O-CB 3.48Å; M263-I267 VanDerWaalsContact O-CG2 3.29Å; M263-I267 WeakPolarHBondContact O-CG2 3.32Å; M263-I267 PolarHBondContact O-N 2.77Å; I267-Q271 HydrophobicContact CD1-CB 4.03Å; I267-Q271 HydrophobicContact CG1-CB 3.73Å; I267-L272 HydrophobicContact CD1-CB 4.09Å; I267-L272 HydrophobicContact CG1-CB 4.3Å; I267-L272 HydrophobicContact CG2-CB 4.33Å
268	S	97.6	Very high	97.5	Very high	46 Å²	46	64.1 Å²	64.1	32%	0.322	35%	0.348	S	S	.	.			trans	-71.3	151	175.8	82.6	0	0	0	0	111	T266 E270 Q271 L272	T266-S268 PolarHBondContact O-N 3.27Å; S268-E270 PolarHBondContact O-N 3.38Å; S268-Q271 PolarHBondContact O-N 3.38Å; S268-Q271 VanDerWaalsContact O-N 3.14Å; S268-Q271 WeakPolarHBondContact OG-CG 3.21Å; S268-Q271 PolarHBondContact OG-N 2.9Å; S268-Q271 VanDerWaalsContact OG-N 3.09Å; S268-Q271 PolarHBondContact OG-OE1 3.15Å; S268-L272 PolarHBondContact O-N 3.17Å
269	N	96.2	Very high	97.6	Very high	73 Å²	73	59 Å²	59	39%	0.39	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-34.4	175.4	-62.1	-33.9	0	0	0	111.5	L272 L273 R284	N269-L272 PolarHBondContact O-N 3.48Å; N269-L273 WeakPolarHBondContact O-CB 3.25Å; N269-L273 WeakPolarHBondContact O-CG 3.21Å; N269-L273 PolarHBondContact O-N 3.4Å; N269-R284 PolarHBondContact ND2-NH2 3.4Å; N269-R284 PolarHBondContact OD1-NE 2.94Å; N269-R284 PolarHBondContact OD1-NH1 3.01Å; N269-R284 VanDerWaalsContact OD1-NH1 3.14Å
270	E	96.2	Very high	97.6	Very high	165 Å²	165	54.3 Å²	54.3	77%	0.771	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-44.8	175.8	-176.4	-178.8	-176.9	0	0	111.4	S268 N274	S268-E270 PolarHBondContact O-N 3.38Å; E270-N274 WeakPolarHBondContact O-CA 3.18Å; E270-N274 WeakPolarHBondContact O-CB 3.45Å; E270-N274 PolarHBondContact O-N 3.4Å
271	Q	97	Very high	97.6	Very high	126 Å²	126	56.2 Å²	56.2	59%	0.589	31%	0.311	S	S	*	.	H	α-helix	trans	-68.9	-43.8	177.9	-72.7	173.1	-44	0	0	112	I267 S268	I267-Q271 HydrophobicContact CD1-CB 4.03Å; I267-Q271 HydrophobicContact CG1-CB 3.73Å; S268-Q271 PolarHBondContact O-N 3.38Å; S268-Q271 VanDerWaalsContact O-N 3.14Å; S268-Q271 WeakPolarHBondContact OG-CG 3.21Å; S268-Q271 PolarHBondContact OG-N 2.9Å; S268-Q271 VanDerWaalsContact OG-N 3.09Å; S268-Q271 PolarHBondContact OG-OE1 3.15Å
272	L	97.7	Very high	97.6	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-67.9	-39.8	-178.6	177.5	60.2	0	0	0	112.3	Y239 I242 W251 I267 S268 N269	Y239-L272 HydrophobicContact CE1-CD2 4.49Å; I242-L272 HydrophobicContact CD1-CD1 4.02Å; I242-L272 HydrophobicContact CD1-CD2 4.43Å; I242-L272 HydrophobicContact CD1-CG 4.04Å; W251-L272 HydrophobicContact CH2-CD1 3.71Å; W251-L272 HydrophobicContact CZ3-CD1 4.09Å; I267-L272 HydrophobicContact CD1-CB 4.09Å; I267-L272 HydrophobicContact CG1-CB 4.3Å; I267-L272 HydrophobicContact CG2-CB 4.33Å; S268-L272 PolarHBondContact O-N 3.17Å; N269-L272 PolarHBondContact O-N 3.48Å
273	L	97.9	Very high	97.6	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.131	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	11.9	-173.4	-55.6	179.7	0	0	0	112.9	I242 N269 G275 C276 M280 D281	I242-L273 HydrophobicContact CD1-CD2 3.75Å; I242-L273 HydrophobicContact CG1-CD2 4.21Å; N269-L273 WeakPolarHBondContact O-CB 3.25Å; N269-L273 WeakPolarHBondContact O-CG 3.21Å; N269-L273 PolarHBondContact O-N 3.4Å; L273-G275 PolarHBondContact O-N 2.98Å; L273-G275 VanDerWaalsContact O-N 3.16Å; L273-C276 HydrophobicContact CB-CB 4.23Å; L273-C276 VanDerWaalsContact O-CB 3.26Å; L273-C276 WeakPolarHBondContact O-CB 3.42Å; L273-C276 PolarHBondContact O-N 3.33Å; L273-M280 HydrophobicContact CD2-CB 3.99Å; L273-D281 HydrophobicContact CD1-CB 3.55Å
274	N	97.2	Very high	97.6	Very high	123 Å²	123	53.1 Å²	53.1	66%	0.658	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	122	178.1	-174.8	23.2	0	0	0	110.7	V246 E270 C276	V246-N274 WeakPolarHBondContact CG1-O 3.25Å; E270-N274 WeakPolarHBondContact O-CA 3.18Å; E270-N274 WeakPolarHBondContact O-CB 3.45Å; E270-N274 PolarHBondContact O-N 3.4Å; N274-C276 PolarHBondContact O-N 2.96Å
275	G	96.4	Very high	97.6	Very high	62 Å²	62	58.4 Å²	58.4	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	6.1	-177	0	0	0	0	0	115.2	L273	L273-G275 PolarHBondContact O-N 2.98Å; L273-G275 VanDerWaalsContact O-N 3.16Å
276	C	97.7	Very high	97.7	Very high	22 Å²	22	56.4 Å²	56.4	15%	0.149	31%	0.306	C	S	.	.			trans	-81.1	150.5	174.9	-71	0	0	0	0	112.1	V246 L273 N274 M280	V246-C276 VanDerWaalsContact CG1-SG 3.51Å; L273-C276 HydrophobicContact CB-CB 4.23Å; L273-C276 VanDerWaalsContact O-CB 3.26Å; L273-C276 WeakPolarHBondContact O-CB 3.42Å; L273-C276 PolarHBondContact O-N 3.33Å; N274-C276 PolarHBondContact O-N 2.96Å; C276-M280 HydrophobicContact CB-CB 4.13Å; C276-M280 HydrophobicContact CB-CG 3.98Å
277	P	96.9	Very high	97.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.019	28%	0.275	C	S	.	.			trans	-57.8	143.7	164.8	15	-23	0	0	0	111.7	E140 F144 E279 M280	E140-P277 HydrophobicContact CG-CG 4.39Å; E140-P277 WeakPolarHBondContact OE1-CB 3.5Å; F144-P277 HydrophobicContact CE1-CB 3.87Å; F144-P277 HydrophobicContact CE1-CG 3.58Å; F144-P277 HydrophobicContact CZ-CB 3.63Å; F144-P277 HydrophobicContact CZ-CG 3.87Å; P277-E279 WeakPolarHBondContact CB-OE2 3.39Å; P277-E279 PolarHBondContact O-N 3.23Å; P277-E279 VanDerWaalsContact O-N 3.07Å; P277-M280 HydrophobicContact CG-CE 3.65Å; P277-M280 HydrophobicContact CG-CG 3.97Å; P277-M280 WeakPolarHBondContact O-CB 3.4Å; P277-M280 WeakPolarHBondContact O-CG 3.42Å; P277-M280 PolarHBondContact O-N 3.45Å
278	P	97.3	Very high	97.7	Very high	79 Å²	79	52.7 Å²	52.7	51%	0.513	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23	-177.7	23.8	-34.5	0	0	0	113.8	M280 D281	P278-M280 PolarHBondContact O-N 3.38Å; P278-D281 PolarHBondContact O-N 2.65Å
279	E	98.5	Very high	97.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-53.1	-34.6	171.8	-68.3	83	174.8	0	0	112.6	F144 P277 D281 I282 I283 V304 G308 R311 R312	F144-E279 HydrophobicContact CE1-CB 4.3Å; F144-E279 HydrophobicContact CE2-CG 4.23Å; F144-E279 HydrophobicContact CZ-CB 4.11Å; F144-E279 VanDerWaalsContact CZ-CD 3.5Å; F144-E279 HydrophobicContact CZ-CG 3.87Å; P277-E279 WeakPolarHBondContact CB-OE2 3.39Å; P277-E279 PolarHBondContact O-N 3.23Å; P277-E279 VanDerWaalsContact O-N 3.07Å; E279-D281 VanDerWaalsContact C-N 3.34Å; E279-D281 PolarHBondContact O-N 3.37Å; E279-I282 PolarHBondContact O-N 2.98Å; E279-I283 PolarHBondContact O-N 2.59Å; E279-I283 VanDerWaalsContact O-N 3.11Å; E279-V304 HydrophobicContact CB-CG1 3.74Å; E279-V304 HydrophobicContact CG-CG1 3.97Å; E279-G308 WeakPolarHBondContact OE1-CA 3.29Å; E279-R311 IonicContact OE1-CZ 3.05Å; E279-R311 IonicContact OE1-NE 2.68Å; E279-R311 PolarHBondContact OE1-NE 3.07Å; E279-R311 IonicContact OE1-NH2 2.81Å; E279-R311 PolarHBondContact OE1-NH2 3.25Å; E279-R311 IonicContact OE2-NH2 3.84Å; E279-R312 IonicContact OE1-CZ 2.92Å; E279-R312 IonicContact OE1-NH1 2.72Å; E279-R312 PolarHBondContact OE1-NH1 3.3Å; E279-R312 IonicContact OE2-NH1 3.58Å; E279-R312 IonicContact OE2-NH2 3.17Å
280	M	98.4	Very high	97.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-36	179.9	-59.8	-55.7	150	0	0	112.4	V143 F144 L238 M241 L273 C276 P277 P278 I282 R284	V143-M280 HydrophobicContact CG1-CE 3.8Å; F144-M280 HydrophobicContact CD1-CE 3.97Å; F144-M280 HydrophobicContact CE1-CE 3.58Å; L238-M280 HydrophobicContact CD1-CB 4.34Å; L238-M280 HydrophobicContact CD1-SD 4.22Å; M241-M280 HydrophobicContact CB-CE 4.12Å; M241-M280 HydrophobicContact CB-SD 3.83Å; M241-M280 HydrophobicContact CE-CE 3.54Å; M241-M280 HydrophobicContact CE-SD 3.91Å; L273-M280 HydrophobicContact CD2-CB 3.99Å; C276-M280 HydrophobicContact CB-CB 4.13Å; C276-M280 HydrophobicContact CB-CG 3.98Å; P277-M280 HydrophobicContact CG-CE 3.65Å; P277-M280 HydrophobicContact CG-CG 3.97Å; P277-M280 WeakPolarHBondContact O-CB 3.4Å; P277-M280 WeakPolarHBondContact O-CG 3.42Å; P277-M280 PolarHBondContact O-N 3.45Å; P278-M280 PolarHBondContact O-N 3.38Å; M280-I282 VanDerWaalsContact C-N 3.35Å; M280-R284 VanDerWaalsContact O-CB 3.23Å; M280-R284 WeakPolarHBondContact O-CB 3.37Å; M280-R284 PolarHBondContact O-N 2.93Å
281	D	98.5	Very high	97.9	Very high	43 Å²	43	48.6 Å²	48.6	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-35.2	176.5	-176	58.9	0	0	0	111.8	L273 P278 E279 R284 R285	L273-D281 HydrophobicContact CD1-CB 3.55Å; P278-D281 PolarHBondContact O-N 2.65Å; E279-D281 VanDerWaalsContact C-N 3.34Å; E279-D281 PolarHBondContact O-N 3.37Å; D281-R284 PolarHBondContact O-N 3.33Å; D281-R284 IonicContact OD1-CZ 3.6Å; D281-R284 VanDerWaalsContact OD1-CZ 3.32Å; D281-R284 IonicContact OD1-NE 3.73Å; D281-R284 PolarHBondContact OD1-NE 3.33Å; D281-R284 IonicContact OD1-NH2 2.66Å; D281-R284 PolarHBondContact OD1-NH2 3.07Å; D281-R285 WeakPolarHBondContact O-CB 3.26Å; D281-R285 WeakPolarHBondContact O-CG 3.5Å; D281-R285 PolarHBondContact O-N 3.28Å; D281-R285 IonicContact OD2-CZ 3.48Å; D281-R285 IonicContact OD2-NE 2.68Å; D281-R285 PolarHBondContact OD2-NE 3.21Å; D281-R285 IonicContact OD2-NH2 3.6Å; D281-R285 PolarHBondContact OD2-NH2 3.24Å
282	I	98.5	Very high	98	Very high	62 Å²	62	44 Å²	44	32%	0.318	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-48.6	176.7	-55.1	172.1	0	0	0	109.6	E279 M280 R285 H286 V304	E279-I282 PolarHBondContact O-N 2.98Å; M280-I282 VanDerWaalsContact C-N 3.35Å; I282-R285 PolarHBondContact O-N 2.54Å; I282-H286 PolarHBondContact O-N 3.2Å; I282-H286 VanDerWaalsContact O-N 3.15Å; I282-V304 HydrophobicContact CB-CG1 4.11Å; I282-V304 HydrophobicContact CB-CG2 4.29Å; I282-V304 HydrophobicContact CD1-CG1 4.2Å; I282-V304 HydrophobicContact CG2-CG1 4.32Å; I282-V304 HydrophobicContact CG2-CG2 3.59Å
283	I	98.7	Very high	98	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.036	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-45.4	176.3	-65.6	172.2	0	0	0	110.6	L238 M241 E279 R285 H286 V287 M301 V304 L305	L238-I283 HydrophobicContact CD1-CG2 4.22Å; M241-I283 HydrophobicContact CE-CD1 4.35Å; E279-I283 PolarHBondContact O-N 2.59Å; E279-I283 VanDerWaalsContact O-N 3.11Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.31Å; I283-H286 WeakPolarHBondContact O-CB 3.13Å; I283-H286 PolarHBondContact O-N 3.49Å; I283-H286 VanDerWaalsContact O-N 3.17Å; I283-V287 HydrophobicContact CG2-CG2 4.15Å; I283-V287 WeakPolarHBondContact O-CG2 3.44Å; I283-V287 PolarHBondContact O-N 3.22Å; I283-M301 HydrophobicContact CG1-CG 4.45Å; I283-M301 HydrophobicContact CG2-CG 4.43Å; I283-M301 HydrophobicContact CG2-SD 4.09Å; I283-V304 HydrophobicContact CD1-CG1 4.36Å; I283-V304 HydrophobicContact CG1-CG1 4.12Å; I283-L305 HydrophobicContact CD1-CD1 4.44Å; I283-L305 HydrophobicContact CD1-CD2 3.71Å; I283-L305 HydrophobicContact CD1-CG 4.05Å
284	R	98.5	Very high	98	Very high	30 Å²	30	49.7 Å²	49.7	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-56	-46.7	177.3	-174	-159.1	63.8	76.2	1.5	111.9	W235 L238 N269 M280 D281 H286 V287 S288	W235-R284 HydrophobicContact CH2-CG 4.27Å; W235-R284 HydrophobicContact CZ3-CG 4.31Å; L238-R284 HydrophobicContact CD2-CB 3.73Å; L238-R284 HydrophobicContact CD2-CG 3.97Å; N269-R284 PolarHBondContact ND2-NH2 3.4Å; N269-R284 PolarHBondContact OD1-NE 2.94Å; N269-R284 PolarHBondContact OD1-NH1 3.01Å; N269-R284 VanDerWaalsContact OD1-NH1 3.14Å; M280-R284 VanDerWaalsContact O-CB 3.23Å; M280-R284 WeakPolarHBondContact O-CB 3.37Å; M280-R284 PolarHBondContact O-N 2.93Å; D281-R284 PolarHBondContact O-N 3.33Å; D281-R284 IonicContact OD1-CZ 3.6Å; D281-R284 VanDerWaalsContact OD1-CZ 3.32Å; D281-R284 IonicContact OD1-NE 3.73Å; D281-R284 PolarHBondContact OD1-NE 3.33Å; D281-R284 IonicContact OD1-NH2 2.66Å; D281-R284 PolarHBondContact OD1-NH2 3.07Å; R284-H286 VanDerWaalsContact C-N 3.34Å; R284-H286 PolarHBondContact O-N 3.15Å; R284-V287 PolarHBondContact O-N 3.23Å; R284-S288 VanDerWaalsContact O-CB 3.26Å; R284-S288 WeakPolarHBondContact O-CB 3.48Å; R284-S288 PolarHBondContact O-N 3.26Å; R284-S288 PolarHBondContact O-OG 2.63Å
285	R	98.5	Very high	98	Very high	128 Å²	128	47.8 Å²	47.8	48%	0.483	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-43.1	177.8	-79.4	-174.2	-81.9	120.8	-4.9	111.7	D281 I282 I283 S289	D281-R285 WeakPolarHBondContact O-CB 3.26Å; D281-R285 WeakPolarHBondContact O-CG 3.5Å; D281-R285 PolarHBondContact O-N 3.28Å; D281-R285 IonicContact OD2-CZ 3.48Å; D281-R285 IonicContact OD2-NE 2.68Å; D281-R285 PolarHBondContact OD2-NE 3.21Å; D281-R285 IonicContact OD2-NH2 3.6Å; D281-R285 PolarHBondContact OD2-NH2 3.24Å; I282-R285 PolarHBondContact O-N 2.54Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.31Å; R285-S289 PolarHBondContact O-N 2.99Å
286	H	98.6	Very high	98.1	Very high	44 Å²	44	45 Å²	45	20%	0.204	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-56.6	174.5	176.5	65.7	0	0	0	111.1	I282 I283 R284 S288 S289 D297	I282-H286 PolarHBondContact O-N 3.2Å; I282-H286 VanDerWaalsContact O-N 3.15Å; I283-H286 WeakPolarHBondContact O-CB 3.13Å; I283-H286 PolarHBondContact O-N 3.49Å; I283-H286 VanDerWaalsContact O-N 3.17Å; R284-H286 VanDerWaalsContact C-N 3.34Å; R284-H286 PolarHBondContact O-N 3.15Å; H286-S288 VanDerWaalsContact C-N 3.27Å; H286-S288 PolarHBondContact O-N 2.89Å; H286-S289 WeakPolarHBondContact O-CB 3.36Å; H286-S289 PolarHBondContact O-N 3.34Å; H286-S289 PolarHBondContact O-OG 3.18Å; H286-D297 WeakPolarHBondContact CE1-CB 3.08Å; H286-D297 PolarHBondContact CE1-N 2.81Å; H286-D297 VanDerWaalsContact CE1-N 3.27Å; H286-D297 PolarHBondContact NE2-N 2.92Å
287	V	98.4	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-37.1	-176.9	180	0	0	0	0	111.9	F234 W235 I283 R284 S289 L290 M301	F234-V287 HydrophobicContact CB-CG1 4.25Å; F234-V287 HydrophobicContact CB-CG2 3.85Å; W235-V287 HydrophobicContact CD2-CG1 3.73Å; W235-V287 HydrophobicContact CE3-CG1 4.43Å; W235-V287 HydrophobicContact CG-CG1 3.74Å; W235-V287 HydrophobicContact CZ2-CG1 4.29Å; I283-V287 HydrophobicContact CG2-CG2 4.15Å; I283-V287 WeakPolarHBondContact O-CG2 3.44Å; I283-V287 PolarHBondContact O-N 3.22Å; R284-V287 PolarHBondContact O-N 3.23Å; V287-S289 VanDerWaalsContact C-N 3.27Å; V287-S289 PolarHBondContact O-N 3.18Å; V287-L290 PolarHBondContact O-N 3.19Å; V287-M301 HydrophobicContact CG2-SD 4.21Å
288	S	97.7	Very high	98.2	Very high	56 Å²	56	48.9 Å²	48.9	39%	0.392	26%	0.259	S	S	.	.	H	α-helix	trans	-67.2	-23.9	176.9	-55.6	0	0	0	0	113.7	W235 R284 H286 L290	W235-S288 VanDerWaalsContact CH2-OG 3.28Å; W235-S288 WeakPolarHBondContact CH2-OG 3.23Å; W235-S288 WeakPolarHBondContact CZ2-OG 3.38Å; R284-S288 VanDerWaalsContact O-CB 3.26Å; R284-S288 WeakPolarHBondContact O-CB 3.48Å; R284-S288 PolarHBondContact O-N 3.26Å; R284-S288 PolarHBondContact O-OG 2.63Å; H286-S288 VanDerWaalsContact C-N 3.27Å; H286-S288 PolarHBondContact O-N 2.89Å; S288-L290 VanDerWaalsContact C-N 3.32Å
289	S	98.2	Very high	98.3	Very high	88 Å²	88	48.9 Å²	48.9	62%	0.615	26%	0.261	S	S	*	.	H	α-helix	trans	-80.4	-14.1	178.5	74.5	0	0	0	0	113.6	R285 H286 V287	R285-S289 PolarHBondContact O-N 2.99Å; H286-S289 WeakPolarHBondContact O-CB 3.36Å; H286-S289 PolarHBondContact O-N 3.34Å; H286-S289 PolarHBondContact O-OG 3.18Å; V287-S289 VanDerWaalsContact C-N 3.27Å; V287-S289 PolarHBondContact O-N 3.18Å
290	L	98.4	Very high	98.3	Very high	22 Å²	22	49.7 Å²	49.7	12%	0.115	27%	0.269	C	S	.	.			trans	-82.2	146.7	-174.8	-57.4	175.8	0	0	0	111.7	K231 V287 S288 P296	K231-L290 HydrophobicContact CB-CB 3.71Å; K231-L290 HydrophobicContact CB-CD1 3.86Å; K231-L290 HydrophobicContact CB-CG 4.45Å; K231-L290 HydrophobicContact CD-CB 4.13Å; K231-L290 VanDerWaalsContact CD-O 3.24Å; K231-L290 WeakPolarHBondContact CD-O 3.37Å; V287-L290 PolarHBondContact O-N 3.19Å; S288-L290 VanDerWaalsContact C-N 3.32Å; L290-P296 HydrophobicContact CD1-CB 3.98Å; L290-P296 HydrophobicContact CD1-CG 4.01Å
291	N	97.7	Very high	98.3	Very high	88 Å²	88	49.9 Å²	49.9	47%	0.471	27%	0.27	S	S	.	.			trans	-111.7	-177	166.1	65.8	42.1	0	0	0	111.1	Y293 S294	N291-Y293 VanDerWaalsContact C-N 3.29Å; N291-Y293 PolarHBondContact O-N 3.25Å; N291-Y293 PolarHBondContact OD1-N 2.97Å; N291-S294 PolarHBondContact N-OG 3.34Å; N291-S294 WeakPolarHBondContact O-CB 3.41Å; N291-S294 PolarHBondContact O-N 3.35Å; N291-S294 PolarHBondContact OD1-N 2.91Å; N291-S294 PolarHBondContact OD1-OG 2.81Å
292	Y	97.7	Very high	98.3	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.114	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-41	-179.2	175.8	-104.1	0	0	0	113.8	V202 H203 P205 E227 C228	V202-Y292 HydrophobicContact CG1-CD1 4.38Å; V202-Y292 HydrophobicContact CG1-CE1 3.67Å; H203-Y292 VanDerWaalsContact O-CE1 3.23Å; H203-Y292 WeakPolarHBondContact O-CE1 3.37Å; H203-Y292 PolarHBondContact O-OH 3.44Å; H203-Y292 VanDerWaalsContact O-OH 3.07Å; P205-Y292 HydrophobicContact CB-CD1 3.99Å; P205-Y292 HydrophobicContact CB-CE1 3.85Å; P205-Y292 HydrophobicContact CB-CE2 4.46Å; P205-Y292 HydrophobicContact CB-CG 4.34Å; P205-Y292 HydrophobicContact CG-CD1 4.1Å; P205-Y292 HydrophobicContact CG-CE1 4.17Å; E227-Y292 HydrophobicContact CB-CD2 4.32Å; E227-Y292 HydrophobicContact CB-CE2 4.01Å; E227-Y292 HydrophobicContact CG-CD2 4.17Å; E227-Y292 HydrophobicContact CG-CE2 3.39Å; C228-Y292 WeakPolarHBondContact O-CE2 3.11Å
293	Y	97.9	Very high	98.3	Very high	130 Å²	130	51.6 Å²	51.6	51%	0.51	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.8	-176.7	-61.7	-73.1	0	0	0	113.4	V202 P205 R230 N291	V202-Y293 HydrophobicContact CB-CD1 4.17Å; V202-Y293 HydrophobicContact CG1-CD1 3.88Å; V202-Y293 HydrophobicContact CG1-CE1 4.28Å; P205-Y293 WeakPolarHBondContact CD-OH 3.43Å; R230-Y293 PolarHBondContact NH2-O 3.45Å; N291-Y293 VanDerWaalsContact C-N 3.29Å; N291-Y293 PolarHBondContact O-N 3.25Å; N291-Y293 PolarHBondContact OD1-N 2.97Å
294	S	97.6	Very high	98.3	Very high	28 Å²	28	52.5 Å²	52.5	20%	0.196	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.3	140.5	-174.3	-58	0	0	0	0	111.6	R230 N291	R230-S294 PolarHBondContact NE-O 2.79Å; R230-S294 PolarHBondContact NH2-O 2.93Å; N291-S294 PolarHBondContact N-OG 3.34Å; N291-S294 WeakPolarHBondContact O-CB 3.41Å; N291-S294 PolarHBondContact O-N 3.35Å; N291-S294 PolarHBondContact OD1-N 2.91Å; N291-S294 PolarHBondContact OD1-OG 2.81Å
295	C	97.6	Very high	98.3	Very high	82 Å²	82	51 Å²	51	55%	0.554	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-87.9	120.1	165.4	-165.9	0	0	0	0	107.7
296	P	98.4	Very high	98.3	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.032	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-60.2	148.1	175.1	-22.6	33.6	0	0	0	112.1	R230 F234 L290 Y298 M301	R230-P296 HydrophobicContact CB-CG 3.78Å; F234-P296 HydrophobicContact CD2-CB 3.88Å; F234-P296 HydrophobicContact CD2-CG 3.74Å; F234-P296 HydrophobicContact CE2-CB 3.78Å; F234-P296 HydrophobicContact CE2-CG 3.73Å; L290-P296 HydrophobicContact CD1-CB 3.98Å; L290-P296 HydrophobicContact CD1-CG 4.01Å; P296-Y298 VanDerWaalsContact C-N 3.3Å; P296-Y298 HydrophobicContact CB-CE1 4.25Å; P296-Y298 HydrophobicContact CB-CE2 4.34Å; P296-Y298 HydrophobicContact CG-CE1 4.39Å; P296-Y298 WeakPolarHBondContact O-CD2 3.41Å; P296-Y298 VanDerWaalsContact O-CE2 3.25Å; P296-Y298 WeakPolarHBondContact O-CE2 3.46Å; P296-Y298 PolarHBondContact O-N 2.85Å; P296-Y298 VanDerWaalsContact O-N 3.08Å; P296-M301 HydrophobicContact CB-CE 4.16Å
297	D	98.6	Very high	98.3	Very high	86 Å²	86	49.7 Å²	49.7	46%	0.46	28%	0.279	S	S	.	.			trans	-83.2	78.6	170.6	-176.3	6.6	0	0	0	109.4	H286 S299 G300 M301	H286-D297 WeakPolarHBondContact CE1-CB 3.08Å; H286-D297 PolarHBondContact CE1-N 2.81Å; H286-D297 VanDerWaalsContact CE1-N 3.27Å; H286-D297 PolarHBondContact NE2-N 2.92Å; D297-S299 VanDerWaalsContact C-N 3.32Å; D297-S299 PolarHBondContact O-N 2.96Å; D297-G300 PolarHBondContact O-N 2.89Å; D297-G300 PolarHBondContact OD1-N 3.23Å; D297-M301 WeakPolarHBondContact O-CG 3.12Å; D297-M301 PolarHBondContact O-N 3.14Å; D297-M301 VanDerWaalsContact O-N 3.11Å
298	Y	98.6	Very high	98.3	Very high	19 Å²	19	49.7 Å²	49.7	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-55.4	-47.6	-179	-55.6	-85.6	0	0	0	112	Q155 H158 F234 P296 M301 I302	Q155-Y298 HydrophobicContact CB-CD1 3.44Å; Q155-Y298 VanDerWaalsContact CB-CD1 3.44Å; Q155-Y298 HydrophobicContact CB-CE1 3.78Å; Q155-Y298 HydrophobicContact CB-CG 3.99Å; Q155-Y298 HydrophobicContact CG-CD1 3.57Å; Q155-Y298 HydrophobicContact CG-CD2 4Å; Q155-Y298 HydrophobicContact CG-CE1 3.91Å; Q155-Y298 HydrophobicContact CG-CE2 4.35Å; Q155-Y298 HydrophobicContact CG-CG 3.61Å; H158-Y298 WeakPolarHBondContact CB-OH 3.47Å; H158-Y298 AromaticContact ND1-CE1 3.61Å; H158-Y298 AromaticContact ND1-CZ 3.85Å; H158-Y298 PolarHBondContact ND1-OH 2.72Å; F234-Y298 HydrophobicContact CE1-CD1 4.48Å; F234-Y298 AromaticContact CE2-CD1 3.79Å; F234-Y298 HydrophobicContact CE2-CD1 3.79Å; F234-Y298 AromaticContact CE2-CE1 3.35Å; F234-Y298 HydrophobicContact CE2-CE1 3.35Å; F234-Y298 AromaticContact CZ-CD1 3.42Å; F234-Y298 HydrophobicContact CZ-CD1 3.42Å; F234-Y298 VanDerWaalsContact CZ-CD1 3.42Å; F234-Y298 AromaticContact CZ-CE1 3.38Å; F234-Y298 HydrophobicContact CZ-CE1 3.38Å; P296-Y298 VanDerWaalsContact C-N 3.3Å; P296-Y298 HydrophobicContact CB-CE1 4.25Å; P296-Y298 HydrophobicContact CB-CE2 4.34Å; P296-Y298 HydrophobicContact CG-CE1 4.39Å; P296-Y298 WeakPolarHBondContact O-CD2 3.41Å; P296-Y298 VanDerWaalsContact O-CE2 3.25Å; P296-Y298 WeakPolarHBondContact O-CE2 3.46Å; P296-Y298 PolarHBondContact O-N 2.85Å; P296-Y298 VanDerWaalsContact O-N 3.08Å; Y298-M301 PolarHBondContact O-N 3.27Å; Y298-I302 WeakPolarHBondContact O-CG1 3.42Å; Y298-I302 PolarHBondContact O-N 2.68Å; Y298-I302 VanDerWaalsContact O-N 3.11Å
299	S	98.6	Very high	98.3	Very high	80 Å²	80	47.1 Å²	47.1	56%	0.559	26%	0.262	S	S	*	.	H	α-helix	trans	-66.4	-42.5	-177.8	-62.3	0	0	0	0	111.6	D297 M301 I302 E303	D297-S299 VanDerWaalsContact C-N 3.32Å; D297-S299 PolarHBondContact O-N 2.96Å; S299-M301 VanDerWaalsContact C-N 3.33Å; S299-M301 PolarHBondContact O-N 2.74Å; S299-I302 PolarHBondContact O-N 2.72Å; S299-E303 WeakPolarHBondContact O-CB 3.28Å; S299-E303 PolarHBondContact O-N 2.68Å
300	G	98.6	Very high	98.3	Very high	17 Å²	17	51.2 Å²	51.2	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-39.1	175.6	0	0	0	0	0	112.9	D297 E303 V304	D297-G300 PolarHBondContact O-N 2.89Å; D297-G300 PolarHBondContact OD1-N 3.23Å; G300-E303 PolarHBondContact O-N 2.8Å; G300-V304 VanDerWaalsContact O-CG2 3.31Å; G300-V304 WeakPolarHBondContact O-CG2 3.31Å; G300-V304 PolarHBondContact O-N 2.69Å; G300-V304 VanDerWaalsContact O-N 3.08Å
301	M	98.8	Very high	98.3	Very high	4 Å²	4	57 Å²	57	2%	0.02	29%	0.288	C	S	.	.	H	α-helix	trans	-65.4	-39.6	174.5	-69.3	-174.3	-71.4	0	0	112.5	I151 F234 I283 V287 P296 D297 Y298 S299 L305	I151-M301 HydrophobicContact CD1-CB 3.81Å; I151-M301 HydrophobicContact CG2-CE 4.49Å; F234-M301 HydrophobicContact CD1-CE 3.64Å; F234-M301 HydrophobicContact CD1-SD 4.03Å; F234-M301 HydrophobicContact CD2-CE 4.14Å; F234-M301 HydrophobicContact CE1-CE 3.6Å; F234-M301 HydrophobicContact CE1-SD 4.48Å; F234-M301 HydrophobicContact CE2-CE 4.09Å; F234-M301 HydrophobicContact CG-CE 3.94Å; F234-M301 HydrophobicContact CG-SD 4.35Å; F234-M301 HydrophobicContact CZ-CE 3.85Å; I283-M301 HydrophobicContact CG1-CG 4.45Å; I283-M301 HydrophobicContact CG2-CG 4.43Å; I283-M301 HydrophobicContact CG2-SD 4.09Å; V287-M301 HydrophobicContact CG2-SD 4.21Å; P296-M301 HydrophobicContact CB-CE 4.16Å; D297-M301 WeakPolarHBondContact O-CG 3.12Å; D297-M301 PolarHBondContact O-N 3.14Å; D297-M301 VanDerWaalsContact O-N 3.11Å; Y298-M301 PolarHBondContact O-N 3.27Å; S299-M301 VanDerWaalsContact C-N 3.33Å; S299-M301 PolarHBondContact O-N 2.74Å; M301-L305 WeakPolarHBondContact O-CG 3.26Å; M301-L305 PolarHBondContact O-N 2.88Å
302	I	98.7	Very high	98.2	Very high	16 Å²	16	56.4 Å²	56.4	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-46.6	174.7	-69.7	168.2	0	0	0	110.4	I148 I151 E152 Y298 S299 V304 L305 E306	I148-I302 HydrophobicContact CG1-CG2 4.44Å; I148-I302 HydrophobicContact CG2-CG2 4.34Å; I151-I302 HydrophobicContact CB-CG1 4.16Å; I151-I302 HydrophobicContact CD1-CG1 4.38Å; I151-I302 HydrophobicContact CG2-CD1 3.99Å; I151-I302 HydrophobicContact CG2-CG1 3.76Å; E152-I302 HydrophobicContact CG-CD1 3.68Å; Y298-I302 WeakPolarHBondContact O-CG1 3.42Å; Y298-I302 PolarHBondContact O-N 2.68Å; Y298-I302 VanDerWaalsContact O-N 3.11Å; S299-I302 PolarHBondContact O-N 2.72Å; I302-V304 VanDerWaalsContact C-N 3.3Å; I302-V304 PolarHBondContact O-N 2.88Å; I302-L305 PolarHBondContact O-N 3.39Å; I302-E306 HydrophobicContact CG2-CG 4.17Å; I302-E306 WeakPolarHBondContact O-CG 3.29Å; I302-E306 PolarHBondContact O-N 2.89Å
303	E	98.7	Very high	98.2	Very high	125 Å²	125	58.6 Å²	58.6	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-58.5	-41.4	179.9	-176	178.6	-178.2	0	0	111.7	S299 G300 L305 E306 V307	S299-E303 WeakPolarHBondContact O-CB 3.28Å; S299-E303 PolarHBondContact O-N 2.68Å; G300-E303 PolarHBondContact O-N 2.8Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 3.41Å; E303-E306 PolarHBondContact O-N 2.66Å; E303-V307 HydrophobicContact CG-CG2 4.32Å; E303-V307 WeakPolarHBondContact O-CB 3.2Å; E303-V307 VanDerWaalsContact O-CG2 3.32Å; E303-V307 WeakPolarHBondContact O-CG2 3.45Å; E303-V307 PolarHBondContact O-N 2.89Å
304	V	98.7	Very high	98.2	Very high	25 Å²	25	53 Å²	53	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-55.9	-43.5	175.1	167.4	0	0	0	0	111.6	E279 I282 I283 G300 I302 G308	E279-V304 HydrophobicContact CB-CG1 3.74Å; E279-V304 HydrophobicContact CG-CG1 3.97Å; I282-V304 HydrophobicContact CB-CG1 4.11Å; I282-V304 HydrophobicContact CB-CG2 4.29Å; I282-V304 HydrophobicContact CD1-CG1 4.2Å; I282-V304 HydrophobicContact CG2-CG1 4.32Å; I282-V304 HydrophobicContact CG2-CG2 3.59Å; I283-V304 HydrophobicContact CD1-CG1 4.36Å; I283-V304 HydrophobicContact CG1-CG1 4.12Å; G300-V304 VanDerWaalsContact O-CG2 3.31Å; G300-V304 WeakPolarHBondContact O-CG2 3.31Å; G300-V304 PolarHBondContact O-N 2.69Å; G300-V304 VanDerWaalsContact O-N 3.08Å; I302-V304 VanDerWaalsContact C-N 3.3Å; I302-V304 PolarHBondContact O-N 2.88Å; V304-G308 PolarHBondContact O-N 3.29Å
305	L	98.7	Very high	98.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-72.3	-39.3	179.7	-61.2	177.9	0	0	0	111.9	F144 I148 I151 M241 I283 M301 I302 E303 G308 L309	F144-L305 HydrophobicContact CB-CB 4.31Å; F144-L305 HydrophobicContact CB-CD2 4.44Å; F144-L305 HydrophobicContact CD1-CD2 3.79Å; F144-L305 HydrophobicContact CE1-CD2 4.32Å; F144-L305 HydrophobicContact CG-CD2 4.14Å; I148-L305 HydrophobicContact CD1-CB 4.05Å; I148-L305 HydrophobicContact CG1-CB 3.77Å; I148-L305 HydrophobicContact CG1-CD1 3.83Å; I148-L305 HydrophobicContact CG1-CG 4.47Å; I151-L305 HydrophobicContact CD1-CD1 3.7Å; M241-L305 HydrophobicContact CE-CD1 3.76Å; M241-L305 HydrophobicContact CE-CD2 3.44Å; M241-L305 VanDerWaalsContact CE-CD2 3.44Å; M241-L305 HydrophobicContact CE-CG 4.24Å; I283-L305 HydrophobicContact CD1-CD1 4.44Å; I283-L305 HydrophobicContact CD1-CD2 3.71Å; I283-L305 HydrophobicContact CD1-CG 4.05Å; M301-L305 WeakPolarHBondContact O-CG 3.26Å; M301-L305 PolarHBondContact O-N 2.88Å; I302-L305 PolarHBondContact O-N 3.39Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 3.41Å; L305-G308 CarbonylContact O-C 3.56Å; L305-G308 WeakPolarHBondContact O-CA 3.42Å; L305-G308 PolarHBondContact O-N 3.02Å; L305-G308 VanDerWaalsContact O-N 3.16Å; L305-L309 WeakPolarHBondContact O-CG 3.36Å; L305-L309 PolarHBondContact O-N 3.25Å
306	E	98.5	Very high	98	Very high	75 Å²	75	56.4 Å²	56.4	35%	0.35	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-41.7	176.7	-70.5	-177.4	157.6	0	0	112.5	I148 I302 E303 G308 L309 K310 R316	I148-E306 HydrophobicContact CD1-CG 3.84Å; I302-E306 HydrophobicContact CG2-CG 4.17Å; I302-E306 WeakPolarHBondContact O-CG 3.29Å; I302-E306 PolarHBondContact O-N 2.89Å; E303-E306 PolarHBondContact O-N 2.66Å; E306-G308 VanDerWaalsContact C-N 3.26Å; E306-G308 PolarHBondContact O-N 3.14Å; E306-L309 WeakPolarHBondContact O-CB 3.48Å; E306-L309 PolarHBondContact O-N 3.29Å; E306-K310 PolarHBondContact O-N 3.31Å; E306-R316 IonicContact OE1-CZ 3.4Å; E306-R316 IonicContact OE1-NE 2.97Å; E306-R316 PolarHBondContact OE1-NE 3.34Å; E306-R316 IonicContact OE1-NH2 3.2Å; E306-R316 PolarHBondContact OE1-NH2 3.24Å
307	V	98.3	Very high	97.7	Very high	68 Å²	68	62.3 Å²	62.3	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-39.5	171.2	170.4	0	0	0	0	110.3	E303 K310 R311	E303-V307 HydrophobicContact CG-CG2 4.32Å; E303-V307 WeakPolarHBondContact O-CB 3.2Å; E303-V307 VanDerWaalsContact O-CG2 3.32Å; E303-V307 WeakPolarHBondContact O-CG2 3.45Å; E303-V307 PolarHBondContact O-N 2.89Å; V307-K310 PolarHBondContact O-N 3.37Å; V307-R311 WeakPolarHBondContact O-CG 3.4Å; V307-R311 PolarHBondContact O-N 2.88Å
308	G	98.4	Very high	97.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-40.5	174.7	0	0	0	0	0	114.2	F144 E279 V304 L305 E306 R312	F144-G308 VanDerWaalsContact CE2-C 3.46Å; E279-G308 WeakPolarHBondContact OE1-CA 3.29Å; V304-G308 PolarHBondContact O-N 3.29Å; L305-G308 CarbonylContact O-C 3.56Å; L305-G308 WeakPolarHBondContact O-CA 3.42Å; L305-G308 PolarHBondContact O-N 3.02Å; L305-G308 VanDerWaalsContact O-N 3.16Å; E306-G308 VanDerWaalsContact C-N 3.26Å; E306-G308 PolarHBondContact O-N 3.14Å; G308-R312 PolarHBondContact O-N 2.95Å; G308-R312 PolarHBondContact O-NH1 3.19Å
309	L	98.4	Very high	97.2	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-49.9	173.2	-74.7	171	0	0	0	110.5	T141 F144 L145 I148 L305 E306 R311 R312 G313 A314	T141-L309 HydrophobicContact CG2-CD2 4Å; F144-L309 HydrophobicContact CB-CD1 4.4Å; F144-L309 HydrophobicContact CB-CD2 3.79Å; F144-L309 HydrophobicContact CB-CG 3.84Å; F144-L309 HydrophobicContact CD2-CD2 4.12Å; F144-L309 HydrophobicContact CD2-CG 4.02Å; F144-L309 HydrophobicContact CG-CD2 4.48Å; F144-L309 HydrophobicContact CG-CG 4.48Å; L145-L309 HydrophobicContact CD2-CD1 3.73Å; L145-L309 HydrophobicContact CD2-CD2 4.33Å; L145-L309 HydrophobicContact CG-CD1 4.38Å; L145-L309 HydrophobicContact CG-CD2 4.2Å; I148-L309 HydrophobicContact CD1-CD1 3.83Å; L305-L309 WeakPolarHBondContact O-CG 3.36Å; L305-L309 PolarHBondContact O-N 3.25Å; E306-L309 WeakPolarHBondContact O-CB 3.48Å; E306-L309 PolarHBondContact O-N 3.29Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.47Å; L309-R312 CarbonylContact O-C 3.59Å; L309-R312 WeakPolarHBondContact O-CA 3.21Å; L309-R312 PolarHBondContact O-N 3.05Å; L309-G313 PolarHBondContact O-N 3.42Å; L309-A314 CarbonylContact C-O 3.51Å; L309-A314 VanDerWaalsContact C-O 3.31Å; L309-A314 HydrophobicContact CB-CB 4.27Å; L309-A314 HydrophobicContact CD2-CB 3.86Å; L309-A314 PolarHBondContact O-N 3.46Å
310	K	98.1	Very high	97	Very high	173 Å²	173	59.8 Å²	59.8	75%	0.752	30%	0.301	S	S	*	.	H	α-helix	trans	-58.7	-41.5	-179.4	-174.5	178.3	179.1	-179.9	0	112.2	E306 V307 R312 G313	E306-K310 PolarHBondContact O-N 3.31Å; V307-K310 PolarHBondContact O-N 3.37Å; K310-R312 PolarHBondContact O-N 3.16Å; K310-G313 PolarHBondContact O-N 3.27Å
311	R	97.4	Very high	96.8	Very high	144 Å²	144	60.3 Å²	60.3	54%	0.543	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-24.8	175.5	-79.3	-171.8	-73.7	-176.8	-8.4	113.5	E279 V307 L309	E279-R311 IonicContact OE1-CZ 3.05Å; E279-R311 IonicContact OE1-NE 2.68Å; E279-R311 PolarHBondContact OE1-NE 3.07Å; E279-R311 IonicContact OE1-NH2 2.81Å; E279-R311 PolarHBondContact OE1-NH2 3.25Å; E279-R311 IonicContact OE2-NH2 3.84Å; V307-R311 WeakPolarHBondContact O-CG 3.4Å; V307-R311 PolarHBondContact O-N 2.88Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.47Å
312	R	96.4	Very high	96.4	Very high	75 Å²	75	61.7 Å²	61.7	28%	0.283	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	9.2	179.5	-67.9	166	176.8	81.2	-5.9	113	E140 E279 G308 L309 K310 A314	E140-R312 VanDerWaalsContact CD-NE 3.32Å; E140-R312 IonicContact OE1-CZ 2.61Å; E140-R312 IonicContact OE1-NE 2.72Å; E140-R312 IonicContact OE1-NH2 2.64Å; E140-R312 PolarHBondContact OE1-NH2 3.33Å; E140-R312 IonicContact OE2-CZ 3.55Å; E140-R312 IonicContact OE2-NE 3.59Å; E140-R312 PolarHBondContact OE2-NE 3.07Å; E140-R312 IonicContact OE2-NH2 3.27Å; E140-R312 PolarHBondContact OE2-NH2 3.25Å; E279-R312 IonicContact OE1-CZ 2.92Å; E279-R312 IonicContact OE1-NH1 2.72Å; E279-R312 PolarHBondContact OE1-NH1 3.3Å; E279-R312 IonicContact OE2-NH1 3.58Å; E279-R312 IonicContact OE2-NH2 3.17Å; G308-R312 PolarHBondContact O-N 2.95Å; G308-R312 PolarHBondContact O-NH1 3.19Å; L309-R312 CarbonylContact O-C 3.59Å; L309-R312 WeakPolarHBondContact O-CA 3.21Å; L309-R312 PolarHBondContact O-N 3.05Å; K310-R312 PolarHBondContact O-N 3.16Å; R312-A314 PolarHBondContact O-N 2.96Å
313	G	97.3	Very high	95.9	Very high	75 Å²	75	62.3 Å²	62.3	77%	0.773	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	19.1	-175.8	0	0	0	0	0	113.7	L309 K310	L309-G313 PolarHBondContact O-N 3.42Å; K310-G313 PolarHBondContact O-N 3.27Å
314	A	97.3	Very high	95.2	Very high	12 Å²	12	61.1 Å²	61.1	10%	0.099	31%	0.305	C	S	.	.			trans	-105.5	165	179.6	0	0	0	0	0	111.8	T141 L309 R312 S318	T141-A314 HydrophobicContact CG2-CB 3.79Å; L309-A314 CarbonylContact C-O 3.51Å; L309-A314 VanDerWaalsContact C-O 3.31Å; L309-A314 HydrophobicContact CB-CB 4.27Å; L309-A314 HydrophobicContact CD2-CB 3.86Å; L309-A314 PolarHBondContact O-N 3.46Å; R312-A314 PolarHBondContact O-N 2.96Å; A314-S318 WeakPolarHBondContact CA-OG 3.45Å; A314-S318 WeakPolarHBondContact CB-OG 3.41Å
315	N	96.1	Very high	93.6	Very high	81 Å²	81	64.5 Å²	64.5	43%	0.433	33%	0.329	S	S	.	.			trans	-148.2	179.4	175.4	59.5	44.1	0	0	0	110.2	Q317 S318	N315-Q317 PolarHBondContact O-N 3.02Å; N315-Q317 VanDerWaalsContact OD1-CA 3.31Å; N315-Q317 WeakPolarHBondContact OD1-CA 3.48Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.29Å; N315-Q317 PolarHBondContact OD1-N 2.89Å; N315-Q317 PolarHBondContact OD1-OE1 2.94Å; N315-S318 PolarHBondContact N-OG 2.99Å; N315-S318 VanDerWaalsContact O-CB 3.31Å; N315-S318 WeakPolarHBondContact O-CB 3.17Å; N315-S318 PolarHBondContact O-N 2.71Å; N315-S318 PolarHBondContact O-OG 3.28Å; N315-S318 PolarHBondContact OD1-N 3.39Å; N315-S318 VanDerWaalsContact OD1-N 3.16Å
316	R	94.5	Very high	91.5	Very high	101 Å²	101	69.1 Å²	69.1	38%	0.381	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.1	178.9	-72.1	-169.7	177.6	-138.7	5.5	114.3	E152 E306	E152-R316 IonicContact OE1-CZ 2.76Å; E152-R316 IonicContact OE1-NH1 2.76Å; E152-R316 PolarHBondContact OE1-NH1 3.05Å; E152-R316 IonicContact OE1-NH2 2.83Å; E152-R316 PolarHBondContact OE1-NH2 3.04Å; E152-R316 IonicContact OE2-NH1 3.48Å; E306-R316 IonicContact OE1-CZ 3.4Å; E306-R316 IonicContact OE1-NE 2.97Å; E306-R316 PolarHBondContact OE1-NE 3.34Å; E306-R316 IonicContact OE1-NH2 3.2Å; E306-R316 PolarHBondContact OE1-NH2 3.24Å
317	Q	93.3	Very high	88.6	Confident	130 Å²	130	73.8 Å²	73.8	61%	0.607	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-2.9	177.8	-64.3	71.8	35.5	0	0	113.3	R182 N315	R182-Q317 PolarHBondContact NH1-O 3.43Å; N315-Q317 PolarHBondContact O-N 3.02Å; N315-Q317 VanDerWaalsContact OD1-CA 3.31Å; N315-Q317 WeakPolarHBondContact OD1-CA 3.48Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.29Å; N315-Q317 PolarHBondContact OD1-N 2.89Å; N315-Q317 PolarHBondContact OD1-OE1 2.94Å
318	S	94	Very high	88.1	Confident	29 Å²	29	74.1 Å²	74.1	20%	0.203	39%	0.388	C	S	.	.	S	Bend	trans	-58.6	146.9	174.3	-65.1	0	0	0	0	111.4	A314 N315	A314-S318 WeakPolarHBondContact CA-OG 3.45Å; A314-S318 WeakPolarHBondContact CB-OG 3.41Å; N315-S318 PolarHBondContact N-OG 2.99Å; N315-S318 VanDerWaalsContact O-CB 3.31Å; N315-S318 WeakPolarHBondContact O-CB 3.17Å; N315-S318 PolarHBondContact O-N 2.71Å; N315-S318 PolarHBondContact O-OG 3.28Å; N315-S318 PolarHBondContact OD1-N 3.39Å; N315-S318 VanDerWaalsContact OD1-N 3.16Å
319	K	93	Very high	87.6	Confident	93 Å²	93	78 Å²	78	40%	0.404	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68.4	138.1	179.3	-71.5	-173.6	174.8	-176.4	0	110.7	E323 L324 D327	K319-E323 WeakPolarHBondContact CA-OE2 3.36Å; K319-E323 HydrophobicContact CB-CB 4.22Å; K319-E323 HydrophobicContact CG-CB 4.48Å; K319-L324 HydrophobicContact CB-CD2 3.78Å; K319-L324 HydrophobicContact CB-CG 4.2Å; K319-L324 HydrophobicContact CD-CD2 3.63Å; K319-L324 HydrophobicContact CG-CD2 4.35Å; K319-D327 IonicContact NZ-OD2 2.76Å; K319-D327 PolarHBondContact NZ-OD2 3.4Å
320	L	93.8	Very high	87	Confident	10 Å²	10	82.2 Å²	82.2	5%	0.052	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-78.5	159.3	170.8	-62.6	155.2	0	0	0	110	T142 L145 I146 R182 W322 E323 L324	T142-L320 HydrophobicContact CG2-CD2 4.02Å; T142-L320 WeakPolarHBondContact OG1-CA 3.41Å; L145-L320 HydrophobicContact CB-CD2 3.8Å; L145-L320 HydrophobicContact CD1-CD2 3.73Å; L145-L320 HydrophobicContact CD1-CG 4.31Å; L145-L320 HydrophobicContact CG-CD2 4.42Å; I146-L320 HydrophobicContact CG2-CD2 4.39Å; R182-L320 HydrophobicContact CG-CD1 4.37Å; L320-W322 HydrophobicContact CB-CD2 4Å; L320-W322 HydrophobicContact CB-CE3 4.32Å; L320-W322 HydrophobicContact CB-CH2 4.23Å; L320-W322 HydrophobicContact CB-CZ2 3.92Å; L320-W322 HydrophobicContact CB-CZ3 4.42Å; L320-W322 HydrophobicContact CD1-CH2 4.25Å; L320-W322 HydrophobicContact CD1-CZ2 3.52Å; L320-W322 HydrophobicContact CD2-CH2 4.07Å; L320-W322 HydrophobicContact CD2-CZ2 4.18Å; L320-W322 HydrophobicContact CG-CH2 4.41Å; L320-W322 HydrophobicContact CG-CZ2 4.06Å; L320-W322 PolarHBondContact O-N 3.21Å; L320-W322 VanDerWaalsContact O-N 3.15Å; L320-E323 HydrophobicContact CB-CG 4.24Å; L320-E323 PolarHBondContact N-OE2 3.28Å; L320-E323 WeakPolarHBondContact O-CB 3.39Å; L320-E323 PolarHBondContact O-N 3.02Å; L320-L324 PolarHBondContact O-N 3.01Å
321	D	93.8	Very high	86.4	Confident	27 Å²	27	76.8 Å²	76.8	14%	0.144	41%	0.411	C	S	.	.	H	α-helix	trans	-56.8	-36.2	-174.8	-77.5	22.8	0	0	0	113.2	N133 F138 S139 T142 E323 L324	N133-D321 PolarHBondContact ND2-OD2 2.72Å; N133-D321 VanDerWaalsContact ND2-OD2 3.11Å; F138-D321 WeakPolarHBondContact CA-OD2 3.32Å; F138-D321 HydrophobicContact CD1-CB 4.03Å; S139-D321 VanDerWaalsContact CB-OD1 3.25Å; S139-D321 WeakPolarHBondContact CB-OD1 3.44Å; S139-D321 PolarHBondContact N-OD1 3.17Å; S139-D321 PolarHBondContact N-OD2 2.72Å; S139-D321 PolarHBondContact OG-OD1 3.24Å; T142-D321 WeakPolarHBondContact CB-OD1 3.34Å; T142-D321 HydrophobicContact CG2-CB 4.45Å; T142-D321 VanDerWaalsContact OG1-CG 3.32Å; T142-D321 PolarHBondContact OG1-N 3.2Å; T142-D321 PolarHBondContact OG1-OD1 2.88Å; D321-E323 VanDerWaalsContact C-N 3.34Å; D321-L324 PolarHBondContact O-N 3.4Å
322	W	90.4	Very high	85.7	Confident	33 Å²	33	72.6 Å²	72.6	13%	0.125	40%	0.403	C	S	.	.	H	α-helix	trans	-81.1	-11.4	178.3	56.5	85.3	0	0	0	114	L126 L129 F138 T142 I146 V174 L320 S325 S326	L126-W322 HydrophobicContact CD2-CH2 4.08Å; L129-W322 HydrophobicContact CB-CE3 4.23Å; L129-W322 HydrophobicContact CD1-CD2 3.87Å; L129-W322 HydrophobicContact CD1-CE3 3.93Å; L129-W322 HydrophobicContact CD1-CG 4.45Å; L129-W322 HydrophobicContact CD1-CH2 4.07Å; L129-W322 HydrophobicContact CD1-CZ2 4Å; L129-W322 HydrophobicContact CD1-CZ3 4.04Å; L129-W322 HydrophobicContact CD2-CB 3.8Å; L129-W322 HydrophobicContact CD2-CD2 4Å; L129-W322 HydrophobicContact CD2-CE3 4.3Å; L129-W322 HydrophobicContact CD2-CG 3.81Å; L129-W322 HydrophobicContact CG-CD2 4.42Å; L129-W322 HydrophobicContact CG-CE3 4.39Å; F138-W322 HydrophobicContact CD1-CZ3 4.42Å; F138-W322 AromaticContact CE1-CE3 3.94Å; F138-W322 HydrophobicContact CE1-CE3 3.94Å; F138-W322 AromaticContact CE1-CZ3 3.92Å; F138-W322 HydrophobicContact CE1-CZ3 3.92Å; F138-W322 HydrophobicContact CE2-CZ3 4.15Å; F138-W322 HydrophobicContact CZ-CE3 4.14Å; F138-W322 AromaticContact CZ-CZ3 3.76Å; F138-W322 HydrophobicContact CZ-CZ3 3.76Å; T142-W322 HydrophobicContact CG2-CE3 4.32Å; T142-W322 HydrophobicContact CG2-CH2 4.1Å; T142-W322 HydrophobicContact CG2-CZ3 3.55Å; I146-W322 HydrophobicContact CG2-CH2 3.73Å; I146-W322 HydrophobicContact CG2-CZ3 4.49Å; V174-W322 HydrophobicContact CG1-CZ2 3.78Å; L320-W322 HydrophobicContact CB-CD2 4Å; L320-W322 HydrophobicContact CB-CE3 4.32Å; L320-W322 HydrophobicContact CB-CH2 4.23Å; L320-W322 HydrophobicContact CB-CZ2 3.92Å; L320-W322 HydrophobicContact CB-CZ3 4.42Å; L320-W322 HydrophobicContact CD1-CH2 4.25Å; L320-W322 HydrophobicContact CD1-CZ2 3.52Å; L320-W322 HydrophobicContact CD2-CH2 4.07Å; L320-W322 HydrophobicContact CD2-CZ2 4.18Å; L320-W322 HydrophobicContact CG-CH2 4.41Å; L320-W322 HydrophobicContact CG-CZ2 4.06Å; L320-W322 PolarHBondContact O-N 3.21Å; L320-W322 VanDerWaalsContact O-N 3.15Å; W322-S325 PolarHBondContact O-OG 3.46Å; W322-S326 PolarHBondContact O-OG 2.92Å
323	E	88.9	Confident	85	Confident	30 Å²	30	72.5 Å²	72.5	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-81.1	-24.6	169.3	-64.6	-179	95.5	0	0	111.3	R182 K319 L320 D321	R182-E323 IonicContact CZ-OE1 2.82Å; R182-E323 IonicContact CZ-OE2 2.72Å; R182-E323 IonicContact NE-OE1 2.64Å; R182-E323 PolarHBondContact NE-OE1 3.5Å; R182-E323 IonicContact NE-OE2 3.87Å; R182-E323 PolarHBondContact NE-OE2 3.14Å; R182-E323 IonicContact NH2-OE1 3.49Å; R182-E323 PolarHBondContact NH2-OE1 3.09Å; R182-E323 IonicContact NH2-OE2 3.64Å; R182-E323 PolarHBondContact NH2-OE2 2.85Å; K319-E323 WeakPolarHBondContact CA-OE2 3.36Å; K319-E323 HydrophobicContact CB-CB 4.22Å; K319-E323 HydrophobicContact CG-CB 4.48Å; L320-E323 HydrophobicContact CB-CG 4.24Å; L320-E323 PolarHBondContact N-OE2 3.28Å; L320-E323 WeakPolarHBondContact O-CB 3.39Å; L320-E323 PolarHBondContact O-N 3.02Å; D321-E323 VanDerWaalsContact C-N 3.34Å
324	L	83.4	Confident	84.1	Confident	100 Å²	100	72.3 Å²	72.3	52%	0.524	39%	0.385	S	S	.	.	H	α-helix	trans	-79.6	-23.2	-179.1	-62.7	174	0	0	0	113.3	K319 L320 D321 S326	K319-L324 HydrophobicContact CB-CD2 3.78Å; K319-L324 HydrophobicContact CB-CG 4.2Å; K319-L324 HydrophobicContact CD-CD2 3.63Å; K319-L324 HydrophobicContact CG-CD2 4.35Å; L320-L324 PolarHBondContact O-N 3.01Å; D321-L324 PolarHBondContact O-N 3.4Å; L324-S326 VanDerWaalsContact C-N 3.27Å
325	S	65.5	Low	83.1	Confident	95 Å²	95	76.9 Å²	76.9	66%	0.664	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.3	178.1	54.8	0	0	0	0	113.9	W322	W322-S325 PolarHBondContact O-OG 3.46Å
326	S	55	Low	82	Confident	97 Å²	97	76.6 Å²	76.6	68%	0.678	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	3.2	-176.1	-51.2	0	0	0	0	113.4	W322 L324	W322-S326 PolarHBondContact O-OG 2.92Å; L324-S326 VanDerWaalsContact C-N 3.27Å
327	D	38	Very low	80.8	Confident	174 Å²	174	74.4 Å²	74.4	93%	0.93	41%	0.407	S	S	*	.			trans	-103.5	0	172.4	-68.3	-32.9	0	0	0	110.2	K319	K319-D327 IonicContact NZ-OD2 2.76Å; K319-D327 PolarHBondContact NZ-OD2 3.4Å

Retrieved 327 of 327 residues in 202.3 ms (Link to these results)

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