A0A087XS41_POEFO Loading...

C-terminal binding protein 1

AlphaFold DB (A0A3B3VG19), UniProt , Accession A0A087XS41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	35.7	Very low	243 Å²	243	168.5 Å²	168.5	100%	1.197	86%	0.862	S	S	*	*				0	87.2	0	-84.3	171.8	140.6	0	0	106.8
2	A	33.3	Very low	35.7	Very low	100 Å²	100	173.5 Å²	173.5	83%	0.826	86%	0.862	S	S	*	*				87.9	146.7	89.2	0	0	0	0	0	111.6
3	L	30.4	Very low	35.6	Very low	146 Å²	146	174.6 Å²	174.6	76%	0.764	86%	0.863	S	S	*	*			cis	-177.8	134.7	-33.1	-168.4	86.4	0	0	0	103.3
4	M	32.2	Very low	35.5	Very low	160 Å²	160	177.7 Å²	177.7	79%	0.788	86%	0.86	S	S	*	*			trans	62.6	152.2	158.1	-78.2	144.2	93.5	0	0	118
5	D	30.5	Very low	35.2	Very low	136 Å²	136	175.5 Å²	175.5	73%	0.727	85%	0.853	S	S	*	*			cis	-155.2	145.9	20.3	-158.3	-5.2	0	0	0	111.5
6	K	40.1	Very low	35	Very low	191 Å²	191	173.7 Å²	173.7	83%	0.83	85%	0.849	S	S	*	*			trans	-114.3	114.7	171.1	-82.9	-177.8	175.9	178.6	0	107.2
7	T	36.8	Very low	35.3	Very low	130 Å²	130	175.7 Å²	175.7	80%	0.798	85%	0.845	S	S	*	*			trans	166.3	122.5	138.6	23.1	0	0	0	0	111.1
8	K	34.1	Very low	35.5	Very low	209 Å²	209	173.8 Å²	173.8	91%	0.909	84%	0.839	S	S	*	*			trans	-178	70.2	147.8	-103.3	168.5	-172.7	179	0	111.3
9	H	42.9	Very low	35.5	Very low	188 Å²	188	170.4 Å²	170.4	87%	0.87	83%	0.833	S	S	*	*			trans	-123.9	149	150.9	-86.8	-23.2	0	0	0	107.2
10	V	42.2	Very low	35.5	Very low	144 Å²	144	171.2 Å²	171.2	87%	0.873	84%	0.835	S	S	*	*	S	Bend	trans	83.4	69.5	-173	-160.8	0	0	0	0	114.8
11	K	35.6	Very low	35.6	Very low	206 Å²	206	166.6 Å²	166.6	90%	0.896	83%	0.832	S	S	*	*			trans	-163.1	41.1	154.4	-114.8	177.5	-170.7	-174.5	0	113.9
12	R	35.8	Very low	36.3	Very low	229 Å²	229	161.2 Å²	161.2	86%	0.864	81%	0.807	S	S	*	*	S	Bend	trans	-130.6	-0.9	173.4	-140	176.2	-175.2	177.8	0.8	115.5
13	Q	34.4	Very low	36.9	Very low	188 Å²	188	161.1 Å²	161.1	88%	0.879	79%	0.785	S	S	*	*	S	Bend	trans	-101.6	3.5	179.1	-96	178.4	-16.7	0	0	114.5
14	R	33.9	Very low	37.3	Very low	218 Å²	218	159.6 Å²	159.6	82%	0.823	78%	0.784	S	S	*	*	S	Bend	trans	-114.9	-1.7	-173.6	-143.6	177.7	-178.8	-178.7	-0.5	114.8
15	L	31.3	Very low	38.1	Very low	144 Å²	144	157.6 Å²	157.6	75%	0.754	78%	0.783	S	S	*	*	S	Bend	trans	-96	-17.6	175.1	-100.2	100.6	0	0	0	113.8	R17	L15-R17 PolarHBondContact O-N 2.7Å
16	D	32.5	Very low	39.1	Very low	147 Å²	147	157.6 Å²	157.6	79%	0.786	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	2.4	178	-64.5	-24.4	0	0	0	113.5
17	R	38.9	Very low	38.9	Very low	208 Å²	208	155.6 Å²	155.6	79%	0.785	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	10.1	-177.6	-85.2	-169.7	179.7	-170.3	0	115.2	L15	L15-R17 PolarHBondContact O-N 2.7Å
18	I	39.4	Very low	39.3	Very low	142 Å²	142	157.5 Å²	157.5	73%	0.728	78%	0.784	S	S	*	*	S	Bend	trans	-116.8	13.8	-176.8	-58.7	177.6	0	0	0	112.2
19	C	35.2	Very low	39.5	Very low	109 Å²	109	149.5 Å²	149.5	74%	0.736	76%	0.762	S	S	*	*			trans	-126.9	41.3	175.5	-65	0	0	0	0	113.3	G21	C19-G21 VanDerWaalsContact C-N 3.33Å
20	E	35.4	Very low	39.5	Very low	186 Å²	186	146.9 Å²	146.9	87%	0.869	76%	0.761	S	S	*	*	S	Bend	trans	-83.5	-3.8	172.8	-78.3	-175.9	164.4	0	0	113.9
21	G	38.7	Very low	39.5	Very low	75 Å²	75	148.6 Å²	148.6	77%	0.773	76%	0.762	S	S	*	*	S	Bend	trans	-101.6	-5	-175.9	0	0	0	0	0	116.9	C19	C19-G21 VanDerWaalsContact C-N 3.33Å
22	I	49	Very low	40.3	Very low	130 Å²	130	143.9 Å²	143.9	67%	0.667	74%	0.743	S	S	*	*	S	Bend	trans	-134.1	115.6	-176	-56.8	177.7	0	0	0	109.2
23	R	46	Very low	42	Very low	97 Å²	97	138.6 Å²	138.6	37%	0.366	74%	0.738	S	S	.	*	P	Polyproline II helix	trans	-61.1	136.9	179.2	-64.5	-175.5	-175	174.2	10.8	110.9	G98 L99	R23-G98 PolarHBondContact NH1-O 3.13Å; R23-L99 PolarHBondContact NH1-O 3.23Å; R23-L99 PolarHBondContact NH2-O 3.18Å
24	P	39.5	Very low	44.6	Very low	114 Å²	114	136.3 Å²	136.3	74%	0.74	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-70.8	150.7	-173.2	26.3	-32.9	0	0	0	113.2
25	P	48	Very low	47.6	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-73.2	147.7	171.6	28.8	-31.2	0	0	0	111.9	L27	P25-L27 PolarHBondContact O-N 2.9Å
26	I	51.8	Low	50.7	Low	136 Å²	136	121.9 Å²	121.9	70%	0.697	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-67.2	123.8	-173.1	-59.3	170	0	0	0	111.1
27	L	36.5	Very low	53.9	Low	149 Å²	149	114.9 Å²	114.9	78%	0.78	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-82.7	133.5	164.3	-98.6	100.6	0	0	0	110.5	P25 G29 H32	P25-L27 PolarHBondContact O-N 2.9Å; L27-G29 PolarHBondContact O-N 3.45Å; L27-H32 PolarHBondContact O-CE1 2.77Å; L27-H32 PolarHBondContact O-NE2 3.07Å
28	N	43.3	Very low	56.7	Low	170 Å²	170	105 Å²	105	91%	0.909	59%	0.589	S	S	*	*			trans	-74.6	105.7	171.9	-78.4	-25.6	0	0	0	110.7
29	G	38.9	Very low	59.5	Low	42 Å²	42	98.3 Å²	98.3	43%	0.433	55%	0.554	S	S	.	*			trans	-141.1	174.8	170.9	0	0	0	0	0	109.9	L27	L27-G29 PolarHBondContact O-N 3.45Å
30	P	42.2	Very low	62.6	Low	133 Å²	133	93.1 Å²	93.1	86%	0.864	52%	0.519	S	S	*	.	S	Bend	trans	-60.1	140	-165	26.8	-33.2	0	0	0	112.3	H32	P30-H32 PolarHBondContact O-N 3.33Å; P30-H32 VanDerWaalsContact O-N 3.15Å
31	M	44	Very low	65.6	Low	180 Å²	180	84.8 Å²	84.8	89%	0.887	48%	0.481	S	S	*	.			trans	-1.5	90.6	-172.4	-84.4	179.5	57.1	0	0	114.6
32	H	51.9	Low	68.3	Low	106 Å²	106	81.7 Å²	81.7	49%	0.491	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-48.4	135.5	165.7	-74.2	-66.3	0	0	0	109.5	L27 P30 R34	L27-H32 PolarHBondContact O-CE1 2.77Å; L27-H32 PolarHBondContact O-NE2 3.07Å; P30-H32 PolarHBondContact O-N 3.33Å; P30-H32 VanDerWaalsContact O-N 3.15Å; H32-R34 PolarHBondContact O-N 3.4Å
33	P	71.1	Confident	70.6	Confident	119 Å²	119	83.9 Å²	83.9	77%	0.773	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-53.7	131.9	173.6	21.8	-30.5	0	0	0	108.5
34	R	88.9	Confident	73.1	Confident	140 Å²	140	82.8 Å²	82.8	53%	0.528	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-52.9	130.7	179.1	-73.2	-178.7	-178.9	-176.4	-5.1	108.7	H32 L36 K53	H32-R34 PolarHBondContact O-N 3.4Å; R34-L36 PolarHBondContact O-N 3.4Å; R34-K53 PolarHBondContact NH1-O 2.62Å
35	P	96.1	Very high	75.9	Confident	36 Å²	36	77.9 Å²	77.9	23%	0.234	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-55.4	138.4	-175.9	23.4	-34.2	0	0	0	110.6	V55 A56 T57 V78 I346	P35-V55 WeakPolarHBondContact CD-O 3.39Å; P35-V55 WeakPolarHBondContact CG-O 3.35Å; P35-A56 HydrophobicContact CG-CB 4.35Å; P35-A56 WeakPolarHBondContact O-CA 3.25Å; P35-A56 WeakPolarHBondContact O-CB 3.34Å; P35-T57 PolarHBondContact O-N 3.28Å; P35-V78 HydrophobicContact CB-CB 4.05Å; P35-V78 HydrophobicContact CB-CG1 4.47Å; P35-V78 HydrophobicContact CB-CG2 3.9Å; P35-I346 HydrophobicContact CG-CD1 4.19Å; P35-I346 HydrophobicContact CG-CG2 4.02Å
36	L	98	Very high	78.3	Confident	23 Å²	23	76.8 Å²	76.8	12%	0.12	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.5	177.7	177.8	63.9	0	0	0	109.8	R34 T57 A59 V73 E76 A77 V78 A79	R34-L36 PolarHBondContact O-N 3.4Å; L36-T57 HydrophobicContact CD1-CG2 4.46Å; L36-A59 HydrophobicContact CD1-CB 3.96Å; L36-V73 HydrophobicContact CD2-CG2 4.36Å; L36-E76 HydrophobicContact CD2-CB 4.21Å; L36-A77 HydrophobicContact CD2-CB 4.3Å; L36-A77 HydrophobicContact CG-CB 4.38Å; L36-V78 PolarHBondContact O-N 3.12Å; L36-A79 PolarHBondContact O-N 2.75Å
37	V	98.6	Very high	80.5	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	170.1	-179.4	0	0	0	0	107.4	L52 A56 T57 V58 A59 A79 L81 V342 I346	V37-L52 HydrophobicContact CG1-CD1 4.18Å; V37-A56 HydrophobicContact CG2-CB 3.57Å; V37-T57 PolarHBondContact N-O 3.24Å; V37-V58 WeakPolarHBondContact O-CA 3.48Å; V37-A59 PolarHBondContact O-N 3.36Å; V37-A79 WeakPolarHBondContact CA-O 3.38Å; V37-A79 HydrophobicContact CG1-CB 4.26Å; V37-A79 HydrophobicContact CG2-CB 4.13Å; V37-L81 HydrophobicContact CG1-CD1 4.09Å; V37-L81 HydrophobicContact CG1-CG 4.48Å; V37-V342 HydrophobicContact CG1-CG1 3.98Å; V37-V342 HydrophobicContact CG2-CG1 3.73Å; V37-I346 HydrophobicContact CG2-CD1 3.84Å
38	A	98.6	Very high	83.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126	-178.7	0	0	0	0	0	111.5	L40 A59 V73 A77 A79 A80 L81	A38-L40 HydrophobicContact CB-CD2 3.93Å; A38-A59 CarbonylContact C-O 3.47Å; A38-A59 WeakPolarHBondContact CA-O 3.41Å; A38-V73 HydrophobicContact CB-CG1 3.55Å; A38-V73 HydrophobicContact CB-CG2 4.43Å; A38-A77 HydrophobicContact CB-CB 4.41Å; A38-A79 PolarHBondContact N-O 2.75Å; A38-A80 CarbonylContact O-C 3.6Å; A38-A80 VanDerWaalsContact O-CA 3.29Å; A38-A80 WeakPolarHBondContact O-CA 3.21Å; A38-L81 PolarHBondContact O-N 3.39Å
39	L	98.8	Very high	86.1	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.3	160.5	176.8	62.1	0	0	0	108.1	D44 A59 F60 C61 L81 Y83 I105	L39-D44 WeakPolarHBondContact CD2-O 3.21Å; L39-A59 PolarHBondContact N-O 3.46Å; L39-F60 HydrophobicContact CB-CB 4.16Å; L39-F60 CarbonylContact O-C 3.56Å; L39-F60 VanDerWaalsContact O-CA 3.29Å; L39-F60 WeakPolarHBondContact O-CA 3.19Å; L39-C61 PolarHBondContact O-N 3.13Å; L39-L81 CarbonylContact C-O 3.38Å; L39-L81 WeakPolarHBondContact CA-O 3.27Å; L39-L81 HydrophobicContact CD1-CB 3.91Å; L39-Y83 HydrophobicContact CD1-CD2 4.23Å; L39-Y83 HydrophobicContact CD1-CE2 3.86Å; L39-I105 HydrophobicContact CD1-CD1 4.04Å
40	L	98.7	Very high	88.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-76.3	-56.1	-169.4	-57.1	-170.4	0	0	0	112.1	A38 C61 D62 A63 I69 V73 A80 L81 L82 I86 L88 F96	A38-L40 HydrophobicContact CB-CD2 3.93Å; L40-C61 WeakPolarHBondContact O-CB 3.35Å; L40-D62 PolarHBondContact O-N 2.72Å; L40-D62 VanDerWaalsContact O-N 3.16Å; L40-A63 PolarHBondContact O-N 3.26Å; L40-I69 HydrophobicContact CD1-CD1 4.27Å; L40-I69 HydrophobicContact CD2-CD1 4.26Å; L40-V73 HydrophobicContact CD2-CG1 4.37Å; L40-A80 HydrophobicContact CD1-CB 4.07Å; L40-A80 HydrophobicContact CD2-CB 4.18Å; L40-A80 HydrophobicContact CG-CB 4.08Å; L40-L81 PolarHBondContact N-O 2.94Å; L40-L82 HydrophobicContact CB-CB 4.24Å; L40-L82 HydrophobicContact CD1-CB 4.41Å; L40-L82 HydrophobicContact CD1-CD2 3.89Å; L40-L82 HydrophobicContact CG-CB 4.43Å; L40-I86 HydrophobicContact CB-CD1 4.35Å; L40-I86 HydrophobicContact CB-CG2 4.38Å; L40-L88 HydrophobicContact CD1-CD1 4.18Å; L40-L88 HydrophobicContact CD1-CD2 4.47Å; L40-F96 HydrophobicContact CD1-CZ 4.24Å
41	D	98.2	Very high	91.6	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.064	30%	0.297	C	S	.	.	S	Bend	trans	-111.1	30.4	-168	62.7	-20.3	0	0	0	112.7	A63 L82 Y83 T85 I86	D41-A63 VanDerWaalsContact CA-O 3.31Å; D41-A63 WeakPolarHBondContact CA-O 3.23Å; D41-A63 WeakPolarHBondContact CB-O 3.16Å; D41-L82 WeakPolarHBondContact OD1-CA 3.33Å; D41-L82 WeakPolarHBondContact OD1-CB 3.45Å; D41-Y83 VanDerWaalsContact CG-N 3.27Å; D41-Y83 PolarHBondContact OD1-N 2.95Å; D41-Y83 VanDerWaalsContact OD2-CA 3.27Å; D41-Y83 WeakPolarHBondContact OD2-CA 3.21Å; D41-Y83 WeakPolarHBondContact OD2-CB 3.21Å; D41-Y83 PolarHBondContact OD2-N 2.86Å; D41-T85 WeakPolarHBondContact CB-OG1 3.44Å; D41-T85 PolarHBondContact OD2-N 2.86Å; D41-T85 PolarHBondContact OD2-OG1 3.3Å; D41-I86 HydrophobicContact CB-CB 3.87Å; D41-I86 HydrophobicContact CB-CG2 3.74Å; D41-I86 PolarHBondContact OD2-N 3.4Å
42	G	97.2	Very high	94.2	Very high	9 Å²	9	49.5 Å²	49.5	9%	0.093	26%	0.255	C	S	.	.			trans	-145.1	168.1	174.9	0	0	0	0	0	111.9	F60 D62	G42-F60 WeakPolarHBondContact O-CB 3.48Å; G42-D62 PolarHBondContact O-N 3.48Å
43	R	97.2	Very high	96.3	Very high	177 Å²	177	51.2 Å²	51.2	67%	0.668	26%	0.261	S	S	*	.	S	Bend	trans	-116.6	-27.2	-176.5	-174	172.8	58.5	116.4	3.7	113.7	F60 D62	R43-F60 HydrophobicContact CB-CD2 4.36Å; R43-F60 HydrophobicContact CB-CE2 4.47Å; R43-F60 HydrophobicContact CG-CD2 4.15Å; R43-F60 HydrophobicContact CG-CE2 3.79Å; R43-F60 HydrophobicContact CG-CZ 4.14Å; R43-F60 WeakPolarHBondContact O-CD1 3.49Å; R43-D62 HydrophobicContact CB-CB 4.41Å
44	D	98.1	Very high	97.4	Very high	74 Å²	74	49.6 Å²	49.6	40%	0.396	25%	0.245	S	C	.	.			trans	-93.6	115.4	-177.9	175.6	15.6	0	0	0	110.7	L39 T46 R335	L39-D44 WeakPolarHBondContact CD2-O 3.21Å; D44-T46 WeakPolarHBondContact OD1-CB 3.33Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.2Å; D44-T46 PolarHBondContact OD1-N 2.72Å; D44-T46 PolarHBondContact OD1-OG1 3.47Å; D44-T46 PolarHBondContact OD2-OG1 3.41Å; D44-R335 PolarHBondContact O-NH2 2.96Å; D44-R335 IonicContact OD1-NH2 3.02Å; D44-R335 PolarHBondContact OD1-NH2 3.15Å; D44-R335 IonicContact OD2-CZ 2.8Å; D44-R335 IonicContact OD2-NH1 2.89Å; D44-R335 PolarHBondContact OD2-NH1 3.41Å; D44-R335 IonicContact OD2-NH2 3.96Å; D44-R335 PolarHBondContact OD2-NH2 2.91Å
45	C	97.9	Very high	97.8	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.068	23%	0.228	C	C	.	.			trans	-111.1	15.7	173.6	-65.6	0	0	0	0	113.4	V47 E48 M49 V58	C45-V47 VanDerWaalsContact C-N 3.27Å; C45-V47 PolarHBondContact O-N 2.8Å; C45-E48 VanDerWaalsContact CA-OE2 3.23Å; C45-E48 WeakPolarHBondContact CA-OE2 3.44Å; C45-E48 PolarHBondContact O-N 3.2Å; C45-M49 HydrophobicContact CB-CG 3.97Å; C45-M49 HydrophobicContact CB-SD 4.33Å; C45-M49 VanDerWaalsContact O-CB 3.29Å; C45-M49 WeakPolarHBondContact O-CB 3.34Å; C45-M49 WeakPolarHBondContact O-CG 3.32Å; C45-M49 PolarHBondContact O-N 2.98Å; C45-V58 HydrophobicContact CB-CG1 3.97Å
46	T	98.4	Very high	97.9	Very high	96 Å²	96	42.6 Å²	42.6	59%	0.589	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.8	-171.8	54.9	0	0	0	0	114.1	D44 P50	D44-T46 WeakPolarHBondContact OD1-CB 3.33Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.2Å; D44-T46 PolarHBondContact OD1-N 2.72Å; D44-T46 PolarHBondContact OD1-OG1 3.47Å; D44-T46 PolarHBondContact OD2-OG1 3.41Å; T46-P50 WeakPolarHBondContact O-CD 3.48Å; T46-P50 WeakPolarHBondContact O-CG 3.36Å
47	V	98.6	Very high	97.9	Very high	26 Å²	26	44.9 Å²	44.9	16%	0.158	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-41.5	176.8	176.9	0	0	0	0	111.2	C45 P50 I51 R335 E336	C45-V47 VanDerWaalsContact C-N 3.27Å; C45-V47 PolarHBondContact O-N 2.8Å; V47-P50 WeakPolarHBondContact O-CD 3.45Å; V47-I51 WeakPolarHBondContact O-CD1 3.31Å; V47-R335 HydrophobicContact CB-CB 4.07Å; V47-R335 HydrophobicContact CG1-CB 3.73Å; V47-R335 VanDerWaalsContact CG2-CZ 3.45Å; V47-E336 HydrophobicContact CG1-CG 3.68Å
48	E	98.7	Very high	97.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-76.4	-36.8	-174.5	-59	81.9	178.5	0	0	111.8	C45 I51 L52 L81 R335 A339	C45-E48 VanDerWaalsContact CA-OE2 3.23Å; C45-E48 WeakPolarHBondContact CA-OE2 3.44Å; C45-E48 PolarHBondContact O-N 3.2Å; E48-I51 PolarHBondContact O-N 3.01Å; E48-I51 VanDerWaalsContact O-N 3.15Å; E48-L52 HydrophobicContact CB-CD1 4.42Å; E48-L52 PolarHBondContact O-N 3.27Å; E48-L81 HydrophobicContact CB-CD1 4.46Å; E48-L81 HydrophobicContact CG-CD1 3.99Å; E48-R335 WeakPolarHBondContact OE1-CB 3.42Å; E48-R335 WeakPolarHBondContact OE1-CG 3.34Å; E48-R335 IonicContact OE1-CZ 3.87Å; E48-R335 IonicContact OE1-NE 3.26Å; E48-R335 PolarHBondContact OE1-NE 2.98Å; E48-R335 IonicContact OE1-NH2 2.75Å; E48-R335 IonicContact OE2-CZ 3.63Å; E48-R335 IonicContact OE2-NE 3.37Å; E48-R335 PolarHBondContact OE2-NE 2.95Å; E48-R335 IonicContact OE2-NH2 4Å; E48-R335 PolarHBondContact OE2-NH2 3.3Å; E48-A339 HydrophobicContact CB-CB 4.09Å; E48-A339 HydrophobicContact CG-CB 4.09Å
49	M	97.5	Very high	97.8	Very high	99 Å²	99	47.6 Å²	47.6	49%	0.488	25%	0.253	S	S	.	.	H	α-helix	trans	-56.2	-52	-177.5	-81.7	-176	102.3	0	0	112.9	C45 I51 L52 K53 V58	C45-M49 HydrophobicContact CB-CG 3.97Å; C45-M49 HydrophobicContact CB-SD 4.33Å; C45-M49 VanDerWaalsContact O-CB 3.29Å; C45-M49 WeakPolarHBondContact O-CB 3.34Å; C45-M49 WeakPolarHBondContact O-CG 3.32Å; C45-M49 PolarHBondContact O-N 2.98Å; M49-I51 PolarHBondContact O-N 2.99Å; M49-L52 PolarHBondContact O-N 3.32Å; M49-K53 WeakPolarHBondContact O-CA 3.45Å; M49-K53 VanDerWaalsContact O-CB 3.25Å; M49-K53 WeakPolarHBondContact O-CB 3.4Å; M49-K53 PolarHBondContact O-N 3.4Å; M49-V58 HydrophobicContact CG-CB 4.01Å; M49-V58 HydrophobicContact CG-CG1 4.13Å; M49-V58 HydrophobicContact CG-CG2 4.49Å
50	P	98.3	Very high	97.7	Very high	75 Å²	75	52.7 Å²	52.7	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-31.4	177.7	-26.9	35.1	0	0	0	114.5	T46 V47	T46-P50 WeakPolarHBondContact O-CD 3.48Å; T46-P50 WeakPolarHBondContact O-CG 3.36Å; V47-P50 WeakPolarHBondContact O-CD 3.45Å
51	I	98.6	Very high	97.7	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.185	29%	0.286	C	S	.	.	H	α-helix	trans	-80.3	-29.9	-177.5	-62	170.1	0	0	0	111.6	V47 E48 M49 E336 A339 R340 R343	V47-I51 WeakPolarHBondContact O-CD1 3.31Å; E48-I51 PolarHBondContact O-N 3.01Å; E48-I51 VanDerWaalsContact O-N 3.15Å; M49-I51 PolarHBondContact O-N 2.99Å; I51-E336 HydrophobicContact CD1-CB 4.09Å; I51-E336 HydrophobicContact CD1-CG 3.99Å; I51-A339 HydrophobicContact CB-CB 3.99Å; I51-A339 HydrophobicContact CD1-CB 3.89Å; I51-A339 HydrophobicContact CG2-CB 3.81Å; I51-R340 HydrophobicContact CG2-CG 4.36Å; I51-R343 PolarHBondContact O-NH1 2.91Å
52	L	98.2	Very high	97.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-107.7	-11.9	-173.5	-66.1	175.5	0	0	0	114.3	V37 E48 M49 D54 V55 A56 V58 A339 V342 R343	V37-L52 HydrophobicContact CG1-CD1 4.18Å; E48-L52 HydrophobicContact CB-CD1 4.42Å; E48-L52 PolarHBondContact O-N 3.27Å; M49-L52 PolarHBondContact O-N 3.32Å; L52-D54 PolarHBondContact O-N 3.16Å; L52-V55 HydrophobicContact CD2-CG2 4.14Å; L52-V55 WeakPolarHBondContact O-CG2 3.47Å; L52-V55 PolarHBondContact O-N 3.04Å; L52-A56 HydrophobicContact CB-CB 4.44Å; L52-A56 PolarHBondContact O-N 3.21Å; L52-V58 HydrophobicContact CB-CG2 3.66Å; L52-V58 HydrophobicContact CD1-CG2 3.89Å; L52-V58 HydrophobicContact CG-CG2 4.43Å; L52-A339 HydrophobicContact CD1-CB 4.32Å; L52-A339 WeakPolarHBondContact CD2-O 3.44Å; L52-A339 HydrophobicContact CG-CB 4.32Å; L52-V342 HydrophobicContact CD1-CB 4.42Å; L52-V342 HydrophobicContact CD1-CG1 4.11Å; L52-V342 HydrophobicContact CD2-CB 4.23Å; L52-V342 HydrophobicContact CD2-CG1 3.96Å; L52-R343 HydrophobicContact CD2-CB 3.95Å
53	K	95.9	Very high	97.6	Very high	141 Å²	141	56.8 Å²	56.8	61%	0.613	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.8	-170.8	65.5	-179.7	179.4	-177.8	0	115.9	R34 M49	R34-K53 PolarHBondContact NH1-O 2.62Å; M49-K53 WeakPolarHBondContact O-CA 3.45Å; M49-K53 VanDerWaalsContact O-CB 3.25Å; M49-K53 WeakPolarHBondContact O-CB 3.4Å; M49-K53 PolarHBondContact O-N 3.4Å
54	D	95.9	Very high	97.5	Very high	85 Å²	85	53.6 Å²	53.6	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-19.2	-179.1	61.2	-44.3	0	0	0	112.8	L52 R343	L52-D54 PolarHBondContact O-N 3.16Å; D54-R343 IonicContact OD1-CZ 3.91Å; D54-R343 IonicContact OD1-NH1 2.76Å; D54-R343 PolarHBondContact OD1-NH1 3Å; D54-R343 IonicContact OD1-NH2 3.61Å; D54-R343 IonicContact OD2-CZ 2.8Å; D54-R343 IonicContact OD2-NH1 3.5Å; D54-R343 PolarHBondContact OD2-NH1 2.95Å; D54-R343 IonicContact OD2-NH2 3.53Å; D54-R343 PolarHBondContact OD2-NH2 3.22Å
55	V	96.8	Very high	97.4	Very high	26 Å²	26	51.6 Å²	51.6	16%	0.158	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-17	-174.8	-62.3	0	0	0	0	114.4	P35 L52 R343 I346 T347	P35-V55 WeakPolarHBondContact CD-O 3.39Å; P35-V55 WeakPolarHBondContact CG-O 3.35Å; L52-V55 HydrophobicContact CD2-CG2 4.14Å; L52-V55 WeakPolarHBondContact O-CG2 3.47Å; L52-V55 PolarHBondContact O-N 3.04Å; V55-R343 HydrophobicContact CG2-CG 4.29Å; V55-I346 HydrophobicContact CB-CG2 4.34Å; V55-T347 HydrophobicContact CG1-CG2 4.05Å
56	A	97.6	Very high	97.3	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.033	28%	0.28	C	S	.	.			trans	-149.7	162.5	-173.1	0	0	0	0	0	113.6	P35 V37 L52 I346	P35-A56 HydrophobicContact CG-CB 4.35Å; P35-A56 WeakPolarHBondContact O-CA 3.25Å; P35-A56 WeakPolarHBondContact O-CB 3.34Å; V37-A56 HydrophobicContact CG2-CB 3.57Å; L52-A56 HydrophobicContact CB-CB 4.44Å; L52-A56 PolarHBondContact O-N 3.21Å; A56-I346 HydrophobicContact CB-CD1 3.88Å
57	T	97.8	Very high	97.2	Very high	71 Å²	71	53.8 Å²	53.8	44%	0.436	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.5	162.5	-55.6	0	0	0	0	107.8	P35 L36 V37	P35-T57 PolarHBondContact O-N 3.28Å; L36-T57 HydrophobicContact CD1-CG2 4.46Å; V37-T57 PolarHBondContact N-O 3.24Å
58	V	97.8	Very high	97.1	Very high	22 Å²	22	57.1 Å²	57.1	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.5	179.1	-175.7	0	0	0	0	109.5	V37 C45 M49 L52	V37-V58 WeakPolarHBondContact O-CA 3.48Å; C45-V58 HydrophobicContact CB-CG1 3.97Å; M49-V58 HydrophobicContact CG-CB 4.01Å; M49-V58 HydrophobicContact CG-CG1 4.13Å; M49-V58 HydrophobicContact CG-CG2 4.49Å; L52-V58 HydrophobicContact CB-CG2 3.66Å; L52-V58 HydrophobicContact CD1-CG2 3.89Å; L52-V58 HydrophobicContact CG-CG2 4.43Å
59	A	97.6	Very high	97.1	Very high	34 Å²	34	57.5 Å²	57.5	28%	0.281	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	165.1	174	0	0	0	0	0	110.3	L36 V37 A38 L39	L36-A59 HydrophobicContact CD1-CB 3.96Å; V37-A59 PolarHBondContact O-N 3.36Å; A38-A59 CarbonylContact C-O 3.47Å; A38-A59 WeakPolarHBondContact CA-O 3.41Å; L39-A59 PolarHBondContact N-O 3.46Å
60	F	98	Very high	97.1	Very high	109 Å²	109	59 Å²	59	48%	0.478	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156	173.3	69.6	-95.9	0	0	0	110.4	L39 G42 R43 D62	L39-F60 HydrophobicContact CB-CB 4.16Å; L39-F60 CarbonylContact O-C 3.56Å; L39-F60 VanDerWaalsContact O-CA 3.29Å; L39-F60 WeakPolarHBondContact O-CA 3.19Å; G42-F60 WeakPolarHBondContact O-CB 3.48Å; R43-F60 HydrophobicContact CB-CD2 4.36Å; R43-F60 HydrophobicContact CB-CE2 4.47Å; R43-F60 HydrophobicContact CG-CD2 4.15Å; R43-F60 HydrophobicContact CG-CE2 3.79Å; R43-F60 HydrophobicContact CG-CZ 4.14Å; R43-F60 WeakPolarHBondContact O-CD1 3.49Å; F60-D62 HydrophobicContact CD2-CB 4.31Å
61	C	97.4	Very high	97	Very high	33 Å²	33	61.9 Å²	61.9	22%	0.223	31%	0.313	C	S	.	.			trans	-112.6	-30.3	178.8	-43.9	0	0	0	0	112.7	L39 L40 A63	L39-C61 PolarHBondContact O-N 3.13Å; L40-C61 WeakPolarHBondContact O-CB 3.35Å; C61-A63 HydrophobicContact CB-CB 4.07Å; C61-A63 PolarHBondContact O-N 3.09Å
62	D	97.3	Very high	96.9	Very high	72 Å²	72	65.6 Å²	65.6	39%	0.385	33%	0.328	S	S	.	.			trans	55	35.3	-172.7	-158	26.2	0	0	0	112.9	L40 G42 R43 F60 Q64	L40-D62 PolarHBondContact O-N 2.72Å; L40-D62 VanDerWaalsContact O-N 3.16Å; G42-D62 PolarHBondContact O-N 3.48Å; R43-D62 HydrophobicContact CB-CB 4.41Å; F60-D62 HydrophobicContact CD2-CB 4.31Å; D62-Q64 PolarHBondContact O-NE2 3.18Å
63	A	97.1	Very high	96.9	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.008	33%	0.332	C	S	.	.			trans	-93.2	135.1	-173.3	0	0	0	0	0	111.8	L40 D41 C61 E68 I69	L40-A63 PolarHBondContact O-N 3.26Å; D41-A63 VanDerWaalsContact CA-O 3.31Å; D41-A63 WeakPolarHBondContact CA-O 3.23Å; D41-A63 WeakPolarHBondContact CB-O 3.16Å; C61-A63 HydrophobicContact CB-CB 4.07Å; C61-A63 PolarHBondContact O-N 3.09Å; A63-E68 WeakPolarHBondContact CA-OE2 3.42Å; A63-E68 HydrophobicContact CB-CB 3.83Å; A63-I69 HydrophobicContact CB-CG1 3.92Å
64	Q	94.5	Very high	97	Very high	111 Å²	111	60.7 Å²	60.7	52%	0.519	31%	0.309	S	S	.	.	S	Bend	trans	-94.6	-15	173.2	-67.7	70.7	54.1	0	0	111.7	D62 E68	D62-Q64 PolarHBondContact O-NE2 3.18Å; Q64-E68 PolarHBondContact N-OE2 2.68Å; Q64-E68 PolarHBondContact OE1-OE2 2.72Å; Q64-E68 VanDerWaalsContact OE1-OE2 3.13Å
65	S	96.1	Very high	97.1	Very high	31 Å²	31	60.1 Å²	60.1	22%	0.217	31%	0.305	C	S	.	.	S	Bend	trans	-143.4	159.5	178.8	71.5	0	0	0	0	111.3	Q67 E68	S65-Q67 VanDerWaalsContact CB-OE1 3.27Å; S65-Q67 PolarHBondContact O-N 2.63Å; S65-Q67 PolarHBondContact OG-OE1 2.94Å; S65-E68 PolarHBondContact O-N 3.3Å; S65-E68 PolarHBondContact OG-OE1 2.7Å
66	T	95.3	Very high	97.1	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.031	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-67.8	-19.4	180	58.8	0	0	0	0	113.3	E68 I69 I86 L88 D92 K95	T66-E68 PolarHBondContact O-N 3Å; T66-I69 HydrophobicContact CG2-CD1 4.21Å; T66-I69 PolarHBondContact O-N 3Å; T66-I86 HydrophobicContact CG2-CD1 4.41Å; T66-L88 HydrophobicContact CG2-CD2 3.47Å; T66-L88 VanDerWaalsContact CG2-CD2 3.47Å; T66-D92 WeakPolarHBondContact CB-OD1 3.27Å; T66-D92 HydrophobicContact CG2-CB 3.56Å; T66-D92 WeakPolarHBondContact CG2-OD1 3.39Å; T66-D92 PolarHBondContact OG1-OD1 3.13Å; T66-K95 PolarHBondContact OG1-NZ 2.87Å
67	Q	96.4	Very high	97.1	Very high	147 Å²	147	63.7 Å²	63.7	69%	0.687	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-67.3	-25.8	175.7	-67.4	77.7	2.9	0	0	112.3	S65	S65-Q67 VanDerWaalsContact CB-OE1 3.27Å; S65-Q67 PolarHBondContact O-N 2.63Å; S65-Q67 PolarHBondContact OG-OE1 2.94Å
68	E	97.3	Very high	97.1	Very high	97 Å²	97	62.2 Å²	62.2	45%	0.453	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-87.1	-11	179.3	-67.8	155	-138.2	0	0	112.6	A63 Q64 S65 T66 H70	A63-E68 WeakPolarHBondContact CA-OE2 3.42Å; A63-E68 HydrophobicContact CB-CB 3.83Å; Q64-E68 PolarHBondContact N-OE2 2.68Å; Q64-E68 PolarHBondContact OE1-OE2 2.72Å; Q64-E68 VanDerWaalsContact OE1-OE2 3.13Å; S65-E68 PolarHBondContact O-N 3.3Å; S65-E68 PolarHBondContact OG-OE1 2.7Å; T66-E68 PolarHBondContact O-N 3Å; E68-H70 PolarHBondContact O-N 3.01Å
69	I	97.7	Very high	97.2	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	-72.2	121.9	179.6	-58.4	177	0	0	0	109.2	L40 A63 T66 V73 L74 I86 F96	L40-I69 HydrophobicContact CD1-CD1 4.27Å; L40-I69 HydrophobicContact CD2-CD1 4.26Å; A63-I69 HydrophobicContact CB-CG1 3.92Å; T66-I69 HydrophobicContact CG2-CD1 4.21Å; T66-I69 PolarHBondContact O-N 3Å; I69-V73 HydrophobicContact CG2-CB 3.74Å; I69-V73 HydrophobicContact CG2-CG1 3.63Å; I69-L74 HydrophobicContact CB-CD2 4.13Å; I69-L74 HydrophobicContact CB-CG 4.35Å; I69-L74 HydrophobicContact CG2-CD2 3.75Å; I69-L74 HydrophobicContact CG2-CG 3.88Å; I69-I86 HydrophobicContact CD1-CD1 4.02Å; I69-F96 HydrophobicContact CD1-CZ 3.88Å
70	H	97.7	Very high	97.2	Very high	131 Å²	131	59.5 Å²	59.5	61%	0.606	29%	0.291	S	S	*	.			trans	-59	139.5	-179.8	-171.8	-81.8	0	0	0	111.9	E68 K72 V73 L74	E68-H70 PolarHBondContact O-N 3.01Å; H70-K72 VanDerWaalsContact ND1-CB 3.29Å; H70-K72 WeakPolarHBondContact ND1-CB 3.45Å; H70-K72 PolarHBondContact ND1-N 3.42Å; H70-K72 VanDerWaalsContact ND1-N 3.1Å; H70-K72 PolarHBondContact O-N 3.1Å; H70-K72 VanDerWaalsContact O-N 3.09Å; H70-V73 WeakPolarHBondContact O-CA 3.5Å; H70-V73 WeakPolarHBondContact O-CB 3.27Å; H70-V73 PolarHBondContact O-N 3.35Å; H70-L74 PolarHBondContact O-N 3.33Å
71	E	97	Very high	97.3	Very high	136 Å²	136	54.4 Å²	54.4	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-52.5	-39.6	-175.6	-170.1	-173.4	170.7	0	0	113	V73 L74 N75	E71-V73 VanDerWaalsContact C-N 3.3Å; E71-V73 PolarHBondContact O-N 3.16Å; E71-L74 PolarHBondContact O-N 3.25Å; E71-N75 WeakPolarHBondContact CG-ND2 3.48Å; E71-N75 WeakPolarHBondContact O-CB 3.18Å; E71-N75 PolarHBondContact O-N 3.38Å; E71-N75 PolarHBondContact O-ND2 2.76Å
72	K	96.4	Very high	97.3	Very high	113 Å²	113	52.9 Å²	52.9	49%	0.491	26%	0.258	S	S	.	.	H	α-helix	trans	-54	-42.7	173.6	-168.4	177.5	-172.8	-179.1	0	113.3	H70 N75 E76	H70-K72 VanDerWaalsContact ND1-CB 3.29Å; H70-K72 WeakPolarHBondContact ND1-CB 3.45Å; H70-K72 PolarHBondContact ND1-N 3.42Å; H70-K72 VanDerWaalsContact ND1-N 3.1Å; H70-K72 PolarHBondContact O-N 3.1Å; H70-K72 VanDerWaalsContact O-N 3.09Å; K72-N75 PolarHBondContact O-N 2.96Å; K72-E76 VanDerWaalsContact CE-CD 3.49Å; K72-E76 WeakPolarHBondContact CE-OE1 3.29Å; K72-E76 WeakPolarHBondContact CE-OE2 3.46Å; K72-E76 HydrophobicContact CG-CG 4.29Å; K72-E76 VanDerWaalsContact O-CB 3.28Å; K72-E76 WeakPolarHBondContact O-CB 3.42Å; K72-E76 PolarHBondContact O-N 3.37Å
73	V	97.8	Very high	97.4	Very high	13 Å²	13	51.3 Å²	51.3	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-45.1	178.3	173	0	0	0	0	109.9	L36 A38 L40 I69 H70 E71 N75 A77 F96	L36-V73 HydrophobicContact CD2-CG2 4.36Å; A38-V73 HydrophobicContact CB-CG1 3.55Å; A38-V73 HydrophobicContact CB-CG2 4.43Å; L40-V73 HydrophobicContact CD2-CG1 4.37Å; I69-V73 HydrophobicContact CG2-CB 3.74Å; I69-V73 HydrophobicContact CG2-CG1 3.63Å; H70-V73 WeakPolarHBondContact O-CA 3.5Å; H70-V73 WeakPolarHBondContact O-CB 3.27Å; H70-V73 PolarHBondContact O-N 3.35Å; E71-V73 VanDerWaalsContact C-N 3.3Å; E71-V73 PolarHBondContact O-N 3.16Å; V73-N75 VanDerWaalsContact C-N 3.28Å; V73-N75 PolarHBondContact O-N 2.84Å; V73-A77 HydrophobicContact CG1-CB 3.95Å; V73-A77 WeakPolarHBondContact O-CB 3.2Å; V73-A77 PolarHBondContact O-N 3.36Å; V73-F96 HydrophobicContact CG1-CE1 4.38Å
74	L	97.8	Very high	97.4	Very high	26 Å²	26	53.9 Å²	53.9	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-38.8	177.1	-62.2	175	0	0	0	112.1	I69 H70 E71 K95 F96 K97	I69-L74 HydrophobicContact CB-CD2 4.13Å; I69-L74 HydrophobicContact CB-CG 4.35Å; I69-L74 HydrophobicContact CG2-CD2 3.75Å; I69-L74 HydrophobicContact CG2-CG 3.88Å; H70-L74 PolarHBondContact O-N 3.33Å; E71-L74 PolarHBondContact O-N 3.25Å; L74-K95 HydrophobicContact CD1-CB 4.46Å; L74-K95 HydrophobicContact CD2-CB 4.12Å; L74-F96 HydrophobicContact CD2-CD1 4.03Å; L74-F96 HydrophobicContact CD2-CD2 4.23Å; L74-F96 HydrophobicContact CD2-CE1 3.78Å; L74-F96 HydrophobicContact CD2-CE2 3.98Å; L74-F96 HydrophobicContact CD2-CG 4.27Å; L74-F96 HydrophobicContact CD2-CZ 3.76Å; L74-F96 CarbonylContact O-C 2.98Å; L74-F96 VanDerWaalsContact O-CA 3.32Å; L74-F96 WeakPolarHBondContact O-CA 3.45Å; L74-K97 PolarHBondContact O-N 3.01Å
75	N	97.2	Very high	97.5	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-80.3	-40.3	-178.3	-71.3	-22.6	0	0	0	113.5	E71 K72 V73	E71-N75 WeakPolarHBondContact CG-ND2 3.48Å; E71-N75 WeakPolarHBondContact O-CB 3.18Å; E71-N75 PolarHBondContact O-N 3.38Å; E71-N75 PolarHBondContact O-ND2 2.76Å; K72-N75 PolarHBondContact O-N 2.96Å; V73-N75 VanDerWaalsContact C-N 3.28Å; V73-N75 PolarHBondContact O-N 2.84Å
76	E	97.2	Very high	97.6	Very high	106 Å²	106	50.7 Å²	50.7	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-112.5	-18.1	-165.4	-59.4	178.6	-160	0	0	114.9	L36 K72 V78	L36-E76 HydrophobicContact CD2-CB 4.21Å; K72-E76 VanDerWaalsContact CE-CD 3.49Å; K72-E76 WeakPolarHBondContact CE-OE1 3.29Å; K72-E76 WeakPolarHBondContact CE-OE2 3.46Å; K72-E76 HydrophobicContact CG-CG 4.29Å; K72-E76 VanDerWaalsContact O-CB 3.28Å; K72-E76 WeakPolarHBondContact O-CB 3.42Å; K72-E76 PolarHBondContact O-N 3.37Å; E76-V78 PolarHBondContact O-N 3.4Å
77	A	98.1	Very high	97.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	127.9	-175.7	0	0	0	0	0	111.2	L36 A38 V73 G98 L99	L36-A77 HydrophobicContact CD2-CB 4.3Å; L36-A77 HydrophobicContact CG-CB 4.38Å; A38-A77 HydrophobicContact CB-CB 4.41Å; V73-A77 HydrophobicContact CG1-CB 3.95Å; V73-A77 WeakPolarHBondContact O-CB 3.2Å; V73-A77 PolarHBondContact O-N 3.36Å; A77-G98 CarbonylContact O-C 3.58Å; A77-L99 WeakPolarHBondContact O-CA 3.27Å; A77-L99 PolarHBondContact O-N 2.95Å
78	V	98.3	Very high	97.8	Very high	39 Å²	39	47.8 Å²	47.8	24%	0.236	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-30.9	177.1	177.8	0	0	0	0	110.8	P35 L36 E76 R100 V101	P35-V78 HydrophobicContact CB-CB 4.05Å; P35-V78 HydrophobicContact CB-CG1 4.47Å; P35-V78 HydrophobicContact CB-CG2 3.9Å; L36-V78 PolarHBondContact O-N 3.12Å; E76-V78 PolarHBondContact O-N 3.4Å; V78-R100 HydrophobicContact CG1-CB 4.37Å; V78-R100 HydrophobicContact CG1-CG 4.22Å; V78-R100 PolarHBondContact O-N 3.13Å; V78-V101 PolarHBondContact O-N 3.43Å
79	A	98.6	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.7	174.8	0	0	0	0	0	111	L36 V37 A38 V101 V342	L36-A79 PolarHBondContact O-N 2.75Å; V37-A79 WeakPolarHBondContact CA-O 3.38Å; V37-A79 HydrophobicContact CG1-CB 4.26Å; V37-A79 HydrophobicContact CG2-CB 4.13Å; A38-A79 PolarHBondContact N-O 2.75Å; A79-V101 CarbonylContact C-O 3.59Å; A79-V101 VanDerWaalsContact CA-O 3.29Å; A79-V101 WeakPolarHBondContact CA-O 3.47Å; A79-V101 HydrophobicContact CB-CG1 3.4Å; A79-V342 HydrophobicContact CB-CG1 3.84Å; A79-V342 HydrophobicContact CB-CG2 4.37Å
80	A	98.8	Very high	97.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.9	172.6	0	0	0	0	0	110.3	A38 L40 L99 V101 I102 V103	A38-A80 CarbonylContact O-C 3.6Å; A38-A80 VanDerWaalsContact O-CA 3.29Å; A38-A80 WeakPolarHBondContact O-CA 3.21Å; L40-A80 HydrophobicContact CD1-CB 4.07Å; L40-A80 HydrophobicContact CD2-CB 4.18Å; L40-A80 HydrophobicContact CG-CB 4.08Å; A80-L99 HydrophobicContact CB-CD1 3.72Å; A80-L99 HydrophobicContact CB-CD2 4.37Å; A80-V101 PolarHBondContact N-O 2.93Å; A80-I102 HydrophobicContact CB-CG1 4.35Å; A80-I102 CarbonylContact O-C 3.53Å; A80-I102 WeakPolarHBondContact O-CA 3.36Å; A80-V103 PolarHBondContact O-N 3.23Å
81	L	98.9	Very high	97.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.8	165.9	-72.7	161.2	0	0	0	107.4	V37 A38 L39 L40 E48 V103 I105 A338 V342	V37-L81 HydrophobicContact CG1-CD1 4.09Å; V37-L81 HydrophobicContact CG1-CG 4.48Å; A38-L81 PolarHBondContact O-N 3.39Å; L39-L81 CarbonylContact C-O 3.38Å; L39-L81 WeakPolarHBondContact CA-O 3.27Å; L39-L81 HydrophobicContact CD1-CB 3.91Å; L40-L81 PolarHBondContact N-O 2.94Å; E48-L81 HydrophobicContact CB-CD1 4.46Å; E48-L81 HydrophobicContact CG-CD1 3.99Å; L81-V103 WeakPolarHBondContact CA-O 3.45Å; L81-V103 HydrophobicContact CD2-CB 3.91Å; L81-V103 HydrophobicContact CD2-CG1 4.27Å; L81-I105 HydrophobicContact CB-CD1 4.18Å; L81-I105 HydrophobicContact CD2-CD1 4.25Å; L81-I105 HydrophobicContact CD2-CG1 4.08Å; L81-A338 HydrophobicContact CD2-CB 3.63Å; L81-V342 HydrophobicContact CD1-CG2 4.48Å; L81-V342 HydrophobicContact CD2-CG2 3.87Å; L81-V342 HydrophobicContact CG-CG2 4.03Å
82	L	98.7	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.8	173.3	62.2	117.9	0	0	0	113.1	L40 D41 I86 L88 I102 V103 R104 I105 N111 V112	L40-L82 HydrophobicContact CB-CB 4.24Å; L40-L82 HydrophobicContact CD1-CB 4.41Å; L40-L82 HydrophobicContact CD1-CD2 3.89Å; L40-L82 HydrophobicContact CG-CB 4.43Å; D41-L82 WeakPolarHBondContact OD1-CA 3.33Å; D41-L82 WeakPolarHBondContact OD1-CB 3.45Å; L82-I86 HydrophobicContact CB-CG2 3.92Å; L82-I86 HydrophobicContact CD1-CG2 3.9Å; L82-I86 HydrophobicContact CG-CG2 4.42Å; L82-L88 HydrophobicContact CD2-CD1 3.68Å; L82-I102 HydrophobicContact CD2-CG2 3.46Å; L82-I102 VanDerWaalsContact CD2-CG2 3.46Å; L82-I102 HydrophobicContact CG-CG2 4.34Å; L82-V103 PolarHBondContact N-O 3.38Å; L82-R104 HydrophobicContact CD1-CG 4.5Å; L82-R104 WeakPolarHBondContact O-CA 3.37Å; L82-R104 PolarHBondContact O-NH1 2.87Å; L82-I105 PolarHBondContact O-N 3.05Å; L82-N111 VanDerWaalsContact CD1-ND2 3.35Å; L82-N111 WeakPolarHBondContact CD1-ND2 3.43Å; L82-V112 HydrophobicContact CD1-CG2 4.04Å
83	Y	98.4	Very high	98.1	Very high	40 Å²	40	36.9 Å²	36.9	16%	0.157	20%	0.195	C	C	.	.			trans	-91.1	-153.1	171.7	-65.5	-82.9	0	0	0	110.3	L39 D41 R104 I105 N111 R335	L39-Y83 HydrophobicContact CD1-CD2 4.23Å; L39-Y83 HydrophobicContact CD1-CE2 3.86Å; D41-Y83 VanDerWaalsContact CG-N 3.27Å; D41-Y83 PolarHBondContact OD1-N 2.95Å; D41-Y83 VanDerWaalsContact OD2-CA 3.27Å; D41-Y83 WeakPolarHBondContact OD2-CA 3.21Å; D41-Y83 WeakPolarHBondContact OD2-CB 3.21Å; D41-Y83 PolarHBondContact OD2-N 2.86Å; Y83-R104 PolarHBondContact O-NE 2.64Å; Y83-R104 VanDerWaalsContact O-NE 3.16Å; Y83-R104 PolarHBondContact O-NH1 3.37Å; Y83-R104 PolarHBondContact O-NH2 2.85Å; Y83-I105 HydrophobicContact CD1-CB 3.83Å; Y83-I105 HydrophobicContact CD1-CG2 4.03Å; Y83-I105 HydrophobicContact CD2-CD1 4.42Å; Y83-I105 HydrophobicContact CE1-CB 3.69Å; Y83-I105 HydrophobicContact CE1-CD1 4Å; Y83-I105 HydrophobicContact CE1-CG1 4.45Å; Y83-I105 HydrophobicContact CE1-CG2 3.46Å; Y83-I105 VanDerWaalsContact CE1-CG2 3.46Å; Y83-I105 HydrophobicContact CE2-CD1 3.85Å; Y83-I105 HydrophobicContact CG-CB 4.49Å; Y83-N111 PolarHBondContact O-ND2 2.96Å; Y83-R335 WeakPolarHBondContact OH-CD 3.5Å; Y83-R335 WeakPolarHBondContact OH-CG 3.34Å
84	H	97.5	Very high	98.1	Very high	55 Å²	55	40.7 Å²	40.7	26%	0.255	21%	0.212	S	C	.	.	S	Bend	trans	-95.9	-0.8	-176.1	64.8	-93	0	0	0	113.3	E302 H322	H84-E302 IonicContact CD2-OE2 2.7Å; H84-E302 IonicContact NE2-OE2 3.26Å; H84-H322 AromaticContact CD2-CE1 3.44Å; H84-H322 PolarHBondContact CD2-CE1 3.37Å; H84-H322 VanDerWaalsContact CD2-CE1 3.44Å; H84-H322 AromaticContact CD2-ND1 3.33Å; H84-H322 PolarHBondContact CD2-ND1 2.89Å; H84-H322 VanDerWaalsContact CD2-ND1 3.33Å; H84-H322 AromaticContact CE1-CE1 3.87Å; H84-H322 AromaticContact CE1-CG 3.93Å; H84-H322 AromaticContact CE1-ND1 3.71Å; H84-H322 AromaticContact CG-CE1 3.5Å; H84-H322 AromaticContact CG-ND1 3.86Å; H84-H322 AromaticContact ND1-CE1 3.78Å; H84-H322 AromaticContact NE2-CE1 3.7Å; H84-H322 AromaticContact NE2-CG 3.77Å; H84-H322 AromaticContact NE2-ND1 3.26Å; H84-H322 PolarHBondContact NE2-ND1 2.8Å
85	T	97.3	Very high	98.1	Very high	74 Å²	74	42.7 Å²	42.7	45%	0.454	22%	0.219	S	C	.	.	S	Bend	trans	-93.7	-13.6	-167.5	53.4	0	0	0	0	113.4	D41	D41-T85 WeakPolarHBondContact CB-OG1 3.44Å; D41-T85 PolarHBondContact OD2-N 2.86Å; D41-T85 PolarHBondContact OD2-OG1 3.3Å
86	I	97.6	Very high	98.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.203	C	C	.	.			trans	-109.5	142.8	168.9	-164.3	169.3	0	0	0	111.2	L40 D41 T66 I69 L82 N111	L40-I86 HydrophobicContact CB-CD1 4.35Å; L40-I86 HydrophobicContact CB-CG2 4.38Å; D41-I86 HydrophobicContact CB-CB 3.87Å; D41-I86 HydrophobicContact CB-CG2 3.74Å; D41-I86 PolarHBondContact OD2-N 3.4Å; T66-I86 HydrophobicContact CG2-CD1 4.41Å; I69-I86 HydrophobicContact CD1-CD1 4.02Å; L82-I86 HydrophobicContact CB-CG2 3.92Å; L82-I86 HydrophobicContact CD1-CG2 3.9Å; L82-I86 HydrophobicContact CG-CG2 4.42Å; I86-N111 PolarHBondContact O-ND2 3.48Å
87	T	97.9	Very high	98.2	Very high	91 Å²	91	41 Å²	41	56%	0.558	21%	0.207	S	C	*	.			trans	-110	137.1	173.8	-60.9	0	0	0	0	110.2	N111	T87-N111 CarbonylContact C-O 3.59Å; T87-N111 WeakPolarHBondContact CA-O 3.4Å
88	L	98.4	Very high	98	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-117.8	95.3	177.2	-60.6	-176.8	0	0	0	110	L40 T66 L82 D92 L93 F96 I102 N111 V112 D113	L40-L88 HydrophobicContact CD1-CD1 4.18Å; L40-L88 HydrophobicContact CD1-CD2 4.47Å; T66-L88 HydrophobicContact CG2-CD2 3.47Å; T66-L88 VanDerWaalsContact CG2-CD2 3.47Å; L82-L88 HydrophobicContact CD2-CD1 3.68Å; L88-D92 HydrophobicContact CD2-CB 4.27Å; L88-L93 HydrophobicContact CB-CD2 4.1Å; L88-L93 HydrophobicContact CB-CG 4.24Å; L88-L93 HydrophobicContact CD1-CD2 4.16Å; L88-F96 HydrophobicContact CD2-CE2 4.38Å; L88-I102 HydrophobicContact CD1-CD1 3.89Å; L88-N111 PolarHBondContact N-O 3.31Å; L88-V112 HydrophobicContact CB-CG1 4.46Å; L88-V112 HydrophobicContact CB-CG2 4.49Å; L88-D113 PolarHBondContact O-N 3.27Å
89	S	98.2	Very high	98	Very high	46 Å²	46	40 Å²	40	32%	0.322	21%	0.205	S	C	.	.			trans	-73.6	174.5	169.7	70.8	0	0	0	0	111.7	D91 D92 L93	S89-D91 VanDerWaalsContact C-N 3.34Å; S89-D91 PolarHBondContact O-N 3.15Å; S89-D91 PolarHBondContact OG-N 3.46Å; S89-D92 WeakPolarHBondContact CB-OD2 3.36Å; S89-D92 PolarHBondContact N-OD2 2.99Å; S89-D92 WeakPolarHBondContact O-CB 3.39Å; S89-D92 PolarHBondContact O-N 2.88Å; S89-D92 VanDerWaalsContact O-N 3.16Å; S89-D92 VanDerWaalsContact OG-CG 3.26Å; S89-D92 PolarHBondContact OG-N 2.8Å; S89-D92 PolarHBondContact OG-OD2 2.87Å; S89-L93 VanDerWaalsContact O-CG 3.29Å; S89-L93 WeakPolarHBondContact O-CG 3.33Å; S89-L93 PolarHBondContact O-N 2.75Å
90	R	98	Very high	98	Very high	77 Å²	77	44.8 Å²	44.8	29%	0.291	22%	0.223	S	C	.	.	H	α-helix	trans	-51.2	-51.8	169.9	176.1	174.1	-65.6	-91.1	3.2	112.4	D92 L93 E94 A116 E119	R90-D92 PolarHBondContact O-N 2.92Å; R90-L93 PolarHBondContact O-N 3.07Å; R90-E94 HydrophobicContact CG-CG 4.45Å; R90-E94 WeakPolarHBondContact O-CG 3.44Å; R90-E94 PolarHBondContact O-N 2.89Å; R90-A116 HydrophobicContact CB-CB 3.78Å; R90-A116 HydrophobicContact CG-CB 4.05Å; R90-E119 IonicContact CZ-OE2 2.8Å; R90-E119 IonicContact NH1-OE2 3.61Å; R90-E119 PolarHBondContact NH1-OE2 2.91Å; R90-E119 IonicContact NH2-OE1 3.34Å; R90-E119 PolarHBondContact NH2-OE1 3.04Å; R90-E119 IonicContact NH2-OE2 3.47Å; R90-E119 PolarHBondContact NH2-OE2 2.99Å
91	D	98.2	Very high	98	Very high	112 Å²	112	44.9 Å²	44.9	60%	0.599	22%	0.223	S	C	*	.	H	α-helix	trans	-60.2	-30.2	-178.3	-66.3	0.4	0	0	0	111.8	S89 K95	S89-D91 VanDerWaalsContact C-N 3.34Å; S89-D91 PolarHBondContact O-N 3.15Å; S89-D91 PolarHBondContact OG-N 3.46Å; D91-K95 WeakPolarHBondContact O-CE 3.16Å; D91-K95 WeakPolarHBondContact O-CG 3.5Å
92	D	98.4	Very high	98	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.102	22%	0.223	C	C	.	.	H	α-helix	trans	-75	-43.7	175.1	-64.1	-47.9	0	0	0	112.5	T66 L88 S89 R90 E94 K95 F96	T66-D92 WeakPolarHBondContact CB-OD1 3.27Å; T66-D92 HydrophobicContact CG2-CB 3.56Å; T66-D92 WeakPolarHBondContact CG2-OD1 3.39Å; T66-D92 PolarHBondContact OG1-OD1 3.13Å; L88-D92 HydrophobicContact CD2-CB 4.27Å; S89-D92 WeakPolarHBondContact CB-OD2 3.36Å; S89-D92 PolarHBondContact N-OD2 2.99Å; S89-D92 WeakPolarHBondContact O-CB 3.39Å; S89-D92 PolarHBondContact O-N 2.88Å; S89-D92 VanDerWaalsContact O-N 3.16Å; S89-D92 VanDerWaalsContact OG-CG 3.26Å; S89-D92 PolarHBondContact OG-N 2.8Å; S89-D92 PolarHBondContact OG-OD2 2.87Å; R90-D92 PolarHBondContact O-N 2.92Å; D92-E94 VanDerWaalsContact C-N 3.31Å; D92-E94 PolarHBondContact O-N 3.13Å; D92-K95 WeakPolarHBondContact O-CB 3.23Å; D92-K95 PolarHBondContact O-N 3.47Å; D92-K95 IonicContact OD1-NZ 3.33Å; D92-K95 PolarHBondContact OD1-NZ 2.78Å; D92-F96 WeakPolarHBondContact O-CD2 3.41Å
93	L	98.6	Very high	98	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-36.4	179.3	-68.7	165.5	0	0	0	111.7	L88 S89 R90 K95 F96 I102 D113 A116 A117 L120 I122	L88-L93 HydrophobicContact CB-CD2 4.1Å; L88-L93 HydrophobicContact CB-CG 4.24Å; L88-L93 HydrophobicContact CD1-CD2 4.16Å; S89-L93 VanDerWaalsContact O-CG 3.29Å; S89-L93 WeakPolarHBondContact O-CG 3.33Å; S89-L93 PolarHBondContact O-N 2.75Å; R90-L93 PolarHBondContact O-N 3.07Å; L93-K95 PolarHBondContact O-N 2.84Å; L93-F96 PolarHBondContact O-N 2.81Å; L93-I102 HydrophobicContact CD2-CD1 3.48Å; L93-I102 VanDerWaalsContact CD2-CD1 3.48Å; L93-D113 HydrophobicContact CD1-CB 4.29Å; L93-A116 HydrophobicContact CD1-CB 4.17Å; L93-A117 HydrophobicContact CD1-CB 3.93Å; L93-L120 HydrophobicContact CB-CD1 3.55Å; L93-I122 HydrophobicContact CD2-CD1 4.31Å
94	E	98.2	Very high	98	Very high	94 Å²	94	43 Å²	43	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.7	177.4	-73	-179.5	-177.3	0	0	113.9	R90 D92 F96 K97 L120	R90-E94 HydrophobicContact CG-CG 4.45Å; R90-E94 WeakPolarHBondContact O-CG 3.44Å; R90-E94 PolarHBondContact O-N 2.89Å; D92-E94 VanDerWaalsContact C-N 3.31Å; D92-E94 PolarHBondContact O-N 3.13Å; E94-F96 VanDerWaalsContact C-N 3.27Å; E94-F96 PolarHBondContact O-N 2.86Å; E94-K97 PolarHBondContact O-NZ 3.15Å; E94-L120 HydrophobicContact CG-CD1 3.98Å; E94-L120 HydrophobicContact CG-CD2 4.12Å
95	K	98.3	Very high	98	Very high	68 Å²	68	40.8 Å²	40.8	30%	0.296	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.4	174.3	-62.6	166.3	-171.7	161	0	111.3	T66 L74 D91 D92 L93 K97	T66-K95 PolarHBondContact OG1-NZ 2.87Å; L74-K95 HydrophobicContact CD1-CB 4.46Å; L74-K95 HydrophobicContact CD2-CB 4.12Å; D91-K95 WeakPolarHBondContact O-CE 3.16Å; D91-K95 WeakPolarHBondContact O-CG 3.5Å; D92-K95 WeakPolarHBondContact O-CB 3.23Å; D92-K95 PolarHBondContact O-N 3.47Å; D92-K95 IonicContact OD1-NZ 3.33Å; D92-K95 PolarHBondContact OD1-NZ 2.78Å; L93-K95 PolarHBondContact O-N 2.84Å; K95-K97 WeakPolarHBondContact O-CE 3.46Å; K95-K97 PolarHBondContact O-N 2.83Å
96	F	98.3	Very high	98	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.039	19%	0.194	C	C	.	.			trans	-79.4	116.3	-179.4	-69.4	-89.3	0	0	0	112.2	L40 I69 V73 L74 L88 D92 L93 E94 L99	L40-F96 HydrophobicContact CD1-CZ 4.24Å; I69-F96 HydrophobicContact CD1-CZ 3.88Å; V73-F96 HydrophobicContact CG1-CE1 4.38Å; L74-F96 HydrophobicContact CD2-CD1 4.03Å; L74-F96 HydrophobicContact CD2-CD2 4.23Å; L74-F96 HydrophobicContact CD2-CE1 3.78Å; L74-F96 HydrophobicContact CD2-CE2 3.98Å; L74-F96 HydrophobicContact CD2-CG 4.27Å; L74-F96 HydrophobicContact CD2-CZ 3.76Å; L74-F96 CarbonylContact O-C 2.98Å; L74-F96 VanDerWaalsContact O-CA 3.32Å; L74-F96 WeakPolarHBondContact O-CA 3.45Å; L88-F96 HydrophobicContact CD2-CE2 4.38Å; D92-F96 WeakPolarHBondContact O-CD2 3.41Å; L93-F96 PolarHBondContact O-N 2.81Å; E94-F96 VanDerWaalsContact C-N 3.27Å; E94-F96 PolarHBondContact O-N 2.86Å; F96-L99 HydrophobicContact CB-CB 3.58Å; F96-L99 HydrophobicContact CB-CD2 4Å; F96-L99 HydrophobicContact CB-CG 4.45Å; F96-L99 HydrophobicContact CD1-CB 4.07Å; F96-L99 HydrophobicContact CD1-CD2 3.82Å; F96-L99 HydrophobicContact CD1-CG 4.43Å; F96-L99 HydrophobicContact CD2-CD2 4.02Å; F96-L99 HydrophobicContact CE1-CD2 4.23Å; F96-L99 HydrophobicContact CE2-CD2 4.43Å; F96-L99 HydrophobicContact CG-CB 4.03Å; F96-L99 HydrophobicContact CG-CD2 3.68Å; F96-L99 HydrophobicContact CG-CG 4.48Å
97	K	96.9	Very high	98	Very high	132 Å²	132	40.8 Å²	40.8	57%	0.574	21%	0.212	S	C	*	.	S	Bend	trans	-88.7	-30.7	-176.4	-51.6	-52.4	175	-167.3	0	113.1	L74 E94 K95	L74-K97 PolarHBondContact O-N 3.01Å; E94-K97 PolarHBondContact O-NZ 3.15Å; K95-K97 WeakPolarHBondContact O-CE 3.46Å; K95-K97 PolarHBondContact O-N 2.83Å
98	G	94.5	Very high	97.8	Very high	19 Å²	19	36.9 Å²	36.9	20%	0.196	19%	0.19	C	C	.	.	S	Bend	trans	-108.6	-7.4	-175.6	0	0	0	0	0	115.9	R23 A77 R100	R23-G98 PolarHBondContact NH1-O 3.13Å; A77-G98 CarbonylContact O-C 3.58Å; G98-R100 PolarHBondContact O-N 3Å
99	L	98.3	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-72.6	123.3	-166	-174.4	64.7	0	0	0	112.2	R23 A77 A80 F96 V101 I102 I122	R23-L99 PolarHBondContact NH1-O 3.23Å; R23-L99 PolarHBondContact NH2-O 3.18Å; A77-L99 WeakPolarHBondContact O-CA 3.27Å; A77-L99 PolarHBondContact O-N 2.95Å; A80-L99 HydrophobicContact CB-CD1 3.72Å; A80-L99 HydrophobicContact CB-CD2 4.37Å; F96-L99 HydrophobicContact CB-CB 3.58Å; F96-L99 HydrophobicContact CB-CD2 4Å; F96-L99 HydrophobicContact CB-CG 4.45Å; F96-L99 HydrophobicContact CD1-CB 4.07Å; F96-L99 HydrophobicContact CD1-CD2 3.82Å; F96-L99 HydrophobicContact CD1-CG 4.43Å; F96-L99 HydrophobicContact CD2-CD2 4.02Å; F96-L99 HydrophobicContact CE1-CD2 4.23Å; F96-L99 HydrophobicContact CE2-CD2 4.43Å; F96-L99 HydrophobicContact CG-CB 4.03Å; F96-L99 HydrophobicContact CG-CD2 3.68Å; F96-L99 HydrophobicContact CG-CG 4.48Å; L99-V101 WeakPolarHBondContact CD1-O 3.2Å; L99-I102 HydrophobicContact CD2-CD1 3.86Å; L99-I102 HydrophobicContact CD2-CG1 3.7Å; L99-I102 HydrophobicContact CG-CG1 4.29Å; L99-I122 HydrophobicContact CB-CD1 4.39Å; L99-I122 HydrophobicContact CD2-CD1 4.31Å; L99-I122 HydrophobicContact CD2-CG2 4.38Å; L99-I122 HydrophobicContact CG-CD1 4.46Å; L99-I122 HydrophobicContact CG-CG2 4.18Å; L99-I122 WeakPolarHBondContact O-CG1 3.23Å
100	R	97.9	Very high	97.7	Very high	100 Å²	100	40.9 Å²	40.9	38%	0.377	21%	0.205	S	C	.	.			trans	-111.5	-26.7	-177	-65.5	-176.2	68.6	-164.2	-2.6	113.1	V78 G98 A123 I350	V78-R100 HydrophobicContact CG1-CB 4.37Å; V78-R100 HydrophobicContact CG1-CG 4.22Å; V78-R100 PolarHBondContact O-N 3.13Å; G98-R100 PolarHBondContact O-N 3Å; R100-A123 PolarHBondContact O-N 2.83Å; R100-I350 HydrophobicContact CB-CD1 4Å
101	V	98.7	Very high	97.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.8	-179	66.2	0	0	0	0	110.6	V78 A79 A80 L99 V103 A123 A345 I350	V78-V101 PolarHBondContact O-N 3.43Å; A79-V101 CarbonylContact C-O 3.59Å; A79-V101 VanDerWaalsContact CA-O 3.29Å; A79-V101 WeakPolarHBondContact CA-O 3.47Å; A79-V101 HydrophobicContact CB-CG1 3.4Å; A80-V101 PolarHBondContact N-O 2.93Å; L99-V101 WeakPolarHBondContact CD1-O 3.2Å; V101-V103 HydrophobicContact CG2-CG2 3.94Å; V101-A123 CarbonylContact C-O 3.51Å; V101-A123 VanDerWaalsContact CA-O 3.28Å; V101-A123 WeakPolarHBondContact CA-O 3.3Å; V101-A123 HydrophobicContact CG2-CB 4.37Å; V101-A345 HydrophobicContact CB-CB 4.1Å; V101-A345 HydrophobicContact CG1-CB 3.7Å; V101-A345 HydrophobicContact CG2-CB 4.14Å; V101-I350 HydrophobicContact CB-CD1 4.27Å
102	I	98.9	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.6	167.9	-69.5	166.3	0	0	0	106.6	A80 L82 L88 L93 L99 V112 I122 A123 V124 C125	A80-I102 HydrophobicContact CB-CG1 4.35Å; A80-I102 CarbonylContact O-C 3.53Å; A80-I102 WeakPolarHBondContact O-CA 3.36Å; L82-I102 HydrophobicContact CD2-CG2 3.46Å; L82-I102 VanDerWaalsContact CD2-CG2 3.46Å; L82-I102 HydrophobicContact CG-CG2 4.34Å; L88-I102 HydrophobicContact CD1-CD1 3.89Å; L93-I102 HydrophobicContact CD2-CD1 3.48Å; L93-I102 VanDerWaalsContact CD2-CD1 3.48Å; L99-I102 HydrophobicContact CD2-CD1 3.86Å; L99-I102 HydrophobicContact CD2-CG1 3.7Å; L99-I102 HydrophobicContact CG-CG1 4.29Å; I102-V112 HydrophobicContact CD1-CG1 4.2Å; I102-V112 HydrophobicContact CG2-CG2 4.41Å; I102-I122 HydrophobicContact CD1-CG2 3.86Å; I102-I122 HydrophobicContact CG1-CG2 3.93Å; I102-A123 PolarHBondContact N-O 2.84Å; I102-V124 HydrophobicContact CB-CG2 4.38Å; I102-V124 HydrophobicContact CG2-CG1 4.41Å; I102-V124 CarbonylContact O-C 3.57Å; I102-V124 WeakPolarHBondContact O-CA 3.14Å; I102-C125 PolarHBondContact O-N 3.5Å
103	V	98.9	Very high	97.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.4	174	-173.9	0	0	0	0	108.9	A80 L81 L82 V101 I105 C125 A338 E341 V342	A80-V103 PolarHBondContact O-N 3.23Å; L81-V103 WeakPolarHBondContact CA-O 3.45Å; L81-V103 HydrophobicContact CD2-CB 3.91Å; L81-V103 HydrophobicContact CD2-CG1 4.27Å; L82-V103 PolarHBondContact N-O 3.38Å; V101-V103 HydrophobicContact CG2-CG2 3.94Å; V103-I105 PolarHBondContact O-N 3.13Å; V103-C125 HydrophobicContact CG1-CB 4.31Å; V103-C125 HydrophobicContact CG2-CB 4.21Å; V103-A338 HydrophobicContact CG1-CB 3.77Å; V103-E341 HydrophobicContact CG1-CB 4.16Å; V103-E341 HydrophobicContact CG1-CG 4.38Å; V103-E341 HydrophobicContact CG2-CB 4.29Å; V103-E341 HydrophobicContact CG2-CG 4.15Å; V103-V342 HydrophobicContact CB-CG2 4.26Å; V103-V342 HydrophobicContact CG2-CG2 3.68Å
104	R	98.7	Very high	97.6	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.2	171.2	-77.2	-67	-68.1	92.3	2.2	109.7	L82 Y83 G106 G108 F109 N111 V112 C125 N126 V127	L82-R104 HydrophobicContact CD1-CG 4.5Å; L82-R104 WeakPolarHBondContact O-CA 3.37Å; L82-R104 PolarHBondContact O-NH1 2.87Å; Y83-R104 PolarHBondContact O-NE 2.64Å; Y83-R104 VanDerWaalsContact O-NE 3.16Å; Y83-R104 PolarHBondContact O-NH1 3.37Å; Y83-R104 PolarHBondContact O-NH2 2.85Å; R104-G106 PolarHBondContact O-N 3.06Å; R104-G106 VanDerWaalsContact O-N 3.09Å; R104-G108 PolarHBondContact NE-O 3.04Å; R104-G108 PolarHBondContact NH2-O 3.01Å; R104-F109 HydrophobicContact CG-CB 4.23Å; R104-N111 WeakPolarHBondContact CD-OD1 3.48Å; R104-N111 PolarHBondContact NE-ND2 3.27Å; R104-N111 PolarHBondContact NE-OD1 2.99Å; R104-V112 HydrophobicContact CG-CG2 4.45Å; R104-C125 PolarHBondContact N-O 2.98Å; R104-N126 HydrophobicContact CB-CB 4.32Å; R104-V127 PolarHBondContact O-N 3.31Å
105	I	98.7	Very high	97.6	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.046	18%	0.176	C	C	.	.	S	Bend	trans	-75.9	94.6	167.3	-49.8	174.1	0	0	0	106.6	L39 L81 L82 Y83 V103 A334 R335 A338	L39-I105 HydrophobicContact CD1-CD1 4.04Å; L81-I105 HydrophobicContact CB-CD1 4.18Å; L81-I105 HydrophobicContact CD2-CD1 4.25Å; L81-I105 HydrophobicContact CD2-CG1 4.08Å; L82-I105 PolarHBondContact O-N 3.05Å; Y83-I105 HydrophobicContact CD1-CB 3.83Å; Y83-I105 HydrophobicContact CD1-CG2 4.03Å; Y83-I105 HydrophobicContact CD2-CD1 4.42Å; Y83-I105 HydrophobicContact CE1-CB 3.69Å; Y83-I105 HydrophobicContact CE1-CD1 4Å; Y83-I105 HydrophobicContact CE1-CG1 4.45Å; Y83-I105 HydrophobicContact CE1-CG2 3.46Å; Y83-I105 VanDerWaalsContact CE1-CG2 3.46Å; Y83-I105 HydrophobicContact CE2-CD1 3.85Å; Y83-I105 HydrophobicContact CG-CB 4.49Å; V103-I105 PolarHBondContact O-N 3.13Å; I105-A334 HydrophobicContact CG2-CB 3.98Å; I105-R335 HydrophobicContact CG2-CG 4.09Å; I105-A338 HydrophobicContact CG1-CB 3.75Å
106	G	97	Very high	97.5	Very high	20 Å²	20	31 Å²	31	21%	0.206	16%	0.162	C	C	.	.	S	Bend	trans	131.7	173.9	-172.5	0	0	0	0	0	112.6	R104 N126 V127	R104-G106 PolarHBondContact O-N 3.06Å; R104-G106 VanDerWaalsContact O-N 3.09Å; G106-N126 WeakPolarHBondContact O-CB 3.23Å; G106-V127 CarbonylContact C-O 3.55Å; G106-V127 PolarHBondContact O-N 2.83Å
107	S	96.3	Very high	97.5	Very high	55 Å²	55	30.6 Å²	30.6	39%	0.385	16%	0.16	S	C	.	.	S	Bend	trans	-84.9	-45.5	-172	58.3	0	0	0	0	114	N126 V127	S107-N126 PolarHBondContact O-ND2 3.25Å; S107-V127 PolarHBondContact N-O 3.35Å
108	G	95.1	Very high	97.6	Very high	8 Å²	8	24.5 Å²	24.5	8%	0.082	13%	0.134	C	C	.	.			trans	-81.7	148.1	-179.3	0	0	0	0	0	113	R104	R104-G108 PolarHBondContact NE-O 3.04Å; R104-G108 PolarHBondContact NH2-O 3.01Å
109	F	97.2	Very high	97.6	Very high	66 Å²	66	29.2 Å²	29.2	29%	0.289	15%	0.151	S	C	.	.			trans	-134.5	15.8	-171.4	52.4	-97.9	0	0	0	112.1	R104 N111 V112 V114 N126 V358	R104-F109 HydrophobicContact CG-CB 4.23Å; F109-N111 PolarHBondContact O-N 2.94Å; F109-V112 PolarHBondContact O-N 2.86Å; F109-V112 VanDerWaalsContact O-N 3.11Å; F109-V114 HydrophobicContact CD2-CG1 3.85Å; F109-N126 HydrophobicContact CD1-CB 4.5Å; F109-V358 HydrophobicContact CD1-CB 4.32Å; F109-V358 HydrophobicContact CD1-CG1 3.97Å; F109-V358 HydrophobicContact CD1-CG2 4.21Å; F109-V358 HydrophobicContact CD2-CG2 4.22Å; F109-V358 HydrophobicContact CE1-CB 4.2Å; F109-V358 HydrophobicContact CE1-CG1 3.94Å; F109-V358 HydrophobicContact CG-CG2 4.05Å; F109-V358 HydrophobicContact CZ-CB 4.37Å
110	D	96.9	Very high	97.6	Very high	65 Å²	65	32 Å²	32	35%	0.348	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.3	178.1	48.3	-68.2	0	0	0	113.4	V112 L246 R273	D110-V112 PolarHBondContact O-N 3.11Å; D110-L246 HydrophobicContact CB-CB 4.09Å; D110-L246 HydrophobicContact CB-CD2 4.39Å; D110-L246 HydrophobicContact CB-CG 4.49Å; D110-R273 IonicContact OD1-CZ 3.97Å; D110-R273 IonicContact OD1-NE 3.62Å; D110-R273 PolarHBondContact OD1-NE 2.89Å; D110-R273 IonicContact OD1-NH2 2.7Å; D110-R273 WeakPolarHBondContact OD2-CD 3.25Å; D110-R273 IonicContact OD2-NE 3.38Å; D110-R273 PolarHBondContact OD2-NE 3.03Å
111	N	97.8	Very high	97.5	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.064	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5.1	174.2	66.2	-46.3	0	0	0	114.1	L82 Y83 I86 T87 L88 R104 F109	L82-N111 VanDerWaalsContact CD1-ND2 3.35Å; L82-N111 WeakPolarHBondContact CD1-ND2 3.43Å; Y83-N111 PolarHBondContact O-ND2 2.96Å; I86-N111 PolarHBondContact O-ND2 3.48Å; T87-N111 CarbonylContact C-O 3.59Å; T87-N111 WeakPolarHBondContact CA-O 3.4Å; L88-N111 PolarHBondContact N-O 3.31Å; R104-N111 WeakPolarHBondContact CD-OD1 3.48Å; R104-N111 PolarHBondContact NE-ND2 3.27Å; R104-N111 PolarHBondContact NE-OD1 2.99Å; F109-N111 PolarHBondContact O-N 2.94Å
112	V	98.5	Very high	97.5	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.042	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-128.2	128.3	175	-177.7	0	0	0	0	108.9	L82 L88 I102 R104 F109 D110 V114 V124	L82-V112 HydrophobicContact CD1-CG2 4.04Å; L88-V112 HydrophobicContact CB-CG1 4.46Å; L88-V112 HydrophobicContact CB-CG2 4.49Å; I102-V112 HydrophobicContact CD1-CG1 4.2Å; I102-V112 HydrophobicContact CG2-CG2 4.41Å; R104-V112 HydrophobicContact CG-CG2 4.45Å; F109-V112 PolarHBondContact O-N 2.86Å; F109-V112 VanDerWaalsContact O-N 3.11Å; D110-V112 PolarHBondContact O-N 3.11Å; V112-V114 VanDerWaalsContact C-N 3.3Å; V112-V114 PolarHBondContact O-N 3.07Å; V112-V124 HydrophobicContact CG1-CG1 4.4Å; V112-V124 HydrophobicContact CG1-CG2 3.97Å
113	D	98.1	Very high	97.5	Very high	58 Å²	58	29.2 Å²	29.2	31%	0.31	17%	0.168	S	C	.	.			trans	-70.1	89.2	170.4	-173.1	-20.4	0	0	0	109.9	L88 L93 K115 A116 A117	L88-D113 PolarHBondContact O-N 3.27Å; L93-D113 HydrophobicContact CD1-CB 4.29Å; D113-K115 PolarHBondContact O-N 2.81Å; D113-K115 PolarHBondContact OD1-N 2.86Å; D113-A116 HydrophobicContact CB-CB 3.95Å; D113-A116 PolarHBondContact O-N 2.76Å; D113-A116 WeakPolarHBondContact OD1-CB 3.38Å; D113-A116 PolarHBondContact OD1-N 3.04Å; D113-A116 WeakPolarHBondContact OD2-CB 3.33Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.4Å; D113-A117 PolarHBondContact O-N 3.48Å
114	V	97.7	Very high	97.5	Very high	21 Å²	21	29.2 Å²	29.2	13%	0.127	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-24.1	-175.3	-65.6	0	0	0	0	113.7	F109 V112 A118 V124 V358 N359 Y362	F109-V114 HydrophobicContact CD2-CG1 3.85Å; V112-V114 VanDerWaalsContact C-N 3.3Å; V112-V114 PolarHBondContact O-N 3.07Å; V114-A118 PolarHBondContact O-N 2.82Å; V114-V124 HydrophobicContact CG1-CB 4.15Å; V114-V124 HydrophobicContact CG1-CG1 4.05Å; V114-V124 HydrophobicContact CG1-CG2 4.22Å; V114-V358 HydrophobicContact CG1-CG2 4.16Å; V114-N359 HydrophobicContact CB-CB 4.01Å; V114-N359 PolarHBondContact O-ND2 2.86Å; V114-N359 VanDerWaalsContact O-ND2 3.1Å; V114-Y362 HydrophobicContact CG2-CE2 4.5Å
115	K	96.8	Very high	97.5	Very high	66 Å²	66	29.1 Å²	29.1	29%	0.287	17%	0.168	S	C	.	.	H	α-helix	trans	-77.8	-50.4	177.1	-67.8	178.2	-177.3	169.3	0	109.8	D113 A117 A118 E119 E248 Y362	D113-K115 PolarHBondContact O-N 2.81Å; D113-K115 PolarHBondContact OD1-N 2.86Å; K115-A117 VanDerWaalsContact C-N 3.3Å; K115-A117 PolarHBondContact O-N 3.05Å; K115-A118 WeakPolarHBondContact O-CB 3.38Å; K115-A118 PolarHBondContact O-N 3.06Å; K115-A118 VanDerWaalsContact O-N 3.11Å; K115-E119 PolarHBondContact O-N 3.37Å; K115-E119 VanDerWaalsContact O-N 3.11Å; K115-E248 WeakPolarHBondContact CE-OE1 3.45Å; K115-E248 IonicContact NZ-OE1 3.45Å; K115-E248 PolarHBondContact NZ-OE1 2.98Å; K115-E248 IonicContact NZ-OE2 3.35Å; K115-E248 PolarHBondContact NZ-OE2 2.95Å; K115-Y362 HydrophobicContact CD-CE1 4.32Å; K115-Y362 WeakPolarHBondContact CE-OH 3.21Å; K115-Y362 HydrophobicContact CG-CD1 4.19Å; K115-Y362 HydrophobicContact CG-CD2 4.47Å; K115-Y362 HydrophobicContact CG-CE1 3.87Å; K115-Y362 HydrophobicContact CG-CE2 4.18Å; K115-Y362 HydrophobicContact CG-CG 4.48Å
116	A	97.5	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-41.2	174	0	0	0	0	0	111.8	R90 L93 D113 A118 E119 L120	R90-A116 HydrophobicContact CB-CB 3.78Å; R90-A116 HydrophobicContact CG-CB 4.05Å; L93-A116 HydrophobicContact CD1-CB 4.17Å; D113-A116 HydrophobicContact CB-CB 3.95Å; D113-A116 PolarHBondContact O-N 2.76Å; D113-A116 WeakPolarHBondContact OD1-CB 3.38Å; D113-A116 PolarHBondContact OD1-N 3.04Å; D113-A116 WeakPolarHBondContact OD2-CB 3.33Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.32Å; A116-E119 PolarHBondContact O-N 3.1Å; A116-L120 WeakPolarHBondContact O-CG 3.49Å; A116-L120 PolarHBondContact O-N 3.25Å
117	A	98.1	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.8	-45	174.5	0	0	0	0	0	111.4	L93 D113 K115 L120 G121 I122 V124	L93-A117 HydrophobicContact CD1-CB 3.93Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.4Å; D113-A117 PolarHBondContact O-N 3.48Å; K115-A117 VanDerWaalsContact C-N 3.3Å; K115-A117 PolarHBondContact O-N 3.05Å; A117-L120 CarbonylContact O-C 3.56Å; A117-L120 PolarHBondContact O-N 3.33Å; A117-G121 PolarHBondContact O-N 3.18Å; A117-I122 CarbonylContact C-O 3.57Å; A117-I122 HydrophobicContact CB-CB 4.14Å; A117-I122 WeakPolarHBondContact O-CA 3.48Å; A117-I122 VanDerWaalsContact O-CB 3.31Å; A117-I122 WeakPolarHBondContact O-CB 3.34Å; A117-I122 PolarHBondContact O-N 3.02Å; A117-V124 HydrophobicContact CB-CG2 3.66Å
118	A	97.3	Very high	97.5	Very high	3 Å²	3	27 Å²	27	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-41.3	179.8	0	0	0	0	0	113.1	V114 K115 A116 L120 G121 L363	V114-A118 PolarHBondContact O-N 2.82Å; K115-A118 WeakPolarHBondContact O-CB 3.38Å; K115-A118 PolarHBondContact O-N 3.06Å; K115-A118 VanDerWaalsContact O-N 3.11Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.32Å; A118-L120 PolarHBondContact O-N 2.78Å; A118-G121 PolarHBondContact O-N 2.87Å; A118-L363 HydrophobicContact CB-CD2 4.07Å; A118-L363 HydrophobicContact CB-CG 4.07Å
119	E	96.4	Very high	97.5	Very high	119 Å²	119	29.3 Å²	29.3	56%	0.556	17%	0.167	S	C	*	.	H	α-helix	trans	-61.6	-32.8	174.9	-69	171.2	-155	0	0	112.4	R90 K115 A116 G121	R90-E119 IonicContact CZ-OE2 2.8Å; R90-E119 IonicContact NH1-OE2 3.61Å; R90-E119 PolarHBondContact NH1-OE2 2.91Å; R90-E119 IonicContact NH2-OE1 3.34Å; R90-E119 PolarHBondContact NH2-OE1 3.04Å; R90-E119 IonicContact NH2-OE2 3.47Å; R90-E119 PolarHBondContact NH2-OE2 2.99Å; K115-E119 PolarHBondContact O-N 3.37Å; K115-E119 VanDerWaalsContact O-N 3.11Å; A116-E119 PolarHBondContact O-N 3.1Å; E119-G121 PolarHBondContact O-N 3.06Å
120	L	96.9	Very high	97.1	Very high	58 Å²	58	26.5 Å²	26.5	30%	0.304	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	3.9	174.5	-63.3	171.4	0	0	0	113.3	L93 E94 A116 A117 A118 I122	L93-L120 HydrophobicContact CB-CD1 3.55Å; E94-L120 HydrophobicContact CG-CD1 3.98Å; E94-L120 HydrophobicContact CG-CD2 4.12Å; A116-L120 WeakPolarHBondContact O-CG 3.49Å; A116-L120 PolarHBondContact O-N 3.25Å; A117-L120 CarbonylContact O-C 3.56Å; A117-L120 PolarHBondContact O-N 3.33Å; A118-L120 PolarHBondContact O-N 2.78Å; L120-I122 VanDerWaalsContact C-N 3.33Å; L120-I122 HydrophobicContact CB-CD1 4.03Å; L120-I122 HydrophobicContact CB-CG1 3.99Å
121	G	96.9	Very high	97.2	Very high	43 Å²	43	24.3 Å²	24.3	44%	0.443	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	24	-179.2	0	0	0	0	0	114.2	A117 A118 E119	A117-G121 PolarHBondContact O-N 3.18Å; A118-G121 PolarHBondContact O-N 2.87Å; E119-G121 PolarHBondContact O-N 3.06Å
122	I	98.6	Very high	97.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.15	C	C	.	.			trans	-102.5	118.3	-178.8	-47.1	-178.9	0	0	0	109.2	L93 L99 I102 A117 L120 N359	L93-I122 HydrophobicContact CD2-CD1 4.31Å; L99-I122 HydrophobicContact CB-CD1 4.39Å; L99-I122 HydrophobicContact CD2-CD1 4.31Å; L99-I122 HydrophobicContact CD2-CG2 4.38Å; L99-I122 HydrophobicContact CG-CD1 4.46Å; L99-I122 HydrophobicContact CG-CG2 4.18Å; L99-I122 WeakPolarHBondContact O-CG1 3.23Å; I102-I122 HydrophobicContact CD1-CG2 3.86Å; I102-I122 HydrophobicContact CG1-CG2 3.93Å; A117-I122 CarbonylContact C-O 3.57Å; A117-I122 HydrophobicContact CB-CB 4.14Å; A117-I122 WeakPolarHBondContact O-CA 3.48Å; A117-I122 VanDerWaalsContact O-CB 3.31Å; A117-I122 WeakPolarHBondContact O-CB 3.34Å; A117-I122 PolarHBondContact O-N 3.02Å; L120-I122 VanDerWaalsContact C-N 3.33Å; L120-I122 HydrophobicContact CB-CD1 4.03Å; L120-I122 HydrophobicContact CB-CG1 3.99Å; I122-N359 PolarHBondContact O-ND2 2.83Å
123	A	98.6	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	139.8	171.4	0	0	0	0	0	111.2	R100 V101 I102 I350 L354 L363	R100-A123 PolarHBondContact O-N 2.83Å; V101-A123 CarbonylContact C-O 3.51Å; V101-A123 VanDerWaalsContact CA-O 3.28Å; V101-A123 WeakPolarHBondContact CA-O 3.3Å; V101-A123 HydrophobicContact CG2-CB 4.37Å; I102-A123 PolarHBondContact N-O 2.84Å; A123-I350 HydrophobicContact CB-CG2 3.67Å; A123-L354 HydrophobicContact CB-CD1 3.52Å; A123-L363 HydrophobicContact CB-CD1 3.8Å
124	V	98.8	Very high	97.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.8	172.7	-174.3	0	0	0	0	108.2	I102 V112 V114 A117 C357 V358 N359	I102-V124 HydrophobicContact CB-CG2 4.38Å; I102-V124 HydrophobicContact CG2-CG1 4.41Å; I102-V124 CarbonylContact O-C 3.57Å; I102-V124 WeakPolarHBondContact O-CA 3.14Å; V112-V124 HydrophobicContact CG1-CG1 4.4Å; V112-V124 HydrophobicContact CG1-CG2 3.97Å; V114-V124 HydrophobicContact CG1-CB 4.15Å; V114-V124 HydrophobicContact CG1-CG1 4.05Å; V114-V124 HydrophobicContact CG1-CG2 4.22Å; A117-V124 HydrophobicContact CB-CG2 3.66Å; V124-C357 CarbonylContact O-C 3.59Å; V124-C357 WeakPolarHBondContact O-CA 3.41Å; V124-V358 HydrophobicContact CB-CG2 3.98Å; V124-V358 HydrophobicContact CG1-CG2 3.86Å; V124-V358 WeakPolarHBondContact O-CG2 3.44Å; V124-V358 PolarHBondContact O-N 2.89Å; V124-N359 PolarHBondContact N-OD1 3.48Å
125	C	98.8	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	159.6	173.8	-63.1	0	0	0	0	111.2	I102 V103 R104 E341 N356	I102-C125 PolarHBondContact O-N 3.5Å; V103-C125 HydrophobicContact CG1-CB 4.31Å; V103-C125 HydrophobicContact CG2-CB 4.21Å; R104-C125 PolarHBondContact N-O 2.98Å; C125-E341 HydrophobicContact CB-CG 3.79Å; C125-E341 PolarHBondContact SG-OE1 3.16Å; C125-N356 WeakPolarHBondContact CA-O 3.29Å; C125-N356 WeakPolarHBondContact CB-O 3.47Å
126	N	98.4	Very high	97.4	Very high	17 Å²	17	26 Å²	26	9%	0.091	15%	0.153	C	C	.	.			trans	-131	175.6	171.8	71.8	-12.1	0	0	0	112	R104 G106 S107 F109 P128 N356 V358	R104-N126 HydrophobicContact CB-CB 4.32Å; G106-N126 WeakPolarHBondContact O-CB 3.23Å; S107-N126 PolarHBondContact O-ND2 3.25Å; F109-N126 HydrophobicContact CD1-CB 4.5Å; N126-P128 WeakPolarHBondContact O-CD 3.1Å; N126-N356 PolarHBondContact N-O 3.46Å; N126-N356 WeakPolarHBondContact O-CB 3.25Å; N126-V358 HydrophobicContact CB-CG1 4.22Å
127	V	98.4	Very high	97.5	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.042	17%	0.174	C	C	.	.			trans	-117.9	88.9	172	-174.4	0	0	0	0	109.1	R104 G106 S107 A129 A130 E337 A338	R104-V127 PolarHBondContact O-N 3.31Å; G106-V127 CarbonylContact C-O 3.55Å; G106-V127 PolarHBondContact O-N 2.83Å; S107-V127 PolarHBondContact N-O 3.35Å; V127-A129 PolarHBondContact O-N 3.14Å; V127-A130 HydrophobicContact CG1-CB 3.83Å; V127-E337 HydrophobicContact CG1-CB 3.85Å; V127-E337 HydrophobicContact CG1-CG 3.94Å; V127-E337 HydrophobicContact CG2-CB 4.23Å; V127-E337 HydrophobicContact CG2-CG 4.25Å; V127-A338 HydrophobicContact CG2-CB 3.99Å
128	P	95.2	Very high	97.5	Very high	15 Å²	15	31.6 Å²	31.6	10%	0.097	19%	0.185	C	C	.	.			trans	-82.7	-9.8	-164.5	31.5	-36.6	0	0	0	115.2	N126 R191 N356	N126-P128 WeakPolarHBondContact O-CD 3.1Å; P128-R191 WeakPolarHBondContact O-CD 3.41Å; P128-N356 WeakPolarHBondContact CD-ND2 3.02Å
129	A	93.8	Very high	97.6	Very high	58 Å²	58	31.5 Å²	31.5	48%	0.479	18%	0.183	S	C	.	.	S	Bend	trans	-110.7	-20.9	-168.6	0	0	0	0	0	114.8	V127 S131 V132	V127-A129 PolarHBondContact O-N 3.14Å; A129-S131 VanDerWaalsContact C-N 3.28Å; A129-S131 PolarHBondContact O-N 2.94Å; A129-S131 VanDerWaalsContact O-N 3.13Å; A129-V132 PolarHBondContact O-N 3.42Å
130	A	90.3	Very high	97.7	Very high	7 Å²	7	26.6 Å²	26.6	6%	0.058	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.4	-162.2	0	0	0	0	0	115.7	V127 A330 E333 A334	V127-A130 HydrophobicContact CG1-CB 3.83Å; A130-A330 WeakPolarHBondContact O-CB 3.34Å; A130-E333 HydrophobicContact CB-CB 4.46Å; A130-E333 HydrophobicContact CB-CG 4.32Å; A130-A334 HydrophobicContact CB-CB 3.66Å
131	S	97.4	Very high	97.8	Very high	18 Å²	18	27 Å²	27	13%	0.126	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	24.7	-176.1	71.9	0	0	0	0	113.2	A129 E133 E134 T135 W325	A129-S131 VanDerWaalsContact C-N 3.28Å; A129-S131 PolarHBondContact O-N 2.94Å; A129-S131 VanDerWaalsContact O-N 3.13Å; S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 PolarHBondContact O-N 3.39Å; S131-E134 WeakPolarHBondContact CA-OE2 3.47Å; S131-T135 WeakPolarHBondContact O-CB 3.38Å; S131-T135 PolarHBondContact O-N 2.85Å; S131-T135 PolarHBondContact O-OG1 3.4Å; S131-W325 VanDerWaalsContact CB-O 3.29Å; S131-W325 WeakPolarHBondContact CB-O 3.45Å
132	V	98.7	Very high	97.9	Very high	26 Å²	26	25.3 Å²	25.3	16%	0.158	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-43.7	-175.5	170.7	0	0	0	0	111.1	A129 A136 R191 V192 A195	A129-V132 PolarHBondContact O-N 3.42Å; V132-A136 WeakPolarHBondContact O-CB 3.36Å; V132-A136 PolarHBondContact O-N 3.47Å; V132-A136 VanDerWaalsContact O-N 3.16Å; V132-R191 HydrophobicContact CG1-CB 3.85Å; V132-R191 HydrophobicContact CG2-CB 3.77Å; V132-R191 HydrophobicContact CG2-CG 4.48Å; V132-V192 HydrophobicContact CG1-CG2 4.43Å; V132-A195 HydrophobicContact CG1-CB 4.26Å
133	E	98.8	Very high	97.9	Very high	111 Å²	111	25.2 Å²	25.2	52%	0.519	15%	0.148	S	C	.	.	H	α-helix	trans	-76.9	-42.2	-177.5	-60.8	-144.3	104.2	0	0	111.5	S131 T135 A136 D137 R199	S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 PolarHBondContact O-N 3.39Å; E133-T135 VanDerWaalsContact C-N 3.3Å; E133-T135 PolarHBondContact O-N 3.01Å; E133-A136 PolarHBondContact O-N 3.03Å; E133-A136 VanDerWaalsContact O-N 3.1Å; E133-D137 WeakPolarHBondContact O-CB 3.41Å; E133-D137 VanDerWaalsContact O-CG 3.23Å; E133-D137 PolarHBondContact O-N 3.26Å; E133-R199 IonicContact OE1-CZ 3.77Å; E133-R199 IonicContact OE1-NH1 3.18Å; E133-R199 PolarHBondContact OE1-NH1 2.94Å; E133-R199 IonicContact OE1-NH2 2.74Å; E133-R199 PolarHBondContact OE1-NH2 2.9Å
134	E	98.8	Very high	97.9	Very high	50 Å²	50	27.1 Å²	27.1	23%	0.234	16%	0.158	C	C	.	.	H	α-helix	trans	-55.2	-45.2	174.3	-74.7	75.5	-174.9	0	0	111.9	S131 D137 T138 S324 S327 A330	S131-E134 WeakPolarHBondContact CA-OE2 3.47Å; E134-D137 PolarHBondContact O-N 3.44Å; E134-T138 WeakPolarHBondContact O-CB 3.48Å; E134-T138 PolarHBondContact O-N 3.29Å; E134-T138 PolarHBondContact O-OG1 3.47Å; E134-S324 CarbonylContact C-O 3.48Å; E134-S327 PolarHBondContact OE1-OG 3.37Å; E134-A330 HydrophobicContact CG-CB 4.19Å
135	T	98.9	Very high	97.9	Very high	12 Å²	12	28 Å²	28	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-36.8	178.7	-56.5	0	0	0	0	111.4	S131 E133 S139 V192 S324	S131-T135 WeakPolarHBondContact O-CB 3.38Å; S131-T135 PolarHBondContact O-N 2.85Å; S131-T135 PolarHBondContact O-OG1 3.4Å; E133-T135 VanDerWaalsContact C-N 3.3Å; E133-T135 PolarHBondContact O-N 3.01Å; T135-S139 WeakPolarHBondContact O-CB 3.27Å; T135-S139 PolarHBondContact O-N 3.12Å; T135-S139 PolarHBondContact O-OG 3.26Å; T135-V192 HydrophobicContact CG2-CG1 3.84Å; T135-V192 HydrophobicContact CG2-CG2 4.2Å; T135-S324 WeakPolarHBondContact CA-O 3.42Å; T135-S324 PolarHBondContact N-O 3.42Å; T135-S324 PolarHBondContact OG1-O 3.43Å
136	A	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.6	-41.5	175.4	0	0	0	0	0	112.4	V132 E133 S139 L140 V192 A195 V196	V132-A136 WeakPolarHBondContact O-CB 3.36Å; V132-A136 PolarHBondContact O-N 3.47Å; V132-A136 VanDerWaalsContact O-N 3.16Å; E133-A136 PolarHBondContact O-N 3.03Å; E133-A136 VanDerWaalsContact O-N 3.1Å; A136-S139 PolarHBondContact O-N 3.11Å; A136-L140 WeakPolarHBondContact O-CB 3.33Å; A136-L140 PolarHBondContact O-N 2.92Å; A136-V192 HydrophobicContact CB-CG1 4.48Å; A136-A195 HydrophobicContact CB-CB 3.54Å; A136-V196 HydrophobicContact CB-CG2 3.74Å
137	D	98.9	Very high	98	Very high	82 Å²	82	27.2 Å²	27.2	44%	0.439	16%	0.159	S	C	.	.	H	α-helix	trans	-63.8	-44.9	176.8	-71.4	-11.4	0	0	0	110.7	E133 E134 L140 C141 R199	E133-D137 WeakPolarHBondContact O-CB 3.41Å; E133-D137 VanDerWaalsContact O-CG 3.23Å; E133-D137 PolarHBondContact O-N 3.26Å; E134-D137 PolarHBondContact O-N 3.44Å; D137-L140 PolarHBondContact O-N 3.27Å; D137-C141 WeakPolarHBondContact O-CB 3.25Å; D137-C141 PolarHBondContact O-N 3.03Å; D137-R199 IonicContact OD1-CZ 3.52Å; D137-R199 IonicContact OD1-NE 2.71Å; D137-R199 PolarHBondContact OD1-NE 3.31Å; D137-R199 IonicContact OD1-NH2 3.47Å; D137-R199 PolarHBondContact OD1-NH2 3.17Å
138	T	98.9	Very high	98	Very high	37 Å²	37	32.8 Å²	32.8	23%	0.227	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-44.1	174.9	-58.7	0	0	0	0	111.3	E134 L140 C141 L142	E134-T138 WeakPolarHBondContact O-CB 3.48Å; E134-T138 PolarHBondContact O-N 3.29Å; E134-T138 PolarHBondContact O-OG1 3.47Å; T138-L140 VanDerWaalsContact C-N 3.33Å; T138-L140 PolarHBondContact O-N 3.32Å; T138-C141 WeakPolarHBondContact O-CB 3.48Å; T138-C141 PolarHBondContact O-N 3.21Å; T138-L142 HydrophobicContact CG2-CD1 4.34Å; T138-L142 HydrophobicContact CG2-CG 4.4Å; T138-L142 WeakPolarHBondContact O-CG 3.37Å; T138-L142 PolarHBondContact O-N 3.35Å
139	S	98.9	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-45.1	177.5	-57	0	0	0	0	111.5	T135 A136 L142 I143 H243 T271	T135-S139 WeakPolarHBondContact O-CB 3.27Å; T135-S139 PolarHBondContact O-N 3.12Å; T135-S139 PolarHBondContact O-OG 3.26Å; A136-S139 PolarHBondContact O-N 3.11Å; S139-L142 PolarHBondContact O-N 3.27Å; S139-I143 VanDerWaalsContact O-CG1 3.27Å; S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 3.07Å; S139-H243 PolarHBondContact OG-CE1 3.05Å; S139-T271 WeakPolarHBondContact OG-CG2 3.34Å; S139-T271 PolarHBondContact OG-OG1 3.16Å
140	L	98.9	Very high	98.3	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-38.5	176.5	-164.9	70.6	0	0	0	111.9	A136 D137 T138 L142 I143 L144 R199 A200 F203	A136-L140 WeakPolarHBondContact O-CB 3.33Å; A136-L140 PolarHBondContact O-N 2.92Å; D137-L140 PolarHBondContact O-N 3.27Å; T138-L140 VanDerWaalsContact C-N 3.33Å; T138-L140 PolarHBondContact O-N 3.32Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.38Å; L140-I143 PolarHBondContact O-N 2.93Å; L140-L144 HydrophobicContact CG-CD1 4.33Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.23Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.33Å; L140-R199 HydrophobicContact CD2-CB 3.69Å; L140-A200 HydrophobicContact CD1-CB 4.31Å; L140-F203 HydrophobicContact CD2-CD2 4.27Å; L140-F203 HydrophobicContact CD2-CE2 3.64Å; L140-F203 HydrophobicContact CD2-CZ 4.33Å; L140-F203 HydrophobicContact CG-CE2 4.43Å
141	C	98.9	Very high	98.7	Very high	66 Å²	66	37.4 Å²	37.4	45%	0.446	20%	0.196	S	C	.	.	H	α-helix	trans	-57.4	-45.4	172.7	-177.5	0	0	0	0	111.3	D137 T138 L144 N145	D137-C141 WeakPolarHBondContact O-CB 3.25Å; D137-C141 PolarHBondContact O-N 3.03Å; T138-C141 WeakPolarHBondContact O-CB 3.48Å; T138-C141 PolarHBondContact O-N 3.21Å; C141-L144 PolarHBondContact O-N 3.5Å; C141-N145 WeakPolarHBondContact O-CB 3.42Å; C141-N145 PolarHBondContact O-N 2.94Å; C141-N145 PolarHBondContact O-ND2 2.87Å; C141-N145 PolarHBondContact SG-ND2 3.09Å; C141-N145 VanDerWaalsContact SG-ND2 3.43Å
142	L	98.9	Very high	98.7	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-43.9	177.1	-68.2	179.9	0	0	0	112	T138 S139 L140 L144 N145 L146 V269 T271 A295 D297 I318	T138-L142 HydrophobicContact CG2-CD1 4.34Å; T138-L142 HydrophobicContact CG2-CG 4.4Å; T138-L142 WeakPolarHBondContact O-CG 3.37Å; T138-L142 PolarHBondContact O-N 3.35Å; S139-L142 PolarHBondContact O-N 3.27Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.38Å; L142-L144 PolarHBondContact O-N 3.22Å; L142-N145 WeakPolarHBondContact O-CB 3.29Å; L142-N145 PolarHBondContact O-N 3.16Å; L142-L146 WeakPolarHBondContact O-CG 3.38Å; L142-L146 PolarHBondContact O-N 3.3Å; L142-V269 HydrophobicContact CB-CG1 4.11Å; L142-V269 HydrophobicContact CD1-CG1 4.33Å; L142-T271 HydrophobicContact CD1-CG2 3.75Å; L142-A295 HydrophobicContact CB-CB 3.8Å; L142-A295 HydrophobicContact CD1-CB 4.27Å; L142-A295 HydrophobicContact CD2-CB 4.16Å; L142-A295 HydrophobicContact CG-CB 4.28Å; L142-D297 HydrophobicContact CD1-CB 4.47Å; L142-I318 HydrophobicContact CD2-CG2 3.99Å
143	I	98.9	Very high	98.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.3	-51.7	173.2	-68.3	165.3	0	0	0	110.1	S139 L140 N145 L146 Y147 L184 V196 F205 V269	S139-I143 VanDerWaalsContact O-CG1 3.27Å; S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 3.07Å; L140-I143 PolarHBondContact O-N 2.93Å; I143-N145 VanDerWaalsContact C-N 3.27Å; I143-N145 PolarHBondContact O-N 2.85Å; I143-L146 WeakPolarHBondContact O-CB 3.36Å; I143-L146 PolarHBondContact O-N 3.24Å; I143-L146 VanDerWaalsContact O-N 3.14Å; I143-Y147 HydrophobicContact CG2-CD2 3.92Å; I143-Y147 HydrophobicContact CG2-CE2 4.11Å; I143-Y147 WeakPolarHBondContact O-CD2 3.19Å; I143-Y147 PolarHBondContact O-N 2.97Å; I143-L184 HydrophobicContact CD1-CD1 3.93Å; I143-L184 HydrophobicContact CD1-CD2 4.14Å; I143-V196 HydrophobicContact CD1-CG1 4.4Å; I143-F205 HydrophobicContact CG2-CE2 4Å; I143-F205 HydrophobicContact CG2-CZ 3.78Å; I143-V269 HydrophobicContact CG1-CB 4.4Å; I143-V269 HydrophobicContact CG1-CG2 3.75Å
144	L	98.9	Very high	98.6	Very high	39 Å²	39	40.2 Å²	40.2	20%	0.204	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-35.2	179.7	-67.5	176	0	0	0	111.9	L140 C141 L142 L146 Y147 R148 I179 F203	L140-L144 HydrophobicContact CG-CD1 4.33Å; L140-L144 HydrophobicContact CG-CG 4.48Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.23Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.33Å; C141-L144 PolarHBondContact O-N 3.5Å; L142-L144 PolarHBondContact O-N 3.22Å; L144-L146 VanDerWaalsContact C-N 3.35Å; L144-Y147 PolarHBondContact O-N 2.78Å; L144-R148 WeakPolarHBondContact O-CA 3.34Å; L144-R148 WeakPolarHBondContact O-CB 3.06Å; L144-R148 WeakPolarHBondContact O-CG 3.27Å; L144-R148 PolarHBondContact O-N 3.38Å; L144-I179 HydrophobicContact CD2-CD1 3.41Å; L144-I179 VanDerWaalsContact CD2-CD1 3.41Å; L144-F203 HydrophobicContact CD1-CE1 3.74Å; L144-F203 HydrophobicContact CD1-CZ 3.76Å; L144-F203 HydrophobicContact CD2-CD1 3.76Å; L144-F203 HydrophobicContact CD2-CE1 3.78Å; L144-F203 HydrophobicContact CD2-CG 4.4Å; L144-F203 HydrophobicContact CD2-CZ 4.45Å; L144-F203 HydrophobicContact CG-CE1 4.4Å
145	N	98.8	Very high	98.5	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.107	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-36.9	174.7	-91.5	-69.7	0	0	0	112.7	C141 L142 I143 R149 V150 T151 I318	C141-N145 WeakPolarHBondContact O-CB 3.42Å; C141-N145 PolarHBondContact O-N 2.94Å; C141-N145 PolarHBondContact O-ND2 2.87Å; C141-N145 PolarHBondContact SG-ND2 3.09Å; C141-N145 VanDerWaalsContact SG-ND2 3.43Å; L142-N145 WeakPolarHBondContact O-CB 3.29Å; L142-N145 PolarHBondContact O-N 3.16Å; I143-N145 VanDerWaalsContact C-N 3.27Å; I143-N145 PolarHBondContact O-N 2.85Å; N145-R149 WeakPolarHBondContact O-CA 3.49Å; N145-R149 PolarHBondContact O-N 3.49Å; N145-V150 WeakPolarHBondContact OD1-CB 3.49Å; N145-T151 PolarHBondContact OD1-N 2.79Å; N145-T151 PolarHBondContact OD1-OG1 3.25Å; N145-I318 HydrophobicContact CB-CD1 3.83Å
146	L	98.9	Very high	98.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-47.8	173.2	-66.9	177.4	0	0	0	111.5	L142 I143 L144 W152 F267 V269 A295 I318	L142-L146 WeakPolarHBondContact O-CG 3.38Å; L142-L146 PolarHBondContact O-N 3.3Å; I143-L146 WeakPolarHBondContact O-CB 3.36Å; I143-L146 PolarHBondContact O-N 3.24Å; I143-L146 VanDerWaalsContact O-N 3.14Å; L144-L146 VanDerWaalsContact C-N 3.35Å; L146-W152 HydrophobicContact CD2-CH2 3.63Å; L146-W152 HydrophobicContact CD2-CZ2 4.22Å; L146-W152 HydrophobicContact CD2-CZ3 4.42Å; L146-F267 HydrophobicContact CB-CD1 3.79Å; L146-F267 HydrophobicContact CB-CD2 4.33Å; L146-F267 HydrophobicContact CB-CE1 3.83Å; L146-F267 HydrophobicContact CB-CE2 4.36Å; L146-F267 HydrophobicContact CB-CG 4.03Å; L146-F267 HydrophobicContact CB-CZ 4.1Å; L146-F267 HydrophobicContact CD1-CB 3.9Å; L146-F267 HydrophobicContact CD1-CD1 4Å; L146-F267 HydrophobicContact CD1-CG 4.11Å; L146-F267 HydrophobicContact CD2-CD1 4.29Å; L146-F267 HydrophobicContact CD2-CE1 4.46Å; L146-F267 HydrophobicContact CG-CD1 4.25Å; L146-F267 WeakPolarHBondContact O-CZ 3.49Å; L146-V269 HydrophobicContact CD1-CG2 3.66Å; L146-A295 HydrophobicContact CD1-CB 3.93Å; L146-A295 HydrophobicContact CD2-CB 4.21Å; L146-A295 HydrophobicContact CG-CB 4.08Å; L146-I318 HydrophobicContact CD2-CD1 4.15Å
147	Y	98.9	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-36.5	-178.4	-87.6	-87.1	0	0	0	113.7	I143 L144 A176 A177 I179 E182 F205 C239 F267	I143-Y147 HydrophobicContact CG2-CD2 3.92Å; I143-Y147 HydrophobicContact CG2-CE2 4.11Å; I143-Y147 WeakPolarHBondContact O-CD2 3.19Å; I143-Y147 PolarHBondContact O-N 2.97Å; L144-Y147 PolarHBondContact O-N 2.78Å; Y147-A176 CarbonylContact O-C 3.33Å; Y147-A176 WeakPolarHBondContact O-CA 3.42Å; Y147-A177 HydrophobicContact CD1-CB 3.83Å; Y147-A177 HydrophobicContact CE1-CB 4.21Å; Y147-A177 PolarHBondContact O-N 3.14Å; Y147-I179 HydrophobicContact CD1-CG1 3.75Å; Y147-I179 HydrophobicContact CE1-CG1 4.48Å; Y147-I179 HydrophobicContact CG-CG1 3.8Å; Y147-E182 HydrophobicContact CE1-CB 4.32Å; Y147-E182 HydrophobicContact CE1-CG 3.71Å; Y147-E182 VanDerWaalsContact CE1-OE2 3.27Å; Y147-E182 WeakPolarHBondContact CE1-OE2 3.36Å; Y147-E182 PolarHBondContact OH-OE2 3.44Å; Y147-F205 HydrophobicContact CD2-CZ 4.06Å; Y147-F205 AromaticContact CE2-CE1 3.88Å; Y147-F205 HydrophobicContact CE2-CE1 3.88Å; Y147-F205 AromaticContact CE2-CZ 3.63Å; Y147-F205 HydrophobicContact CE2-CZ 3.63Å; Y147-F205 AromaticContact CZ-CE1 3.82Å; Y147-F205 AromaticContact CZ-CZ 3.99Å; Y147-C239 HydrophobicContact CE2-CB 3.89Å; Y147-F267 HydrophobicContact CD1-CE2 4.17Å; Y147-F267 HydrophobicContact CD2-CD2 4.02Å; Y147-F267 HydrophobicContact CD2-CE2 4.06Å; Y147-F267 HydrophobicContact CE1-CD2 4.33Å; Y147-F267 HydrophobicContact CE1-CE2 4.11Å; Y147-F267 AromaticContact CE2-CD2 3.65Å; Y147-F267 HydrophobicContact CE2-CD2 3.65Å; Y147-F267 HydrophobicContact CE2-CE2 4.05Å; Y147-F267 HydrophobicContact CG-CE2 4.12Å; Y147-F267 AromaticContact CZ-CD2 3.81Å
148	R	98.7	Very high	98.3	Very high	123 Å²	123	54.2 Å²	54.2	46%	0.464	26%	0.264	S	S	.	.	H	α-helix	trans	-106.4	-8.6	-173	-56.3	-52.9	-54	171	1.1	113.7	L144 V150 M153 A177	L144-R148 WeakPolarHBondContact O-CA 3.34Å; L144-R148 WeakPolarHBondContact O-CB 3.06Å; L144-R148 WeakPolarHBondContact O-CG 3.27Å; L144-R148 PolarHBondContact O-N 3.38Å; R148-V150 HydrophobicContact CB-CG2 3.9Å; R148-V150 PolarHBondContact O-N 3.41Å; R148-M153 WeakPolarHBondContact O-CE 3.43Å; R148-A177 PolarHBondContact NH1-O 3.47Å; R148-A177 VanDerWaalsContact NH1-O 3.11Å
149	R	98.4	Very high	98.3	Very high	35 Å²	35	58.9 Å²	58.9	13%	0.132	28%	0.283	C	S	.	.			trans	59.7	24.5	177	-53.4	-171.8	65.9	83.6	-2.8	114.5	N145 T151 W152 M153 G174 A176	N145-R149 WeakPolarHBondContact O-CA 3.49Å; N145-R149 PolarHBondContact O-N 3.49Å; R149-T151 PolarHBondContact O-N 3.38Å; R149-W152 HydrophobicContact CB-CE3 3.81Å; R149-W152 HydrophobicContact CB-CZ3 4.49Å; R149-W152 HydrophobicContact CG-CE3 3.76Å; R149-W152 HydrophobicContact CG-CZ3 4.01Å; R149-W152 PolarHBondContact O-N 2.85Å; R149-M153 HydrophobicContact CB-CG 4.5Å; R149-M153 WeakPolarHBondContact O-CG 3.4Å; R149-M153 PolarHBondContact O-N 3.47Å; R149-G174 WeakPolarHBondContact CD-O 3.35Å; R149-G174 PolarHBondContact NE-O 3.32Å; R149-A176 HydrophobicContact CG-CB 4.15Å
150	V	98.2	Very high	98.1	Very high	82 Å²	82	61.3 Å²	61.3	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-49.1	-170.2	175.7	0	0	0	0	111.8	N145 R148 W152 M153 H154	N145-V150 WeakPolarHBondContact OD1-CB 3.49Å; R148-V150 HydrophobicContact CB-CG2 3.9Å; R148-V150 PolarHBondContact O-N 3.41Å; V150-W152 PolarHBondContact O-N 3.34Å; V150-M153 HydrophobicContact CG2-CE 4.19Å; V150-M153 PolarHBondContact O-N 3.06Å; V150-H154 WeakPolarHBondContact O-CB 3.3Å; V150-H154 PolarHBondContact O-N 3.14Å
151	T	98.1	Very high	98	Very high	60 Å²	60	63.2 Å²	63.2	37%	0.368	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-43.6	175.5	-61.5	0	0	0	0	112.7	N145 R149 H154 Q155	N145-T151 PolarHBondContact OD1-N 2.79Å; N145-T151 PolarHBondContact OD1-OG1 3.25Å; R149-T151 PolarHBondContact O-N 3.38Å; T151-H154 WeakPolarHBondContact O-CB 3.27Å; T151-H154 PolarHBondContact O-N 2.66Å; T151-Q155 WeakPolarHBondContact O-CB 3.47Å; T151-Q155 PolarHBondContact O-N 3.02Å
152	W	98.1	Very high	97.7	Very high	33 Å²	33	70.3 Å²	70.3	13%	0.125	34%	0.338	C	S	.	.	H	α-helix	trans	-68.7	-36.9	179.1	-64	-45.2	0	0	0	112.7	L146 R149 V150 Q155 A156 N316 I318	L146-W152 HydrophobicContact CD2-CH2 3.63Å; L146-W152 HydrophobicContact CD2-CZ2 4.22Å; L146-W152 HydrophobicContact CD2-CZ3 4.42Å; R149-W152 HydrophobicContact CB-CE3 3.81Å; R149-W152 HydrophobicContact CB-CZ3 4.49Å; R149-W152 HydrophobicContact CG-CE3 3.76Å; R149-W152 HydrophobicContact CG-CZ3 4.01Å; R149-W152 PolarHBondContact O-N 2.85Å; V150-W152 PolarHBondContact O-N 3.34Å; W152-Q155 PolarHBondContact O-N 3.4Å; W152-A156 WeakPolarHBondContact O-CB 3.49Å; W152-A156 PolarHBondContact O-N 3.3Å; W152-N316 HydrophobicContact CH2-CB 4.28Å; W152-N316 VanDerWaalsContact CZ2-C 3.42Å; W152-N316 HydrophobicContact CZ2-CB 4.21Å; W152-N316 WeakPolarHBondContact CZ2-O 3.09Å; W152-I318 HydrophobicContact CH2-CD1 4.46Å; W152-I318 HydrophobicContact CZ2-CD1 4.05Å; W152-I318 HydrophobicContact CZ2-CG1 3.79Å
153	M	96.8	Very high	97.3	Very high	61 Å²	61	71.8 Å²	71.8	30%	0.3	35%	0.351	S	S	.	.	H	α-helix	trans	-66.3	-41.3	174.2	-70.7	-175.9	-63.2	0	0	111.6	R148 R149 V150 Q155 A156 L157 A173	R148-M153 WeakPolarHBondContact O-CE 3.43Å; R149-M153 HydrophobicContact CB-CG 4.5Å; R149-M153 WeakPolarHBondContact O-CG 3.4Å; R149-M153 PolarHBondContact O-N 3.47Å; V150-M153 HydrophobicContact CG2-CE 4.19Å; V150-M153 PolarHBondContact O-N 3.06Å; M153-Q155 VanDerWaalsContact C-N 3.32Å; M153-Q155 PolarHBondContact O-N 2.8Å; M153-A156 PolarHBondContact O-N 3.32Å; M153-L157 WeakPolarHBondContact O-CG 3.44Å; M153-L157 PolarHBondContact O-N 3.49Å; M153-L157 VanDerWaalsContact O-N 3.11Å; M153-A173 HydrophobicContact SD-CB 4.06Å
154	H	97.8	Very high	96.9	Very high	120 Å²	120	77.1 Å²	77.1	56%	0.556	39%	0.389	S	S	*	.	H	α-helix	trans	-56.6	-49.9	171.5	176.9	123.9	0	0	0	110.4	V150 T151 A156 L157 R158	V150-H154 WeakPolarHBondContact O-CB 3.3Å; V150-H154 PolarHBondContact O-N 3.14Å; T151-H154 WeakPolarHBondContact O-CB 3.27Å; T151-H154 PolarHBondContact O-N 2.66Å; H154-A156 PolarHBondContact O-N 2.95Å; H154-L157 PolarHBondContact O-N 2.94Å; H154-R158 WeakPolarHBondContact NE2-CG 3.21Å; H154-R158 WeakPolarHBondContact O-CG 3.11Å; H154-R158 PolarHBondContact O-N 3.2Å
155	Q	97.5	Very high	96.8	Very high	91 Å²	91	77.2 Å²	77.2	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-46.4	-179.9	179.8	176.9	-3.3	0	0	111.5	T151 W152 M153 L157 R158 E159	T151-Q155 WeakPolarHBondContact O-CB 3.47Å; T151-Q155 PolarHBondContact O-N 3.02Å; W152-Q155 PolarHBondContact O-N 3.4Å; M153-Q155 VanDerWaalsContact C-N 3.32Å; M153-Q155 PolarHBondContact O-N 2.8Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 3.25Å; Q155-R158 CarbonylContact O-C 3.53Å; Q155-R158 WeakPolarHBondContact O-CA 3.48Å; Q155-R158 WeakPolarHBondContact O-CB 3.46Å; Q155-R158 PolarHBondContact O-N 3.36Å; Q155-E159 HydrophobicContact CG-CG 4.4Å; Q155-E159 VanDerWaalsContact CG-OE1 3.22Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.2Å; Q155-E159 PolarHBondContact NE2-OE1 3.41Å; Q155-E159 WeakPolarHBondContact O-CG 3.28Å; Q155-E159 PolarHBondContact O-N 3.02Å
156	A	97.1	Very high	96.7	Very high	16 Å²	16	80 Å²	80	13%	0.132	41%	0.41	C	S	.	.	H	α-helix	trans	-57.8	-40.2	178	0	0	0	0	0	112.3	W152 M153 H154 E159 G160 T161 V172	W152-A156 WeakPolarHBondContact O-CB 3.49Å; W152-A156 PolarHBondContact O-N 3.3Å; M153-A156 PolarHBondContact O-N 3.32Å; H154-A156 PolarHBondContact O-N 2.95Å; A156-E159 PolarHBondContact O-N 3.18Å; A156-G160 PolarHBondContact O-N 3.33Å; A156-T161 WeakPolarHBondContact O-CB 3.38Å; A156-T161 PolarHBondContact O-N 2.88Å; A156-T161 PolarHBondContact O-OG1 2.89Å; A156-V172 HydrophobicContact CB-CG1 4.23Å
157	L	97.1	Very high	96.6	Very high	126 Å²	126	85.6 Å²	85.6	66%	0.66	44%	0.436	S	S	*	.	H	α-helix	trans	-66.3	-40.3	174.5	-71.2	175.6	0	0	0	112.2	M153 H154 Q155 E159 G160 T161	M153-L157 WeakPolarHBondContact O-CG 3.44Å; M153-L157 PolarHBondContact O-N 3.49Å; M153-L157 VanDerWaalsContact O-N 3.11Å; H154-L157 PolarHBondContact O-N 2.94Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 3.25Å; L157-E159 VanDerWaalsContact C-N 3.25Å; L157-E159 PolarHBondContact O-N 2.71Å; L157-G160 PolarHBondContact O-N 2.86Å; L157-G160 VanDerWaalsContact O-N 3.07Å; L157-T161 WeakPolarHBondContact CD2-O 3.45Å
158	R	97.9	Very high	96.5	Very high	206 Å²	206	89.3 Å²	89.3	78%	0.777	45%	0.453	S	S	*	.	H	α-helix	trans	-63.3	-33.6	175	-70	-77.4	-75.6	174.5	-4.1	112.1	H154 Q155 G160	H154-R158 WeakPolarHBondContact NE2-CG 3.21Å; H154-R158 WeakPolarHBondContact O-CG 3.11Å; H154-R158 PolarHBondContact O-N 3.2Å; Q155-R158 CarbonylContact O-C 3.53Å; Q155-R158 WeakPolarHBondContact O-CA 3.48Å; Q155-R158 WeakPolarHBondContact O-CB 3.46Å; Q155-R158 PolarHBondContact O-N 3.36Å; R158-G160 PolarHBondContact O-N 2.87Å
159	E	97.5	Very high	96.3	Very high	134 Å²	134	87.8 Å²	87.8	63%	0.626	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.7	175.5	-69.2	169.6	-178.5	0	0	113.1	Q155 A156 L157	Q155-E159 HydrophobicContact CG-CG 4.4Å; Q155-E159 VanDerWaalsContact CG-OE1 3.22Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.2Å; Q155-E159 PolarHBondContact NE2-OE1 3.41Å; Q155-E159 WeakPolarHBondContact O-CG 3.28Å; Q155-E159 PolarHBondContact O-N 3.02Å; A156-E159 PolarHBondContact O-N 3.18Å; L157-E159 VanDerWaalsContact C-N 3.25Å; L157-E159 PolarHBondContact O-N 2.71Å
160	G	96.6	Very high	96.2	Very high	51 Å²	51	94.4 Å²	94.4	53%	0.526	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	8.5	173.6	0	0	0	0	0	115	A156 L157 R158 R162	A156-G160 PolarHBondContact O-N 3.33Å; L157-G160 PolarHBondContact O-N 2.86Å; L157-G160 VanDerWaalsContact O-N 3.07Å; R158-G160 PolarHBondContact O-N 2.87Å; G160-R162 PolarHBondContact O-N 3.01Å
161	T	95.4	Very high	96	Very high	56 Å²	56	98 Å²	98	34%	0.344	49%	0.49	S	S	.	.			trans	-59.7	133.9	173.2	-55.6	0	0	0	0	110	A156 L157 V172	A156-T161 WeakPolarHBondContact O-CB 3.38Å; A156-T161 PolarHBondContact O-N 2.88Å; A156-T161 PolarHBondContact O-OG1 2.89Å; L157-T161 WeakPolarHBondContact CD2-O 3.45Å; T161-V172 HydrophobicContact CG2-CG2 3.72Å
162	R	92.3	Very high	95.9	Very high	216 Å²	216	97.6 Å²	97.6	82%	0.815	49%	0.487	S	S	*	.			trans	-123.1	116.8	176	-65	-175.8	179	-172.8	-1	109.5	G160	G160-R162 PolarHBondContact O-N 3.01Å
163	A	90.5	Very high	95.7	Very high	39 Å²	39	97.2 Å²	97.2	32%	0.322	49%	0.492	S	S	.	.			trans	-110.5	104.4	174.8	0	0	0	0	0	109.4	Q168 I169 V172	A163-Q168 HydrophobicContact CB-CB 3.88Å; A163-I169 HydrophobicContact CB-CG1 3.98Å; A163-V172 HydrophobicContact CB-CG2 4.35Å
164	S	92.3	Very high	95.7	Very high	112 Å²	112	96.1 Å²	96.1	78%	0.783	50%	0.495	S	S	*	.			trans	-106.3	-24.6	-177.7	-57.6	0	0	0	0	112.7
165	S	96.6	Very high	95.6	Very high	40 Å²	40	92.1 Å²	92.1	28%	0.28	49%	0.487	S	S	.	.	S	Bend	trans	-101.3	160.4	175	95.7	0	0	0	0	112.1	E167 Q168 I169	S165-E167 WeakPolarHBondContact CB-OE2 3.37Å; S165-E167 PolarHBondContact O-N 3.46Å; S165-E167 PolarHBondContact OG-N 2.94Å; S165-E167 PolarHBondContact OG-OE2 2.99Å; S165-Q168 PolarHBondContact O-N 3.48Å; S165-Q168 PolarHBondContact OG-N 3.32Å; S165-I169 WeakPolarHBondContact O-CG1 3.27Å; S165-I169 PolarHBondContact O-N 2.95Å
166	V	96.3	Very high	95.6	Very high	78 Å²	78	89.7 Å²	89.7	47%	0.473	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-35	176.9	175.2	0	0	0	0	111.2	I169 R170	V166-I169 PolarHBondContact O-N 3.4Å; V166-R170 WeakPolarHBondContact O-CG 3.39Å; V166-R170 PolarHBondContact O-N 3.09Å
167	E	96.6	Very high	95.7	Very high	119 Å²	119	90 Å²	90	56%	0.556	49%	0.485	S	S	*	.	H	α-helix	trans	-64.7	-46.7	177	-61.4	66.1	-142.1	0	0	110.8	S165 I169 R170 E171	S165-E167 WeakPolarHBondContact CB-OE2 3.37Å; S165-E167 PolarHBondContact O-N 3.46Å; S165-E167 PolarHBondContact OG-N 2.94Å; S165-E167 PolarHBondContact OG-OE2 2.99Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 3.17Å; E167-R170 WeakPolarHBondContact O-CB 3.3Å; E167-R170 PolarHBondContact O-N 3.43Å; E167-R170 VanDerWaalsContact O-N 3.17Å; E167-E171 PolarHBondContact O-N 3.26Å
168	Q	95.9	Very high	95.8	Very high	77 Å²	77	93.7 Å²	93.7	36%	0.36	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-38	176.7	-66.4	175.3	-37.9	0	0	111.8	A163 S165 R170 E171 V172	A163-Q168 HydrophobicContact CB-CB 3.88Å; S165-Q168 PolarHBondContact O-N 3.48Å; S165-Q168 PolarHBondContact OG-N 3.32Å; Q168-R170 VanDerWaalsContact C-N 3.34Å; Q168-E171 PolarHBondContact O-N 3.26Å; Q168-V172 WeakPolarHBondContact O-CG2 3.34Å; Q168-V172 PolarHBondContact O-N 3.3Å
169	I	95.7	Very high	95.8	Very high	92 Å²	92	84.8 Å²	84.8	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-62	-44	174.7	-68.6	166.8	0	0	0	110.4	A163 S165 V166 E167 E171 A173	A163-I169 HydrophobicContact CB-CG1 3.98Å; S165-I169 WeakPolarHBondContact O-CG1 3.27Å; S165-I169 PolarHBondContact O-N 2.95Å; V166-I169 PolarHBondContact O-N 3.4Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 3.17Å; I169-E171 VanDerWaalsContact C-N 3.32Å; I169-E171 PolarHBondContact O-N 2.82Å; I169-A173 WeakPolarHBondContact O-CB 3.33Å; I169-A173 PolarHBondContact O-N 3.35Å
170	R	95.8	Very high	95.9	Very high	173 Å²	173	87.4 Å²	87.4	65%	0.653	46%	0.462	S	S	*	.	H	α-helix	trans	-64.8	-36.4	177.3	-73.1	176	-174.2	157.6	3.8	112.5	V166 E167 Q168 G174	V166-R170 WeakPolarHBondContact O-CG 3.39Å; V166-R170 PolarHBondContact O-N 3.09Å; E167-R170 WeakPolarHBondContact O-CB 3.3Å; E167-R170 PolarHBondContact O-N 3.43Å; E167-R170 VanDerWaalsContact O-N 3.17Å; Q168-R170 VanDerWaalsContact C-N 3.34Å; R170-G174 WeakPolarHBondContact O-CA 3.39Å; R170-G174 PolarHBondContact O-N 3.01Å
171	E	94.6	Very high	96	Very high	157 Å²	157	87.8 Å²	87.8	73%	0.734	47%	0.466	S	S	*	.	H	α-helix	trans	-65.5	-52.5	177.2	-174.4	177.2	-179.2	0	0	111.2	E167 Q168 I169 A173 G174	E167-E171 PolarHBondContact O-N 3.26Å; Q168-E171 PolarHBondContact O-N 3.26Å; I169-E171 VanDerWaalsContact C-N 3.32Å; I169-E171 PolarHBondContact O-N 2.82Å; E171-A173 PolarHBondContact O-N 3.29Å; E171-G174 PolarHBondContact O-N 3.17Å; E171-G174 VanDerWaalsContact O-N 3.09Å
172	V	94.9	Very high	96.1	Very high	52 Å²	52	87.8 Å²	87.8	32%	0.315	46%	0.462	S	S	.	.	H	α-helix	trans	-65.8	-39.1	-179.6	176	0	0	0	0	111.8	A156 T161 A163 Q168 G174	A156-V172 HydrophobicContact CB-CG1 4.23Å; T161-V172 HydrophobicContact CG2-CG2 3.72Å; A163-V172 HydrophobicContact CB-CG2 4.35Å; Q168-V172 WeakPolarHBondContact O-CG2 3.34Å; Q168-V172 PolarHBondContact O-N 3.3Å; V172-G174 PolarHBondContact O-N 3.45Å
173	A	95.3	Very high	96.4	Very high	26 Å²	26	78.5 Å²	78.5	22%	0.215	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8	176.3	0	0	0	0	0	113.3	M153 I169 E171 G175 A176	M153-A173 HydrophobicContact SD-CB 4.06Å; I169-A173 WeakPolarHBondContact O-CB 3.33Å; I169-A173 PolarHBondContact O-N 3.35Å; E171-A173 PolarHBondContact O-N 3.29Å; A173-G175 PolarHBondContact O-N 2.78Å; A173-A176 VanDerWaalsContact O-CB 3.27Å; A173-A176 WeakPolarHBondContact O-CB 3.41Å; A173-A176 PolarHBondContact O-N 2.98Å
174	G	95.8	Very high	96.8	Very high	37 Å²	37	76.6 Å²	76.6	38%	0.381	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	130.7	-176.8	0	0	0	0	0	112.2	R149 R170 E171 V172	R149-G174 WeakPolarHBondContact CD-O 3.35Å; R149-G174 PolarHBondContact NE-O 3.32Å; R170-G174 WeakPolarHBondContact O-CA 3.39Å; R170-G174 PolarHBondContact O-N 3.01Å; E171-G174 PolarHBondContact O-N 3.17Å; E171-G174 VanDerWaalsContact O-N 3.09Å; V172-G174 PolarHBondContact O-N 3.45Å
175	G	96	Very high	97.2	Very high	36 Å²	36	71.3 Å²	71.3	37%	0.371	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-4	-178.2	0	0	0	0	0	115.5	A173	A173-G175 PolarHBondContact O-N 2.78Å
176	A	98.3	Very high	97.3	Very high	40 Å²	40	69.4 Å²	69.4	33%	0.331	36%	0.363	S	S	.	.			trans	-62.2	138.3	167.5	0	0	0	0	0	110.4	Y147 R149 A173	Y147-A176 CarbonylContact O-C 3.33Å; Y147-A176 WeakPolarHBondContact O-CA 3.42Å; R149-A176 HydrophobicContact CG-CB 4.15Å; A173-A176 VanDerWaalsContact O-CB 3.27Å; A173-A176 WeakPolarHBondContact O-CB 3.41Å; A173-A176 PolarHBondContact O-N 2.98Å
177	A	98.4	Very high	97.4	Very high	23 Å²	23	65.9 Å²	65.9	19%	0.19	34%	0.342	C	S	.	.			trans	-122.6	158.9	-170.5	0	0	0	0	0	112.7	Y147 R148	Y147-A177 HydrophobicContact CD1-CB 3.83Å; Y147-A177 HydrophobicContact CE1-CB 4.21Å; Y147-A177 PolarHBondContact O-N 3.14Å; R148-A177 PolarHBondContact NH1-O 3.47Å; R148-A177 VanDerWaalsContact NH1-O 3.11Å
178	R	98.7	Very high	97.5	Very high	204 Å²	204	60.4 Å²	60.4	77%	0.77	32%	0.317	S	S	*	.			trans	-80	132	168.7	173.4	175.8	-70	-171.1	-0.8	108.1	E182	R178-E182 WeakPolarHBondContact O-CG 3.33Å
179	I	98.9	Very high	97.6	Very high	18 Å²	18	56.7 Å²	56.7	9%	0.092	30%	0.3	C	S	.	.			trans	-82.5	-41.3	-178	-67.2	161.6	0	0	0	112.4	L144 Y147 G181 E182 F203 F205	L144-I179 HydrophobicContact CD2-CD1 3.41Å; L144-I179 VanDerWaalsContact CD2-CD1 3.41Å; Y147-I179 HydrophobicContact CD1-CG1 3.75Å; Y147-I179 HydrophobicContact CE1-CG1 4.48Å; Y147-I179 HydrophobicContact CG-CG1 3.8Å; I179-G181 PolarHBondContact O-N 3.47Å; I179-G181 VanDerWaalsContact O-N 3.15Å; I179-E182 VanDerWaalsContact O-CB 3.23Å; I179-E182 WeakPolarHBondContact O-CB 3.49Å; I179-E182 VanDerWaalsContact O-CG 3.27Å; I179-E182 WeakPolarHBondContact O-CG 3.16Å; I179-E182 PolarHBondContact O-N 2.7Å; I179-F203 HydrophobicContact CD1-CD1 4.48Å; I179-F203 HydrophobicContact CG2-CB 3.9Å; I179-F205 HydrophobicContact CB-CZ 4.5Å; I179-F205 HydrophobicContact CG1-CZ 4.45Å; I179-F205 HydrophobicContact CG2-CD1 4.18Å; I179-F205 HydrophobicContact CG2-CD2 3.6Å; I179-F205 HydrophobicContact CG2-CE1 3.92Å; I179-F205 HydrophobicContact CG2-CE2 3.3Å; I179-F205 HydrophobicContact CG2-CG 4.04Å; I179-F205 HydrophobicContact CG2-CZ 3.48Å; I179-F205 VanDerWaalsContact CG2-CZ 3.48Å
180	R	98.8	Very high	97.7	Very high	189 Å²	189	53.7 Å²	53.7	71%	0.713	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	123.1	-176.4	179.9	-179.2	-64.7	-87.3	-3.6	110.7
181	G	98.3	Very high	97.8	Very high	60 Å²	60	52.7 Å²	52.7	62%	0.619	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	-10.9	-179.3	0	0	0	0	0	114.4	I179 G204	I179-G181 PolarHBondContact O-N 3.47Å; I179-G181 VanDerWaalsContact O-N 3.15Å; G181-G204 PolarHBondContact N-O 3.24Å
182	E	98.8	Very high	98	Very high	55 Å²	55	46.6 Å²	46.6	26%	0.257	26%	0.262	S	S	.	.			trans	-72.6	154.1	173.6	-62.8	-83.9	121.2	0	0	110.9	Y147 R178 I179 F205 S206 D238	Y147-E182 HydrophobicContact CE1-CB 4.32Å; Y147-E182 HydrophobicContact CE1-CG 3.71Å; Y147-E182 VanDerWaalsContact CE1-OE2 3.27Å; Y147-E182 WeakPolarHBondContact CE1-OE2 3.36Å; Y147-E182 PolarHBondContact OH-OE2 3.44Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; I179-E182 VanDerWaalsContact O-CB 3.23Å; I179-E182 WeakPolarHBondContact O-CB 3.49Å; I179-E182 VanDerWaalsContact O-CG 3.27Å; I179-E182 WeakPolarHBondContact O-CG 3.16Å; I179-E182 PolarHBondContact O-N 2.7Å; E182-F205 HydrophobicContact CB-CD1 3.86Å; E182-F205 HydrophobicContact CB-CE1 3.74Å; E182-F205 WeakPolarHBondContact O-CA 3.37Å; E182-F205 WeakPolarHBondContact O-CD1 3.43Å; E182-S206 PolarHBondContact O-N 3.38Å; E182-D238 HydrophobicContact CB-CB 4.4Å; E182-D238 WeakPolarHBondContact OE2-CB 3.49Å
183	T	98.9	Very high	98.2	Very high	21 Å²	21	44.1 Å²	44.1	13%	0.129	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.6	178.1	-54.2	0	0	0	0	111.3	S206 I208 H236 D238 C239	T183-S206 CarbonylContact C-O 3.54Å; T183-S206 VanDerWaalsContact CA-O 3.27Å; T183-S206 WeakPolarHBondContact CA-O 3.48Å; T183-I208 HydrophobicContact CG2-CB 4.49Å; T183-I208 HydrophobicContact CG2-CD1 3.71Å; T183-I208 HydrophobicContact CG2-CG1 3.84Å; T183-I208 HydrophobicContact CG2-CG2 3.9Å; T183-H236 WeakPolarHBondContact CB-O 3.19Å; T183-H236 WeakPolarHBondContact CG2-O 3.34Å; T183-D238 PolarHBondContact N-OD2 2.77Å; T183-D238 PolarHBondContact O-N 3.31Å; T183-C239 PolarHBondContact O-N 2.82Å; T183-C239 VanDerWaalsContact O-N 3.13Å
184	L	98.9	Very high	98.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114	171.8	178.2	64.6	0	0	0	109.5	I143 I186 V196 A200 F205 S206 V207 I208 C239	I143-L184 HydrophobicContact CD1-CD1 3.93Å; I143-L184 HydrophobicContact CD1-CD2 4.14Å; L184-I186 HydrophobicContact CD2-CD1 4.42Å; L184-I186 HydrophobicContact CD2-CG1 4.46Å; L184-I186 HydrophobicContact CG-CG1 4.29Å; L184-V196 HydrophobicContact CD2-CG1 4.2Å; L184-A200 HydrophobicContact CD2-CB 3.54Å; L184-F205 HydrophobicContact CB-CB 4.23Å; L184-F205 HydrophobicContact CB-CD1 3.8Å; L184-F205 HydrophobicContact CB-CE1 4.3Å; L184-F205 HydrophobicContact CB-CG 4.03Å; L184-S206 PolarHBondContact N-O 2.78Å; L184-V207 WeakPolarHBondContact O-CA 3.23Å; L184-I208 PolarHBondContact O-N 2.98Å; L184-C239 CarbonylContact C-O 3.53Å; L184-C239 WeakPolarHBondContact CA-O 3.37Å; L184-C239 HydrophobicContact CD1-CB 4Å
185	G	98.9	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.8	172.6	0	0	0	0	0	112.3	I208 S237 C239 V240 S241	G185-I208 WeakPolarHBondContact CA-O 3.3Å; G185-S237 WeakPolarHBondContact CA-OG 3.45Å; G185-S237 PolarHBondContact N-OG 2.84Å; G185-C239 PolarHBondContact N-O 2.79Å; G185-V240 CarbonylContact O-C 3.53Å; G185-V240 WeakPolarHBondContact O-CA 3.32Å; G185-S241 PolarHBondContact O-N 2.95Å
186	I	98.9	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.2	176.9	-68.8	172.1	0	0	0	110.1	L184 G188 L189 V196 A197 V207 I208 F209 Y210 L233 H243	L184-I186 HydrophobicContact CD2-CD1 4.42Å; L184-I186 HydrophobicContact CD2-CG1 4.46Å; L184-I186 HydrophobicContact CG-CG1 4.29Å; I186-G188 WeakPolarHBondContact CG2-O 3.36Å; I186-L189 HydrophobicContact CG2-CD1 4.15Å; I186-V196 HydrophobicContact CD1-CB 4.5Å; I186-V196 HydrophobicContact CD1-CG1 4.22Å; I186-A197 HydrophobicContact CD1-CB 3.74Å; I186-V207 HydrophobicContact CD1-CG1 3.76Å; I186-V207 HydrophobicContact CG1-CG1 4.47Å; I186-I208 PolarHBondContact N-O 3Å; I186-F209 HydrophobicContact CB-CB 4.09Å; I186-F209 HydrophobicContact CG2-CB 4.43Å; I186-F209 CarbonylContact O-C 3.34Å; I186-F209 WeakPolarHBondContact O-CA 3.47Å; I186-F209 WeakPolarHBondContact O-CB 3.21Å; I186-Y210 PolarHBondContact O-N 3.44Å; I186-L233 VanDerWaalsContact O-CD1 3.29Å; I186-L233 WeakPolarHBondContact O-CD1 3.45Å; I186-H243 HydrophobicContact CG2-CB 4.47Å
187	I	98.9	Very high	98.7	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	107.8	173	-62.5	172.4	0	0	0	108.3	Y210 L230 L233 L234 V240 S241 L242 H243 C244 L253 I254	I187-Y210 HydrophobicContact CG2-CD1 4.5Å; I187-L230 HydrophobicContact CD1-CD1 3.46Å; I187-L230 VanDerWaalsContact CD1-CD1 3.46Å; I187-L230 HydrophobicContact CG1-CD1 4.05Å; I187-L233 HydrophobicContact CD1-CD2 4.03Å; I187-L233 HydrophobicContact CG1-CD1 4.24Å; I187-L233 HydrophobicContact CG1-CD2 3.7Å; I187-L234 HydrophobicContact CD1-CD2 4.2Å; I187-V240 HydrophobicContact CD1-CG1 3.63Å; I187-V240 HydrophobicContact CG1-CG1 4.22Å; I187-S241 PolarHBondContact N-O 2.91Å; I187-L242 HydrophobicContact CB-CD2 3.89Å; I187-L242 HydrophobicContact CD1-CD2 3.61Å; I187-L242 HydrophobicContact CG1-CD2 4.23Å; I187-L242 HydrophobicContact CG2-CD2 4.32Å; I187-H243 CarbonylContact O-C 3.53Å; I187-H243 WeakPolarHBondContact O-CA 3.23Å; I187-H243 PolarHBondContact O-N 3.35Å; I187-C244 PolarHBondContact O-N 3.45Å; I187-C244 VanDerWaalsContact O-N 3.13Å; I187-L253 HydrophobicContact CG2-CD2 3.62Å; I187-I254 HydrophobicContact CD1-CD1 4.08Å
188	G	98.6	Very high	98.7	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	22%	0.217	C	C	.	.			trans	92.2	108.8	-170.5	0	0	0	0	0	112.2	I186 Y210 H243	I186-G188 WeakPolarHBondContact CG2-O 3.36Å; G188-Y210 PolarHBondContact N-O 2.85Å; G188-H243 WeakPolarHBondContact O-CB 3.5Å
189	L	98.4	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.			trans	-105.4	45.4	-179.6	-163.8	80.3	0	0	0	111.3	I186 Q194 A197 F209 D211 L214 L222 L224	I186-L189 HydrophobicContact CG2-CD1 4.15Å; L189-Q194 HydrophobicContact CD1-CG 4.3Å; L189-Q194 HydrophobicContact CD2-CG 4.37Å; L189-Q194 HydrophobicContact CG-CG 3.82Å; L189-Q194 WeakPolarHBondContact O-CG 3.47Å; L189-Q194 PolarHBondContact O-NE2 3.3Å; L189-A197 HydrophobicContact CD1-CB 4.4Å; L189-F209 HydrophobicContact CB-CB 4.31Å; L189-F209 HydrophobicContact CB-CD2 3.49Å; L189-F209 VanDerWaalsContact CB-CD2 3.49Å; L189-F209 HydrophobicContact CB-CE2 3.95Å; L189-F209 HydrophobicContact CB-CG 4Å; L189-F209 HydrophobicContact CD1-CB 4.02Å; L189-F209 HydrophobicContact CD1-CD1 4.47Å; L189-F209 HydrophobicContact CD1-CD2 4.43Å; L189-F209 HydrophobicContact CD1-CG 4.07Å; L189-F209 HydrophobicContact CD2-CD1 3.84Å; L189-F209 HydrophobicContact CD2-CD2 3.69Å; L189-F209 HydrophobicContact CD2-CE1 3.76Å; L189-F209 HydrophobicContact CD2-CE2 3.61Å; L189-F209 HydrophobicContact CD2-CG 3.79Å; L189-F209 HydrophobicContact CD2-CZ 3.63Å; L189-F209 HydrophobicContact CG-CD2 4.04Å; L189-F209 HydrophobicContact CG-CE2 4.36Å; L189-F209 HydrophobicContact CG-CG 4.15Å; L189-D211 HydrophobicContact CB-CB 4.36Å; L189-D211 PolarHBondContact N-OD2 3.43Å; L189-L214 HydrophobicContact CB-CD1 3.74Å; L189-L214 HydrophobicContact CD2-CD1 4.43Å; L189-L214 WeakPolarHBondContact O-CD1 3.45Å; L189-L222 HydrophobicContact CD2-CD1 4.24Å; L189-L224 HydrophobicContact CD1-CD1 3.89Å; L189-L224 HydrophobicContact CD2-CD1 3.94Å
190	G	97.4	Very high	98.7	Very high	29 Å²	29	36.6 Å²	36.6	30%	0.299	19%	0.186	S	C	.	.	S	Bend	trans	-74.7	-159	170.2	0	0	0	0	0	112.7	V192 G193 Q194	G190-V192 PolarHBondContact O-N 3.33Å; G190-G193 PolarHBondContact O-N 3.34Å; G190-Q194 WeakPolarHBondContact O-CB 3.33Å; G190-Q194 VanDerWaalsContact O-CG 3.25Å; G190-Q194 WeakPolarHBondContact O-CG 3.33Å; G190-Q194 PolarHBondContact O-N 3.09Å
191	R	98.3	Very high	98.6	Very high	152 Å²	152	31.4 Å²	31.4	57%	0.574	17%	0.169	S	C	*	.	H	α-helix	trans	-54.1	-52.2	-176.6	-63	-179.9	-176.2	80.2	2.2	113	P128 V132 A195	P128-R191 WeakPolarHBondContact O-CD 3.41Å; V132-R191 HydrophobicContact CG1-CB 3.85Å; V132-R191 HydrophobicContact CG2-CB 3.77Å; V132-R191 HydrophobicContact CG2-CG 4.48Å; R191-A195 PolarHBondContact O-N 3.04Å; R191-A195 VanDerWaalsContact O-N 3.16Å
192	V	98.8	Very high	98.7	Very high	29 Å²	29	32.7 Å²	32.7	18%	0.176	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-45.8	180	178	0	0	0	0	111.1	V132 T135 A136 G190 Q194 A195 V196	V132-V192 HydrophobicContact CG1-CG2 4.43Å; T135-V192 HydrophobicContact CG2-CG1 3.84Å; T135-V192 HydrophobicContact CG2-CG2 4.2Å; A136-V192 HydrophobicContact CB-CG1 4.48Å; G190-V192 PolarHBondContact O-N 3.33Å; V192-Q194 VanDerWaalsContact C-N 3.29Å; V192-Q194 PolarHBondContact O-N 2.99Å; V192-A195 PolarHBondContact O-N 3.5Å; V192-A195 VanDerWaalsContact O-N 3.09Å; V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 WeakPolarHBondContact O-CG2 3.49Å; V192-V196 PolarHBondContact O-N 3.23Å
193	G	98.7	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.2	-41.2	178.8	0	0	0	0	0	112.9	G190 A197	G190-G193 PolarHBondContact O-N 3.34Å; G193-A197 WeakPolarHBondContact O-CB 3.37Å; G193-A197 PolarHBondContact O-N 3.34Å
194	Q	98.7	Very high	98.6	Very high	60 Å²	60	34 Å²	34	28%	0.28	18%	0.183	S	C	.	.	H	α-helix	trans	-65.6	-44.7	174.3	-67.1	174.7	31.1	0	0	112	L189 G190 V192 V196 A197 L198 L222	L189-Q194 HydrophobicContact CD1-CG 4.3Å; L189-Q194 HydrophobicContact CD2-CG 4.37Å; L189-Q194 HydrophobicContact CG-CG 3.82Å; L189-Q194 WeakPolarHBondContact O-CG 3.47Å; L189-Q194 PolarHBondContact O-NE2 3.3Å; G190-Q194 WeakPolarHBondContact O-CB 3.33Å; G190-Q194 VanDerWaalsContact O-CG 3.25Å; G190-Q194 WeakPolarHBondContact O-CG 3.33Å; G190-Q194 PolarHBondContact O-N 3.09Å; V192-Q194 VanDerWaalsContact C-N 3.29Å; V192-Q194 PolarHBondContact O-N 2.99Å; Q194-V196 VanDerWaalsContact C-N 3.34Å; Q194-V196 PolarHBondContact O-N 3.49Å; Q194-A197 PolarHBondContact O-N 2.73Å; Q194-L198 WeakPolarHBondContact O-CG 3.34Å; Q194-L198 PolarHBondContact O-N 3.06Å; Q194-L222 HydrophobicContact CB-CD1 4.23Å; Q194-L222 HydrophobicContact CG-CD1 3.69Å
195	A	98.8	Very high	98.6	Very high	10 Å²	10	34.6 Å²	34.6	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-40.2	178.3	0	0	0	0	0	112.3	V132 A136 R191 V192 R199	V132-A195 HydrophobicContact CG1-CB 4.26Å; A136-A195 HydrophobicContact CB-CB 3.54Å; R191-A195 PolarHBondContact O-N 3.04Å; R191-A195 VanDerWaalsContact O-N 3.16Å; V192-A195 PolarHBondContact O-N 3.5Å; V192-A195 VanDerWaalsContact O-N 3.09Å; A195-R199 WeakPolarHBondContact O-CD 3.45Å; A195-R199 WeakPolarHBondContact O-CG 3.37Å; A195-R199 PolarHBondContact O-N 3.4Å; A195-R199 PolarHBondContact O-NH1 2.88Å
196	V	98.9	Very high	98.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-46.9	173.5	172.5	0	0	0	0	110.9	A136 I143 L184 I186 V192 Q194 L198 R199 A200	A136-V196 HydrophobicContact CB-CG2 3.74Å; I143-V196 HydrophobicContact CD1-CG1 4.4Å; L184-V196 HydrophobicContact CD2-CG1 4.2Å; I186-V196 HydrophobicContact CD1-CB 4.5Å; I186-V196 HydrophobicContact CD1-CG1 4.22Å; V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 WeakPolarHBondContact O-CG2 3.49Å; V192-V196 PolarHBondContact O-N 3.23Å; Q194-V196 VanDerWaalsContact C-N 3.34Å; Q194-V196 PolarHBondContact O-N 3.49Å; V196-L198 VanDerWaalsContact C-N 3.32Å; V196-L198 PolarHBondContact O-N 2.9Å; V196-R199 PolarHBondContact O-N 3.38Å; V196-A200 VanDerWaalsContact O-CB 3.29Å; V196-A200 WeakPolarHBondContact O-CB 3.27Å; V196-A200 PolarHBondContact O-N 2.85Å
197	A	98.8	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-45.8	179.8	0	0	0	0	0	112.3	I186 L189 G193 Q194 A200 K201 V207 L224	I186-A197 HydrophobicContact CD1-CB 3.74Å; L189-A197 HydrophobicContact CD1-CB 4.4Å; G193-A197 WeakPolarHBondContact O-CB 3.37Å; G193-A197 PolarHBondContact O-N 3.34Å; Q194-A197 PolarHBondContact O-N 2.73Å; A197-A200 PolarHBondContact O-N 2.64Å; A197-K201 WeakPolarHBondContact O-CG 3.35Å; A197-K201 PolarHBondContact O-N 2.72Å; A197-V207 HydrophobicContact CB-CG1 3.85Å; A197-L224 HydrophobicContact CB-CD1 3.83Å; A197-L224 HydrophobicContact CB-CD2 4.12Å
198	L	98.4	Very high	98.6	Very high	96 Å²	96	37.7 Å²	37.7	50%	0.503	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-42.1	179.3	-70.3	174.8	0	0	0	112.1	Q194 V196 L222	Q194-L198 WeakPolarHBondContact O-CG 3.34Å; Q194-L198 PolarHBondContact O-N 3.06Å; V196-L198 VanDerWaalsContact C-N 3.32Å; V196-L198 PolarHBondContact O-N 2.9Å; L198-L222 HydrophobicContact CD2-CD2 4.21Å
199	R	98.8	Very high	98.6	Very high	59 Å²	59	37.5 Å²	37.5	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-70.2	-43.1	178.2	-68	163	166.2	66.5	-1.6	112	E133 D137 L140 A195 V196 K201 A202 F203	E133-R199 IonicContact OE1-CZ 3.77Å; E133-R199 IonicContact OE1-NH1 3.18Å; E133-R199 PolarHBondContact OE1-NH1 2.94Å; E133-R199 IonicContact OE1-NH2 2.74Å; E133-R199 PolarHBondContact OE1-NH2 2.9Å; D137-R199 IonicContact OD1-CZ 3.52Å; D137-R199 IonicContact OD1-NE 2.71Å; D137-R199 PolarHBondContact OD1-NE 3.31Å; D137-R199 IonicContact OD1-NH2 3.47Å; D137-R199 PolarHBondContact OD1-NH2 3.17Å; L140-R199 HydrophobicContact CD2-CB 3.69Å; A195-R199 WeakPolarHBondContact O-CD 3.45Å; A195-R199 WeakPolarHBondContact O-CG 3.37Å; A195-R199 PolarHBondContact O-N 3.4Å; A195-R199 PolarHBondContact O-NH1 2.88Å; V196-R199 PolarHBondContact O-N 3.38Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 2.86Å; R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.33Å; R199-A202 VanDerWaalsContact O-N 3.16Å; R199-F203 WeakPolarHBondContact O-CD2 3.49Å
200	A	98.8	Very high	98.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-34	-178.2	0	0	0	0	0	112.9	L140 L184 V196 A197 A202 F203 F205 V207	L140-A200 HydrophobicContact CD1-CB 4.31Å; L184-A200 HydrophobicContact CD2-CB 3.54Å; V196-A200 VanDerWaalsContact O-CB 3.29Å; V196-A200 WeakPolarHBondContact O-CB 3.27Å; V196-A200 PolarHBondContact O-N 2.85Å; A197-A200 PolarHBondContact O-N 2.64Å; A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 2.87Å; A200-F203 PolarHBondContact O-N 3.1Å; A200-F203 VanDerWaalsContact O-N 3.07Å; A200-F205 HydrophobicContact CB-CB 4.32Å; A200-F205 HydrophobicContact CB-CD2 3.95Å; A200-F205 HydrophobicContact CB-CG 4.48Å; A200-V207 HydrophobicContact CB-CG2 4.03Å
201	K	98.3	Very high	98.7	Very high	80 Å²	80	39.3 Å²	39.3	35%	0.348	20%	0.204	S	C	.	.	H	α-helix	trans	-55.1	-38.5	175.8	-80	-178.5	164.1	-168.7	0	113.6	A197 R199 F203 G204 V207 L222 G223 L224	A197-K201 WeakPolarHBondContact O-CG 3.35Å; A197-K201 PolarHBondContact O-N 2.72Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 2.86Å; K201-F203 PolarHBondContact O-N 2.86Å; K201-G204 PolarHBondContact O-N 3.45Å; K201-V207 HydrophobicContact CG-CG2 4.25Å; K201-L222 PolarHBondContact NZ-O 3.37Å; K201-G223 WeakPolarHBondContact CE-O 3.41Å; K201-G223 PolarHBondContact NZ-O 3.11Å; K201-L224 VanDerWaalsContact CE-CD2 3.45Å
202	A	98.5	Very high	98.7	Very high	88 Å²	88	35.3 Å²	35.3	73%	0.727	20%	0.198	S	C	*	.	H	α-helix	trans	-64.6	-26.8	-179.6	0	0	0	0	0	112.7	R199 A200 G204	R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.33Å; R199-A202 VanDerWaalsContact O-N 3.16Å; A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 2.87Å; A202-G204 VanDerWaalsContact C-N 3.28Å
203	F	98.8	Very high	98.6	Very high	86 Å²	86	41.7 Å²	41.7	38%	0.377	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.6	175.8	-68	-94.4	0	0	0	113.1	L140 L144 I179 R199 A200 K201 F205	L140-F203 HydrophobicContact CD2-CD2 4.27Å; L140-F203 HydrophobicContact CD2-CE2 3.64Å; L140-F203 HydrophobicContact CD2-CZ 4.33Å; L140-F203 HydrophobicContact CG-CE2 4.43Å; L144-F203 HydrophobicContact CD1-CE1 3.74Å; L144-F203 HydrophobicContact CD1-CZ 3.76Å; L144-F203 HydrophobicContact CD2-CD1 3.76Å; L144-F203 HydrophobicContact CD2-CE1 3.78Å; L144-F203 HydrophobicContact CD2-CG 4.4Å; L144-F203 HydrophobicContact CD2-CZ 4.45Å; L144-F203 HydrophobicContact CG-CE1 4.4Å; I179-F203 HydrophobicContact CD1-CD1 4.48Å; I179-F203 HydrophobicContact CG2-CB 3.9Å; R199-F203 WeakPolarHBondContact O-CD2 3.49Å; A200-F203 PolarHBondContact O-N 3.1Å; A200-F203 VanDerWaalsContact O-N 3.07Å; K201-F203 PolarHBondContact O-N 2.86Å; F203-F205 HydrophobicContact CB-CD2 4.23Å
204	G	98.6	Very high	98.4	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	21.2	179.5	0	0	0	0	0	114.6	G181 K201 A202	G181-G204 PolarHBondContact N-O 3.24Å; K201-G204 PolarHBondContact O-N 3.45Å; A202-G204 VanDerWaalsContact C-N 3.28Å
205	F	98.9	Very high	98.2	Very high	12 Å²	12	45.5 Å²	45.5	5%	0.053	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.4	140.6	167.7	-80.4	-72.2	0	0	0	111	I143 Y147 I179 E182 L184 A200 F203 V207	I143-F205 HydrophobicContact CG2-CE2 4Å; I143-F205 HydrophobicContact CG2-CZ 3.78Å; Y147-F205 HydrophobicContact CD2-CZ 4.06Å; Y147-F205 AromaticContact CE2-CE1 3.88Å; Y147-F205 HydrophobicContact CE2-CE1 3.88Å; Y147-F205 AromaticContact CE2-CZ 3.63Å; Y147-F205 HydrophobicContact CE2-CZ 3.63Å; Y147-F205 AromaticContact CZ-CE1 3.82Å; Y147-F205 AromaticContact CZ-CZ 3.99Å; I179-F205 HydrophobicContact CB-CZ 4.5Å; I179-F205 HydrophobicContact CG1-CZ 4.45Å; I179-F205 HydrophobicContact CG2-CD1 4.18Å; I179-F205 HydrophobicContact CG2-CD2 3.6Å; I179-F205 HydrophobicContact CG2-CE1 3.92Å; I179-F205 HydrophobicContact CG2-CE2 3.3Å; I179-F205 HydrophobicContact CG2-CG 4.04Å; I179-F205 HydrophobicContact CG2-CZ 3.48Å; I179-F205 VanDerWaalsContact CG2-CZ 3.48Å; E182-F205 HydrophobicContact CB-CD1 3.86Å; E182-F205 HydrophobicContact CB-CE1 3.74Å; E182-F205 WeakPolarHBondContact O-CA 3.37Å; E182-F205 WeakPolarHBondContact O-CD1 3.43Å; L184-F205 HydrophobicContact CB-CB 4.23Å; L184-F205 HydrophobicContact CB-CD1 3.8Å; L184-F205 HydrophobicContact CB-CE1 4.3Å; L184-F205 HydrophobicContact CB-CG 4.03Å; A200-F205 HydrophobicContact CB-CB 4.32Å; A200-F205 HydrophobicContact CB-CD2 3.95Å; A200-F205 HydrophobicContact CB-CG 4.48Å; F203-F205 HydrophobicContact CB-CD2 4.23Å; F205-V207 HydrophobicContact CB-CG2 4.1Å
206	S	98.7	Very high	98	Very high	57 Å²	57	51.4 Å²	51.4	40%	0.399	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.7	155.3	-173.5	0	0	0	0	107.8	E182 T183 L184	E182-S206 PolarHBondContact O-N 3.38Å; T183-S206 CarbonylContact C-O 3.54Å; T183-S206 VanDerWaalsContact CA-O 3.27Å; T183-S206 WeakPolarHBondContact CA-O 3.48Å; L184-S206 PolarHBondContact N-O 2.78Å
207	V	98.8	Very high	97.8	Very high	8 Å²	8	52 Å²	52	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.5	-175.5	-176.5	0	0	0	0	110.1	L184 I186 A197 A200 K201 F205 L224 Q225	L184-V207 WeakPolarHBondContact O-CA 3.23Å; I186-V207 HydrophobicContact CD1-CG1 3.76Å; I186-V207 HydrophobicContact CG1-CG1 4.47Å; A197-V207 HydrophobicContact CB-CG1 3.85Å; A200-V207 HydrophobicContact CB-CG2 4.03Å; K201-V207 HydrophobicContact CG-CG2 4.25Å; F205-V207 HydrophobicContact CB-CG2 4.1Å; V207-L224 HydrophobicContact CB-CD2 3.8Å; V207-L224 HydrophobicContact CG1-CD2 3.88Å; V207-Q225 PolarHBondContact O-N 2.86Å
208	I	98.9	Very high	97.6	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	155	174.3	71	176.1	0	0	0	109.5	T183 L184 G185 I186 Q225 M227 L233 H236	T183-I208 HydrophobicContact CG2-CB 4.49Å; T183-I208 HydrophobicContact CG2-CD1 3.71Å; T183-I208 HydrophobicContact CG2-CG1 3.84Å; T183-I208 HydrophobicContact CG2-CG2 3.9Å; L184-I208 PolarHBondContact O-N 2.98Å; G185-I208 WeakPolarHBondContact CA-O 3.3Å; I186-I208 PolarHBondContact N-O 3Å; I208-Q225 CarbonylContact C-O 3.59Å; I208-Q225 VanDerWaalsContact CA-O 3.23Å; I208-Q225 WeakPolarHBondContact CA-O 3.39Å; I208-Q225 HydrophobicContact CG2-CB 4.06Å; I208-M227 HydrophobicContact CB-CE 3.75Å; I208-M227 HydrophobicContact CB-CG 4.34Å; I208-M227 HydrophobicContact CD1-CE 3.74Å; I208-M227 HydrophobicContact CD1-CG 4.16Å; I208-M227 HydrophobicContact CG1-CE 4.32Å; I208-M227 HydrophobicContact CG2-CE 3.64Å; I208-L233 HydrophobicContact CD1-CG 4.3Å; I208-L233 HydrophobicContact CG1-CD1 4.49Å; I208-L233 HydrophobicContact CG1-CG 4.39Å; I208-H236 HydrophobicContact CD1-CB 3.78Å
209	F	98.9	Very high	97.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155	178.2	77.4	-82.6	0	0	0	113.8	I186 L189 D211 L214 E219 L224 Q225 R226 M227 L233	I186-F209 HydrophobicContact CB-CB 4.09Å; I186-F209 HydrophobicContact CG2-CB 4.43Å; I186-F209 CarbonylContact O-C 3.34Å; I186-F209 WeakPolarHBondContact O-CA 3.47Å; I186-F209 WeakPolarHBondContact O-CB 3.21Å; L189-F209 HydrophobicContact CB-CB 4.31Å; L189-F209 HydrophobicContact CB-CD2 3.49Å; L189-F209 VanDerWaalsContact CB-CD2 3.49Å; L189-F209 HydrophobicContact CB-CE2 3.95Å; L189-F209 HydrophobicContact CB-CG 4Å; L189-F209 HydrophobicContact CD1-CB 4.02Å; L189-F209 HydrophobicContact CD1-CD1 4.47Å; L189-F209 HydrophobicContact CD1-CD2 4.43Å; L189-F209 HydrophobicContact CD1-CG 4.07Å; L189-F209 HydrophobicContact CD2-CD1 3.84Å; L189-F209 HydrophobicContact CD2-CD2 3.69Å; L189-F209 HydrophobicContact CD2-CE1 3.76Å; L189-F209 HydrophobicContact CD2-CE2 3.61Å; L189-F209 HydrophobicContact CD2-CG 3.79Å; L189-F209 HydrophobicContact CD2-CZ 3.63Å; L189-F209 HydrophobicContact CG-CD2 4.04Å; L189-F209 HydrophobicContact CG-CE2 4.36Å; L189-F209 HydrophobicContact CG-CG 4.15Å; F209-D211 HydrophobicContact CD2-CB 4.17Å; F209-D211 HydrophobicContact CE2-CB 4.32Å; F209-L214 HydrophobicContact CE2-CD1 4.49Å; F209-E219 HydrophobicContact CE1-CB 3.61Å; F209-E219 HydrophobicContact CZ-CB 3.85Å; F209-L224 HydrophobicContact CD1-CB 4.01Å; F209-L224 HydrophobicContact CD1-CD1 4.36Å; F209-L224 HydrophobicContact CE1-CB 4.06Å; F209-Q225 WeakPolarHBondContact CD1-O 3.43Å; F209-Q225 PolarHBondContact N-O 2.95Å; F209-R226 HydrophobicContact CD1-CB 4.34Å; F209-R226 HydrophobicContact CD2-CG 4.32Å; F209-R226 HydrophobicContact CE1-CB 3.61Å; F209-R226 HydrophobicContact CE1-CG 4.06Å; F209-R226 HydrophobicContact CE2-CB 4.16Å; F209-R226 HydrophobicContact CE2-CG 3.65Å; F209-R226 HydrophobicContact CZ-CB 3.52Å; F209-R226 HydrophobicContact CZ-CG 3.51Å; F209-R226 CarbonylContact O-C 3.52Å; F209-R226 WeakPolarHBondContact O-CA 3.39Å; F209-M227 PolarHBondContact O-N 3.27Å; F209-L233 VanDerWaalsContact C-CD1 3.49Å
210	Y	98.9	Very high	97.3	Very high	49 Å²	49	57 Å²	57	19%	0.192	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.4	170.5	170.4	-107.5	0	0	0	108.4	I186 I187 G188 P212 L230	I186-Y210 PolarHBondContact O-N 3.44Å; I187-Y210 HydrophobicContact CG2-CD1 4.5Å; G188-Y210 PolarHBondContact N-O 2.85Å; Y210-P212 HydrophobicContact CE1-CG 4.23Å; Y210-P212 HydrophobicContact CE2-CB 4.32Å; Y210-L230 HydrophobicContact CD1-CB 4.15Å; Y210-L230 HydrophobicContact CD1-CD1 4.23Å; Y210-L230 HydrophobicContact CE1-CB 3.95Å
211	D	98.5	Very high	97.1	Very high	19 Å²	19	62 Å²	62	10%	0.102	34%	0.336	C	S	.	.			trans	-148.9	106.5	172.6	-166.6	-41.1	0	0	0	107.9	L189 F209 Y213 L214 R226	L189-D211 HydrophobicContact CB-CB 4.36Å; L189-D211 PolarHBondContact N-OD2 3.43Å; F209-D211 HydrophobicContact CD2-CB 4.17Å; F209-D211 HydrophobicContact CE2-CB 4.32Å; D211-Y213 PolarHBondContact O-N 2.92Å; D211-Y213 PolarHBondContact OD1-N 3.3Å; D211-L214 HydrophobicContact CB-CB 4.43Å; D211-L214 HydrophobicContact CB-CD1 3.84Å; D211-L214 HydrophobicContact CB-CG 4.1Å; D211-L214 PolarHBondContact OD1-N 2.87Å; D211-R226 PolarHBondContact O-NH2 3.32Å
212	P	97.4	Very high	97	Very high	68 Å²	68	60 Å²	60	44%	0.442	33%	0.328	S	S	.	.	S	Bend	trans	-76.8	-9.9	-175.3	31.2	-34.9	0	0	0	113.2	Y210	Y210-P212 HydrophobicContact CE1-CG 4.23Å; Y210-P212 HydrophobicContact CE2-CB 4.32Å
213	Y	96.6	Very high	97	Very high	163 Å²	163	58.2 Å²	58.2	64%	0.639	32%	0.319	S	S	*	.	S	Bend	trans	-102.3	-13.6	-173.9	-56.1	-61.1	0	0	0	113.4	D211	D211-Y213 PolarHBondContact O-N 2.92Å; D211-Y213 PolarHBondContact OD1-N 3.3Å
214	L	95.8	Very high	96.9	Very high	43 Å²	43	55 Å²	55	23%	0.225	31%	0.305	C	S	.	.	S	Bend	trans	-75.5	142	176.5	-73.4	176.7	0	0	0	112.4	L189 F209 D211 V218 R226	L189-L214 HydrophobicContact CB-CD1 3.74Å; L189-L214 HydrophobicContact CD2-CD1 4.43Å; L189-L214 WeakPolarHBondContact O-CD1 3.45Å; F209-L214 HydrophobicContact CE2-CD1 4.49Å; D211-L214 HydrophobicContact CB-CB 4.43Å; D211-L214 HydrophobicContact CB-CD1 3.84Å; D211-L214 HydrophobicContact CB-CG 4.1Å; D211-L214 PolarHBondContact OD1-N 2.87Å; L214-V218 HydrophobicContact CB-CG2 4.19Å; L214-V218 HydrophobicContact CD1-CG2 4.26Å; L214-R226 PolarHBondContact O-NH1 2.84Å; L214-R226 PolarHBondContact O-NH2 2.87Å
215	P	94.9	Very high	96.9	Very high	96 Å²	96	59.5 Å²	59.5	62%	0.623	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-68	159.5	168.5	31.1	-35.2	0	0	0	110.9	V218	P215-V218 WeakPolarHBondContact O-CG2 3.13Å
216	D	94.5	Very high	96.9	Very high	135 Å²	135	61.9 Å²	61.9	72%	0.722	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	147.3	176.8	-64.2	-20	0	0	0	112.5	R226	D216-R226 IonicContact OD1-NH1 3.58Å; D216-R226 PolarHBondContact OD1-NH1 3.19Å
217	G	94.2	Very high	96.9	Very high	13 Å²	13	60 Å²	60	13%	0.134	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	113.9	-20.3	171.8	0	0	0	0	0	115	E219 R220 S221	G217-E219 VanDerWaalsContact CA-OE1 3.25Å; G217-E219 WeakPolarHBondContact CA-OE1 3.47Å; G217-E219 PolarHBondContact N-OE1 2.7Å; G217-E219 PolarHBondContact N-OE2 2.74Å; G217-E219 PolarHBondContact O-N 3.27Å; G217-R220 PolarHBondContact O-N 3.29Å; G217-R220 VanDerWaalsContact O-N 3.1Å; G217-S221 PolarHBondContact O-N 3.11Å; G217-S221 VanDerWaalsContact O-N 3.16Å; G217-S221 PolarHBondContact O-OG 2.89Å
218	V	94.7	Very high	96.8	Very high	32 Å²	32	63.8 Å²	63.8	19%	0.194	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-35.8	178.9	-128.9	0	0	0	0	111.5	L214 P215 R220 S221 L222	L214-V218 HydrophobicContact CB-CG2 4.19Å; L214-V218 HydrophobicContact CD1-CG2 4.26Å; P215-V218 WeakPolarHBondContact O-CG2 3.13Å; V218-R220 VanDerWaalsContact C-N 3.3Å; V218-R220 PolarHBondContact O-N 2.87Å; V218-S221 PolarHBondContact O-N 3.26Å; V218-L222 PolarHBondContact O-N 3.41Å
219	E	94.7	Very high	96.8	Very high	33 Å²	33	66.4 Å²	66.4	15%	0.154	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-38	175.6	70.8	-68	155	0	0	112.4	F209 G217 G223 L224 R226	F209-E219 HydrophobicContact CE1-CB 3.61Å; F209-E219 HydrophobicContact CZ-CB 3.85Å; G217-E219 VanDerWaalsContact CA-OE1 3.25Å; G217-E219 WeakPolarHBondContact CA-OE1 3.47Å; G217-E219 PolarHBondContact N-OE1 2.7Å; G217-E219 PolarHBondContact N-OE2 2.74Å; G217-E219 PolarHBondContact O-N 3.27Å; E219-G223 CarbonylContact O-C 3.54Å; E219-G223 WeakPolarHBondContact O-CA 3.5Å; E219-G223 PolarHBondContact O-N 3.4Å; E219-L224 WeakPolarHBondContact CB-O 3.1Å; E219-L224 PolarHBondContact O-N 3.2Å; E219-R226 HydrophobicContact CB-CB 4.04Å; E219-R226 HydrophobicContact CG-CB 4.24Å
220	R	95.4	Very high	96.8	Very high	195 Å²	195	67.6 Å²	67.6	74%	0.736	37%	0.37	S	S	*	.	H	α-helix	trans	-72.7	-44.7	178	-69.9	-176.4	-77.1	-174	-1.2	111.3	G217 V218 L222 G223	G217-R220 PolarHBondContact O-N 3.29Å; G217-R220 VanDerWaalsContact O-N 3.1Å; V218-R220 VanDerWaalsContact C-N 3.3Å; V218-R220 PolarHBondContact O-N 2.87Å; R220-L222 VanDerWaalsContact C-N 3.3Å; R220-L222 PolarHBondContact O-N 2.85Å; R220-G223 PolarHBondContact O-N 2.99Å
221	S	96.3	Very high	96.8	Very high	105 Å²	105	69.9 Å²	69.9	73%	0.734	38%	0.382	S	S	*	.	H	α-helix	trans	-61.4	-38.1	179.9	-60.8	0	0	0	0	112.7	G217 V218	G217-S221 PolarHBondContact O-N 3.11Å; G217-S221 VanDerWaalsContact O-N 3.16Å; G217-S221 PolarHBondContact O-OG 2.89Å; V218-S221 PolarHBondContact O-N 3.26Å
222	L	95.8	Very high	96.8	Very high	37 Å²	37	71.7 Å²	71.7	19%	0.194	39%	0.392	C	S	.	.	H	α-helix	trans	-95	-4.9	-179.8	-62.8	174.7	0	0	0	113.1	L189 Q194 L198 K201 V218 R220 L224	L189-L222 HydrophobicContact CD2-CD1 4.24Å; Q194-L222 HydrophobicContact CB-CD1 4.23Å; Q194-L222 HydrophobicContact CG-CD1 3.69Å; L198-L222 HydrophobicContact CD2-CD2 4.21Å; K201-L222 PolarHBondContact NZ-O 3.37Å; V218-L222 PolarHBondContact O-N 3.41Å; R220-L222 VanDerWaalsContact C-N 3.3Å; R220-L222 PolarHBondContact O-N 2.85Å; L222-L224 HydrophobicContact CB-CD1 3.77Å; L222-L224 HydrophobicContact CB-CG 3.75Å; L222-L224 HydrophobicContact CD1-CD1 4.04Å
223	G	97.1	Very high	96.8	Very high	51 Å²	51	68.5 Å²	68.5	53%	0.526	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	46.8	-175.3	0	0	0	0	0	112.7	K201 E219 R220	K201-G223 WeakPolarHBondContact CE-O 3.41Å; K201-G223 PolarHBondContact NZ-O 3.11Å; E219-G223 CarbonylContact O-C 3.54Å; E219-G223 WeakPolarHBondContact O-CA 3.5Å; E219-G223 PolarHBondContact O-N 3.4Å; R220-G223 PolarHBondContact O-N 2.99Å
224	L	97.9	Very high	97	Very high	17 Å²	17	60.7 Å²	60.7	9%	0.089	34%	0.341	C	S	.	.			trans	-112.9	163.2	179.2	-55.1	177.1	0	0	0	109.6	L189 A197 K201 V207 F209 E219 L222	L189-L224 HydrophobicContact CD1-CD1 3.89Å; L189-L224 HydrophobicContact CD2-CD1 3.94Å; A197-L224 HydrophobicContact CB-CD1 3.83Å; A197-L224 HydrophobicContact CB-CD2 4.12Å; K201-L224 VanDerWaalsContact CE-CD2 3.45Å; V207-L224 HydrophobicContact CB-CD2 3.8Å; V207-L224 HydrophobicContact CG1-CD2 3.88Å; F209-L224 HydrophobicContact CD1-CB 4.01Å; F209-L224 HydrophobicContact CD1-CD1 4.36Å; F209-L224 HydrophobicContact CE1-CB 4.06Å; E219-L224 WeakPolarHBondContact CB-O 3.1Å; E219-L224 PolarHBondContact O-N 3.2Å; L222-L224 HydrophobicContact CB-CD1 3.77Å; L222-L224 HydrophobicContact CB-CG 3.75Å; L222-L224 HydrophobicContact CD1-CD1 4.04Å
225	Q	98.1	Very high	97.1	Very high	113 Å²	113	62 Å²	62	53%	0.528	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.1	171.7	-174.6	179.3	-8.7	0	0	110.4	V207 I208 F209 M227	V207-Q225 PolarHBondContact O-N 2.86Å; I208-Q225 CarbonylContact C-O 3.59Å; I208-Q225 VanDerWaalsContact CA-O 3.23Å; I208-Q225 WeakPolarHBondContact CA-O 3.39Å; I208-Q225 HydrophobicContact CG2-CB 4.06Å; F209-Q225 WeakPolarHBondContact CD1-O 3.43Å; F209-Q225 PolarHBondContact N-O 2.95Å; Q225-M227 VanDerWaalsContact CD-CE 3.46Å; Q225-M227 HydrophobicContact CG-CE 3.82Å; Q225-M227 VanDerWaalsContact NE2-CE 3.3Å
226	R	98.6	Very high	97.3	Very high	62 Å²	62	61.4 Å²	61.4	23%	0.234	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.4	174.3	-169.2	173.1	-173.6	-175.7	1.8	110.5	F209 D211 L214 D216 E219	F209-R226 HydrophobicContact CD1-CB 4.34Å; F209-R226 HydrophobicContact CD2-CG 4.32Å; F209-R226 HydrophobicContact CE1-CB 3.61Å; F209-R226 HydrophobicContact CE1-CG 4.06Å; F209-R226 HydrophobicContact CE2-CB 4.16Å; F209-R226 HydrophobicContact CE2-CG 3.65Å; F209-R226 HydrophobicContact CZ-CB 3.52Å; F209-R226 HydrophobicContact CZ-CG 3.51Å; F209-R226 CarbonylContact O-C 3.52Å; F209-R226 WeakPolarHBondContact O-CA 3.39Å; D211-R226 PolarHBondContact O-NH2 3.32Å; L214-R226 PolarHBondContact O-NH1 2.84Å; L214-R226 PolarHBondContact O-NH2 2.87Å; D216-R226 IonicContact OD1-NH1 3.58Å; D216-R226 PolarHBondContact OD1-NH1 3.19Å; E219-R226 HydrophobicContact CB-CB 4.04Å; E219-R226 HydrophobicContact CG-CB 4.24Å
227	M	98.4	Very high	97.5	Very high	17 Å²	17	55 Å²	55	8%	0.084	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-97.4	138.6	171.4	-62.5	-58.8	163.6	0	0	109.6	I208 F209 Q225 D232 L233	I208-M227 HydrophobicContact CB-CE 3.75Å; I208-M227 HydrophobicContact CB-CG 4.34Å; I208-M227 HydrophobicContact CD1-CE 3.74Å; I208-M227 HydrophobicContact CD1-CG 4.16Å; I208-M227 HydrophobicContact CG1-CE 4.32Å; I208-M227 HydrophobicContact CG2-CE 3.64Å; F209-M227 PolarHBondContact O-N 3.27Å; Q225-M227 VanDerWaalsContact CD-CE 3.46Å; Q225-M227 HydrophobicContact CG-CE 3.82Å; Q225-M227 VanDerWaalsContact NE2-CE 3.3Å; M227-D232 HydrophobicContact CB-CB 4.2Å; M227-D232 HydrophobicContact CG-CB 4.5Å; M227-D232 HydrophobicContact SD-CB 4.25Å; M227-L233 HydrophobicContact CB-CB 4.16Å; M227-L233 HydrophobicContact CG-CB 4.17Å
228	A	97.2	Very high	97.7	Very high	88 Å²	88	55.8 Å²	55.8	73%	0.727	30%	0.303	S	S	*	.	S	Bend	trans	-76.7	-29.6	-177	0	0	0	0	0	112.4
229	T	98.7	Very high	97.9	Very high	59 Å²	59	54.2 Å²	54.2	36%	0.362	29%	0.293	S	S	.	.	S	Bend	trans	-128.5	156.9	-179.1	73.4	0	0	0	0	111.5	Q231 D232 L233	T229-Q231 VanDerWaalsContact C-N 3.27Å; T229-Q231 PolarHBondContact O-N 2.91Å; T229-D232 PolarHBondContact O-N 3.29Å; T229-D232 PolarHBondContact OG1-N 2.84Å; T229-D232 PolarHBondContact OG1-OD2 2.88Å; T229-L233 PolarHBondContact O-N 2.97Å
230	L	98.8	Very high	98.1	Very high	24 Å²	24	52.7 Å²	52.7	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-43.1	170.9	176.3	63.2	0	0	0	110.9	I187 Y210 D232 L233 L234 L253 T258	I187-L230 HydrophobicContact CD1-CD1 3.46Å; I187-L230 VanDerWaalsContact CD1-CD1 3.46Å; I187-L230 HydrophobicContact CG1-CD1 4.05Å; Y210-L230 HydrophobicContact CD1-CB 4.15Å; Y210-L230 HydrophobicContact CD1-CD1 4.23Å; Y210-L230 HydrophobicContact CE1-CB 3.95Å; L230-D232 VanDerWaalsContact C-N 3.34Å; L230-D232 PolarHBondContact O-N 3.06Å; L230-L233 WeakPolarHBondContact O-CB 3.4Å; L230-L233 PolarHBondContact O-N 3.42Å; L230-L233 VanDerWaalsContact O-N 3.13Å; L230-L234 HydrophobicContact CD1-CD1 4.16Å; L230-L234 HydrophobicContact CD1-CD2 4.25Å; L230-L234 HydrophobicContact CD1-CG 4.05Å; L230-L234 HydrophobicContact CD2-CD1 4.36Å; L230-L234 HydrophobicContact CG-CD1 3.85Å; L230-L234 HydrophobicContact CG-CG 4.18Å; L230-L234 WeakPolarHBondContact O-CG 3.46Å; L230-L234 PolarHBondContact O-N 3.16Å; L230-L253 HydrophobicContact CD2-CD1 3.67Å; L230-L253 HydrophobicContact CD2-CG 4.07Å; L230-T258 HydrophobicContact CD2-CG2 4.1Å
231	Q	98.7	Very high	98.3	Very high	98 Å²	98	43.4 Å²	43.4	46%	0.458	25%	0.251	S	S	.	.	H	α-helix	trans	-57.4	-46.2	179.9	177.7	178.5	-4.4	0	0	111.8	T229 L233 L234 I235	T229-Q231 VanDerWaalsContact C-N 3.27Å; T229-Q231 PolarHBondContact O-N 2.91Å; Q231-L233 VanDerWaalsContact C-N 3.27Å; Q231-L233 PolarHBondContact O-N 3.49Å; Q231-L234 PolarHBondContact O-N 3.3Å; Q231-I235 HydrophobicContact CG-CD1 3.61Å; Q231-I235 HydrophobicContact CG-CG1 4.37Å; Q231-I235 WeakPolarHBondContact O-CG1 3.38Å; Q231-I235 PolarHBondContact O-N 3.26Å
232	D	98.6	Very high	98.4	Very high	57 Å²	57	38.4 Å²	38.4	31%	0.305	22%	0.216	S	C	.	.	H	α-helix	trans	-59.7	-40.9	178	-65.4	-41.6	0	0	0	111.1	M227 T229 L230 H236	M227-D232 HydrophobicContact CB-CB 4.2Å; M227-D232 HydrophobicContact CG-CB 4.5Å; M227-D232 HydrophobicContact SD-CB 4.25Å; T229-D232 PolarHBondContact O-N 3.29Å; T229-D232 PolarHBondContact OG1-N 2.84Å; T229-D232 PolarHBondContact OG1-OD2 2.88Å; L230-D232 VanDerWaalsContact C-N 3.34Å; L230-D232 PolarHBondContact O-N 3.06Å; D232-H236 PolarHBondContact O-N 3.17Å; D232-H236 PolarHBondContact O-ND1 3.3Å
233	L	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-49.2	175.3	-176.7	143.6	0	0	0	111.7	I186 I187 I208 F209 M227 T229 L230 Q231 I235 H236 S237 V240	I186-L233 VanDerWaalsContact O-CD1 3.29Å; I186-L233 WeakPolarHBondContact O-CD1 3.45Å; I187-L233 HydrophobicContact CD1-CD2 4.03Å; I187-L233 HydrophobicContact CG1-CD1 4.24Å; I187-L233 HydrophobicContact CG1-CD2 3.7Å; I208-L233 HydrophobicContact CD1-CG 4.3Å; I208-L233 HydrophobicContact CG1-CD1 4.49Å; I208-L233 HydrophobicContact CG1-CG 4.39Å; F209-L233 VanDerWaalsContact C-CD1 3.49Å; M227-L233 HydrophobicContact CB-CB 4.16Å; M227-L233 HydrophobicContact CG-CB 4.17Å; T229-L233 PolarHBondContact O-N 2.97Å; L230-L233 WeakPolarHBondContact O-CB 3.4Å; L230-L233 PolarHBondContact O-N 3.42Å; L230-L233 VanDerWaalsContact O-N 3.13Å; Q231-L233 VanDerWaalsContact C-N 3.27Å; Q231-L233 PolarHBondContact O-N 3.49Å; L233-I235 VanDerWaalsContact C-N 3.34Å; L233-I235 PolarHBondContact O-N 3.13Å; L233-H236 PolarHBondContact O-N 3.34Å; L233-S237 WeakPolarHBondContact O-CB 3.5Å; L233-S237 PolarHBondContact O-N 3.1Å; L233-S237 VanDerWaalsContact O-N 3.12Å; L233-S237 PolarHBondContact O-OG 3.45Å; L233-V240 HydrophobicContact CD2-CG1 4.33Å; L233-V240 HydrophobicContact CD2-CG2 4.24Å
234	L	98.9	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-39.1	-175.5	-63.3	176.1	0	0	0	112.3	I187 L230 Q231 H236 V240 I254 T258 Q261 M262	I187-L234 HydrophobicContact CD1-CD2 4.2Å; L230-L234 HydrophobicContact CD1-CD1 4.16Å; L230-L234 HydrophobicContact CD1-CD2 4.25Å; L230-L234 HydrophobicContact CD1-CG 4.05Å; L230-L234 HydrophobicContact CD2-CD1 4.36Å; L230-L234 HydrophobicContact CG-CD1 3.85Å; L230-L234 HydrophobicContact CG-CG 4.18Å; L230-L234 WeakPolarHBondContact O-CG 3.46Å; L230-L234 PolarHBondContact O-N 3.16Å; Q231-L234 PolarHBondContact O-N 3.3Å; L234-H236 VanDerWaalsContact C-N 3.32Å; L234-H236 PolarHBondContact O-N 2.85Å; L234-V240 HydrophobicContact CD2-CG1 4.26Å; L234-V240 HydrophobicContact CD2-CG2 4.01Å; L234-I254 HydrophobicContact CD2-CD1 4.24Å; L234-T258 HydrophobicContact CD1-CG2 4.42Å; L234-Q261 HydrophobicContact CB-CB 4.27Å; L234-Q261 HydrophobicContact CD1-CB 4.25Å; L234-M262 HydrophobicContact CB-CG 4.18Å; L234-M262 HydrophobicContact CD2-CG 3.9Å; L234-M262 HydrophobicContact CD2-SD 4.46Å; L234-M262 HydrophobicContact CG-CG 4.41Å
235	I	98.6	Very high	98.6	Very high	69 Å²	69	38.6 Å²	38.6	35%	0.354	21%	0.211	S	C	.	.	H	α-helix	trans	-69.6	-30.2	179.6	-68.2	170.8	0	0	0	112	Q231 L233 Q261 R263	Q231-I235 HydrophobicContact CG-CD1 3.61Å; Q231-I235 HydrophobicContact CG-CG1 4.37Å; Q231-I235 WeakPolarHBondContact O-CG1 3.38Å; Q231-I235 PolarHBondContact O-N 3.26Å; L233-I235 VanDerWaalsContact C-N 3.34Å; L233-I235 PolarHBondContact O-N 3.13Å; I235-Q261 WeakPolarHBondContact CG1-O 3.37Å; I235-R263 WeakPolarHBondContact O-CG 3.39Å; I235-R263 PolarHBondContact O-NE 3.01Å
236	H	98.8	Very high	98.6	Very high	85 Å²	85	35 Å²	35	39%	0.394	20%	0.196	S	C	.	.	H	α-helix	trans	-97.1	-5.2	-175.7	-65.3	93.5	0	0	0	114.2	T183 I208 D232 L233 L234 R263	T183-H236 WeakPolarHBondContact CB-O 3.19Å; T183-H236 WeakPolarHBondContact CG2-O 3.34Å; I208-H236 HydrophobicContact CD1-CB 3.78Å; D232-H236 PolarHBondContact O-N 3.17Å; D232-H236 PolarHBondContact O-ND1 3.3Å; L233-H236 PolarHBondContact O-N 3.34Å; L234-H236 VanDerWaalsContact C-N 3.32Å; L234-H236 PolarHBondContact O-N 2.85Å; H236-R263 PolarHBondContact O-NH2 3.33Å
237	S	98.9	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.			trans	-98.5	131.3	-175	-58.1	0	0	0	0	112.9	G185 L233 R263	G185-S237 WeakPolarHBondContact CA-OG 3.45Å; G185-S237 PolarHBondContact N-OG 2.84Å; L233-S237 WeakPolarHBondContact O-CB 3.5Å; L233-S237 PolarHBondContact O-N 3.1Å; L233-S237 VanDerWaalsContact O-N 3.12Å; L233-S237 PolarHBondContact O-OG 3.45Å; S237-R263 WeakPolarHBondContact O-CD 3.4Å
238	D	98.9	Very high	98.3	Very high	29 Å²	29	40.1 Å²	40.1	16%	0.155	22%	0.224	C	C	.	.	S	Bend	trans	-85.4	-28.3	168.8	-55.2	-56.1	0	0	0	110.9	E182 T183 R263 A266 F267	E182-D238 HydrophobicContact CB-CB 4.4Å; E182-D238 WeakPolarHBondContact OE2-CB 3.49Å; T183-D238 PolarHBondContact N-OD2 2.77Å; T183-D238 PolarHBondContact O-N 3.31Å; D238-R263 WeakPolarHBondContact OD1-CD 3.09Å; D238-R263 IonicContact OD1-CZ 2.9Å; D238-R263 IonicContact OD1-NE 2.72Å; D238-R263 IonicContact OD1-NH1 3.41Å; D238-R263 PolarHBondContact OD1-NH1 3.26Å; D238-R263 IonicContact OD2-NH1 3.71Å; D238-R263 PolarHBondContact OD2-NH1 3.37Å; D238-A266 CarbonylContact O-C 3.53Å; D238-A266 WeakPolarHBondContact O-CA 3.47Å; D238-A266 WeakPolarHBondContact O-CB 3.47Å; D238-F267 PolarHBondContact O-N 2.81Å
239	C	98.9	Very high	98.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.8	170.4	-179.1	0	0	0	0	109.5	Y147 T183 L184 G185 F267	Y147-C239 HydrophobicContact CE2-CB 3.89Å; T183-C239 PolarHBondContact O-N 2.82Å; T183-C239 VanDerWaalsContact O-N 3.13Å; L184-C239 CarbonylContact C-O 3.53Å; L184-C239 WeakPolarHBondContact CA-O 3.37Å; L184-C239 HydrophobicContact CD1-CB 4Å; G185-C239 PolarHBondContact N-O 2.79Å; C239-F267 WeakPolarHBondContact CA-O 3.42Å; C239-F267 HydrophobicContact CB-CB 4.06Å
240	V	99	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.2	174.8	176.3	0	0	0	0	109.1	G185 I187 L233 L234 L242 M262 F267 L268 V269	G185-V240 CarbonylContact O-C 3.53Å; G185-V240 WeakPolarHBondContact O-CA 3.32Å; I187-V240 HydrophobicContact CD1-CG1 3.63Å; I187-V240 HydrophobicContact CG1-CG1 4.22Å; L233-V240 HydrophobicContact CD2-CG1 4.33Å; L233-V240 HydrophobicContact CD2-CG2 4.24Å; L234-V240 HydrophobicContact CD2-CG1 4.26Å; L234-V240 HydrophobicContact CD2-CG2 4.01Å; V240-L242 HydrophobicContact CG1-CD2 4.37Å; V240-M262 HydrophobicContact CB-CE 3.97Å; V240-M262 HydrophobicContact CG2-CE 3.77Å; V240-F267 PolarHBondContact N-O 3Å; V240-L268 HydrophobicContact CB-CD1 4.14Å; V240-L268 HydrophobicContact CG1-CD1 4.09Å; V240-L268 CarbonylContact O-C 3.11Å; V240-L268 WeakPolarHBondContact O-CA 3.4Å; V240-V269 PolarHBondContact O-N 3.46Å
241	S	98.9	Very high	98.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128	176.5	-168	0	0	0	0	110.9	G185 I187 H243 V269	G185-S241 PolarHBondContact O-N 2.95Å; I187-S241 PolarHBondContact N-O 2.91Å; S241-H243 PolarHBondContact OG-CE1 2.95Å; S241-H243 VanDerWaalsContact OG-CE1 3.25Å; S241-H243 PolarHBondContact OG-NE2 2.93Å; S241-V269 WeakPolarHBondContact CA-O 3.38Å
242	L	98.9	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.3	-179	-55.3	-176.5	0	0	0	110.7	I187 V240 I254 V269 N270 S272 L276 V277	I187-L242 HydrophobicContact CB-CD2 3.89Å; I187-L242 HydrophobicContact CD1-CD2 3.61Å; I187-L242 HydrophobicContact CG1-CD2 4.23Å; I187-L242 HydrophobicContact CG2-CD2 4.32Å; V240-L242 HydrophobicContact CG1-CD2 4.37Å; L242-I254 HydrophobicContact CD1-CG1 4.07Å; L242-I254 HydrophobicContact CD2-CD1 4.33Å; L242-I254 HydrophobicContact CD2-CG1 4.03Å; L242-V269 PolarHBondContact N-O 3.07Å; L242-N270 HydrophobicContact CD1-CB 4.13Å; L242-S272 PolarHBondContact O-OG 3.42Å; L242-L276 HydrophobicContact CB-CD1 4.43Å; L242-L276 HydrophobicContact CD1-CB 3.95Å; L242-L276 HydrophobicContact CD1-CD1 4.37Å; L242-V277 HydrophobicContact CD1-CG2 3.51Å
243	H	98.8	Very high	98.3	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.083	21%	0.208	C	C	.	.			trans	-136.4	20.6	178.9	-62.8	-50.4	0	0	0	112.8	S139 I186 I187 G188 S241 T271 S272	S139-H243 PolarHBondContact OG-CE1 3.05Å; I186-H243 HydrophobicContact CG2-CB 4.47Å; I187-H243 CarbonylContact O-C 3.53Å; I187-H243 WeakPolarHBondContact O-CA 3.23Å; I187-H243 PolarHBondContact O-N 3.35Å; G188-H243 WeakPolarHBondContact O-CB 3.5Å; S241-H243 PolarHBondContact OG-CE1 2.95Å; S241-H243 VanDerWaalsContact OG-CE1 3.25Å; S241-H243 PolarHBondContact OG-NE2 2.93Å; H243-T271 PolarHBondContact CE1-OG1 3.04Å; H243-S272 WeakPolarHBondContact CA-OG 3.36Å; H243-S272 PolarHBondContact N-OG 3.15Å
244	C	98.5	Very high	98.3	Very high	23 Å²	23	41.3 Å²	41.3	16%	0.155	21%	0.208	C	C	.	.	S	Bend	trans	-97.8	151.4	175.7	62.1	0	0	0	0	111.4	I187 S272	I187-C244 PolarHBondContact O-N 3.45Å; I187-C244 VanDerWaalsContact O-N 3.13Å; C244-S272 WeakPolarHBondContact O-CB 3.38Å; C244-S272 PolarHBondContact O-OG 3.05Å
245	S	97.2	Very high	98.3	Very high	68 Å²	68	43.5 Å²	43.5	48%	0.476	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-73.7	146.2	172.2	53.9	0	0	0	0	111	N247 N250	S245-N247 PolarHBondContact O-ND2 2.78Å; S245-N250 PolarHBondContact O-ND2 3.4Å
246	L	98.2	Very high	98.3	Very high	37 Å²	37	44 Å²	44	19%	0.194	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-68.3	134.5	168.6	-175.9	63.4	0	0	0	109.8	D110 H251 R273 L276	D110-L246 HydrophobicContact CB-CB 4.09Å; D110-L246 HydrophobicContact CB-CD2 4.39Å; D110-L246 HydrophobicContact CB-CG 4.49Å; L246-H251 HydrophobicContact CD1-CB 4.42Å; L246-R273 HydrophobicContact CB-CB 3.85Å; L246-R273 HydrophobicContact CB-CG 3.85Å; L246-R273 HydrophobicContact CD2-CB 4.4Å; L246-L276 HydrophobicContact CB-CD2 4.44Å; L246-L276 HydrophobicContact CD1-CD2 3.89Å; L246-L276 HydrophobicContact CD1-CG 4.32Å
247	N	95.7	Very high	98.3	Very high	49 Å²	49	46.3 Å²	46.3	26%	0.262	23%	0.232	S	C	.	.			trans	-151.2	177.9	177	62.1	69.9	0	0	0	110.2	S245 H249 N250	S245-N247 PolarHBondContact O-ND2 2.78Å; N247-H249 PolarHBondContact O-N 3.35Å; N247-H249 WeakPolarHBondContact OD1-CB 3.06Å; N247-H249 PolarHBondContact OD1-N 3.24Å; N247-N250 PolarHBondContact N-OD1 3.16Å; N247-N250 PolarHBondContact ND2-ND2 2.97Å; N247-N250 PolarHBondContact ND2-OD1 3.42Å; N247-N250 PolarHBondContact O-N 2.9Å; N247-N250 PolarHBondContact O-OD1 3.43Å; N247-N250 VanDerWaalsContact O-OD1 3.06Å; N247-N250 PolarHBondContact OD1-OD1 3.36Å
248	E	94.6	Very high	98.3	Very high	138 Å²	138	46.8 Å²	46.8	65%	0.645	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.3	-175.3	-62.5	174	174.5	0	0	114.2	K115	K115-E248 WeakPolarHBondContact CE-OE1 3.45Å; K115-E248 IonicContact NZ-OE1 3.45Å; K115-E248 PolarHBondContact NZ-OE1 2.98Å; K115-E248 IonicContact NZ-OE2 3.35Å; K115-E248 PolarHBondContact NZ-OE2 2.95Å
249	H	97.3	Very high	98.3	Very high	151 Å²	151	45.5 Å²	45.5	70%	0.699	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-5.8	-172.4	-54	-82.8	0	0	0	114.2	N247	N247-H249 PolarHBondContact O-N 3.35Å; N247-H249 WeakPolarHBondContact OD1-CB 3.06Å; N247-H249 PolarHBondContact OD1-N 3.24Å
250	N	98.4	Very high	98.3	Very high	16 Å²	16	51.1 Å²	51.1	9%	0.086	25%	0.253	C	S	.	.			trans	-132	17.4	-173.6	71.5	-2	0	0	0	114.4	S245 N247 H252 L253 L276	S245-N250 PolarHBondContact O-ND2 3.4Å; N247-N250 PolarHBondContact N-OD1 3.16Å; N247-N250 PolarHBondContact ND2-ND2 2.97Å; N247-N250 PolarHBondContact ND2-OD1 3.42Å; N247-N250 PolarHBondContact O-N 2.9Å; N247-N250 PolarHBondContact O-OD1 3.43Å; N247-N250 VanDerWaalsContact O-OD1 3.06Å; N247-N250 PolarHBondContact OD1-OD1 3.36Å; N250-H252 PolarHBondContact O-N 3.11Å; N250-L253 HydrophobicContact CB-CB 4.28Å; N250-L253 HydrophobicContact CB-CD1 4.22Å; N250-L253 WeakPolarHBondContact O-CB 3.49Å; N250-L253 PolarHBondContact O-N 2.8Å; N250-L253 VanDerWaalsContact O-N 3.1Å; N250-L276 HydrophobicContact CB-CD2 4.4Å
251	H	98.6	Very high	98.2	Very high	116 Å²	116	52.7 Å²	52.7	54%	0.537	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	129.7	165.8	-176.8	-85.8	0	0	0	110.2	L246 L253 G275	L246-H251 HydrophobicContact CD1-CB 4.42Å; H251-L253 PolarHBondContact O-N 3.21Å; H251-G275 WeakPolarHBondContact CA-O 3.33Å
252	H	98.8	Very high	98.2	Very high	38 Å²	38	53.2 Å²	53.2	18%	0.176	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	42.9	-171.6	-67.3	-163.6	0	0	0	112.3	N250 I254 N255 G275 L276 D278 E300	N250-H252 PolarHBondContact O-N 3.11Å; H252-I254 PolarHBondContact O-N 2.61Å; H252-N255 HydrophobicContact CB-CB 4.38Å; H252-N255 WeakPolarHBondContact O-CB 3.35Å; H252-N255 PolarHBondContact O-ND2 2.92Å; H252-G275 PolarHBondContact N-O 3.35Å; H252-L276 CarbonylContact C-O 3.4Å; H252-D278 HydrophobicContact CB-CB 4.31Å; H252-D278 IonicContact ND1-OD2 3.62Å; H252-E300 IonicContact CE1-OE1 3.5Å; H252-E300 IonicContact NE2-OE1 2.76Å; H252-E300 PolarHBondContact NE2-OE1 3.27Å; H252-E300 IonicContact NE2-OE2 3.36Å
253	L	98.9	Very high	98.2	Very high	31 Å²	31	57.6 Å²	57.6	16%	0.162	28%	0.279	C	S	.	.	S	Bend	trans	-51.2	-40.5	172	-174.4	67.2	0	0	0	111.7	I187 L230 N250 H251 T258 L276	I187-L253 HydrophobicContact CG2-CD2 3.62Å; L230-L253 HydrophobicContact CD2-CD1 3.67Å; L230-L253 HydrophobicContact CD2-CG 4.07Å; N250-L253 HydrophobicContact CB-CB 4.28Å; N250-L253 HydrophobicContact CB-CD1 4.22Å; N250-L253 WeakPolarHBondContact O-CB 3.49Å; N250-L253 PolarHBondContact O-N 2.8Å; N250-L253 VanDerWaalsContact O-N 3.1Å; H251-L253 PolarHBondContact O-N 3.21Å; L253-T258 WeakPolarHBondContact O-CG2 3.4Å; L253-T258 PolarHBondContact O-OG1 2.99Å; L253-T258 VanDerWaalsContact O-OG1 3.13Å; L253-L276 PolarHBondContact N-O 3.07Å
254	I	98.9	Very high	98.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-98.3	97.1	170.1	-54.2	-57.8	0	0	0	108.2	I187 L234 L242 H252 T258 I259 L268 L276 V277 D278	I187-I254 HydrophobicContact CD1-CD1 4.08Å; L234-I254 HydrophobicContact CD2-CD1 4.24Å; L242-I254 HydrophobicContact CD1-CG1 4.07Å; L242-I254 HydrophobicContact CD2-CD1 4.33Å; L242-I254 HydrophobicContact CD2-CG1 4.03Å; H252-I254 PolarHBondContact O-N 2.61Å; I254-T258 WeakPolarHBondContact CA-OG1 3.45Å; I254-I259 HydrophobicContact CG2-CD1 4.04Å; I254-I259 HydrophobicContact CG2-CG1 3.62Å; I254-L268 HydrophobicContact CG2-CD2 4.12Å; I254-L276 PolarHBondContact N-O 3.27Å; I254-V277 HydrophobicContact CB-CB 4.48Å; I254-V277 HydrophobicContact CB-CG1 4.35Å; I254-V277 HydrophobicContact CB-CG2 4.13Å; I254-V277 HydrophobicContact CG1-CG2 4.41Å; I254-V277 HydrophobicContact CG2-CG1 4.31Å; I254-V277 WeakPolarHBondContact O-CA 3.48Å; I254-D278 PolarHBondContact O-N 3.35Å
255	N	98.8	Very high	98.2	Very high	46 Å²	46	63 Å²	63	25%	0.246	31%	0.307	C	S	.	.			trans	-123	-177.1	179.1	57.9	56.7	0	0	0	111.5	H252 F257 T258 I259 D278	H252-N255 HydrophobicContact CB-CB 4.38Å; H252-N255 WeakPolarHBondContact O-CB 3.35Å; H252-N255 PolarHBondContact O-ND2 2.92Å; N255-F257 PolarHBondContact O-N 3.27Å; N255-F257 WeakPolarHBondContact OD1-CA 3.07Å; N255-F257 WeakPolarHBondContact OD1-CB 3.31Å; N255-F257 PolarHBondContact OD1-N 3.21Å; N255-T258 PolarHBondContact N-OG1 2.84Å; N255-T258 PolarHBondContact O-N 3.24Å; N255-T258 PolarHBondContact O-OG1 3.44Å; N255-T258 PolarHBondContact OD1-N 3.06Å; N255-T258 VanDerWaalsContact OD1-N 3.09Å; N255-T258 PolarHBondContact OD1-OG1 3.33Å; N255-I259 VanDerWaalsContact O-CB 3.27Å; N255-I259 WeakPolarHBondContact O-CB 3.43Å; N255-I259 VanDerWaalsContact O-CG1 3.23Å; N255-I259 WeakPolarHBondContact O-CG1 3.46Å; N255-I259 PolarHBondContact O-N 3.26Å; N255-D278 HydrophobicContact CB-CB 4.32Å
256	D	98.6	Very high	98.2	Very high	78 Å²	78	59.9 Å²	59.9	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-52.1	-38.6	179	175.6	70.9	0	0	0	113.4	K260 A281	D256-K260 VanDerWaalsContact CG-NZ 3.33Å; D256-K260 WeakPolarHBondContact O-CD 3.29Å; D256-K260 VanDerWaalsContact O-CG 3.31Å; D256-K260 WeakPolarHBondContact O-CG 3.32Å; D256-K260 PolarHBondContact O-N 2.76Å; D256-K260 WeakPolarHBondContact OD1-CE 3.41Å; D256-K260 IonicContact OD1-NZ 2.63Å; D256-K260 PolarHBondContact OD1-NZ 2.86Å; D256-K260 WeakPolarHBondContact OD2-CE 3.4Å; D256-K260 IonicContact OD2-NZ 2.7Å; D256-K260 PolarHBondContact OD2-NZ 2.8Å; D256-A281 HydrophobicContact CB-CB 4.03Å
257	F	98.8	Very high	98.3	Very high	134 Å²	134	58.2 Å²	58.2	59%	0.588	28%	0.276	S	S	*	.	H	α-helix	trans	-72.3	-48.7	179.9	175.7	-103.1	0	0	0	112.1	N255 K260 Q261	N255-F257 PolarHBondContact O-N 3.27Å; N255-F257 WeakPolarHBondContact OD1-CA 3.07Å; N255-F257 WeakPolarHBondContact OD1-CB 3.31Å; N255-F257 PolarHBondContact OD1-N 3.21Å; F257-K260 WeakPolarHBondContact O-CB 3.45Å; F257-K260 PolarHBondContact O-N 3.48Å; F257-Q261 VanDerWaalsContact CZ-NE2 3.31Å
258	T	98.8	Very high	98.4	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	26%	0.264	C	S	.	.	H	α-helix	trans	-71.7	-31.8	-178.7	53.9	0	0	0	0	112.2	L230 L234 L253 I254 N255 K260 Q261 M262	L230-T258 HydrophobicContact CD2-CG2 4.1Å; L234-T258 HydrophobicContact CD1-CG2 4.42Å; L253-T258 WeakPolarHBondContact O-CG2 3.4Å; L253-T258 PolarHBondContact O-OG1 2.99Å; L253-T258 VanDerWaalsContact O-OG1 3.13Å; I254-T258 WeakPolarHBondContact CA-OG1 3.45Å; N255-T258 PolarHBondContact N-OG1 2.84Å; N255-T258 PolarHBondContact O-N 3.24Å; N255-T258 PolarHBondContact O-OG1 3.44Å; N255-T258 PolarHBondContact OD1-N 3.06Å; N255-T258 VanDerWaalsContact OD1-N 3.09Å; N255-T258 PolarHBondContact OD1-OG1 3.33Å; T258-K260 PolarHBondContact O-N 2.8Å; T258-Q261 WeakPolarHBondContact O-CB 3.22Å; T258-Q261 PolarHBondContact O-N 3.08Å; T258-M262 PolarHBondContact O-N 3.01Å
259	I	98.9	Very high	98.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-35.7	173.4	-76.7	172.4	0	0	0	111.2	I254 N255 Q261 M262 A281 A285 I291	I254-I259 HydrophobicContact CG2-CD1 4.04Å; I254-I259 HydrophobicContact CG2-CG1 3.62Å; N255-I259 VanDerWaalsContact O-CB 3.27Å; N255-I259 WeakPolarHBondContact O-CB 3.43Å; N255-I259 VanDerWaalsContact O-CG1 3.23Å; N255-I259 WeakPolarHBondContact O-CG1 3.46Å; N255-I259 PolarHBondContact O-N 3.26Å; I259-Q261 PolarHBondContact O-N 2.58Å; I259-M262 HydrophobicContact CG1-SD 4.4Å; I259-M262 WeakPolarHBondContact O-CB 3.49Å; I259-M262 PolarHBondContact O-N 2.91Å; I259-M262 VanDerWaalsContact O-N 3.16Å; I259-A281 HydrophobicContact CD1-CB 3.85Å; I259-A285 HydrophobicContact CD1-CB 4.47Å; I259-A285 HydrophobicContact CG2-CB 3.6Å; I259-I291 HydrophobicContact CG2-CG1 4.43Å
260	K	98.6	Very high	98.7	Very high	118 Å²	118	42.2 Å²	42.2	51%	0.513	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.9	175.5	-70.3	164.1	-176.8	166.1	0	113.5	D256 F257 T258	D256-K260 VanDerWaalsContact CG-NZ 3.33Å; D256-K260 WeakPolarHBondContact O-CD 3.29Å; D256-K260 VanDerWaalsContact O-CG 3.31Å; D256-K260 WeakPolarHBondContact O-CG 3.32Å; D256-K260 PolarHBondContact O-N 2.76Å; D256-K260 WeakPolarHBondContact OD1-CE 3.41Å; D256-K260 IonicContact OD1-NZ 2.63Å; D256-K260 PolarHBondContact OD1-NZ 2.86Å; D256-K260 WeakPolarHBondContact OD2-CE 3.4Å; D256-K260 IonicContact OD2-NZ 2.7Å; D256-K260 PolarHBondContact OD2-NZ 2.8Å; F257-K260 WeakPolarHBondContact O-CB 3.45Å; F257-K260 PolarHBondContact O-N 3.48Å; T258-K260 PolarHBondContact O-N 2.8Å
261	Q	98.7	Very high	98.7	Very high	34 Å²	34	41.8 Å²	41.8	16%	0.159	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-16.8	175.5	-55.5	179.3	-4.1	0	0	112.6	L234 I235 F257 T258 I259	L234-Q261 HydrophobicContact CB-CB 4.27Å; L234-Q261 HydrophobicContact CD1-CB 4.25Å; I235-Q261 WeakPolarHBondContact CG1-O 3.37Å; F257-Q261 VanDerWaalsContact CZ-NE2 3.31Å; T258-Q261 WeakPolarHBondContact O-CB 3.22Å; T258-Q261 PolarHBondContact O-N 3.08Å; I259-Q261 PolarHBondContact O-N 2.58Å
262	M	98.9	Very high	98.7	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.049	18%	0.177	C	C	.	.	S	Bend	trans	-67.5	150.5	175.9	-63.8	-179.7	67.2	0	0	110.4	L234 V240 T258 I259 A266 L268 I291	L234-M262 HydrophobicContact CB-CG 4.18Å; L234-M262 HydrophobicContact CD2-CG 3.9Å; L234-M262 HydrophobicContact CD2-SD 4.46Å; L234-M262 HydrophobicContact CG-CG 4.41Å; V240-M262 HydrophobicContact CB-CE 3.97Å; V240-M262 HydrophobicContact CG2-CE 3.77Å; T258-M262 PolarHBondContact O-N 3.01Å; I259-M262 HydrophobicContact CG1-SD 4.4Å; I259-M262 WeakPolarHBondContact O-CB 3.49Å; I259-M262 PolarHBondContact O-N 2.91Å; I259-M262 VanDerWaalsContact O-N 3.16Å; M262-A266 HydrophobicContact CE-CB 4.19Å; M262-L268 HydrophobicContact CE-CB 4.47Å; M262-L268 HydrophobicContact CE-CD1 4.42Å; M262-I291 HydrophobicContact CB-CD1 4.27Å; M262-I291 HydrophobicContact CE-CD1 3.48Å; M262-I291 VanDerWaalsContact CE-CD1 3.48Å; M262-I291 HydrophobicContact SD-CD1 3.68Å
263	R	98.5	Very high	98.7	Very high	92 Å²	92	36.7 Å²	36.7	35%	0.347	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-56.6	142.3	173	-69.5	-171.2	171.3	179.2	-0.1	111.1	I235 H236 S237 D238 G265 A266	I235-R263 WeakPolarHBondContact O-CG 3.39Å; I235-R263 PolarHBondContact O-NE 3.01Å; H236-R263 PolarHBondContact O-NH2 3.33Å; S237-R263 WeakPolarHBondContact O-CD 3.4Å; D238-R263 WeakPolarHBondContact OD1-CD 3.09Å; D238-R263 IonicContact OD1-CZ 2.9Å; D238-R263 IonicContact OD1-NE 2.72Å; D238-R263 IonicContact OD1-NH1 3.41Å; D238-R263 PolarHBondContact OD1-NH1 3.26Å; D238-R263 IonicContact OD2-NH1 3.71Å; D238-R263 PolarHBondContact OD2-NH1 3.37Å; R263-G265 PolarHBondContact O-N 3.49Å; R263-A266 HydrophobicContact CB-CB 4.24Å; R263-A266 WeakPolarHBondContact O-CB 3.48Å; R263-A266 PolarHBondContact O-N 3.48Å
264	Q	98.4	Very high	98.7	Very high	140 Å²	140	35.5 Å²	35.5	65%	0.654	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	123.6	172.5	-178	64.6	30.9	0	0	109.9	A266 G289	Q264-A266 VanDerWaalsContact C-N 3.34Å; Q264-G289 PolarHBondContact NE2-O 3.11Å
265	G	97.8	Very high	98.7	Very high	15 Å²	15	36.1 Å²	36.1	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	23.1	-179.1	0	0	0	0	0	114.2	R263 R290 R292	R263-G265 PolarHBondContact O-N 3.49Å; G265-R290 WeakPolarHBondContact CA-O 3.48Å; G265-R290 PolarHBondContact N-O 3.41Å; G265-R292 WeakPolarHBondContact O-CB 3.39Å; G265-R292 PolarHBondContact O-NE 3.41Å
266	A	98.8	Very high	98.7	Very high	2 Å²	2	34 Å²	34	2%	0.017	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	161.7	170.4	0	0	0	0	0	112.1	D238 M262 R263 Q264 I291 R292	D238-A266 CarbonylContact O-C 3.53Å; D238-A266 WeakPolarHBondContact O-CA 3.47Å; D238-A266 WeakPolarHBondContact O-CB 3.47Å; M262-A266 HydrophobicContact CE-CB 4.19Å; R263-A266 HydrophobicContact CB-CB 4.24Å; R263-A266 WeakPolarHBondContact O-CB 3.48Å; R263-A266 PolarHBondContact O-N 3.48Å; Q264-A266 VanDerWaalsContact C-N 3.34Å; A266-I291 HydrophobicContact CB-CD1 4.42Å; A266-R292 PolarHBondContact O-N 3.19Å
267	F	98.9	Very high	98.7	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.013	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	150.1	170.6	-71.1	-56.6	0	0	0	111.8	L146 Y147 D238 C239 V240 R292 G293	L146-F267 HydrophobicContact CB-CD1 3.79Å; L146-F267 HydrophobicContact CB-CD2 4.33Å; L146-F267 HydrophobicContact CB-CE1 3.83Å; L146-F267 HydrophobicContact CB-CE2 4.36Å; L146-F267 HydrophobicContact CB-CG 4.03Å; L146-F267 HydrophobicContact CB-CZ 4.1Å; L146-F267 HydrophobicContact CD1-CB 3.9Å; L146-F267 HydrophobicContact CD1-CD1 4Å; L146-F267 HydrophobicContact CD1-CG 4.11Å; L146-F267 HydrophobicContact CD2-CD1 4.29Å; L146-F267 HydrophobicContact CD2-CE1 4.46Å; L146-F267 HydrophobicContact CG-CD1 4.25Å; L146-F267 WeakPolarHBondContact O-CZ 3.49Å; Y147-F267 HydrophobicContact CD1-CE2 4.17Å; Y147-F267 HydrophobicContact CD2-CD2 4.02Å; Y147-F267 HydrophobicContact CD2-CE2 4.06Å; Y147-F267 HydrophobicContact CE1-CD2 4.33Å; Y147-F267 HydrophobicContact CE1-CE2 4.11Å; Y147-F267 AromaticContact CE2-CD2 3.65Å; Y147-F267 HydrophobicContact CE2-CD2 3.65Å; Y147-F267 HydrophobicContact CE2-CE2 4.05Å; Y147-F267 HydrophobicContact CG-CE2 4.12Å; Y147-F267 AromaticContact CZ-CD2 3.81Å; D238-F267 PolarHBondContact O-N 2.81Å; C239-F267 WeakPolarHBondContact CA-O 3.42Å; C239-F267 HydrophobicContact CB-CB 4.06Å; V240-F267 PolarHBondContact N-O 3Å; F267-R292 HydrophobicContact CD1-CB 4.2Å; F267-R292 HydrophobicContact CD1-CG 4.43Å; F267-R292 HydrophobicContact CE1-CB 3.97Å; F267-R292 VanDerWaalsContact CE1-CD 3.5Å; F267-R292 HydrophobicContact CE1-CG 3.7Å; F267-R292 HydrophobicContact CZ-CG 4.05Å; F267-G293 WeakPolarHBondContact CA-O 3.44Å
268	L	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.1	173.6	-178.4	65.6	0	0	0	111.1	V240 I254 M262 V277 L282 G293 A294 A295	V240-L268 HydrophobicContact CB-CD1 4.14Å; V240-L268 HydrophobicContact CG1-CD1 4.09Å; V240-L268 CarbonylContact O-C 3.11Å; V240-L268 WeakPolarHBondContact O-CA 3.4Å; I254-L268 HydrophobicContact CG2-CD2 4.12Å; M262-L268 HydrophobicContact CE-CB 4.47Å; M262-L268 HydrophobicContact CE-CD1 4.42Å; L268-V277 HydrophobicContact CD2-CG1 4.33Å; L268-V277 HydrophobicContact CD2-CG2 4.49Å; L268-L282 HydrophobicContact CD2-CD1 3.84Å; L268-L282 HydrophobicContact CD2-CD2 4.21Å; L268-G293 PolarHBondContact N-O 3.44Å; L268-A294 HydrophobicContact CB-CB 4.32Å; L268-A294 CarbonylContact O-C 3.57Å; L268-A294 WeakPolarHBondContact O-CA 3.5Å; L268-A295 PolarHBondContact O-N 3.32Å
269	V	99	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.3	174.7	-178.2	0	0	0	0	110.1	L142 I143 L146 V240 S241 L242 T271 A295	L142-V269 HydrophobicContact CB-CG1 4.11Å; L142-V269 HydrophobicContact CD1-CG1 4.33Å; I143-V269 HydrophobicContact CG1-CB 4.4Å; I143-V269 HydrophobicContact CG1-CG2 3.75Å; L146-V269 HydrophobicContact CD1-CG2 3.66Å; V240-V269 PolarHBondContact O-N 3.46Å; S241-V269 WeakPolarHBondContact CA-O 3.38Å; L242-V269 PolarHBondContact N-O 3.07Å; V269-T271 HydrophobicContact CG1-CG2 4.39Å; V269-A295 CarbonylContact C-O 3.55Å; V269-A295 VanDerWaalsContact CA-O 3.3Å; V269-A295 WeakPolarHBondContact CA-O 3.27Å; V269-A295 HydrophobicContact CG2-CB 4.31Å
270	N	98.9	Very high	98.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108.5	174.8	-170.8	9.4	0	0	0	111.2	L242 S272 R273 V277 A295 L296 D297 V298	L242-N270 HydrophobicContact CD1-CB 4.13Å; N270-S272 PolarHBondContact OD1-N 3.16Å; N270-R273 PolarHBondContact ND2-O 2.81Å; N270-V277 HydrophobicContact CB-CG2 4.48Å; N270-A295 PolarHBondContact N-O 2.94Å; N270-L296 HydrophobicContact CB-CD2 3.72Å; N270-D297 PolarHBondContact O-N 3.18Å; N270-V298 HydrophobicContact CB-CG2 4.4Å
271	T	98.8	Very high	98.7	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.043	14%	0.137	C	C	.	.			trans	-117.1	18.5	170.1	54	0	0	0	0	111.4	S139 L142 H243 V269 D297	S139-T271 WeakPolarHBondContact OG-CG2 3.34Å; S139-T271 PolarHBondContact OG-OG1 3.16Å; L142-T271 HydrophobicContact CD1-CG2 3.75Å; H243-T271 PolarHBondContact CE1-OG1 3.04Å; V269-T271 HydrophobicContact CG1-CG2 4.39Å; T271-D297 HydrophobicContact CG2-CB 3.95Å
272	S	98.5	Very high	98.7	Very high	13 Å²	13	26.2 Å²	26.2	9%	0.091	13%	0.129	C	C	.	.	S	Bend	trans	-99.1	-88.3	-177.6	-71.8	0	0	0	0	111.5	L242 H243 C244 N270	L242-S272 PolarHBondContact O-OG 3.42Å; H243-S272 WeakPolarHBondContact CA-OG 3.36Å; H243-S272 PolarHBondContact N-OG 3.15Å; C244-S272 WeakPolarHBondContact O-CB 3.38Å; C244-S272 PolarHBondContact O-OG 3.05Å; N270-S272 PolarHBondContact OD1-N 3.16Å
273	R	98.6	Very high	98.7	Very high	35 Å²	35	26 Å²	26	13%	0.132	13%	0.129	C	C	.	.			trans	-142.3	143.5	179	-69	-64.2	179.6	-106.6	17.6	110.4	D110 L246 N270 L276 V298	D110-R273 IonicContact OD1-CZ 3.97Å; D110-R273 IonicContact OD1-NE 3.62Å; D110-R273 PolarHBondContact OD1-NE 2.89Å; D110-R273 IonicContact OD1-NH2 2.7Å; D110-R273 WeakPolarHBondContact OD2-CD 3.25Å; D110-R273 IonicContact OD2-NE 3.38Å; D110-R273 PolarHBondContact OD2-NE 3.03Å; L246-R273 HydrophobicContact CB-CB 3.85Å; L246-R273 HydrophobicContact CB-CG 3.85Å; L246-R273 HydrophobicContact CD2-CB 4.4Å; N270-R273 PolarHBondContact ND2-O 2.81Å; R273-L276 HydrophobicContact CB-CD1 4.21Å; R273-L276 HydrophobicContact CB-CG 4.22Å; R273-L276 WeakPolarHBondContact O-CB 3.37Å; R273-L276 PolarHBondContact O-N 3.29Å; R273-V298 VanDerWaalsContact C-CG2 3.45Å
274	G	98.4	Very high	98.7	Very high	6 Å²	6	25.9 Å²	25.9	6%	0.062	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-57.7	-49.5	-179.3	0	0	0	0	0	113.3	L276 V277 H299	G274-L276 PolarHBondContact O-N 2.92Å; G274-V277 PolarHBondContact O-N 3.41Å; G274-H299 WeakPolarHBondContact CA-O 3.36Å
275	G	98.4	Very high	98.7	Very high	13 Å²	13	19.2 Å²	19.2	13%	0.134	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-63.9	2.5	-178.9	0	0	0	0	0	116.3	H251 H252 V277	H251-G275 WeakPolarHBondContact CA-O 3.33Å; H252-G275 PolarHBondContact N-O 3.35Å; G275-V277 VanDerWaalsContact C-N 3.33Å
276	L	98.9	Very high	98.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-78.7	-19.5	169.4	-65.9	170.9	0	0	0	112.6	L242 L246 N250 H252 L253 I254 R273 G274	L242-L276 HydrophobicContact CB-CD1 4.43Å; L242-L276 HydrophobicContact CD1-CB 3.95Å; L242-L276 HydrophobicContact CD1-CD1 4.37Å; L246-L276 HydrophobicContact CB-CD2 4.44Å; L246-L276 HydrophobicContact CD1-CD2 3.89Å; L246-L276 HydrophobicContact CD1-CG 4.32Å; N250-L276 HydrophobicContact CB-CD2 4.4Å; H252-L276 CarbonylContact C-O 3.4Å; L253-L276 PolarHBondContact N-O 3.07Å; I254-L276 PolarHBondContact N-O 3.27Å; R273-L276 HydrophobicContact CB-CD1 4.21Å; R273-L276 HydrophobicContact CB-CG 4.22Å; R273-L276 WeakPolarHBondContact O-CB 3.37Å; R273-L276 PolarHBondContact O-N 3.29Å; G274-L276 PolarHBondContact O-N 2.92Å
277	V	98.9	Very high	98.8	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.012	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-121.9	129.4	-175.2	-176.7	0	0	0	0	109.1	L242 I254 L268 N270 G274 G275 E279 L282 E300	L242-V277 HydrophobicContact CD1-CG2 3.51Å; I254-V277 HydrophobicContact CB-CB 4.48Å; I254-V277 HydrophobicContact CB-CG1 4.35Å; I254-V277 HydrophobicContact CB-CG2 4.13Å; I254-V277 HydrophobicContact CG1-CG2 4.41Å; I254-V277 HydrophobicContact CG2-CG1 4.31Å; I254-V277 WeakPolarHBondContact O-CA 3.48Å; L268-V277 HydrophobicContact CD2-CG1 4.33Å; L268-V277 HydrophobicContact CD2-CG2 4.49Å; N270-V277 HydrophobicContact CB-CG2 4.48Å; G274-V277 PolarHBondContact O-N 3.41Å; G275-V277 VanDerWaalsContact C-N 3.33Å; V277-E279 PolarHBondContact O-N 3.42Å; V277-L282 HydrophobicContact CG1-CB 4.11Å; V277-L282 HydrophobicContact CG1-CD2 4.01Å; V277-E300 VanDerWaalsContact O-OE1 3.12Å
278	D	98.9	Very high	98.7	Very high	36 Å²	36	28.2 Å²	28.2	19%	0.193	14%	0.137	C	C	.	.			trans	-74.4	105.3	165.9	-175.8	-38.2	0	0	0	109	H252 I254 N255 K280 A281 L282 E300	H252-D278 HydrophobicContact CB-CB 4.31Å; H252-D278 IonicContact ND1-OD2 3.62Å; I254-D278 PolarHBondContact O-N 3.35Å; N255-D278 HydrophobicContact CB-CB 4.32Å; D278-K280 VanDerWaalsContact C-N 3.25Å; D278-K280 PolarHBondContact O-N 3.45Å; D278-K280 WeakPolarHBondContact OD1-CB 3.28Å; D278-K280 PolarHBondContact OD1-N 2.57Å; D278-A281 HydrophobicContact CB-CB 3.95Å; D278-A281 PolarHBondContact O-N 3.37Å; D278-A281 PolarHBondContact OD1-N 2.8Å; D278-L282 PolarHBondContact O-N 3.15Å; D278-E300 WeakPolarHBondContact CA-OE1 3.21Å
279	E	98.8	Very high	98.7	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.056	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-27.3	-175.1	-73.9	-173.5	-176	0	0	113	V277 A283 H299 E300 P310 L311	V277-E279 PolarHBondContact O-N 3.42Å; E279-A283 VanDerWaalsContact O-CB 3.27Å; E279-A283 WeakPolarHBondContact O-CB 3.14Å; E279-A283 PolarHBondContact O-N 2.62Å; E279-H299 VanDerWaalsContact OE1-CA 3.27Å; E279-H299 WeakPolarHBondContact OE1-CA 3.26Å; E279-H299 WeakPolarHBondContact OE1-CB 3.29Å; E279-H299 IonicContact OE1-CD2 2.78Å; E279-E300 HydrophobicContact CG-CB 4.39Å; E279-E300 HydrophobicContact CG-CG 4.07Å; E279-E300 PolarHBondContact N-OE1 3.5Å; E279-E300 PolarHBondContact OE1-N 2.8Å; E279-P310 HydrophobicContact CB-CB 4.06Å; E279-P310 HydrophobicContact CB-CG 4.09Å; E279-L311 HydrophobicContact CB-CD1 4.3Å; E279-L311 HydrophobicContact CB-CD2 4.49Å; E279-L311 HydrophobicContact CB-CG 4.14Å; E279-L311 HydrophobicContact CG-CD1 3.93Å; E279-L311 HydrophobicContact CG-CG 4.33Å
280	K	98.7	Very high	98.7	Very high	153 Å²	153	32.4 Å²	32.4	67%	0.665	16%	0.164	S	C	*	.	H	α-helix	trans	-70.2	-44.8	176.3	-65	172.5	-177.6	168.6	0	110.3	D278 L282 A283 Q284 P310	D278-K280 VanDerWaalsContact C-N 3.25Å; D278-K280 PolarHBondContact O-N 3.45Å; D278-K280 WeakPolarHBondContact OD1-CB 3.28Å; D278-K280 PolarHBondContact OD1-N 2.57Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-A283 PolarHBondContact O-N 2.75Å; K280-Q284 PolarHBondContact O-N 2.82Å; K280-Q284 VanDerWaalsContact O-N 3.12Å; K280-P310 HydrophobicContact CG-CB 3.8Å; K280-P310 HydrophobicContact CG-CG 3.85Å
281	A	98.8	Very high	98.7	Very high	10 Å²	10	32.4 Å²	32.4	8%	0.083	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-42.1	176.3	0	0	0	0	0	111.3	D256 I259 D278 Q284 A285	D256-A281 HydrophobicContact CB-CB 4.03Å; I259-A281 HydrophobicContact CD1-CB 3.85Å; D278-A281 HydrophobicContact CB-CB 3.95Å; D278-A281 PolarHBondContact O-N 3.37Å; D278-A281 PolarHBondContact OD1-N 2.8Å; A281-Q284 PolarHBondContact O-N 3.19Å; A281-A285 WeakPolarHBondContact O-CB 3.4Å; A281-A285 PolarHBondContact O-N 2.82Å
282	L	98.9	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-46.4	175.5	179.3	59.8	0	0	0	112.1	L268 V277 D278 K280 Q284 A285 L286 I291 A294 L296 L311	L268-L282 HydrophobicContact CD2-CD1 3.84Å; L268-L282 HydrophobicContact CD2-CD2 4.21Å; V277-L282 HydrophobicContact CG1-CB 4.11Å; V277-L282 HydrophobicContact CG1-CD2 4.01Å; D278-L282 PolarHBondContact O-N 3.15Å; K280-L282 VanDerWaalsContact C-N 3.34Å; L282-Q284 VanDerWaalsContact C-N 3.29Å; L282-Q284 PolarHBondContact O-N 3.31Å; L282-A285 PolarHBondContact O-N 2.92Å; L282-A285 VanDerWaalsContact O-N 3.14Å; L282-L286 HydrophobicContact CD1-CD1 4.18Å; L282-L286 HydrophobicContact CD1-CG 4.18Å; L282-L286 HydrophobicContact CG-CD1 4Å; L282-L286 HydrophobicContact CG-CG 4.46Å; L282-L286 WeakPolarHBondContact O-CG 3.31Å; L282-L286 PolarHBondContact O-N 3.18Å; L282-I291 HydrophobicContact CD1-CG2 4.39Å; L282-A294 HydrophobicContact CD1-CB 4.13Å; L282-A294 HydrophobicContact CD2-CB 4.11Å; L282-L296 HydrophobicContact CD2-CD1 3.9Å; L282-L296 HydrophobicContact CD2-CD2 4.2Å; L282-L311 HydrophobicContact CD2-CD2 4.33Å; L282-L311 HydrophobicContact CG-CD2 4.39Å
283	A	98.8	Very high	98.7	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-45.1	178.2	0	0	0	0	0	111.7	E279 K280 L286 K287 P310 L311 A314	E279-A283 VanDerWaalsContact O-CB 3.27Å; E279-A283 WeakPolarHBondContact O-CB 3.14Å; E279-A283 PolarHBondContact O-N 2.62Å; K280-A283 PolarHBondContact O-N 2.75Å; A283-L286 PolarHBondContact O-N 3.02Å; A283-K287 WeakPolarHBondContact O-CG 3.41Å; A283-K287 PolarHBondContact O-N 2.93Å; A283-K287 VanDerWaalsContact O-N 3.11Å; A283-P310 WeakPolarHBondContact CB-O 3.29Å; A283-L311 HydrophobicContact CB-CD2 4.05Å; A283-A314 HydrophobicContact CB-CB 4.41Å
284	Q	98.8	Very high	98.7	Very high	91 Å²	91	34.8 Å²	34.8	43%	0.425	17%	0.17	S	C	.	.	H	α-helix	trans	-64.9	-43	177.4	-171.9	61.4	21.3	0	0	111.5	K280 A281 L282 L286 K287 E288	K280-Q284 PolarHBondContact O-N 2.82Å; K280-Q284 VanDerWaalsContact O-N 3.12Å; A281-Q284 PolarHBondContact O-N 3.19Å; L282-Q284 VanDerWaalsContact C-N 3.29Å; L282-Q284 PolarHBondContact O-N 3.31Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 3.31Å; Q284-K287 PolarHBondContact O-N 3.19Å; Q284-E288 HydrophobicContact CG-CG 4.41Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.45Å; Q284-E288 PolarHBondContact NE2-OE1 3.09Å; Q284-E288 WeakPolarHBondContact O-CB 3.42Å; Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.41Å
285	A	98.8	Very high	98.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-33.3	179.8	0	0	0	0	0	113.7	I259 A281 L282 G289 R290 I291	I259-A285 HydrophobicContact CD1-CB 4.47Å; I259-A285 HydrophobicContact CG2-CB 3.6Å; A281-A285 WeakPolarHBondContact O-CB 3.4Å; A281-A285 PolarHBondContact O-N 2.82Å; L282-A285 PolarHBondContact O-N 2.92Å; L282-A285 VanDerWaalsContact O-N 3.14Å; A285-G289 PolarHBondContact O-N 3.47Å; A285-R290 HydrophobicContact CB-CB 4.36Å; A285-R290 PolarHBondContact O-N 2.78Å; A285-I291 HydrophobicContact CB-CB 4.35Å; A285-I291 HydrophobicContact CB-CG1 3.91Å; A285-I291 PolarHBondContact O-N 2.87Å; A285-I291 VanDerWaalsContact O-N 3.13Å
286	L	98.8	Very high	98.7	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-68.5	-45.1	172.5	-72.3	166.6	0	0	0	111.3	L282 A283 Q284 E288 G289 I291 A294 A314 P315 L317	L282-L286 HydrophobicContact CD1-CD1 4.18Å; L282-L286 HydrophobicContact CD1-CG 4.18Å; L282-L286 HydrophobicContact CG-CD1 4Å; L282-L286 HydrophobicContact CG-CG 4.46Å; L282-L286 WeakPolarHBondContact O-CG 3.31Å; L282-L286 PolarHBondContact O-N 3.18Å; A283-L286 PolarHBondContact O-N 3.02Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 3.31Å; L286-E288 VanDerWaalsContact C-N 3.31Å; L286-E288 PolarHBondContact O-N 2.82Å; L286-G289 PolarHBondContact O-N 2.95Å; L286-G289 VanDerWaalsContact O-N 3.13Å; L286-I291 HydrophobicContact CD2-CB 4.17Å; L286-I291 HydrophobicContact CD2-CG2 3.74Å; L286-I291 HydrophobicContact CG-CG2 4.48Å; L286-A294 HydrophobicContact CD1-CB 4.3Å; L286-A294 HydrophobicContact CD2-CB 4.26Å; L286-A314 HydrophobicContact CD1-CB 3.96Å; L286-P315 HydrophobicContact CB-CG 4.32Å; L286-L317 HydrophobicContact CD1-CD1 4.39Å
287	K	98.7	Very high	98.7	Very high	108 Å²	108	34 Å²	34	47%	0.47	16%	0.162	S	C	.	.	H	α-helix	trans	-62.1	-37.6	177	-72.2	172.6	-177.9	178.6	0	112.5	A283 Q284 G289 D313	A283-K287 WeakPolarHBondContact O-CG 3.41Å; A283-K287 PolarHBondContact O-N 2.93Å; A283-K287 VanDerWaalsContact O-N 3.11Å; Q284-K287 PolarHBondContact O-N 3.19Å; K287-G289 VanDerWaalsContact C-N 3.29Å; K287-D313 WeakPolarHBondContact CE-O 3.49Å
288	E	98.3	Very high	98.7	Very high	97 Å²	97	34 Å²	34	45%	0.453	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.4	177.6	-68.3	174.8	173.2	0	0	113.4	Q284 L286 R290	Q284-E288 HydrophobicContact CG-CG 4.41Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.45Å; Q284-E288 PolarHBondContact NE2-OE1 3.09Å; Q284-E288 WeakPolarHBondContact O-CB 3.42Å; Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.41Å; L286-E288 VanDerWaalsContact C-N 3.31Å; L286-E288 PolarHBondContact O-N 2.82Å; E288-R290 PolarHBondContact O-N 2.95Å; E288-R290 IonicContact OE2-CZ 3.95Å; E288-R290 IonicContact OE2-NH1 3.11Å; E288-R290 PolarHBondContact OE2-NH1 2.83Å; E288-R290 IonicContact OE2-NH2 3.3Å; E288-R290 PolarHBondContact OE2-NH2 3.41Å
289	G	97.8	Very high	98.7	Very high	35 Å²	35	32.6 Å²	32.6	36%	0.361	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	11.9	-176.8	0	0	0	0	0	114.6	Q264 A285 L286 K287 I291	Q264-G289 PolarHBondContact NE2-O 3.11Å; A285-G289 PolarHBondContact O-N 3.47Å; L286-G289 PolarHBondContact O-N 2.95Å; L286-G289 VanDerWaalsContact O-N 3.13Å; K287-G289 VanDerWaalsContact C-N 3.29Å; G289-I291 VanDerWaalsContact C-N 3.32Å
290	R	98.4	Very high	98.7	Very high	53 Å²	53	35.8 Å²	35.8	20%	0.2	17%	0.169	C	C	.	.	S	Bend	trans	-63.4	-42.3	171.7	-173.5	-173.6	-63.9	95.1	9.9	110.5	G265 A285 E288	G265-R290 WeakPolarHBondContact CA-O 3.48Å; G265-R290 PolarHBondContact N-O 3.41Å; A285-R290 HydrophobicContact CB-CB 4.36Å; A285-R290 PolarHBondContact O-N 2.78Å; E288-R290 PolarHBondContact O-N 2.95Å; E288-R290 IonicContact OE2-CZ 3.95Å; E288-R290 IonicContact OE2-NH1 3.11Å; E288-R290 PolarHBondContact OE2-NH1 2.83Å; E288-R290 IonicContact OE2-NH2 3.3Å; E288-R290 PolarHBondContact OE2-NH2 3.41Å
291	I	98.8	Very high	98.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125	166	-63.6	-62.4	0	0	0	107.3	I259 M262 A266 L282 A285 L286 G289 G293	I259-I291 HydrophobicContact CG2-CG1 4.43Å; M262-I291 HydrophobicContact CB-CD1 4.27Å; M262-I291 HydrophobicContact CE-CD1 3.48Å; M262-I291 VanDerWaalsContact CE-CD1 3.48Å; M262-I291 HydrophobicContact SD-CD1 3.68Å; A266-I291 HydrophobicContact CB-CD1 4.42Å; L282-I291 HydrophobicContact CD1-CG2 4.39Å; A285-I291 HydrophobicContact CB-CB 4.35Å; A285-I291 HydrophobicContact CB-CG1 3.91Å; A285-I291 PolarHBondContact O-N 2.87Å; A285-I291 VanDerWaalsContact O-N 3.13Å; L286-I291 HydrophobicContact CD2-CB 4.17Å; L286-I291 HydrophobicContact CD2-CG2 3.74Å; L286-I291 HydrophobicContact CG-CG2 4.48Å; G289-I291 VanDerWaalsContact C-N 3.32Å; I291-G293 VanDerWaalsContact C-N 3.32Å; I291-G293 VanDerWaalsContact CG2-O 3.3Å; I291-G293 WeakPolarHBondContact CG2-O 3.27Å
292	R	98.6	Very high	98.5	Very high	105 Å²	105	36.6 Å²	36.6	40%	0.396	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-33.1	-177.8	179.2	-170.7	-62.7	-111.2	2.1	111.6	G265 A266 F267 N316	G265-R292 WeakPolarHBondContact O-CB 3.39Å; G265-R292 PolarHBondContact O-NE 3.41Å; A266-R292 PolarHBondContact O-N 3.19Å; F267-R292 HydrophobicContact CD1-CB 4.2Å; F267-R292 HydrophobicContact CD1-CG 4.43Å; F267-R292 HydrophobicContact CE1-CB 3.97Å; F267-R292 VanDerWaalsContact CE1-CD 3.5Å; F267-R292 HydrophobicContact CE1-CG 3.7Å; F267-R292 HydrophobicContact CZ-CG 4.05Å; R292-N316 VanDerWaalsContact O-CB 3.23Å; R292-N316 WeakPolarHBondContact O-CB 3.17Å; R292-N316 PolarHBondContact O-ND2 2.73Å
293	G	98.8	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	159.6	175.7	0	0	0	0	0	111.6	F267 L268 I291 N316	F267-G293 WeakPolarHBondContact CA-O 3.44Å; L268-G293 PolarHBondContact N-O 3.44Å; I291-G293 VanDerWaalsContact C-N 3.32Å; I291-G293 VanDerWaalsContact CG2-O 3.3Å; I291-G293 WeakPolarHBondContact CG2-O 3.27Å; G293-N316 CarbonylContact C-O 3.54Å; G293-N316 WeakPolarHBondContact CA-O 3.34Å
294	A	98.9	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.2	177.7	0	0	0	0	0	111.3	L268 L282 L286 N316 L317 I318	L268-A294 HydrophobicContact CB-CB 4.32Å; L268-A294 CarbonylContact O-C 3.57Å; L268-A294 WeakPolarHBondContact O-CA 3.5Å; L282-A294 HydrophobicContact CD1-CB 4.13Å; L282-A294 HydrophobicContact CD2-CB 4.11Å; L286-A294 HydrophobicContact CD1-CB 4.3Å; L286-A294 HydrophobicContact CD2-CB 4.26Å; A294-N316 PolarHBondContact N-O 2.96Å; A294-L317 HydrophobicContact CB-CD1 3.97Å; A294-L317 CarbonylContact O-C 3.59Å; A294-L317 WeakPolarHBondContact O-CA 3.5Å; A294-I318 PolarHBondContact O-N 2.92Å
295	A	98.9	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.5	173.1	0	0	0	0	0	110.4	L142 L146 L268 V269 N270 I318	L142-A295 HydrophobicContact CB-CB 3.8Å; L142-A295 HydrophobicContact CD1-CB 4.27Å; L142-A295 HydrophobicContact CD2-CB 4.16Å; L142-A295 HydrophobicContact CG-CB 4.28Å; L146-A295 HydrophobicContact CD1-CB 3.93Å; L146-A295 HydrophobicContact CD2-CB 4.21Å; L146-A295 HydrophobicContact CG-CB 4.08Å; L268-A295 PolarHBondContact O-N 3.32Å; V269-A295 CarbonylContact C-O 3.55Å; V269-A295 VanDerWaalsContact CA-O 3.3Å; V269-A295 WeakPolarHBondContact CA-O 3.27Å; V269-A295 HydrophobicContact CG2-CB 4.31Å; N270-A295 PolarHBondContact N-O 2.94Å; A295-I318 CarbonylContact C-O 3.6Å; A295-I318 VanDerWaalsContact CA-O 3.28Å; A295-I318 WeakPolarHBondContact CA-O 3.46Å; A295-I318 HydrophobicContact CB-CB 4.08Å
296	L	98.9	Very high	98.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118	-172.6	-51.8	179.8	0	0	0	109.9	N270 L282 L311 L317 I318 C319 T320	N270-L296 HydrophobicContact CB-CD2 3.72Å; L282-L296 HydrophobicContact CD2-CD1 3.9Å; L282-L296 HydrophobicContact CD2-CD2 4.2Å; L296-L311 HydrophobicContact CD1-CD1 3.64Å; L296-L317 HydrophobicContact CD1-CD1 3.98Å; L296-L317 HydrophobicContact CG-CD1 4.09Å; L296-I318 PolarHBondContact N-O 3.31Å; L296-C319 CarbonylContact O-C 3.53Å; L296-C319 WeakPolarHBondContact O-CA 3.38Å; L296-T320 PolarHBondContact O-N 2.72Å
297	D	98.9	Very high	98	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-87	-16	166.7	-174.4	64.3	0	0	0	111.6	L142 N270 T271 T320 H322 T323 S324	L142-D297 HydrophobicContact CD1-CB 4.47Å; N270-D297 PolarHBondContact O-N 3.18Å; T271-D297 HydrophobicContact CG2-CB 3.95Å; D297-T320 CarbonylContact C-O 3.49Å; D297-T320 WeakPolarHBondContact CA-O 3.32Å; D297-T320 VanDerWaalsContact CA-OG1 3.3Å; D297-T320 WeakPolarHBondContact CA-OG1 3.33Å; D297-T320 WeakPolarHBondContact CB-OG1 3.34Å; D297-T320 VanDerWaalsContact OD1-CB 3.31Å; D297-T320 WeakPolarHBondContact OD1-CB 3.32Å; D297-T320 PolarHBondContact OD1-OG1 2.78Å; D297-H322 WeakPolarHBondContact O-CA 3.47Å; D297-H322 PolarHBondContact O-N 3.29Å; D297-H322 WeakPolarHBondContact OD2-CA 3.29Å; D297-T323 PolarHBondContact OD1-N 3.15Å; D297-T323 PolarHBondContact OD1-OG1 3.25Å; D297-T323 PolarHBondContact OD2-N 2.78Å; D297-S324 PolarHBondContact OD1-N 2.93Å; D297-S324 WeakPolarHBondContact OD2-CB 3.23Å; D297-S324 PolarHBondContact OD2-N 3.46Å; D297-S324 PolarHBondContact OD2-OG 3.21Å
298	V	98.9	Very high	97.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	27%	0.274	C	S	.	.			trans	-135.3	148.8	-174.1	-66.3	0	0	0	0	110.4	N270 R273 E302	N270-V298 HydrophobicContact CB-CG2 4.4Å; R273-V298 VanDerWaalsContact C-CG2 3.45Å; V298-E302 VanDerWaalsContact CA-OE1 3.23Å; V298-E302 WeakPolarHBondContact CA-OE1 3.5Å; V298-E302 WeakPolarHBondContact CB-OE1 3.44Å
299	H	98.8	Very high	97.7	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.032	28%	0.279	C	S	.	.			trans	-138.4	153.5	-168.5	-55.9	82.9	0	0	0	110.8	G274 E279 T301 E302 F304 C319	G274-H299 WeakPolarHBondContact CA-O 3.36Å; E279-H299 VanDerWaalsContact OE1-CA 3.27Å; E279-H299 WeakPolarHBondContact OE1-CA 3.26Å; E279-H299 WeakPolarHBondContact OE1-CB 3.29Å; E279-H299 IonicContact OE1-CD2 2.78Å; H299-T301 PolarHBondContact O-N 2.98Å; H299-E302 HydrophobicContact CB-CG 4.15Å; H299-E302 PolarHBondContact N-OE1 3.26Å; H299-F304 HydrophobicContact CB-CB 4.21Å; H299-F304 HydrophobicContact CB-CD2 4.07Å; H299-F304 HydrophobicContact CB-CG 4.49Å; H299-F304 AromaticContact CD2-CD2 3.13Å; H299-F304 WeakPolarHBondContact CD2-CD2 3.41Å; H299-F304 AromaticContact CD2-CE2 3.54Å; H299-F304 AromaticContact CD2-CG 3.54Å; H299-F304 AromaticContact CE1-CD1 4Å; H299-F304 AromaticContact CE1-CG 3.67Å; H299-F304 AromaticContact CG-CD2 3.49Å; H299-F304 VanDerWaalsContact CG-CD2 3.49Å; H299-F304 AromaticContact CG-CG 3.67Å; H299-F304 WeakPolarHBondContact ND1-CB 3.35Å; H299-F304 AromaticContact ND1-CG 3.75Å; H299-F304 AromaticContact NE2-CD1 3.81Å; H299-F304 AromaticContact NE2-CD2 3.56Å; H299-F304 AromaticContact NE2-CE2 3.86Å; H299-F304 AromaticContact NE2-CG 3.53Å; H299-C319 PolarHBondContact NE2-SG 3.23Å
300	E	97.6	Very high	97.7	Very high	78 Å²	78	49 Å²	49	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	-56.5	-37.3	178.7	-82.6	-172.9	-128.5	0	0	111.5	H252 V277 D278 E279	H252-E300 IonicContact CE1-OE1 3.5Å; H252-E300 IonicContact NE2-OE1 2.76Å; H252-E300 PolarHBondContact NE2-OE1 3.27Å; H252-E300 IonicContact NE2-OE2 3.36Å; V277-E300 VanDerWaalsContact O-OE1 3.12Å; D278-E300 WeakPolarHBondContact CA-OE1 3.21Å; E279-E300 HydrophobicContact CG-CB 4.39Å; E279-E300 HydrophobicContact CG-CG 4.07Å; E279-E300 PolarHBondContact N-OE1 3.5Å; E279-E300 PolarHBondContact OE1-N 2.8Å
301	T	96.7	Very high	97.7	Very high	112 Å²	112	46.5 Å²	46.5	69%	0.687	27%	0.268	S	S	*	.	S	Bend	trans	-122.4	120.1	174.5	-57.6	0	0	0	0	109.9	H299	H299-T301 PolarHBondContact O-N 2.98Å
302	E	96.6	Very high	97.6	Very high	69 Å²	69	51.7 Å²	51.7	32%	0.322	29%	0.29	S	S	.	.	S	Bend	trans	-116.4	141.1	176.5	-69.2	177	-169.4	0	0	110.2	H84 V298 H299 H322	H84-E302 IonicContact CD2-OE2 2.7Å; H84-E302 IonicContact NE2-OE2 3.26Å; V298-E302 VanDerWaalsContact CA-OE1 3.23Å; V298-E302 WeakPolarHBondContact CA-OE1 3.5Å; V298-E302 WeakPolarHBondContact CB-OE1 3.44Å; H299-E302 HydrophobicContact CB-CG 4.15Å; H299-E302 PolarHBondContact N-OE1 3.26Å; E302-H322 IonicContact OE1-ND1 2.78Å; E302-H322 IonicContact OE2-CE1 3.66Å; E302-H322 IonicContact OE2-CG 3.15Å; E302-H322 IonicContact OE2-ND1 3.38Å; E302-H322 PolarHBondContact OE2-ND1 2.89Å
303	P	96.6	Very high	97.5	Very high	129 Å²	129	52.2 Å²	52.2	84%	0.838	30%	0.301	S	S	*	.	S	Bend	cis	-73.8	139.9	5.6	30.5	-35.5	0	0	0	113.6
304	F	97.4	Very high	97.4	Very high	47 Å²	47	52.9 Å²	52.9	21%	0.206	31%	0.307	C	S	.	.			trans	-72.4	144.7	178.9	176.8	-101.8	0	0	0	112.2	H299 F306 L311 C319	H299-F304 HydrophobicContact CB-CB 4.21Å; H299-F304 HydrophobicContact CB-CD2 4.07Å; H299-F304 HydrophobicContact CB-CG 4.49Å; H299-F304 AromaticContact CD2-CD2 3.13Å; H299-F304 WeakPolarHBondContact CD2-CD2 3.41Å; H299-F304 AromaticContact CD2-CE2 3.54Å; H299-F304 AromaticContact CD2-CG 3.54Å; H299-F304 AromaticContact CE1-CD1 4Å; H299-F304 AromaticContact CE1-CG 3.67Å; H299-F304 AromaticContact CG-CD2 3.49Å; H299-F304 VanDerWaalsContact CG-CD2 3.49Å; H299-F304 AromaticContact CG-CG 3.67Å; H299-F304 WeakPolarHBondContact ND1-CB 3.35Å; H299-F304 AromaticContact ND1-CG 3.75Å; H299-F304 AromaticContact NE2-CD1 3.81Å; H299-F304 AromaticContact NE2-CD2 3.56Å; H299-F304 AromaticContact NE2-CE2 3.86Å; H299-F304 AromaticContact NE2-CG 3.53Å; F304-F306 AromaticContact CE1-CD1 3.83Å; F304-F306 HydrophobicContact CE1-CD1 3.83Å; F304-F306 AromaticContact CE1-CD2 3.84Å; F304-F306 HydrophobicContact CE1-CD2 3.84Å; F304-F306 AromaticContact CE1-CE1 3.84Å; F304-F306 HydrophobicContact CE1-CE1 3.84Å; F304-F306 AromaticContact CE1-CE2 3.85Å; F304-F306 HydrophobicContact CE1-CE2 3.85Å; F304-F306 AromaticContact CE1-CG 3.84Å; F304-F306 HydrophobicContact CE1-CG 3.84Å; F304-F306 AromaticContact CE1-CZ 3.86Å; F304-F306 HydrophobicContact CE1-CZ 3.86Å; F304-F306 AromaticContact CZ-CD1 3.92Å; F304-F306 HydrophobicContact CZ-CD1 3.92Å; F304-F306 HydrophobicContact CZ-CE1 4.04Å; F304-F306 HydrophobicContact CZ-CG 4.26Å; F304-F306 HydrophobicContact CZ-CZ 4.49Å; F304-L311 HydrophobicContact CE2-CB 4.34Å; F304-L311 HydrophobicContact CE2-CD1 4.21Å; F304-C319 HydrophobicContact CD1-CB 3.84Å; F304-C319 HydrophobicContact CE1-CB 3.54Å; F304-C319 WeakPolarHBondContact CE1-SG 3.35Å; F304-C319 HydrophobicContact CZ-CB 4.28Å; F304-C319 VanDerWaalsContact CZ-SG 3.58Å
305	S	97.3	Very high	97.4	Very high	45 Å²	45	55.4 Å²	55.4	32%	0.315	32%	0.323	S	S	.	.			trans	-141.1	131.4	172.1	176.5	0	0	0	0	110.8	S307 T308	S305-S307 PolarHBondContact O-N 2.76Å; S305-S307 VanDerWaalsContact O-N 3.15Å; S305-S307 PolarHBondContact OG-N 2.98Å; S305-S307 PolarHBondContact OG-OG 2.81Å; S305-T308 PolarHBondContact O-N 3.39Å
306	F	96.7	Very high	97.4	Very high	112 Å²	112	58.5 Å²	58.5	49%	0.491	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.5	173.1	-77.1	-73.1	0	0	0	113.8	F304 K312 L317 C319	F304-F306 AromaticContact CE1-CD1 3.83Å; F304-F306 HydrophobicContact CE1-CD1 3.83Å; F304-F306 AromaticContact CE1-CD2 3.84Å; F304-F306 HydrophobicContact CE1-CD2 3.84Å; F304-F306 AromaticContact CE1-CE1 3.84Å; F304-F306 HydrophobicContact CE1-CE1 3.84Å; F304-F306 AromaticContact CE1-CE2 3.85Å; F304-F306 HydrophobicContact CE1-CE2 3.85Å; F304-F306 AromaticContact CE1-CG 3.84Å; F304-F306 HydrophobicContact CE1-CG 3.84Å; F304-F306 AromaticContact CE1-CZ 3.86Å; F304-F306 HydrophobicContact CE1-CZ 3.86Å; F304-F306 AromaticContact CZ-CD1 3.92Å; F304-F306 HydrophobicContact CZ-CD1 3.92Å; F304-F306 HydrophobicContact CZ-CE1 4.04Å; F304-F306 HydrophobicContact CZ-CG 4.26Å; F304-F306 HydrophobicContact CZ-CZ 4.49Å; F306-K312 WeakPolarHBondContact O-CG 3.48Å; F306-L317 HydrophobicContact CE1-CD2 4.23Å; F306-C319 HydrophobicContact CE1-CB 4.28Å; F306-C319 HydrophobicContact CE2-CB 4.07Å; F306-C319 HydrophobicContact CZ-CB 3.56Å
307	S	96.8	Very high	97.4	Very high	76 Å²	76	59.2 Å²	59.2	53%	0.531	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.3	-179.2	63.9	0	0	0	0	114	S305 K312	S305-S307 PolarHBondContact O-N 2.76Å; S305-S307 VanDerWaalsContact O-N 3.15Å; S305-S307 PolarHBondContact OG-N 2.98Å; S305-S307 PolarHBondContact OG-OG 2.81Å; S307-K312 WeakPolarHBondContact O-CD 3.45Å; S307-K312 WeakPolarHBondContact O-CE 3.34Å
308	T	94.9	Very high	97.4	Very high	87 Å²	87	59.8 Å²	59.8	53%	0.534	35%	0.346	S	S	.	.	S	Bend	trans	-137.2	163.8	-173.4	54.7	0	0	0	0	111.8	S305	S305-T308 PolarHBondContact O-N 3.39Å
309	G	96	Very high	97.4	Very high	53 Å²	53	60.8 Å²	60.8	55%	0.546	35%	0.353	S	S	.	.	S	Bend	trans	83.9	-179.8	175.2	0	0	0	0	0	115.1	L311 K312	G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.48Å; G309-K312 PolarHBondContact O-N 3.22Å
310	P	97.3	Very high	97.4	Very high	50 Å²	50	62.1 Å²	62.1	33%	0.325	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.8	-172.7	-23.6	35.3	0	0	0	114.4	E279 K280 A283	E279-P310 HydrophobicContact CB-CB 4.06Å; E279-P310 HydrophobicContact CB-CG 4.09Å; K280-P310 HydrophobicContact CG-CB 3.8Å; K280-P310 HydrophobicContact CG-CG 3.85Å; A283-P310 WeakPolarHBondContact CB-O 3.29Å
311	L	98.2	Very high	97.4	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.1	-173.6	-64.6	172.2	0	0	0	114.2	E279 L282 A283 L296 F304 G309 D313 A314 L317	E279-L311 HydrophobicContact CB-CD1 4.3Å; E279-L311 HydrophobicContact CB-CD2 4.49Å; E279-L311 HydrophobicContact CB-CG 4.14Å; E279-L311 HydrophobicContact CG-CD1 3.93Å; E279-L311 HydrophobicContact CG-CG 4.33Å; L282-L311 HydrophobicContact CD2-CD2 4.33Å; L282-L311 HydrophobicContact CG-CD2 4.39Å; A283-L311 HydrophobicContact CB-CD2 4.05Å; L296-L311 HydrophobicContact CD1-CD1 3.64Å; F304-L311 HydrophobicContact CE2-CB 4.34Å; F304-L311 HydrophobicContact CE2-CD1 4.21Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.48Å; L311-D313 VanDerWaalsContact C-N 3.3Å; L311-D313 PolarHBondContact O-N 3.07Å; L311-D313 VanDerWaalsContact O-N 3.14Å; L311-A314 HydrophobicContact CB-CB 4.48Å; L311-A314 HydrophobicContact CD2-CB 4.22Å; L311-A314 VanDerWaalsContact O-CB 3.3Å; L311-A314 WeakPolarHBondContact O-CB 3.38Å; L311-A314 PolarHBondContact O-N 3.21Å; L311-L317 HydrophobicContact CB-CD2 3.79Å; L311-L317 HydrophobicContact CD1-CD2 4.12Å; L311-L317 HydrophobicContact CD2-CD2 4.26Å; L311-L317 HydrophobicContact CG-CD2 4.28Å
312	K	96.5	Very high	97.5	Very high	111 Å²	111	59 Å²	59	48%	0.483	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-48.8	-175	179.4	-173.1	177.8	177.4	0	114.3	F306 S307 G309	F306-K312 WeakPolarHBondContact O-CG 3.48Å; S307-K312 WeakPolarHBondContact O-CD 3.45Å; S307-K312 WeakPolarHBondContact O-CE 3.34Å; G309-K312 PolarHBondContact O-N 3.22Å
313	D	96	Very high	97.6	Very high	115 Å²	115	58.6 Å²	58.6	62%	0.615	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	20.8	-176.9	-52.2	-51.5	0	0	0	111.9	K287 L311	K287-D313 WeakPolarHBondContact CE-O 3.49Å; L311-D313 VanDerWaalsContact C-N 3.3Å; L311-D313 PolarHBondContact O-N 3.07Å; L311-D313 VanDerWaalsContact O-N 3.14Å
314	A	98.4	Very high	97.7	Very high	15 Å²	15	52.7 Å²	52.7	12%	0.124	31%	0.312	C	S	.	.			trans	-77.8	125.8	179.3	0	0	0	0	0	110.3	A283 L286 L311 L317	A283-A314 HydrophobicContact CB-CB 4.41Å; L286-A314 HydrophobicContact CD1-CB 3.96Å; L311-A314 HydrophobicContact CB-CB 4.48Å; L311-A314 HydrophobicContact CD2-CB 4.22Å; L311-A314 VanDerWaalsContact O-CB 3.3Å; L311-A314 WeakPolarHBondContact O-CB 3.38Å; L311-A314 PolarHBondContact O-N 3.21Å; A314-L317 HydrophobicContact CB-CD2 4.41Å
315	P	98.4	Very high	97.7	Very high	52 Å²	52	53.4 Å²	53.4	34%	0.338	31%	0.314	S	S	.	.	S	Bend	trans	-75.3	165.7	176.2	33.4	-36.1	0	0	0	111	L286 L317	L286-P315 HydrophobicContact CB-CG 4.32Å; P315-L317 PolarHBondContact O-N 2.99Å
316	N	98.3	Very high	97.8	Very high	66 Å²	66	57.6 Å²	57.6	35%	0.353	32%	0.324	S	S	.	.	S	Bend	trans	53.1	39.2	170.5	-54.7	-17.3	0	0	0	114	W152 R292 G293 A294	W152-N316 HydrophobicContact CH2-CB 4.28Å; W152-N316 VanDerWaalsContact CZ2-C 3.42Å; W152-N316 HydrophobicContact CZ2-CB 4.21Å; W152-N316 WeakPolarHBondContact CZ2-O 3.09Å; R292-N316 VanDerWaalsContact O-CB 3.23Å; R292-N316 WeakPolarHBondContact O-CB 3.17Å; R292-N316 PolarHBondContact O-ND2 2.73Å; G293-N316 CarbonylContact C-O 3.54Å; G293-N316 WeakPolarHBondContact CA-O 3.34Å; A294-N316 PolarHBondContact N-O 2.96Å
317	L	98.8	Very high	97.9	Very high	16 Å²	16	53.3 Å²	53.3	8%	0.084	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.5	179.7	-174.6	64	0	0	0	110.4	L286 A294 L296 F306 L311 A314 P315	L286-L317 HydrophobicContact CD1-CD1 4.39Å; A294-L317 HydrophobicContact CB-CD1 3.97Å; A294-L317 CarbonylContact O-C 3.59Å; A294-L317 WeakPolarHBondContact O-CA 3.5Å; L296-L317 HydrophobicContact CD1-CD1 3.98Å; L296-L317 HydrophobicContact CG-CD1 4.09Å; F306-L317 HydrophobicContact CE1-CD2 4.23Å; L311-L317 HydrophobicContact CB-CD2 3.79Å; L311-L317 HydrophobicContact CD1-CD2 4.12Å; L311-L317 HydrophobicContact CD2-CD2 4.26Å; L311-L317 HydrophobicContact CG-CD2 4.28Å; A314-L317 HydrophobicContact CB-CD2 4.41Å; P315-L317 PolarHBondContact O-N 2.99Å
318	I	98.8	Very high	97.9	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.062	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.3	167.4	-62.8	175.2	0	0	0	106.6	L142 N145 L146 W152 A294 A295 L296	L142-I318 HydrophobicContact CD2-CG2 3.99Å; N145-I318 HydrophobicContact CB-CD1 3.83Å; L146-I318 HydrophobicContact CD2-CD1 4.15Å; W152-I318 HydrophobicContact CH2-CD1 4.46Å; W152-I318 HydrophobicContact CZ2-CD1 4.05Å; W152-I318 HydrophobicContact CZ2-CG1 3.79Å; A294-I318 PolarHBondContact O-N 2.92Å; A295-I318 CarbonylContact C-O 3.6Å; A295-I318 VanDerWaalsContact CA-O 3.28Å; A295-I318 WeakPolarHBondContact CA-O 3.46Å; A295-I318 HydrophobicContact CB-CB 4.08Å; L296-I318 PolarHBondContact N-O 3.31Å
319	C	98.8	Very high	98.1	Very high	24 Å²	24	58.6 Å²	58.6	16%	0.162	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.1	175.1	-62.1	0	0	0	0	110.7	L296 H299 F304 F306	L296-C319 CarbonylContact O-C 3.53Å; L296-C319 WeakPolarHBondContact O-CA 3.38Å; H299-C319 PolarHBondContact NE2-SG 3.23Å; F304-C319 HydrophobicContact CD1-CB 3.84Å; F304-C319 HydrophobicContact CE1-CB 3.54Å; F304-C319 WeakPolarHBondContact CE1-SG 3.35Å; F304-C319 HydrophobicContact CZ-CB 4.28Å; F304-C319 VanDerWaalsContact CZ-SG 3.58Å; F306-C319 HydrophobicContact CE1-CB 4.28Å; F306-C319 HydrophobicContact CE2-CB 4.07Å; F306-C319 HydrophobicContact CZ-CB 3.56Å
320	T	98.8	Very high	98.2	Very high	35 Å²	35	56.1 Å²	56.1	22%	0.215	29%	0.292	C	S	.	.			trans	-123.6	150.8	166.6	48.2	0	0	0	0	109.5	L296 D297 H322	L296-T320 PolarHBondContact O-N 2.72Å; D297-T320 CarbonylContact C-O 3.49Å; D297-T320 WeakPolarHBondContact CA-O 3.32Å; D297-T320 VanDerWaalsContact CA-OG1 3.3Å; D297-T320 WeakPolarHBondContact CA-OG1 3.33Å; D297-T320 WeakPolarHBondContact CB-OG1 3.34Å; D297-T320 VanDerWaalsContact OD1-CB 3.31Å; D297-T320 WeakPolarHBondContact OD1-CB 3.32Å; D297-T320 PolarHBondContact OD1-OG1 2.78Å; T320-H322 VanDerWaalsContact C-N 3.33Å; T320-H322 PolarHBondContact O-N 3.37Å; T320-H322 VanDerWaalsContact O-N 3.08Å
321	P	98.3	Very high	98.3	Very high	102 Å²	102	54.8 Å²	54.8	66%	0.662	28%	0.284	S	S	*	.			trans	-89.9	61.9	-168.3	35.2	-34.3	0	0	0	112.3	T323	P321-T323 HydrophobicContact CG-CG2 3.83Å; P321-T323 PolarHBondContact O-N 2.97Å
322	H	98.6	Very high	98.3	Very high	21 Å²	21	57.6 Å²	57.6	10%	0.097	30%	0.301	C	S	.	.	S	Bend	trans	55.6	51.6	179.5	-159.6	158.6	0	0	0	112.8	H84 D297 E302 T320 W325	H84-H322 AromaticContact CD2-CE1 3.44Å; H84-H322 PolarHBondContact CD2-CE1 3.37Å; H84-H322 VanDerWaalsContact CD2-CE1 3.44Å; H84-H322 AromaticContact CD2-ND1 3.33Å; H84-H322 PolarHBondContact CD2-ND1 2.89Å; H84-H322 VanDerWaalsContact CD2-ND1 3.33Å; H84-H322 AromaticContact CE1-CE1 3.87Å; H84-H322 AromaticContact CE1-CG 3.93Å; H84-H322 AromaticContact CE1-ND1 3.71Å; H84-H322 AromaticContact CG-CE1 3.5Å; H84-H322 AromaticContact CG-ND1 3.86Å; H84-H322 AromaticContact ND1-CE1 3.78Å; H84-H322 AromaticContact NE2-CE1 3.7Å; H84-H322 AromaticContact NE2-CG 3.77Å; H84-H322 AromaticContact NE2-ND1 3.26Å; H84-H322 PolarHBondContact NE2-ND1 2.8Å; D297-H322 WeakPolarHBondContact O-CA 3.47Å; D297-H322 PolarHBondContact O-N 3.29Å; D297-H322 WeakPolarHBondContact OD2-CA 3.29Å; E302-H322 IonicContact OE1-ND1 2.78Å; E302-H322 IonicContact OE2-CE1 3.66Å; E302-H322 IonicContact OE2-CG 3.15Å; E302-H322 IonicContact OE2-ND1 3.38Å; E302-H322 PolarHBondContact OE2-ND1 2.89Å; T320-H322 VanDerWaalsContact C-N 3.33Å; T320-H322 PolarHBondContact O-N 3.37Å; T320-H322 VanDerWaalsContact O-N 3.08Å; H322-W325 AromaticContact CD2-CD1 3.91Å; H322-W325 VanDerWaalsContact O-CD1 3.26Å; H322-W325 PolarHBondContact O-NE1 3.29Å
323	T	98.3	Very high	98.4	Very high	61 Å²	61	57 Å²	57	37%	0.374	30%	0.3	S	S	.	.			trans	-114.2	-3.2	-171.7	48.9	0	0	0	0	113.9	D297 P321 W325 Y326	D297-T323 PolarHBondContact OD1-N 3.15Å; D297-T323 PolarHBondContact OD1-OG1 3.25Å; D297-T323 PolarHBondContact OD2-N 2.78Å; P321-T323 HydrophobicContact CG-CG2 3.83Å; P321-T323 PolarHBondContact O-N 2.97Å; T323-W325 PolarHBondContact O-N 2.89Å; T323-Y326 PolarHBondContact O-N 3.29Å
324	S	98.4	Very high	98.5	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.035	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.7	-177.7	59.4	0	0	0	0	114.4	E134 T135 D297	E134-S324 CarbonylContact C-O 3.48Å; T135-S324 WeakPolarHBondContact CA-O 3.42Å; T135-S324 PolarHBondContact N-O 3.42Å; T135-S324 PolarHBondContact OG1-O 3.43Å; D297-S324 PolarHBondContact OD1-N 2.93Å; D297-S324 WeakPolarHBondContact OD2-CB 3.23Å; D297-S324 PolarHBondContact OD2-N 3.46Å; D297-S324 PolarHBondContact OD2-OG 3.21Å
325	W	98.4	Very high	98.5	Very high	63 Å²	63	51.9 Å²	51.9	24%	0.239	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-15.5	177.2	67.6	-87.4	0	0	0	113.7	S131 H322 T323 S327	S131-W325 VanDerWaalsContact CB-O 3.29Å; S131-W325 WeakPolarHBondContact CB-O 3.45Å; H322-W325 AromaticContact CD2-CD1 3.91Å; H322-W325 VanDerWaalsContact O-CD1 3.26Å; H322-W325 PolarHBondContact O-NE1 3.29Å; T323-W325 PolarHBondContact O-N 2.89Å; W325-S327 PolarHBondContact O-N 2.89Å
326	Y	98.6	Very high	98.5	Very high	133 Å²	133	52.9 Å²	52.9	52%	0.522	27%	0.27	S	S	.	.			trans	-87.4	117.5	-164.4	-177.8	-96.1	0	0	0	112.6	T323	T323-Y326 PolarHBondContact O-N 3.29Å
327	S	98.7	Very high	98.6	Very high	21 Å²	21	50.5 Å²	50.5	15%	0.147	26%	0.257	C	S	.	.			trans	-130.9	160.7	150.1	70.1	0	0	0	0	107.6	E134 W325 Q329 A330 S331	E134-S327 PolarHBondContact OE1-OG 3.37Å; W325-S327 PolarHBondContact O-N 2.89Å; S327-Q329 PolarHBondContact O-N 3.47Å; S327-A330 PolarHBondContact O-N 3.21Å; S327-A330 WeakPolarHBondContact OG-CB 3.36Å; S327-A330 PolarHBondContact OG-N 2.96Å; S327-S331 WeakPolarHBondContact O-CB 3.35Å; S327-S331 PolarHBondContact O-N 3.34Å
328	E	98	Very high	98.6	Very high	143 Å²	143	49.7 Å²	49.7	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-56.1	-40.2	175.7	-67	-176	170.9	0	0	110.5	V332	E328-V332 WeakPolarHBondContact O-CG2 3.47Å; E328-V332 PolarHBondContact O-N 2.88Å
329	Q	98.6	Very high	98.6	Very high	132 Å²	132	49.1 Å²	49.1	62%	0.617	25%	0.25	S	C	*	.	H	α-helix	trans	-69.9	-50.1	179.9	-61	85.3	-16.2	0	0	112	S327 S331 V332 E333	S327-Q329 PolarHBondContact O-N 3.47Å; Q329-S331 VanDerWaalsContact C-N 3.29Å; Q329-S331 PolarHBondContact O-N 3.48Å; Q329-V332 PolarHBondContact O-N 2.86Å; Q329-E333 WeakPolarHBondContact O-CB 3.17Å; Q329-E333 PolarHBondContact O-N 3.39Å
330	A	98.4	Very high	98.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-38.1	-179.7	0	0	0	0	0	111.9	A130 E134 S327 E333 A334	A130-A330 WeakPolarHBondContact O-CB 3.34Å; E134-A330 HydrophobicContact CG-CB 4.19Å; S327-A330 PolarHBondContact O-N 3.21Å; S327-A330 WeakPolarHBondContact OG-CB 3.36Å; S327-A330 PolarHBondContact OG-N 2.96Å; A330-E333 PolarHBondContact O-N 3.27Å; A330-A334 VanDerWaalsContact O-CB 3.26Å; A330-A334 WeakPolarHBondContact O-CB 3.29Å; A330-A334 PolarHBondContact O-N 2.91Å
331	S	98.5	Very high	98.6	Very high	21 Å²	21	51.4 Å²	51.4	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-48.4	175.7	-178.3	0	0	0	0	111.6	S327 Q329 R335	S327-S331 WeakPolarHBondContact O-CB 3.35Å; S327-S331 PolarHBondContact O-N 3.34Å; Q329-S331 VanDerWaalsContact C-N 3.29Å; Q329-S331 PolarHBondContact O-N 3.48Å; S331-R335 WeakPolarHBondContact O-CB 3.43Å; S331-R335 VanDerWaalsContact O-CG 3.23Å; S331-R335 WeakPolarHBondContact O-CG 3.31Å; S331-R335 PolarHBondContact O-N 3.36Å; S331-R335 VanDerWaalsContact O-N 3.15Å
332	V	98.4	Very high	98.6	Very high	61 Å²	61	46.6 Å²	46.6	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-48.7	176.9	173.8	0	0	0	0	110.7	E328 Q329 A334 R335 E336	E328-V332 WeakPolarHBondContact O-CG2 3.47Å; E328-V332 PolarHBondContact O-N 2.88Å; Q329-V332 PolarHBondContact O-N 2.86Å; V332-A334 VanDerWaalsContact C-N 3.32Å; V332-A334 PolarHBondContact O-N 3.48Å; V332-R335 PolarHBondContact O-N 3.22Å; V332-E336 HydrophobicContact CG1-CG 4.09Å; V332-E336 WeakPolarHBondContact O-CB 3.4Å; V332-E336 WeakPolarHBondContact O-CG 3.37Å; V332-E336 PolarHBondContact O-N 3.36Å
333	E	98.6	Very high	98.6	Very high	99 Å²	99	49.5 Å²	49.5	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-58.2	-43.7	-179.7	-175.1	179.6	157.7	0	0	112	A130 Q329 A330 E336 E337	A130-E333 HydrophobicContact CB-CB 4.46Å; A130-E333 HydrophobicContact CB-CG 4.32Å; Q329-E333 WeakPolarHBondContact O-CB 3.17Å; Q329-E333 PolarHBondContact O-N 3.39Å; A330-E333 PolarHBondContact O-N 3.27Å; E333-E336 PolarHBondContact O-N 2.97Å; E333-E337 WeakPolarHBondContact O-CB 3.49Å; E333-E337 PolarHBondContact O-N 2.79Å
334	A	98.6	Very high	98.6	Very high	6 Å²	6	50.7 Å²	50.7	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-46	178.5	0	0	0	0	0	112	I105 A130 A330 V332 E337 A338	I105-A334 HydrophobicContact CG2-CB 3.98Å; A130-A334 HydrophobicContact CB-CB 3.66Å; A330-A334 VanDerWaalsContact O-CB 3.26Å; A330-A334 WeakPolarHBondContact O-CB 3.29Å; A330-A334 PolarHBondContact O-N 2.91Å; V332-A334 VanDerWaalsContact C-N 3.32Å; V332-A334 PolarHBondContact O-N 3.48Å; A334-E337 PolarHBondContact O-N 3.41Å; A334-A338 WeakPolarHBondContact O-CB 3.32Å; A334-A338 PolarHBondContact O-N 3.39Å
335	R	98.8	Very high	98.6	Very high	16 Å²	16	50.6 Å²	50.6	6%	0.06	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-42.6	179.5	-71.2	174.1	67.4	-175.4	-0.1	111.9	D44 V47 E48 Y83 I105 S331 V332 A338 A339	D44-R335 PolarHBondContact O-NH2 2.96Å; D44-R335 IonicContact OD1-NH2 3.02Å; D44-R335 PolarHBondContact OD1-NH2 3.15Å; D44-R335 IonicContact OD2-CZ 2.8Å; D44-R335 IonicContact OD2-NH1 2.89Å; D44-R335 PolarHBondContact OD2-NH1 3.41Å; D44-R335 IonicContact OD2-NH2 3.96Å; D44-R335 PolarHBondContact OD2-NH2 2.91Å; V47-R335 HydrophobicContact CB-CB 4.07Å; V47-R335 HydrophobicContact CG1-CB 3.73Å; V47-R335 VanDerWaalsContact CG2-CZ 3.45Å; E48-R335 WeakPolarHBondContact OE1-CB 3.42Å; E48-R335 WeakPolarHBondContact OE1-CG 3.34Å; E48-R335 IonicContact OE1-CZ 3.87Å; E48-R335 IonicContact OE1-NE 3.26Å; E48-R335 PolarHBondContact OE1-NE 2.98Å; E48-R335 IonicContact OE1-NH2 2.75Å; E48-R335 IonicContact OE2-CZ 3.63Å; E48-R335 IonicContact OE2-NE 3.37Å; E48-R335 PolarHBondContact OE2-NE 2.95Å; E48-R335 IonicContact OE2-NH2 4Å; E48-R335 PolarHBondContact OE2-NH2 3.3Å; Y83-R335 WeakPolarHBondContact OH-CD 3.5Å; Y83-R335 WeakPolarHBondContact OH-CG 3.34Å; I105-R335 HydrophobicContact CG2-CG 4.09Å; S331-R335 WeakPolarHBondContact O-CB 3.43Å; S331-R335 VanDerWaalsContact O-CG 3.23Å; S331-R335 WeakPolarHBondContact O-CG 3.31Å; S331-R335 PolarHBondContact O-N 3.36Å; S331-R335 VanDerWaalsContact O-N 3.15Å; V332-R335 PolarHBondContact O-N 3.22Å; R335-A338 PolarHBondContact O-N 2.81Å; R335-A339 WeakPolarHBondContact O-CB 3.42Å; R335-A339 PolarHBondContact O-N 3Å
336	E	98.8	Very high	98.5	Very high	73 Å²	73	49.8 Å²	49.8	34%	0.341	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-46.5	174.9	-72.8	-169.3	164.1	0	0	111.7	V47 I51 V332 E333 A339 R340	V47-E336 HydrophobicContact CG1-CG 3.68Å; I51-E336 HydrophobicContact CD1-CB 4.09Å; I51-E336 HydrophobicContact CD1-CG 3.99Å; V332-E336 HydrophobicContact CG1-CG 4.09Å; V332-E336 WeakPolarHBondContact O-CB 3.4Å; V332-E336 WeakPolarHBondContact O-CG 3.37Å; V332-E336 PolarHBondContact O-N 3.36Å; E333-E336 PolarHBondContact O-N 2.97Å; E336-A339 PolarHBondContact O-N 3.01Å; E336-R340 WeakPolarHBondContact O-CG 3.23Å; E336-R340 PolarHBondContact O-N 3.02Å; E336-R340 IonicContact OE2-NH1 3.62Å
337	E	98.8	Very high	98.4	Very high	15 Å²	15	48 Å²	48	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-39	179.7	-173.2	61.8	-174.2	0	0	112	V127 E333 A334 R340 E341 R344 K355	V127-E337 HydrophobicContact CG1-CB 3.85Å; V127-E337 HydrophobicContact CG1-CG 3.94Å; V127-E337 HydrophobicContact CG2-CB 4.23Å; V127-E337 HydrophobicContact CG2-CG 4.25Å; E333-E337 WeakPolarHBondContact O-CB 3.49Å; E333-E337 PolarHBondContact O-N 2.79Å; A334-E337 PolarHBondContact O-N 3.41Å; E337-R340 PolarHBondContact O-N 2.79Å; E337-R340 IonicContact OE2-CZ 3.69Å; E337-R340 VanDerWaalsContact OE2-CZ 3.26Å; E337-R340 IonicContact OE2-NE 3.78Å; E337-R340 PolarHBondContact OE2-NE 3.43Å; E337-R340 IonicContact OE2-NH2 2.76Å; E337-R340 PolarHBondContact OE2-NH2 2.87Å; E337-E341 WeakPolarHBondContact O-CB 3.38Å; E337-E341 PolarHBondContact O-N 3.17Å; E337-R344 IonicContact OE1-NH2 3.73Å; E337-R344 PolarHBondContact OE1-NH2 3.43Å; E337-K355 VanDerWaalsContact OE1-CD 3.27Å; E337-K355 WeakPolarHBondContact OE1-CD 3.33Å; E337-K355 WeakPolarHBondContact OE1-CE 3.5Å; E337-K355 IonicContact OE1-NZ 2.84Å; E337-K355 PolarHBondContact OE1-NZ 2.87Å; E337-K355 IonicContact OE2-NZ 2.74Å
338	A	98.8	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-43.6	175.4	0	0	0	0	0	111.8	L81 V103 I105 V127 A334 R335 E341 V342	L81-A338 HydrophobicContact CD2-CB 3.63Å; V103-A338 HydrophobicContact CG1-CB 3.77Å; I105-A338 HydrophobicContact CG1-CB 3.75Å; V127-A338 HydrophobicContact CG2-CB 3.99Å; A334-A338 WeakPolarHBondContact O-CB 3.32Å; A334-A338 PolarHBondContact O-N 3.39Å; R335-A338 PolarHBondContact O-N 2.81Å; A338-E341 PolarHBondContact O-N 3.3Å; A338-V342 PolarHBondContact O-N 3.43Å
339	A	98.8	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-40.8	174.4	0	0	0	0	0	112.2	E48 I51 L52 R335 E336 E341 V342 R343	E48-A339 HydrophobicContact CB-CB 4.09Å; E48-A339 HydrophobicContact CG-CB 4.09Å; I51-A339 HydrophobicContact CB-CB 3.99Å; I51-A339 HydrophobicContact CD1-CB 3.89Å; I51-A339 HydrophobicContact CG2-CB 3.81Å; L52-A339 HydrophobicContact CD1-CB 4.32Å; L52-A339 WeakPolarHBondContact CD2-O 3.44Å; L52-A339 HydrophobicContact CG-CB 4.32Å; R335-A339 WeakPolarHBondContact O-CB 3.42Å; R335-A339 PolarHBondContact O-N 3Å; E336-A339 PolarHBondContact O-N 3.01Å; A339-E341 VanDerWaalsContact C-N 3.29Å; A339-E341 PolarHBondContact O-N 2.87Å; A339-V342 PolarHBondContact O-N 3.18Å; A339-R343 WeakPolarHBondContact O-CB 3.4Å; A339-R343 PolarHBondContact O-N 3.13Å
340	R	98.8	Very high	97.8	Very high	103 Å²	103	45.6 Å²	45.6	39%	0.389	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-37.9	173.5	-75	-169.6	-67.9	-122.2	-1	111.7	I51 E336 E337 R343 R344	I51-R340 HydrophobicContact CG2-CG 4.36Å; E336-R340 WeakPolarHBondContact O-CG 3.23Å; E336-R340 PolarHBondContact O-N 3.02Å; E336-R340 IonicContact OE2-NH1 3.62Å; E337-R340 PolarHBondContact O-N 2.79Å; E337-R340 IonicContact OE2-CZ 3.69Å; E337-R340 VanDerWaalsContact OE2-CZ 3.26Å; E337-R340 IonicContact OE2-NE 3.78Å; E337-R340 PolarHBondContact OE2-NE 3.43Å; E337-R340 IonicContact OE2-NH2 2.76Å; E337-R340 PolarHBondContact OE2-NH2 2.87Å; R340-R343 WeakPolarHBondContact O-CB 3.43Å; R340-R343 PolarHBondContact O-N 2.87Å; R340-R344 WeakPolarHBondContact O-CG 3.29Å; R340-R344 PolarHBondContact O-N 3.44Å
341	E	98.8	Very high	97.6	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-42.1	177.6	-166.5	73	156.4	0	0	112.1	V103 C125 E337 A338 A339 R343 R344 A345 K355 N356	V103-E341 HydrophobicContact CG1-CB 4.16Å; V103-E341 HydrophobicContact CG1-CG 4.38Å; V103-E341 HydrophobicContact CG2-CB 4.29Å; V103-E341 HydrophobicContact CG2-CG 4.15Å; C125-E341 HydrophobicContact CB-CG 3.79Å; C125-E341 PolarHBondContact SG-OE1 3.16Å; E337-E341 WeakPolarHBondContact O-CB 3.38Å; E337-E341 PolarHBondContact O-N 3.17Å; A338-E341 PolarHBondContact O-N 3.3Å; A339-E341 VanDerWaalsContact C-N 3.29Å; A339-E341 PolarHBondContact O-N 2.87Å; E341-R343 VanDerWaalsContact C-N 3.3Å; E341-R343 PolarHBondContact O-N 3.35Å; E341-R344 WeakPolarHBondContact O-CB 3.41Å; E341-R344 PolarHBondContact O-N 3.32Å; E341-R344 WeakPolarHBondContact OE2-CD 3.28Å; E341-R344 IonicContact OE2-NE 2.74Å; E341-R344 PolarHBondContact OE2-NE 3.33Å; E341-A345 PolarHBondContact O-N 2.84Å; E341-K355 PolarHBondContact OE1-N 2.82Å; E341-K355 WeakPolarHBondContact OE2-CB 3.39Å; E341-K355 PolarHBondContact OE2-N 3.24Å; E341-N356 PolarHBondContact OE1-N 3.34Å
342	V	98.7	Very high	97.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-43.8	170	171.7	0	0	0	0	110.8	V37 L52 A79 L81 V103 A338 A339 R344 A345 I346	V37-V342 HydrophobicContact CG1-CG1 3.98Å; V37-V342 HydrophobicContact CG2-CG1 3.73Å; L52-V342 HydrophobicContact CD1-CB 4.42Å; L52-V342 HydrophobicContact CD1-CG1 4.11Å; L52-V342 HydrophobicContact CD2-CB 4.23Å; L52-V342 HydrophobicContact CD2-CG1 3.96Å; A79-V342 HydrophobicContact CB-CG1 3.84Å; A79-V342 HydrophobicContact CB-CG2 4.37Å; L81-V342 HydrophobicContact CD1-CG2 4.48Å; L81-V342 HydrophobicContact CD2-CG2 3.87Å; L81-V342 HydrophobicContact CG-CG2 4.03Å; V103-V342 HydrophobicContact CB-CG2 4.26Å; V103-V342 HydrophobicContact CG2-CG2 3.68Å; A338-V342 PolarHBondContact O-N 3.43Å; A339-V342 PolarHBondContact O-N 3.18Å; V342-R344 PolarHBondContact O-N 2.87Å; V342-A345 WeakPolarHBondContact O-CB 3.43Å; V342-A345 PolarHBondContact O-N 2.76Å; V342-A345 VanDerWaalsContact O-N 3.15Å; V342-I346 HydrophobicContact CG1-CD1 3.74Å; V342-I346 HydrophobicContact CG1-CG1 4.36Å; V342-I346 WeakPolarHBondContact O-CG1 3.03Å; V342-I346 PolarHBondContact O-N 3.35Å
343	R	98.6	Very high	97.3	Very high	82 Å²	82	49.7 Å²	49.7	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-58.7	-47.4	176.6	-172.4	177.1	-177.3	110.4	8.2	111.4	I51 L52 D54 V55 A339 R340 E341 A345 I346 T347	I51-R343 PolarHBondContact O-NH1 2.91Å; L52-R343 HydrophobicContact CD2-CB 3.95Å; D54-R343 IonicContact OD1-CZ 3.91Å; D54-R343 IonicContact OD1-NH1 2.76Å; D54-R343 PolarHBondContact OD1-NH1 3Å; D54-R343 IonicContact OD1-NH2 3.61Å; D54-R343 IonicContact OD2-CZ 2.8Å; D54-R343 IonicContact OD2-NH1 3.5Å; D54-R343 PolarHBondContact OD2-NH1 2.95Å; D54-R343 IonicContact OD2-NH2 3.53Å; D54-R343 PolarHBondContact OD2-NH2 3.22Å; V55-R343 HydrophobicContact CG2-CG 4.29Å; A339-R343 WeakPolarHBondContact O-CB 3.4Å; A339-R343 PolarHBondContact O-N 3.13Å; R340-R343 WeakPolarHBondContact O-CB 3.43Å; R340-R343 PolarHBondContact O-N 2.87Å; E341-R343 VanDerWaalsContact C-N 3.3Å; E341-R343 PolarHBondContact O-N 3.35Å; R343-A345 VanDerWaalsContact C-N 3.27Å; R343-A345 PolarHBondContact O-N 2.98Å; R343-I346 PolarHBondContact O-N 2.8Å; R343-T347 HydrophobicContact CG-CG2 4.38Å; R343-T347 PolarHBondContact O-N 3.34Å; R343-T347 PolarHBondContact O-OG1 3.45Å
344	R	98.4	Very high	97.2	Very high	87 Å²	87	45.8 Å²	45.8	33%	0.328	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-40.1	175	-71.4	-176.2	-127.7	-94.7	-3.5	112.1	E337 R340 E341 V342 G348 S353	E337-R344 IonicContact OE1-NH2 3.73Å; E337-R344 PolarHBondContact OE1-NH2 3.43Å; R340-R344 WeakPolarHBondContact O-CG 3.29Å; R340-R344 PolarHBondContact O-N 3.44Å; E341-R344 WeakPolarHBondContact O-CB 3.41Å; E341-R344 PolarHBondContact O-N 3.32Å; E341-R344 WeakPolarHBondContact OE2-CD 3.28Å; E341-R344 IonicContact OE2-NE 2.74Å; E341-R344 PolarHBondContact OE2-NE 3.33Å; V342-R344 PolarHBondContact O-N 2.87Å; R344-G348 VanDerWaalsContact O-CA 3.29Å; R344-G348 WeakPolarHBondContact O-CA 3.49Å; R344-G348 PolarHBondContact O-N 2.78Å; R344-S353 VanDerWaalsContact CD-O 3.25Å; R344-S353 WeakPolarHBondContact CD-O 3.43Å
345	A	97.8	Very high	97.2	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-37.4	179.2	0	0	0	0	0	112.7	V101 E341 V342 R343 I350 L354	V101-A345 HydrophobicContact CB-CB 4.1Å; V101-A345 HydrophobicContact CG1-CB 3.7Å; V101-A345 HydrophobicContact CG2-CB 4.14Å; E341-A345 PolarHBondContact O-N 2.84Å; V342-A345 WeakPolarHBondContact O-CB 3.43Å; V342-A345 PolarHBondContact O-N 2.76Å; V342-A345 VanDerWaalsContact O-N 3.15Å; R343-A345 VanDerWaalsContact C-N 3.27Å; R343-A345 PolarHBondContact O-N 2.98Å; A345-I350 HydrophobicContact CB-CD1 4.01Å; A345-I350 HydrophobicContact CB-CG1 4.19Å; A345-L354 HydrophobicContact CB-CD2 3.62Å
346	I	96.8	Very high	97.1	Very high	46 Å²	46	52.3 Å²	52.3	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-75.8	-43.9	179.9	-68.9	172.6	0	0	0	111.5	P35 V37 V55 A56 V342 R343	P35-I346 HydrophobicContact CG-CD1 4.19Å; P35-I346 HydrophobicContact CG-CG2 4.02Å; V37-I346 HydrophobicContact CG2-CD1 3.84Å; V55-I346 HydrophobicContact CB-CG2 4.34Å; A56-I346 HydrophobicContact CB-CD1 3.88Å; V342-I346 HydrophobicContact CG1-CD1 3.74Å; V342-I346 HydrophobicContact CG1-CG1 4.36Å; V342-I346 WeakPolarHBondContact O-CG1 3.03Å; V342-I346 PolarHBondContact O-N 3.35Å; R343-I346 PolarHBondContact O-N 2.8Å
347	T	96.4	Very high	97.1	Very high	95 Å²	95	49.9 Å²	49.9	58%	0.583	24%	0.243	S	C	*	.	H	α-helix	trans	-88.3	-19.8	-174.8	63.2	0	0	0	0	113.6	V55 R343	V55-T347 HydrophobicContact CG1-CG2 4.05Å; R343-T347 HydrophobicContact CG-CG2 4.38Å; R343-T347 PolarHBondContact O-N 3.34Å; R343-T347 PolarHBondContact O-OG1 3.45Å
348	G	94.8	Very high	97	Very high	30 Å²	30	51.3 Å²	51.3	31%	0.309	25%	0.252	S	S	.	.	S	Bend	trans	-109.8	-170.7	-177.2	0	0	0	0	0	114.1	R344 S353	R344-G348 VanDerWaalsContact O-CA 3.29Å; R344-G348 WeakPolarHBondContact O-CA 3.49Å; R344-G348 PolarHBondContact O-N 2.78Å; G348-S353 WeakPolarHBondContact CA-OG 3.42Å
349	R	93.9	Very high	97	Very high	187 Å²	187	51.3 Å²	51.3	71%	0.706	25%	0.253	S	S	*	.			trans	-97.8	123.9	175.9	-173.6	179.8	-178.5	174.9	-0.7	109.9	D352 S353	R349-D352 PolarHBondContact O-N 2.95Å; R349-S353 PolarHBondContact N-OG 2.91Å; R349-S353 WeakPolarHBondContact O-CB 3.39Å; R349-S353 PolarHBondContact O-N 2.8Å; R349-S353 PolarHBondContact O-OG 2.85Å
350	I	94.5	Very high	96.7	Very high	28 Å²	28	55 Å²	55	14%	0.144	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	137.4	173	-64.5	171.3	0	0	0	109.7	R100 V101 A123 A345 L354	R100-I350 HydrophobicContact CB-CD1 4Å; V101-I350 HydrophobicContact CB-CD1 4.27Å; A123-I350 HydrophobicContact CB-CG2 3.67Å; A345-I350 HydrophobicContact CB-CD1 4.01Å; A345-I350 HydrophobicContact CB-CG1 4.19Å; I350-L354 HydrophobicContact CG1-CD1 4.46Å; I350-L354 HydrophobicContact CG1-CD2 4.44Å; I350-L354 HydrophobicContact CG2-CD1 4.06Å
351	P	94.2	Very high	96.4	Very high	23 Å²	23	57.8 Å²	57.8	15%	0.149	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90.3	-0.5	-3.3	35	-33.9	0	0	0	114.7	S353 L354 K360 L363	P351-S353 VanDerWaalsContact C-N 3.34Å; P351-S353 PolarHBondContact O-N 3.32Å; P351-L354 HydrophobicContact CB-CD1 4.2Å; P351-L354 WeakPolarHBondContact O-CB 3.48Å; P351-L354 PolarHBondContact O-N 3.29Å; P351-K360 HydrophobicContact CB-CG 4.35Å; P351-K360 HydrophobicContact CG-CG 4.17Å; P351-L363 HydrophobicContact CB-CD1 3.89Å; P351-L363 HydrophobicContact CG-CD1 4.19Å
352	D	93.8	Very high	96	Very high	97 Å²	97	62.4 Å²	62.4	52%	0.519	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.7	-169.2	-64	-32.3	0	0	0	115.1	R349 L354 K360	R349-D352 PolarHBondContact O-N 2.95Å; D352-L354 VanDerWaalsContact C-N 3.34Å; D352-K360 IonicContact OD1-NZ 3.66Å
353	S	96.3	Very high	95.5	Very high	49 Å²	49	63 Å²	63	34%	0.343	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.9	179.3	-57.2	0	0	0	0	113.6	R344 G348 R349 P351	R344-S353 VanDerWaalsContact CD-O 3.25Å; R344-S353 WeakPolarHBondContact CD-O 3.43Å; G348-S353 WeakPolarHBondContact CA-OG 3.42Å; R349-S353 PolarHBondContact N-OG 2.91Å; R349-S353 WeakPolarHBondContact O-CB 3.39Å; R349-S353 PolarHBondContact O-N 2.8Å; R349-S353 PolarHBondContact O-OG 2.85Å; P351-S353 VanDerWaalsContact C-N 3.34Å; P351-S353 PolarHBondContact O-N 3.32Å
354	L	97.8	Very high	95	Very high	17 Å²	17	63.6 Å²	63.6	9%	0.089	31%	0.314	C	S	.	.			trans	-78.8	138.8	-179	-56.4	178.1	0	0	0	110	A123 A345 I350 P351 D352 C357	A123-L354 HydrophobicContact CB-CD1 3.52Å; A345-L354 HydrophobicContact CB-CD2 3.62Å; I350-L354 HydrophobicContact CG1-CD1 4.46Å; I350-L354 HydrophobicContact CG1-CD2 4.44Å; I350-L354 HydrophobicContact CG2-CD1 4.06Å; P351-L354 HydrophobicContact CB-CD1 4.2Å; P351-L354 WeakPolarHBondContact O-CB 3.48Å; P351-L354 PolarHBondContact O-N 3.29Å; D352-L354 VanDerWaalsContact C-N 3.34Å; L354-C357 HydrophobicContact CB-CB 3.92Å; L354-C357 HydrophobicContact CD1-CB 3.94Å
355	K	97.6	Very high	94.2	Very high	118 Å²	118	62 Å²	62	51%	0.513	32%	0.32	S	S	.	.	S	Bend	trans	-82.1	-42.8	-179	-178	178.9	165.9	-166.8	0	111.8	E337 E341	E337-K355 VanDerWaalsContact OE1-CD 3.27Å; E337-K355 WeakPolarHBondContact OE1-CD 3.33Å; E337-K355 WeakPolarHBondContact OE1-CE 3.5Å; E337-K355 IonicContact OE1-NZ 2.84Å; E337-K355 PolarHBondContact OE1-NZ 2.87Å; E337-K355 IonicContact OE2-NZ 2.74Å; E341-K355 PolarHBondContact OE1-N 2.82Å; E341-K355 WeakPolarHBondContact OE2-CB 3.39Å; E341-K355 PolarHBondContact OE2-N 3.24Å
356	N	97.3	Very high	93.1	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.219	33%	0.334	C	S	.	.	S	Bend	trans	-130.1	51.5	-172.4	-65.5	-46.1	0	0	0	111.8	C125 N126 P128 E341 V358	C125-N356 WeakPolarHBondContact CA-O 3.29Å; C125-N356 WeakPolarHBondContact CB-O 3.47Å; N126-N356 PolarHBondContact N-O 3.46Å; N126-N356 WeakPolarHBondContact O-CB 3.25Å; P128-N356 WeakPolarHBondContact CD-ND2 3.02Å; E341-N356 PolarHBondContact OE1-N 3.34Å; N356-V358 PolarHBondContact O-N 3.32Å
357	C	98.3	Very high	91.6	Very high	23 Å²	23	65.8 Å²	65.8	16%	0.155	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-74.8	113.3	175.1	-177.4	0	0	0	0	110.8	V124 L354 N359 K360	V124-C357 CarbonylContact O-C 3.59Å; V124-C357 WeakPolarHBondContact O-CA 3.41Å; L354-C357 HydrophobicContact CB-CB 3.92Å; L354-C357 HydrophobicContact CD1-CB 3.94Å; C357-N359 PolarHBondContact SG-OD1 3.09Å; C357-K360 HydrophobicContact CB-CB 4.34Å
358	V	97.6	Very high	89.8	Confident	44 Å²	44	67.7 Å²	67.7	27%	0.267	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.4	-174.7	-60.2	0	0	0	0	113.4	F109 V114 V124 N126 N356	F109-V358 HydrophobicContact CD1-CB 4.32Å; F109-V358 HydrophobicContact CD1-CG1 3.97Å; F109-V358 HydrophobicContact CD1-CG2 4.21Å; F109-V358 HydrophobicContact CD2-CG2 4.22Å; F109-V358 HydrophobicContact CE1-CB 4.2Å; F109-V358 HydrophobicContact CE1-CG1 3.94Å; F109-V358 HydrophobicContact CG-CG2 4.05Å; F109-V358 HydrophobicContact CZ-CB 4.37Å; V114-V358 HydrophobicContact CG1-CG2 4.16Å; V124-V358 HydrophobicContact CB-CG2 3.98Å; V124-V358 HydrophobicContact CG1-CG2 3.86Å; V124-V358 WeakPolarHBondContact O-CG2 3.44Å; V124-V358 PolarHBondContact O-N 2.89Å; N126-V358 HydrophobicContact CB-CG1 4.22Å; N356-V358 PolarHBondContact O-N 3.32Å
359	N	97.3	Very high	87.5	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.005	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	23	-179.9	75.9	-24.8	0	0	0	113.5	V114 I122 V124 C357 E361 Y362 L363	V114-N359 HydrophobicContact CB-CB 4.01Å; V114-N359 PolarHBondContact O-ND2 2.86Å; V114-N359 VanDerWaalsContact O-ND2 3.1Å; I122-N359 PolarHBondContact O-ND2 2.83Å; V124-N359 PolarHBondContact N-OD1 3.48Å; C357-N359 PolarHBondContact SG-OD1 3.09Å; N359-E361 VanDerWaalsContact C-N 3.32Å; N359-E361 PolarHBondContact O-N 3.32Å; N359-Y362 HydrophobicContact CB-CD2 3.95Å; N359-Y362 PolarHBondContact O-N 2.76Å; N359-L363 PolarHBondContact O-N 3.19Å
360	K	94.1	Very high	85.1	Confident	77 Å²	77	71.6 Å²	71.6	34%	0.335	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-42.6	-176.9	-174	171.2	-176.7	169.7	0	112.9	P351 D352 C357 Y362 L363 M364	P351-K360 HydrophobicContact CB-CG 4.35Å; P351-K360 HydrophobicContact CG-CG 4.17Å; D352-K360 IonicContact OD1-NZ 3.66Å; C357-K360 HydrophobicContact CB-CB 4.34Å; K360-Y362 PolarHBondContact O-N 3.1Å; K360-L363 PolarHBondContact O-N 3.15Å; K360-M364 HydrophobicContact CG-SD 4.21Å; K360-M364 WeakPolarHBondContact O-CG 3.17Å; K360-M364 PolarHBondContact O-N 2.75Å
361	E	91.1	Very high	82.5	Confident	161 Å²	161	76 Å²	76	75%	0.752	40%	0.401	S	S	*	.	H	α-helix	trans	-62.7	-43.6	-180	-64.7	179.9	-178.5	0	0	111.5	N359 L363 M364 A365	N359-E361 VanDerWaalsContact C-N 3.32Å; N359-E361 PolarHBondContact O-N 3.32Å; E361-L363 PolarHBondContact O-N 2.74Å; E361-M364 PolarHBondContact O-N 3.33Å; E361-A365 WeakPolarHBondContact O-CB 3.22Å; E361-A365 PolarHBondContact O-N 2.74Å
362	Y	90.5	Very high	79.9	Confident	101 Å²	101	82.8 Å²	82.8	40%	0.396	43%	0.433	S	S	.	.	H	α-helix	trans	-64.1	-40.8	176	-57	-66.8	0	0	0	112	V114 K115 N359 K360 M364 A365 A366	V114-Y362 HydrophobicContact CG2-CE2 4.5Å; K115-Y362 HydrophobicContact CD-CE1 4.32Å; K115-Y362 WeakPolarHBondContact CE-OH 3.21Å; K115-Y362 HydrophobicContact CG-CD1 4.19Å; K115-Y362 HydrophobicContact CG-CD2 4.47Å; K115-Y362 HydrophobicContact CG-CE1 3.87Å; K115-Y362 HydrophobicContact CG-CE2 4.18Å; K115-Y362 HydrophobicContact CG-CG 4.48Å; N359-Y362 HydrophobicContact CB-CD2 3.95Å; N359-Y362 PolarHBondContact O-N 2.76Å; K360-Y362 PolarHBondContact O-N 3.1Å; Y362-M364 PolarHBondContact O-N 2.89Å; Y362-A365 PolarHBondContact O-N 2.97Å; Y362-A366 WeakPolarHBondContact O-CB 3.42Å; Y362-A366 PolarHBondContact O-N 2.86Å
363	L	88.5	Confident	77.2	Confident	12 Å²	12	87.4 Å²	87.4	6%	0.063	45%	0.451	C	S	.	.	H	α-helix	trans	-62.2	-42.8	176.3	-75.2	169.4	0	0	0	112.1	A118 A123 P351 N359 K360 E361 S367	A118-L363 HydrophobicContact CB-CD2 4.07Å; A118-L363 HydrophobicContact CB-CG 4.07Å; A123-L363 HydrophobicContact CB-CD1 3.8Å; P351-L363 HydrophobicContact CB-CD1 3.89Å; P351-L363 HydrophobicContact CG-CD1 4.19Å; N359-L363 PolarHBondContact O-N 3.19Å; K360-L363 PolarHBondContact O-N 3.15Å; E361-L363 PolarHBondContact O-N 2.74Å; L363-S367 WeakPolarHBondContact O-CB 2.98Å; L363-S367 PolarHBondContact O-N 3.23Å; L363-S367 PolarHBondContact O-OG 3.39Å
364	M	87.4	Confident	74.1	Confident	95 Å²	95	89.9 Å²	89.9	47%	0.468	47%	0.474	S	S	.	.	H	α-helix	trans	-67.2	-39.2	178.3	-70.6	-176.9	68.8	0	0	111.5	K360 E361 Y362 Q368	K360-M364 HydrophobicContact CG-SD 4.21Å; K360-M364 WeakPolarHBondContact O-CG 3.17Å; K360-M364 PolarHBondContact O-N 2.75Å; E361-M364 PolarHBondContact O-N 3.33Å; Y362-M364 PolarHBondContact O-N 2.89Å; M364-Q368 WeakPolarHBondContact O-CG 3.29Å; M364-Q368 PolarHBondContact O-N 3.21Å
365	A	82.4	Confident	71	Confident	55 Å²	55	93 Å²	93	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-66.8	-46.9	175.9	0	0	0	0	0	112.2	E361 Y362 S367 Q368	E361-A365 WeakPolarHBondContact O-CB 3.22Å; E361-A365 PolarHBondContact O-N 2.74Å; Y362-A365 PolarHBondContact O-N 2.97Å; A365-S367 VanDerWaalsContact C-N 3.26Å; A365-S367 PolarHBondContact O-N 3.02Å; A365-Q368 PolarHBondContact O-N 3.05Å; A365-Q368 VanDerWaalsContact O-N 3.09Å
366	A	74.8	Confident	68	Low	37 Å²	37	93.5 Å²	93.5	31%	0.306	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-35.8	177.8	0	0	0	0	0	112.1	Y362 Q368 W369	Y362-A366 WeakPolarHBondContact O-CB 3.42Å; Y362-A366 PolarHBondContact O-N 2.86Å; A366-Q368 VanDerWaalsContact C-N 3.25Å; A366-Q368 PolarHBondContact O-N 2.92Å; A366-W369 PolarHBondContact O-N 3.25Å
367	S	64.6	Low	64.8	Low	91 Å²	91	98 Å²	98	64%	0.636	55%	0.545	S	S	*	.	H	α-helix	trans	-68.8	-19.7	177.3	-59.2	0	0	0	0	114	L363 A365 P370	L363-S367 WeakPolarHBondContact O-CB 2.98Å; L363-S367 PolarHBondContact O-N 3.23Å; L363-S367 PolarHBondContact O-OG 3.39Å; A365-S367 VanDerWaalsContact C-N 3.26Å; A365-S367 PolarHBondContact O-N 3.02Å; S367-P370 WeakPolarHBondContact O-CD 3.42Å
368	Q	58.5	Low	61.7	Low	135 Å²	135	104.8 Å²	104.8	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-86.5	-19.5	178	-69.4	171.4	24.9	0	0	112.4	M364 A365 A366 T371	M364-Q368 WeakPolarHBondContact O-CG 3.29Å; M364-Q368 PolarHBondContact O-N 3.21Å; A365-Q368 PolarHBondContact O-N 3.05Å; A365-Q368 VanDerWaalsContact O-N 3.09Å; A366-Q368 VanDerWaalsContact C-N 3.25Å; A366-Q368 PolarHBondContact O-N 2.92Å; Q368-T371 PolarHBondContact O-OG1 3.28Å
369	W	47.2	Very low	58.5	Low	208 Å²	208	107.7 Å²	107.7	79%	0.788	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-0.1	-176.5	-148.4	-92.3	0	0	0	117.8	A366 T371	A366-W369 PolarHBondContact O-N 3.25Å; W369-T371 VanDerWaalsContact C-N 3.27Å; W369-T371 PolarHBondContact O-N 2.9Å
370	P	44.4	Very low	55.4	Low	91 Å²	91	116.3 Å²	116.3	59%	0.591	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	0.3	169.3	-12.3	28.6	0	0	0	114.9	S367	S367-P370 WeakPolarHBondContact O-CD 3.42Å
371	T	39.6	Very low	52.2	Low	120 Å²	120	120.8 Å²	120.8	74%	0.736	66%	0.66	S	S	*	*	S	Bend	trans	-118.2	8.2	-167	6.6	0	0	0	0	117.2	Q368 W369	Q368-T371 PolarHBondContact O-OG1 3.28Å; W369-T371 VanDerWaalsContact C-N 3.27Å; W369-T371 PolarHBondContact O-N 2.9Å
372	M	39.2	Very low	49.3	Very low	166 Å²	166	121.4 Å²	121.4	82%	0.818	67%	0.669	S	S	*	*			trans	-114.8	77.3	170.5	-83.2	-176.2	67.5	0	0	111.6
373	E	37.7	Very low	46.3	Very low	193 Å²	193	120 Å²	120	90%	0.902	69%	0.685	S	S	*	*			trans	-171.2	91.2	137.6	-107.6	179.7	-169.4	0	0	111
374	A	31	Very low	43.4	Very low	101 Å²	101	123.5 Å²	123.5	84%	0.835	72%	0.716	S	S	*	*			trans	-142.4	81.1	143	0	0	0	0	0	105.8	T376	A374-T376 PolarHBondContact O-N 2.81Å
375	A	32.8	Very low	40.5	Very low	84 Å²	84	124.7 Å²	124.7	69%	0.694	73%	0.729	S	S	*	*			trans	-48	130.4	173.9	0	0	0	0	0	109.9	V377	A375-V377 PolarHBondContact O-N 2.62Å
376	T	33.7	Very low	37.9	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	75%	0.747	S	S	*	*			trans	-49	101.8	165.9	-38.4	0	0	0	0	108.6	A374 H378	A374-T376 PolarHBondContact O-N 2.81Å; T376-H378 PolarHBondContact O-N 2.73Å
377	V	31.4	Very low	35.6	Very low	135 Å²	135	141.5 Å²	141.5	82%	0.818	77%	0.774	S	S	*	*			trans	-73.4	99.6	170.8	179	0	0	0	0	106.7	A375	A375-V377 PolarHBondContact O-N 2.62Å
378	H	31.3	Very low	33.7	Very low	165 Å²	165	146.6 Å²	146.6	76%	0.764	79%	0.785	S	S	*	*			trans	-57.5	129.3	163.2	-96.5	-84.9	0	0	0	109	T376	T376-H378 PolarHBondContact O-N 2.73Å
379	P	31.5	Very low	32.8	Very low	106 Å²	106	145.7 Å²	145.7	69%	0.688	79%	0.791	S	S	*	*	S	Bend	trans	-75.1	150.5	169.3	31.8	-29.6	0	0	0	109
380	E	30.8	Very low	32.7	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	79%	0.792	S	S	*	*			trans	85.5	88.9	175	-49.6	-170.8	178	0	0	115.3
381	L	29	Very low	31.7	Very low	171 Å²	171	141 Å²	141	90%	0.895	80%	0.8	S	S	*	*			trans	-171.8	90.6	138.5	-98.5	154.6	0	0	0	109.7
382	N	28.4	Very low	31.2	Very low	174 Å²	174	143.2 Å²	143.2	93%	0.93	81%	0.807	S	S	*	*			trans	-169.5	118.2	136.4	-108.8	-15.4	0	0	0	111
383	G	27.6	Very low	30.6	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	81%	0.808	S	S	*	*			trans	-179	61	178.7	0	0	0	0	0	114.9
384	A	27.5	Very low	30.1	Very low	85 Å²	85	141 Å²	141	70%	0.702	80%	0.803	S	S	*	*			trans	59	127.5	140.4	0	0	0	0	0	122.1
385	T	27.9	Very low	30	Very low	121 Å²	121	143.3 Å²	143.3	74%	0.742	81%	0.806	S	S	*	*			trans	90	123	133.7	55.4	0	0	0	0	122.7
386	Y	27.8	Very low	29.7	Very low	212 Å²	212	143.8 Å²	143.8	83%	0.831	81%	0.81	S	S	*	*			trans	126.3	129	140.3	-78.3	-77.5	0	0	0	120
387	R	26.6	Very low	29.4	Very low	232 Å²	232	142.2 Å²	142.2	88%	0.875	81%	0.81	S	S	*	*			trans	-18	147.4	165.3	-80.4	174	179.7	172	0.1	122.4
388	F	23.3	Very low	29.3	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.873	81%	0.808	S	S	*	*			trans	-44.1	177.2	161	-71.3	-82.7	0	0	0	118.5
389	P	39.4	Very low	29.1	Very low	115 Å²	115	139.1 Å²	139.1	75%	0.747	81%	0.813	S	S	*	*			cis	-133.6	-145.8	-40.4	35.7	-12.5	0	0	0	112.9
390	P	44.9	Very low	28.9	Very low	127 Å²	127	138.1 Å²	138.1	83%	0.825	82%	0.822	S	S	*	*				-98.5	166.6	-114.3	40.5	-23.1	0	0	0	117.6
391	G	25.4	Very low	28.7	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	82%	0.821	S	S	*	*			trans	160.3	119.3	160.4	0	0	0	0	0	118.8
392	L	27.4	Very low	29	Very low	168 Å²	168	133.1 Å²	133.1	88%	0.88	82%	0.82	S	S	*	*			trans	30.4	125.8	142.3	-98.2	106.6	0	0	0	122.5
393	I	27.4	Very low	29.7	Very low	164 Å²	164	131 Å²	131	84%	0.841	82%	0.816	S	S	*	*				175.4	137.2	109.6	-84.4	156.6	0	0	0	111.3
394	N	26.9	Very low	29.8	Very low	148 Å²	148	130.6 Å²	130.6	79%	0.791	81%	0.811	S	S	*	*			trans	-54.7	153.8	170.6	-80.9	-24.5	0	0	0	115.6
395	V	28.4	Very low	29.9	Very low	149 Å²	149	132 Å²	132	90%	0.903	82%	0.823	S	S	*	*				-157	140.5	118.4	174.4	0	0	0	0	109.5
396	A	27.5	Very low	29.9	Very low	94 Å²	94	129.2 Å²	129.2	78%	0.777	82%	0.818	S	S	*	*			trans	-96.7	159.4	-176.9	0	0	0	0	0	114.6
397	A	26.8	Very low	29.9	Very low	95 Å²	95	126.5 Å²	126.5	79%	0.785	82%	0.824	S	S	*	*			trans	179.8	106.5	137.3	0	0	0	0	0	108.2
398	A	28.8	Very low	29.9	Very low	94 Å²	94	118.7 Å²	118.7	78%	0.777	82%	0.816	S	S	*	*				62.1	126.2	88.1	0	0	0	0	0	112.2
399	T	28.7	Very low	30.2	Very low	141 Å²	141	115.7 Å²	115.7	87%	0.865	81%	0.813	S	S	*	*			cis	-168.8	152.4	41.7	39.9	0	0	0	0	112.7
400	G	27	Very low	29.6	Very low	85 Å²	85	119 Å²	119	88%	0.876	82%	0.819	S	S	*	*			trans	98.1	118.1	149.1	0	0	0	0	0	114.7
401	G	26.7	Very low	28.8	Very low	80 Å²	80	118.1 Å²	118.1	83%	0.825	82%	0.816	S	S	*	*			cis	140.7	91.1	19.6	0	0	0	0	0	107.4
402	L	34.1	Very low	28.9	Very low	167 Å²	167	122.5 Å²	122.5	87%	0.874	82%	0.821	S	S	*	*			trans	-75.9	161.4	162.2	-85.9	164.3	0	0	0	108.7
403	P	43.7	Very low	29	Very low	130 Å²	130	120.5 Å²	120.5	84%	0.844	82%	0.816	S	S	*	*				-146.7	175.4	72.9	30.9	-7.4	0	0	0	112.7
404	G	29	Very low	29	Very low	63 Å²	63	118.2 Å²	118.2	65%	0.649	81%	0.814	S	S	*	*			cis	158.3	129.9	15.9	0	0	0	0	0	104.5
405	A	29.6	Very low	29	Very low	114 Å²	114	114.8 Å²	114.8	94%	0.942	81%	0.814	S	S	*	*				69	129.7	82.4	0	0	0	0	0	115.4
406	G	27.8	Very low	28.9	Very low	63 Å²	63	113.8 Å²	113.8	65%	0.649	81%	0.808	S	S	*	*			trans	138.6	95.5	157.2	0	0	0	0	0	113.5
407	T	28.9	Very low	29	Very low	155 Å²	155	117.1 Å²	117.1	95%	0.951	81%	0.812	S	S	*	*				72.6	132.6	75.4	62.2	0	0	0	0	116.2
408	G	26.5	Very low	29.1	Very low	68 Å²	68	116.6 Å²	116.6	70%	0.701	81%	0.808	S	S	*	*			trans	128.4	96.9	163.1	0	0	0	0	0	112
409	V	30	Very low	29.2	Very low	136 Å²	136	120.9 Å²	120.9	82%	0.824	81%	0.811	S	S	*	*				55.7	108.4	76.7	-170.9	0	0	0	0	112.4
410	E	26.8	Very low	29.1	Very low	186 Å²	186	117.1 Å²	117.1	87%	0.869	80%	0.801	S	S	*	*				164.5	150.5	107.8	-132.4	162.9	-145.3	0	0	113.2
411	S	28.3	Very low	29.3	Very low	107 Å²	107	121 Å²	121	75%	0.748	80%	0.8	S	S	*	*			trans	-68.5	154.5	-176.8	-64.4	0	0	0	0	115.3
412	L	27.8	Very low	29.4	Very low	165 Å²	165	121.4 Å²	121.4	86%	0.864	80%	0.795	S	S	*	*			trans	-163	112.7	138.1	-127.6	104	0	0	0	113.6
413	V	27.9	Very low	29.4	Very low	127 Å²	127	118.6 Å²	118.6	77%	0.77	79%	0.787	S	S	*	*				37.4	117.7	129.2	-172	0	0	0	0	121.3
414	S	27.6	Very low	28.9	Very low	115 Å²	115	119.4 Å²	119.4	80%	0.804	79%	0.789	S	S	*	*			trans	55.3	119.9	134	-139.6	0	0	0	0	121.6
415	G	27	Very low	29.1	Very low	77 Å²	77	121.9 Å²	121.9	79%	0.794	79%	0.792	S	S	*	*			trans	-154.7	95.1	166.6	0	0	0	0	0	111.2
416	T	27.6	Very low	29.4	Very low	127 Å²	127	125 Å²	125	78%	0.779	79%	0.787	S	S	*	*			trans	-61.7	130.3	173.1	-19.8	0	0	0	0	111
417	L	29.3	Very low	29.9	Very low	164 Å²	164	127.5 Å²	127.5	86%	0.859	79%	0.792	S	S	*	*			trans	-129.8	101.3	157.4	-82.5	172.4	0	0	0	109.6
418	A	27.4	Very low	30.7	Very low	84 Å²	84	125.6 Å²	125.6	69%	0.694	78%	0.782	S	S	*	*			trans	-83.9	135	164.2	0	0	0	0	0	109.2
419	H	31	Very low	31.1	Very low	184 Å²	184	131.6 Å²	131.6	85%	0.852	79%	0.791	S	S	*	*			trans	-126.8	88.9	156.3	-84.4	-54.3	0	0	0	108.6
420	G	28.1	Very low	31.2	Very low	63 Å²	63	129.5 Å²	129.5	65%	0.649	79%	0.788	S	S	*	*			trans	-94.9	158	139.9	0	0	0	0	0	106.8
421	I	29.4	Very low	31.7	Very low	166 Å²	166	126.6 Å²	126.6	85%	0.851	79%	0.786	S	S	*	*				-167.8	145.6	51.9	-73.7	166.2	0	0	0	103.2
422	A	30.3	Very low	32.1	Very low	88 Å²	88	127.1 Å²	127.1	73%	0.727	79%	0.789	S	S	*	*				-168.2	153.5	71.4	0	0	0	0	0	114.8
423	P	34.5	Very low	32.6	Very low	108 Å²	108	125.5 Å²	125.5	70%	0.701	79%	0.789	S	S	*	*			trans	-92.1	163.8	-175.8	38.6	-33.4	0	0	0	112.3
424	V	32.2	Very low	32.9	Very low	148 Å²	148	122.9 Å²	122.9	90%	0.897	79%	0.787	S	S	*	*			trans	-124.5	124.2	165.8	-175.9	0	0	0	0	108.9
425	T	33.9	Very low	33.2	Very low	115 Å²	115	126.7 Å²	126.7	71%	0.706	79%	0.792	S	S	*	*			trans	-114.7	123.4	177.9	41.8	0	0	0	0	111.2
426	H	35.7	Very low	34	Very low	179 Å²	179	128.9 Å²	128.9	83%	0.829	79%	0.792	S	S	*	*			trans	24.7	155.5	138.7	-61.4	-56.4	0	0	0	122.2
427	P	38.3	Very low	34.2	Very low	116 Å²	116	129.2 Å²	129.2	75%	0.753	79%	0.794	S	S	*	*				-157.2	-150.7	53.2	38.6	-11.6	0	0	0	115.5
428	P	45.7	Very low	34.4	Very low	114 Å²	114	129.8 Å²	129.8	74%	0.74	79%	0.79	S	S	*	*				-124.4	177.3	-68.2	35.3	-16.8	0	0	0	115.1
429	H	33.7	Very low	34.6	Very low	194 Å²	194	130.8 Å²	130.8	90%	0.898	80%	0.798	S	S	*	*			trans	-19.1	146.6	167.5	-74.8	-77.4	0	0	0	121.7
430	A	32.2	Very low	34.9	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	79%	0.794	S	S	*	*				-179.9	176.7	121	0	0	0	0	0	111.4
431	P	38.9	Very low	35.1	Very low	125 Å²	125	130.4 Å²	130.4	81%	0.812	80%	0.8	S	S	*	*				-121.8	172.2	-89.1	35.2	-16.7	0	0	0	115
432	S	35	Very low	35.3	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	79%	0.792	S	S	*	*			trans	-73	141.2	168.9	-53.9	0	0	0	0	112.8
433	P	38.7	Very low	35.7	Very low	131 Å²	131	133.9 Å²	133.9	85%	0.851	79%	0.793	S	S	*	*			trans	-97.2	140.5	153.9	34.1	-25.5	0	0	0	108.6
434	G	34.8	Very low	35.7	Very low	71 Å²	71	135 Å²	135	73%	0.732	79%	0.793	S	S	*	*			cis	157.9	116.2	11.2	0	0	0	0	0	104.3
435	Q	33.9	Very low	36.3	Very low	196 Å²	196	135.1 Å²	135.1	92%	0.916	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.8	139.5	162.1	-85.3	179.9	-37.4	0	0	108.2
436	P	43.5	Very low	37.3	Very low	123 Å²	123	134.9 Å²	134.9	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-87.8	137.8	148.9	22.6	-8.9	0	0	0	110.4
437	T	32	Very low	37.5	Very low	134 Å²	134	131.5 Å²	131.5	82%	0.822	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.6	154.2	174.5	39.7	0	0	0	0	114.8
438	K	33.3	Very low	37.9	Very low	176 Å²	176	133.2 Å²	133.2	77%	0.765	79%	0.788	S	S	*	*			trans	-9.5	134.2	154.9	-72	-176.9	167.2	-160.2	0	117.4	E440	K438-E440 IonicContact NZ-OE1 2.68Å; K438-E440 PolarHBondContact NZ-OE1 3.15Å
439	A	32.6	Very low	37.8	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	81%	0.813	S	S	*	*			trans	-120.1	112.6	137.3	0	0	0	0	0	107.9
440	E	36	Very low	38	Very low	163 Å²	163	138 Å²	138	76%	0.762	81%	0.808	S	S	*	*			trans	-78.2	145.2	155.2	-85.2	165	-166.6	0	0	107.8	K438	K438-E440 IonicContact NZ-OE1 2.68Å; K438-E440 PolarHBondContact NZ-OE1 3.15Å
441	G	33.5	Very low	38.3	Very low	75 Å²	75	140.4 Å²	140.4	77%	0.773	81%	0.81	S	S	*	*			trans	166.2	81	170.5	0	0	0	0	0	116.1
442	D	33.1	Very low	38.2	Very low	129 Å²	129	141.2 Å²	141.2	69%	0.69	81%	0.81	S	S	*	*			trans	77.1	119.1	140	-99.1	-2.2	0	0	0	122.8
443	R	37.3	Very low	38.4	Very low	198 Å²	198	142.6 Å²	142.6	75%	0.747	81%	0.81	S	S	*	*				88.6	107.9	124.6	-75.8	172.4	-169.2	-166.4	-0.8	121.8
444	D	35.8	Very low	38.4	Very low	131 Å²	131	143.3 Å²	143.3	70%	0.701	81%	0.807	S	S	*	*				70.3	109.3	115.1	-66.2	-21.5	0	0	0	121.9
445	L	44.7	Very low	38.7	Very low	152 Å²	152	148.1 Å²	148.1	80%	0.796	81%	0.812	S	S	*	*			trans	79.8	165.2	130.4	-62.3	172	0	0	0	118.4
446	P	54.6	Low	39	Very low	110 Å²	110	144.7 Å²	144.7	71%	0.714	81%	0.805	S	S	*	*				-130.9	-168.5	-84.6	34.7	-12.4	0	0	0	112
447	S	39.8	Very low	38.7	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	81%	0.805	S	S	*	*			trans	121.3	120.3	152.3	69.3	0	0	0	0	117.5
448	D	46.6	Very low	39.2	Very low	152 Å²	152	147.4 Å²	147.4	81%	0.813	80%	0.804	S	S	*	*			trans	43.1	107.4	137.6	-60.3	-18.9	0	0	0	120.3
449	Q	43.4	Very low	39.8	Very low	271 Å²	271	144.8 Å²	144.8	100%	1.266	81%	0.807	S	S	*	*				-175	0	105.9	-99.5	180	20	0	0	112

Retrieved 449 of 449 residues in 639.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).