A0A096MW08_PAPAN Loading...

Calsequestrin

Calsequestrin is a high-capacity, moderate affinity, calcium-binding protein and thus acts as an internal calcium store in muscle. Calcium ions are bound by clusters of acidic residues at the protein surface, especially at the interface between subunits. Can bind around 60 Ca(2+) ions. Regulates the release of lumenal Ca(2+) via the calcium release channel RYR2; this plays an important role in triggering muscle contraction. Plays a role in excitation-contraction coupling in the heart and in regulating the rate of heart beats.

AlphaFold DB (A0A2K6B9U7), UniProt , Accession A0A096MW08, Species PAPAN (Papio anubis, Olive baboon), Gene CASQ2, Length 400 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	43.5	Very low	45.4	Very low	239 Å²	239	153.9 Å²	153.9	100%	1.177	77%	0.774	S	S	*	*				0	86.9	0	-71.5	171.6	-174.7	0	0	109.1
2	K	43.7	Very low	45.1	Very low	205 Å²	205	157.3 Å²	157.3	89%	0.891	77%	0.773	S	S	*	*			trans	-149.2	76.4	176.2	-82.2	-171.7	176.8	-178.4	0	107.4
3	R	45.7	Very low	45	Very low	247 Å²	247	159.5 Å²	159.5	93%	0.932	78%	0.777	S	S	*	*	S	Bend	trans	-163.8	23.7	174.2	-116.2	174.4	-178.4	-166.9	-1.6	114.9
4	T	50	Low	45.2	Very low	111 Å²	111	158.8 Å²	158.8	68%	0.681	78%	0.777	S	S	*	*	S	Bend	trans	-129.3	13.8	-174.3	26.6	0	0	0	0	114.7
5	H	46.7	Very low	45.6	Very low	164 Å²	164	154.9 Å²	154.9	76%	0.759	77%	0.772	S	S	*	*	S	Bend	trans	-119.5	10.1	180	-71	-19.7	0	0	0	115.1
6	L	45.8	Very low	46	Very low	165 Å²	165	151.4 Å²	151.4	86%	0.864	77%	0.767	S	S	*	*	S	Bend	trans	-113.4	13.2	177.5	-139.9	82.5	0	0	0	114.4
7	F	42.6	Very low	46.1	Very low	187 Å²	187	150.2 Å²	150.2	82%	0.82	77%	0.774	S	S	*	*	S	Bend	trans	-115.3	-4	176	-105.2	-84.2	0	0	0	114.3
8	I	46.2	Very low	46.7	Very low	113 Å²	113	151 Å²	151	58%	0.579	77%	0.766	S	S	*	*	S	Bend	trans	-97.3	-16.7	179.8	-63.1	177.8	0	0	0	112.1	Y12	I8-Y12 HydrophobicContact CG2-CD2 4.45Å
9	V	45.5	Very low	47.4	Very low	105 Å²	105	147.3 Å²	147.3	64%	0.636	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-17.2	179.6	-174.9	0	0	0	0	112.6
10	G	42.9	Very low	47.9	Very low	53 Å²	53	148.1 Å²	148.1	55%	0.546	76%	0.76	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-12.8	178.4	0	0	0	0	0	115.5
11	V	46.6	Very low	48.8	Very low	104 Å²	104	146.2 Å²	146.2	63%	0.63	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-14.7	-179.8	-178.2	0	0	0	0	112.1
12	Y	42.2	Very low	50.2	Low	194 Å²	194	138.3 Å²	138.3	76%	0.761	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	1.5	176.5	-92.3	-80.4	0	0	0	114.9	I8	I8-Y12 HydrophobicContact CG2-CD2 4.45Å
13	F	43.8	Very low	52	Low	187 Å²	187	135.1 Å²	135.1	82%	0.82	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	13.8	173	-101.3	-81.4	0	0	0	113.4
14	L	47.6	Very low	53.7	Low	149 Å²	149	129.2 Å²	129.2	78%	0.78	71%	0.707	S	S	*	*	S	Bend	trans	-108.9	18	175.3	-83	164	0	0	0	113
15	S	51.8	Low	55.3	Low	100 Å²	100	132.7 Å²	132.7	70%	0.699	71%	0.713	S	S	*	*	S	Bend	trans	-126.1	129.3	170.7	-74.9	0	0	0	0	109.9
16	S	51.5	Low	57	Low	99 Å²	99	128.2 Å²	128.2	69%	0.692	70%	0.698	S	S	*	*			trans	92.4	46.4	172	-47.7	0	0	0	0	117.1
17	C	47.3	Very low	59	Low	132 Å²	132	125.7 Å²	125.7	89%	0.892	69%	0.69	S	S	*	*				-88.5	91.7	126.3	-97	0	0	0	0	105.8	A19	C17-A19 PolarHBondContact O-N 3.06Å
18	R	56.9	Low	61.2	Low	164 Å²	164	120 Å²	120	62%	0.619	66%	0.663	S	S	*	*			trans	-75.3	64.4	170.6	-70.4	-171	175.7	175.8	-7	108.6	E20 E21	R18-E20 PolarHBondContact O-N 2.89Å; R18-E21 HydrophobicContact CB-CB 4.27Å; R18-E21 HydrophobicContact CB-CG 3.89Å; R18-E21 WeakPolarHBondContact CD-OE1 3.3Å; R18-E21 VanDerWaalsContact CD-OE2 3.3Å; R18-E21 WeakPolarHBondContact CD-OE2 2.97Å; R18-E21 IonicContact CZ-OE1 3.66Å; R18-E21 IonicContact NE-OE1 2.78Å; R18-E21 IonicContact NH1-OE1 2.69Å; R18-E21 PolarHBondContact NH1-OE1 3.26Å; R18-E21 PolarHBondContact O-N 3.18Å
19	A	59.6	Low	63.4	Low	80 Å²	80	117.7 Å²	117.7	66%	0.661	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-56.1	-30.8	177.1	0	0	0	0	0	111.1	C17 E21 G22	C17-A19 PolarHBondContact O-N 3.06Å; A19-E21 VanDerWaalsContact C-N 3.3Å; A19-E21 PolarHBondContact O-N 2.63Å; A19-G22 PolarHBondContact O-N 3.35Å
20	E	58.1	Low	65.7	Low	164 Å²	164	115 Å²	115	77%	0.766	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-62	-27.9	176.2	-64	173.8	-177.1	0	0	114	R18 G22 L23	R18-E20 PolarHBondContact O-N 2.89Å; E20-G22 PolarHBondContact O-N 3.3Å; E20-L23 PolarHBondContact O-N 3.34Å
21	E	66.1	Low	68.2	Low	109 Å²	109	118.3 Å²	118.3	51%	0.509	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-67.6	-25.5	-179.8	-78.8	-179.9	164.3	0	0	113.4	R18 A19 L23 N24	R18-E21 HydrophobicContact CB-CB 4.27Å; R18-E21 HydrophobicContact CB-CG 3.89Å; R18-E21 WeakPolarHBondContact CD-OE1 3.3Å; R18-E21 VanDerWaalsContact CD-OE2 3.3Å; R18-E21 WeakPolarHBondContact CD-OE2 2.97Å; R18-E21 IonicContact CZ-OE1 3.66Å; R18-E21 IonicContact NE-OE1 2.78Å; R18-E21 IonicContact NH1-OE1 2.69Å; R18-E21 PolarHBondContact NH1-OE1 3.26Å; R18-E21 PolarHBondContact O-N 3.18Å; A19-E21 VanDerWaalsContact C-N 3.3Å; A19-E21 PolarHBondContact O-N 2.63Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-N24 PolarHBondContact O-ND2 3.15Å
22	G	72.9	Confident	70.5	Confident	72 Å²	72	120.1 Å²	120.1	74%	0.742	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-81.8	-7.1	178.4	0	0	0	0	0	114.8	A19 E20	A19-G22 PolarHBondContact O-N 3.35Å; E20-G22 PolarHBondContact O-N 3.3Å
23	L	81.7	Confident	73.1	Confident	139 Å²	139	112.4 Å²	112.4	73%	0.728	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-119.7	15.7	-178.2	-66	175.5	0	0	0	112.6	E20 E21 F25	E20-L23 PolarHBondContact O-N 3.34Å; E21-L23 VanDerWaalsContact C-N 3.34Å; L23-F25 PolarHBondContact O-N 3.49Å; L23-F25 VanDerWaalsContact O-N 3.15Å
24	N	82.8	Confident	75.6	Confident	122 Å²	122	104.2 Å²	104.2	65%	0.652	59%	0.586	S	S	*	*			trans	-69.4	112.6	174.3	-74.8	-40.8	0	0	0	109.6	E21	E21-N24 PolarHBondContact O-ND2 3.15Å
25	F	82.8	Confident	77.8	Confident	184 Å²	184	100.3 Å²	100.3	81%	0.807	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-60.8	140.9	170.8	-75.2	-89.5	0	0	0	110.5	L23 T27	L23-F25 PolarHBondContact O-N 3.49Å; L23-F25 VanDerWaalsContact O-N 3.15Å; F25-T27 PolarHBondContact O-N 3.26Å; F25-T27 VanDerWaalsContact O-N 3.13Å
26	P	82.7	Confident	79.8	Confident	70 Å²	70	99.6 Å²	99.6	46%	0.455	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-58.2	118.2	173.3	-22.8	33.6	0	0	0	110.5	L79 V83	P26-L79 HydrophobicContact CB-CD1 4.31Å; P26-V83 HydrophobicContact CB-CG2 3.86Å; P26-V83 HydrophobicContact CG-CG2 3.89Å
27	T	86.6	Confident	81.9	Confident	112 Å²	112	95 Å²	95	69%	0.687	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-96.5	139.1	166.3	56.6	0	0	0	0	108.7	F25 D29 Q82	F25-T27 PolarHBondContact O-N 3.26Å; F25-T27 VanDerWaalsContact O-N 3.13Å; T27-D29 PolarHBondContact O-N 3.09Å; T27-Q82 PolarHBondContact O-NE2 2.99Å
28	Y	90.3	Very high	84.1	Confident	68 Å²	68	89.9 Å²	89.9	27%	0.267	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-53.6	124.9	175.2	176.8	-124.1	0	0	0	110.9	G30 K31 I75 E78	Y28-G30 VanDerWaalsContact C-N 3.3Å; Y28-G30 VanDerWaalsContact CE1-CA 3.41Å; Y28-G30 VanDerWaalsContact CZ-CA 3.49Å; Y28-G30 PolarHBondContact O-N 2.85Å; Y28-K31 WeakPolarHBondContact CE2-O 3.43Å; Y28-K31 VanDerWaalsContact OH-C 3.29Å; Y28-K31 PolarHBondContact OH-N 3.03Å; Y28-K31 PolarHBondContact OH-O 2.76Å; Y28-I75 HydrophobicContact CD1-CD1 3.22Å; Y28-I75 HydrophobicContact CD1-CG1 4.41Å; Y28-I75 HydrophobicContact CE1-CD1 3.42Å; Y28-I75 VanDerWaalsContact CE1-CD1 3.42Å; Y28-I75 HydrophobicContact CG-CD1 3.83Å; Y28-E78 HydrophobicContact CD2-CB 4.04Å; Y28-E78 HydrophobicContact CE2-CB 3.59Å; Y28-E78 HydrophobicContact CE2-CG 4.25Å
29	D	91.6	Very high	85.7	Confident	65 Å²	65	87.4 Å²	87.4	35%	0.348	49%	0.492	S	S	.	.			trans	-87	1.2	-172.4	74.7	-5	0	0	0	113.7	T27 K31 R33 Q82	T27-D29 PolarHBondContact O-N 3.09Å; D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 WeakPolarHBondContact OD1-CB 3.42Å; D29-K31 WeakPolarHBondContact OD1-CG 3.37Å; D29-K31 PolarHBondContact OD1-N 3.09Å; D29-K31 IonicContact OD2-NZ 3.94Å; D29-K31 PolarHBondContact OD2-NZ 2.73Å; D29-R33 IonicContact OD1-CZ 3.54Å; D29-R33 IonicContact OD1-NH1 3.78Å; D29-R33 PolarHBondContact OD1-NH1 3.13Å; D29-R33 IonicContact OD1-NH2 3.8Å; D29-R33 PolarHBondContact OD1-NH2 2.88Å; D29-R33 IonicContact OD2-CZ 2.7Å; D29-R33 IonicContact OD2-NH1 3.98Å; D29-R33 IonicContact OD2-NH2 2.9Å; D29-R33 PolarHBondContact OD2-NH2 3.26Å; D29-Q82 VanDerWaalsContact CG-OE1 3.31Å; D29-Q82 PolarHBondContact OD1-OE1 2.8Å
30	G	93.3	Very high	87.3	Confident	49 Å²	49	93.1 Å²	93.1	51%	0.505	50%	0.502	S	S	.	.	S	Bend	trans	80.4	9	178.4	0	0	0	0	0	114.7	Y28	Y28-G30 VanDerWaalsContact C-N 3.3Å; Y28-G30 VanDerWaalsContact CE1-CA 3.41Å; Y28-G30 VanDerWaalsContact CZ-CA 3.49Å; Y28-G30 PolarHBondContact O-N 2.85Å
31	K	95.3	Very high	89	Confident	122 Å²	122	87 Å²	87	53%	0.53	47%	0.474	S	S	.	.			trans	-96.8	128.8	176.4	-55.8	-172.4	-163.3	111.1	0	111.6	Y28 D29 R33	Y28-K31 WeakPolarHBondContact CE2-O 3.43Å; Y28-K31 VanDerWaalsContact OH-C 3.29Å; Y28-K31 PolarHBondContact OH-N 3.03Å; Y28-K31 PolarHBondContact OH-O 2.76Å; D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 WeakPolarHBondContact OD1-CB 3.42Å; D29-K31 WeakPolarHBondContact OD1-CG 3.37Å; D29-K31 PolarHBondContact OD1-N 3.09Å; D29-K31 IonicContact OD2-NZ 3.94Å; D29-K31 PolarHBondContact OD2-NZ 2.73Å; K31-R33 PolarHBondContact O-N 3.39Å; K31-R33 PolarHBondContact O-NH1 2.74Å; K31-R33 VanDerWaalsContact O-NH1 3.07Å
32	D	95.8	Very high	90.3	Very high	141 Å²	141	82.5 Å²	82.5	75%	0.754	45%	0.453	S	S	*	.			trans	-68.5	118.3	174.5	-47.7	-20.6	0	0	0	111.1	E78	D32-E78 WeakPolarHBondContact CA-OE1 3.44Å
33	R	95.9	Very high	91.2	Very high	33 Å²	33	86.4 Å²	86.4	13%	0.125	45%	0.45	C	S	.	.			trans	-118.1	-26.4	175.5	-64.5	176	177.1	82.5	-4.7	111.7	D29 K31 E78 A81 E85	D29-R33 IonicContact OD1-CZ 3.54Å; D29-R33 IonicContact OD1-NH1 3.78Å; D29-R33 PolarHBondContact OD1-NH1 3.13Å; D29-R33 IonicContact OD1-NH2 3.8Å; D29-R33 PolarHBondContact OD1-NH2 2.88Å; D29-R33 IonicContact OD2-CZ 2.7Å; D29-R33 IonicContact OD2-NH1 3.98Å; D29-R33 IonicContact OD2-NH2 2.9Å; D29-R33 PolarHBondContact OD2-NH2 3.26Å; K31-R33 PolarHBondContact O-N 3.39Å; K31-R33 PolarHBondContact O-NH1 2.74Å; K31-R33 VanDerWaalsContact O-NH1 3.07Å; R33-E78 WeakPolarHBondContact CA-OE2 3.38Å; R33-E78 WeakPolarHBondContact CB-OE2 3.1Å; R33-E78 VanDerWaalsContact N-CD 3.34Å; R33-E78 PolarHBondContact N-OE1 2.85Å; R33-E78 VanDerWaalsContact N-OE1 3.08Å; R33-E78 PolarHBondContact N-OE2 2.86Å; R33-A81 HydrophobicContact CB-CB 3.73Å; R33-E85 IonicContact CZ-OE1 3.61Å; R33-E85 IonicContact NE-OE1 3.89Å; R33-E85 PolarHBondContact NE-OE1 2.83Å; R33-E85 IonicContact NH2-OE1 3.45Å; R33-E85 IonicContact NH2-OE2 3.62Å
34	V	96.4	Very high	91.8	Very high	14 Å²	14	86.9 Å²	86.9	9%	0.085	45%	0.448	C	S	.	.			trans	-78.6	125	178.9	-175.4	0	0	0	0	109	L77 E78 A81 F91 M93	V34-L77 HydrophobicContact CG2-CB 3.79Å; V34-E78 HydrophobicContact CB-CG 4.43Å; V34-E78 WeakPolarHBondContact CB-OE1 3.42Å; V34-E78 HydrophobicContact CG2-CB 4.47Å; V34-E78 VanDerWaalsContact CG2-CD 3.48Å; V34-E78 HydrophobicContact CG2-CG 3.84Å; V34-E78 PolarHBondContact N-OE1 3.21Å; V34-E78 PolarHBondContact N-OE2 3.14Å; V34-A81 HydrophobicContact CG2-CB 4.44Å; V34-F91 WeakPolarHBondContact CA-O 3.38Å; V34-F91 HydrophobicContact CG2-CB 3.99Å; V34-M93 HydrophobicContact CG1-CE 3.88Å; V34-M93 HydrophobicContact CG1-CG 3.67Å; V34-M93 HydrophobicContact CG1-SD 4.23Å
35	V	94.5	Very high	92.2	Very high	67 Å²	67	81.9 Å²	81.9	41%	0.406	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.7	-173.5	-178	0	0	0	0	111	L37 F91 V92 M93	V35-L37 PolarHBondContact O-N 3.31Å; V35-F91 PolarHBondContact N-O 3.27Å; V35-V92 HydrophobicContact CB-CG1 4.31Å; V35-V92 CarbonylContact O-C 3.54Å; V35-V92 WeakPolarHBondContact O-CA 3.46Å; V35-V92 WeakPolarHBondContact O-CB 3.33Å; V35-M93 PolarHBondContact O-N 3.05Å
36	S	94.7	Very high	92.6	Very high	86 Å²	86	76.7 Å²	76.7	60%	0.601	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	119.9	168.8	-51.1	0	0	0	0	110.7	N41	S36-N41 PolarHBondContact O-ND2 3Å
37	L	94.3	Very high	93	Very high	3 Å²	3	82 Å²	82	2%	0.016	42%	0.418	C	S	.	.			trans	-86.2	140.5	177.8	-163.8	68.6	0	0	0	110	V35 F42 V45 L54 V92 M93 V94 L102	V35-L37 PolarHBondContact O-N 3.31Å; L37-F42 HydrophobicContact CD1-CB 4.33Å; L37-F42 HydrophobicContact CD1-CD2 4.11Å; L37-F42 HydrophobicContact CD2-CD2 3.77Å; L37-F42 HydrophobicContact CD2-CE2 4.33Å; L37-F42 HydrophobicContact CG-CD2 4.19Å; L37-V45 HydrophobicContact CD1-CB 4Å; L37-V45 HydrophobicContact CD1-CG1 4.16Å; L37-V45 HydrophobicContact CD1-CG2 4.05Å; L37-L54 HydrophobicContact CD2-CD2 3.45Å; L37-L54 VanDerWaalsContact CD2-CD2 3.45Å; L37-V92 HydrophobicContact CB-CB 4.09Å; L37-V92 HydrophobicContact CB-CG2 4.23Å; L37-V92 HydrophobicContact CD1-CG1 4.38Å; L37-V92 HydrophobicContact CD2-CG2 4.06Å; L37-M93 PolarHBondContact N-O 2.93Å; L37-V94 HydrophobicContact CB-CG2 3.89Å; L37-V94 HydrophobicContact CD2-CG2 3.83Å; L37-V94 HydrophobicContact CG-CG2 4.44Å; L37-L102 HydrophobicContact CD2-CD2 3.94Å; L37-L102 HydrophobicContact CG-CD2 3.91Å
38	S	93.6	Very high	93.3	Very high	23 Å²	23	83.5 Å²	83.5	16%	0.161	42%	0.415	C	S	.	.			trans	-146.2	167.1	175.9	62.2	0	0	0	0	110.2	K40 N41 F42 E99	S38-K40 PolarHBondContact O-N 3.23Å; S38-N41 PolarHBondContact N-OD1 2.73Å; S38-N41 PolarHBondContact O-N 3.3Å; S38-N41 PolarHBondContact O-OD1 3.33Å; S38-N41 PolarHBondContact OG-OD1 2.91Å; S38-F42 WeakPolarHBondContact O-CB 3.35Å; S38-F42 PolarHBondContact O-N 2.87Å; S38-E99 VanDerWaalsContact CA-CD 3.48Å; S38-E99 VanDerWaalsContact CA-OE2 3.23Å; S38-E99 WeakPolarHBondContact CA-OE2 3.41Å; S38-E99 VanDerWaalsContact CB-CD 3.42Å; S38-E99 VanDerWaalsContact CB-OE1 3.23Å; S38-E99 WeakPolarHBondContact CB-OE1 3.48Å; S38-E99 WeakPolarHBondContact CB-OE2 3.31Å
39	E	90.8	Very high	93.5	Very high	112 Å²	112	82.8 Å²	82.8	52%	0.523	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.9	174.9	-69.6	-170.7	149.5	0	0	113.2	E99 K101 L102	E39-E99 PolarHBondContact N-OE2 2.72Å; E39-E99 VanDerWaalsContact N-OE2 3.17Å; E39-K101 WeakPolarHBondContact OE1-CB 3.44Å; E39-L102 HydrophobicContact CG-CB 4.24Å
40	K	93.6	Very high	93.5	Very high	200 Å²	200	86.1 Å²	86.1	87%	0.87	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-41.2	-176.9	-65	176.8	-175.8	167.7	0	113.2	S38	S38-K40 PolarHBondContact O-N 3.23Å
41	N	94	Very high	93.6	Very high	36 Å²	36	84 Å²	84	19%	0.193	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-13.1	-175.3	66.2	1	0	0	0	113	S36 S38 K43 Q44 V45	S36-N41 PolarHBondContact O-ND2 3Å; S38-N41 PolarHBondContact N-OD1 2.73Å; S38-N41 PolarHBondContact O-N 3.3Å; S38-N41 PolarHBondContact O-OD1 3.33Å; S38-N41 PolarHBondContact OG-OD1 2.91Å; N41-K43 PolarHBondContact O-N 2.95Å; N41-Q44 WeakPolarHBondContact O-CA 3.42Å; N41-Q44 WeakPolarHBondContact O-CB 3.46Å; N41-Q44 PolarHBondContact O-N 3.44Å; N41-V45 HydrophobicContact CB-CG2 4.44Å; N41-V45 WeakPolarHBondContact O-CG2 3.31Å; N41-V45 PolarHBondContact O-N 2.97Å
42	F	92.6	Very high	93.6	Very high	15 Å²	15	78.2 Å²	78.2	7%	0.066	38%	0.382	C	S	.	.	H	α-helix	trans	-48	-53	-176.5	176.2	-118.1	0	0	0	113.9	L37 S38 Q44 V45 L46 L102 L106 L117	L37-F42 HydrophobicContact CD1-CB 4.33Å; L37-F42 HydrophobicContact CD1-CD2 4.11Å; L37-F42 HydrophobicContact CD2-CD2 3.77Å; L37-F42 HydrophobicContact CD2-CE2 4.33Å; L37-F42 HydrophobicContact CG-CD2 4.19Å; S38-F42 WeakPolarHBondContact O-CB 3.35Å; S38-F42 PolarHBondContact O-N 2.87Å; F42-Q44 PolarHBondContact O-N 3.46Å; F42-V45 PolarHBondContact O-N 3.15Å; F42-L46 HydrophobicContact CE1-CD2 4.25Å; F42-L46 HydrophobicContact CZ-CD2 3.92Å; F42-L46 WeakPolarHBondContact O-CB 3.4Å; F42-L46 PolarHBondContact O-N 3.03Å; F42-L102 HydrophobicContact CB-CD1 4.24Å; F42-L102 HydrophobicContact CB-CD2 4.43Å; F42-L102 HydrophobicContact CD1-CD1 3.96Å; F42-L102 HydrophobicContact CD2-CD1 4.17Å; F42-L102 HydrophobicContact CE1-CD1 4.4Å; F42-L102 HydrophobicContact CG-CD1 3.84Å; F42-L106 HydrophobicContact CE1-CD2 4.3Å; F42-L106 HydrophobicContact CE2-CD1 4.09Å; F42-L106 HydrophobicContact CE2-CD2 4.04Å; F42-L106 HydrophobicContact CZ-CD1 4.42Å; F42-L106 HydrophobicContact CZ-CD2 3.57Å; F42-L117 HydrophobicContact CE2-CD1 4.34Å
43	K	91.6	Very high	93.7	Very high	154 Å²	154	71.7 Å²	71.7	67%	0.67	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-25.7	-179.3	-68.4	-175.4	-180	180	0	113.9	N41 K47	N41-K43 PolarHBondContact O-N 2.95Å; K43-K47 WeakPolarHBondContact O-CD 3.46Å; K43-K47 VanDerWaalsContact O-CG 3.29Å; K43-K47 WeakPolarHBondContact O-CG 3.42Å
44	Q	94	Very high	93.7	Very high	149 Å²	149	70.1 Å²	70.1	70%	0.696	34%	0.342	S	S	*	.	H	α-helix	trans	-80.8	-43	178.4	-179.8	-178.7	-6	0	0	110.3	N41 F42 K47 K48	N41-Q44 WeakPolarHBondContact O-CA 3.42Å; N41-Q44 WeakPolarHBondContact O-CB 3.46Å; N41-Q44 PolarHBondContact O-N 3.44Å; F42-Q44 PolarHBondContact O-N 3.46Å; Q44-K47 PolarHBondContact O-N 3.18Å; Q44-K48 PolarHBondContact O-N 3.33Å
45	V	92.4	Very high	93.7	Very high	17 Å²	17	70.1 Å²	70.1	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-47.7	178.5	174.7	0	0	0	0	110.6	L37 N41 F42 K47 K48 Y49 L52 V92	L37-V45 HydrophobicContact CD1-CB 4Å; L37-V45 HydrophobicContact CD1-CG1 4.16Å; L37-V45 HydrophobicContact CD1-CG2 4.05Å; N41-V45 HydrophobicContact CB-CG2 4.44Å; N41-V45 WeakPolarHBondContact O-CG2 3.31Å; N41-V45 PolarHBondContact O-N 2.97Å; F42-V45 PolarHBondContact O-N 3.15Å; V45-K47 PolarHBondContact O-N 3.45Å; V45-K47 VanDerWaalsContact O-N 3.1Å; V45-K48 WeakPolarHBondContact O-CB 3.49Å; V45-K48 PolarHBondContact O-N 2.96Å; V45-Y49 HydrophobicContact CG1-CD2 4.15Å; V45-Y49 HydrophobicContact CG1-CE2 4.34Å; V45-Y49 WeakPolarHBondContact O-CD2 3.47Å; V45-L52 HydrophobicContact CG1-CD1 3.98Å; V45-L52 HydrophobicContact CG1-CD2 3.58Å; V45-L52 HydrophobicContact CG1-CG 4.47Å; V45-V92 HydrophobicContact CG1-CG1 3.95Å
46	L	91.1	Very high	93.7	Very high	75 Å²	75	67.7 Å²	67.7	39%	0.393	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.1	177.9	-170	68.3	0	0	0	114	F42 L52 L117	F42-L46 HydrophobicContact CE1-CD2 4.25Å; F42-L46 HydrophobicContact CZ-CD2 3.92Å; F42-L46 WeakPolarHBondContact O-CB 3.4Å; F42-L46 PolarHBondContact O-N 3.03Å; L46-L52 HydrophobicContact CB-CD1 4.29Å; L46-L52 HydrophobicContact CD1-CD1 3.75Å; L46-L117 HydrophobicContact CD1-CD1 4.5Å
47	K	91.6	Very high	93.7	Very high	181 Å²	181	64.3 Å²	64.3	79%	0.787	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-14.2	176.8	-73.9	-179.9	-179.8	-170.7	0	114	K43 Q44 V45	K43-K47 WeakPolarHBondContact O-CD 3.46Å; K43-K47 VanDerWaalsContact O-CG 3.29Å; K43-K47 WeakPolarHBondContact O-CG 3.42Å; Q44-K47 PolarHBondContact O-N 3.18Å; V45-K47 PolarHBondContact O-N 3.45Å; V45-K47 VanDerWaalsContact O-N 3.1Å
48	K	92.9	Very high	93.6	Very high	143 Å²	143	69.9 Å²	69.9	62%	0.622	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-27.9	-173.6	-179.1	179.7	171.9	-157.6	0	111.7	Q44 V45	Q44-K48 PolarHBondContact O-N 3.33Å; V45-K48 WeakPolarHBondContact O-CB 3.49Å; V45-K48 PolarHBondContact O-N 2.96Å
49	Y	93.8	Very high	93.4	Very high	54 Å²	54	71.3 Å²	71.3	21%	0.212	33%	0.333	C	S	.	.			trans	-125.7	145.9	-170.9	-59.8	-76.8	0	0	0	109.7	V45 L51 L52 A88 I89 G90	V45-Y49 HydrophobicContact CG1-CD2 4.15Å; V45-Y49 HydrophobicContact CG1-CE2 4.34Å; V45-Y49 WeakPolarHBondContact O-CD2 3.47Å; Y49-L51 WeakPolarHBondContact CB-O 3.44Å; Y49-L52 HydrophobicContact CD2-CD2 3.65Å; Y49-L52 HydrophobicContact CG-CD2 3.98Å; Y49-A88 WeakPolarHBondContact CA-O 3.48Å; Y49-A88 WeakPolarHBondContact CB-O 3.45Å; Y49-I89 WeakPolarHBondContact CE1-O 3.49Å; Y49-G90 VanDerWaalsContact CD1-N 3.3Å
50	D	91.3	Very high	93.2	Very high	135 Å²	135	69 Å²	69	72%	0.722	33%	0.327	S	S	*	.	S	Bend	trans	-79.8	-29.9	177.2	-61.3	-30.2	0	0	0	110.5	A88	D50-A88 HydrophobicContact CB-CB 4.22Å; D50-A88 PolarHBondContact N-O 3.49Å; D50-A88 VanDerWaalsContact OD2-CB 3.31Å; D50-A88 WeakPolarHBondContact OD2-CB 3.36Å
51	L	94.8	Very high	92.8	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.6	176.7	-172.5	149.5	0	0	0	109.6	Y49 A88 I89 G90 V116 L117 K118 L138 L141 I142	Y49-L51 WeakPolarHBondContact CB-O 3.44Å; L51-A88 PolarHBondContact N-O 3.38Å; L51-I89 HydrophobicContact CB-CG1 4.31Å; L51-I89 HydrophobicContact CD2-CB 4.43Å; L51-I89 HydrophobicContact CD2-CG1 4.21Å; L51-I89 HydrophobicContact CD2-CG2 3.57Å; L51-I89 CarbonylContact O-C 3.54Å; L51-I89 WeakPolarHBondContact O-CA 3.33Å; L51-G90 PolarHBondContact O-N 2.95Å; L51-V116 HydrophobicContact CD1-CG1 3.74Å; L51-V116 HydrophobicContact CD2-CG1 3.41Å; L51-V116 VanDerWaalsContact CD2-CG1 3.41Å; L51-V116 HydrophobicContact CG-CG1 3.46Å; L51-V116 VanDerWaalsContact CG-CG1 3.46Å; L51-L117 WeakPolarHBondContact CA-O 3.46Å; L51-K118 HydrophobicContact CD1-CB 4.43Å; L51-L138 HydrophobicContact CD2-CD2 3.75Å; L51-L141 HydrophobicContact CD1-CD2 3.99Å; L51-L141 HydrophobicContact CD1-CG 3.91Å; L51-I142 HydrophobicContact CD1-CG2 4.01Å
52	L	96	Very high	92.4	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.3	172.4	-66.7	179	0	0	0	109.7	V45 L46 Y49 L54 G90 V116 L117	V45-L52 HydrophobicContact CG1-CD1 3.98Å; V45-L52 HydrophobicContact CG1-CD2 3.58Å; V45-L52 HydrophobicContact CG1-CG 4.47Å; L46-L52 HydrophobicContact CB-CD1 4.29Å; L46-L52 HydrophobicContact CD1-CD1 3.75Å; Y49-L52 HydrophobicContact CD2-CD2 3.65Å; Y49-L52 HydrophobicContact CG-CD2 3.98Å; L52-L54 HydrophobicContact CB-CD1 3.86Å; L52-L54 HydrophobicContact CB-CG 4.41Å; L52-L54 WeakPolarHBondContact O-CD1 3.48Å; L52-G90 CarbonylContact C-O 3.59Å; L52-G90 WeakPolarHBondContact CA-O 3.49Å; L52-V116 CarbonylContact O-C 3.56Å; L52-V116 VanDerWaalsContact O-CA 3.26Å; L52-V116 WeakPolarHBondContact O-CA 3.46Å; L52-L117 HydrophobicContact CB-CB 4.28Å; L52-L117 HydrophobicContact CD1-CD1 4.42Å; L52-L117 PolarHBondContact N-O 3.41Å; L52-L117 PolarHBondContact O-N 2.77Å
53	C	97	Very high	92.4	Very high	4 Å²	4	69.3 Å²	69.3	3%	0.027	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.5	167.5	179.8	0	0	0	0	108.5	G90 F91 V92 V116 L138	C53-G90 PolarHBondContact N-O 2.89Å; C53-F91 HydrophobicContact CB-CD1 3.77Å; C53-F91 HydrophobicContact CB-CE1 3.8Å; C53-F91 WeakPolarHBondContact O-CA 3.23Å; C53-V92 PolarHBondContact O-N 3.48Å; C53-V116 HydrophobicContact CB-CG2 4.41Å; C53-L138 HydrophobicContact CB-CD1 4.37Å; C53-L138 HydrophobicContact CB-CD2 4.26Å
54	L	95.8	Very high	92.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.6	-171.4	-55.7	97	0	0	0	110.2	L37 L52 V92 V94 F108 L114 Y115 L117	L37-L54 HydrophobicContact CD2-CD2 3.45Å; L37-L54 VanDerWaalsContact CD2-CD2 3.45Å; L52-L54 HydrophobicContact CB-CD1 3.86Å; L52-L54 HydrophobicContact CB-CG 4.41Å; L52-L54 WeakPolarHBondContact O-CD1 3.48Å; L54-V92 CarbonylContact C-O 3.44Å; L54-V92 WeakPolarHBondContact CA-O 3.37Å; L54-V92 HydrophobicContact CB-CG2 3.92Å; L54-V92 HydrophobicContact CD2-CG2 3.56Å; L54-V92 HydrophobicContact CG-CG2 3.37Å; L54-V94 HydrophobicContact CD2-CG2 4.12Å; L54-F108 HydrophobicContact CD1-CZ 4.5Å; L54-F108 HydrophobicContact CD2-CE2 4.15Å; L54-F108 HydrophobicContact CD2-CZ 4.01Å; L54-L114 WeakPolarHBondContact O-CA 3.32Å; L54-Y115 VanDerWaalsContact CD1-O 3.31Å; L54-Y115 WeakPolarHBondContact CD1-O 3.4Å; L54-Y115 PolarHBondContact N-O 3.18Å; L54-Y115 PolarHBondContact O-N 2.99Å; L54-L117 HydrophobicContact CD1-CB 4.26Å; L54-L117 HydrophobicContact CD1-CD1 3.73Å; L54-L117 HydrophobicContact CD1-CG 3.53Å; L54-L117 HydrophobicContact CD2-CD1 4.22Å
55	Y	96.9	Very high	92.3	Very high	13 Å²	13	66.8 Å²	66.8	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	109.6	169.1	-179	-131.1	0	0	0	110.1	H57 F70 K73 L77 V92 M93 V94 G112 L114 F129	Y55-H57 HydrophobicContact CD1-CB 3.86Å; Y55-H57 HydrophobicContact CE1-CB 3.4Å; Y55-H57 HydrophobicContact CE2-CB 4.38Å; Y55-H57 HydrophobicContact CG-CB 4.49Å; Y55-F70 HydrophobicContact CE1-CD2 4.23Å; Y55-F70 AromaticContact CE1-CE2 3.96Å; Y55-F70 HydrophobicContact CE1-CE2 3.96Å; Y55-K73 HydrophobicContact CE1-CB 4.22Å; Y55-K73 HydrophobicContact CE1-CD 4.12Å; Y55-K73 HydrophobicContact CE2-CD 3.87Å; Y55-K73 VanDerWaalsContact CZ-CD 3.41Å; Y55-K73 WeakPolarHBondContact OH-CD 2.98Å; Y55-K73 PolarHBondContact OH-NZ 3.33Å; Y55-L77 HydrophobicContact CD1-CD1 4.12Å; Y55-L77 HydrophobicContact CG-CD1 3.98Å; Y55-V92 PolarHBondContact N-O 3.44Å; Y55-M93 HydrophobicContact CD1-CG 4.19Å; Y55-M93 HydrophobicContact CD1-SD 4.29Å; Y55-M93 CarbonylContact O-C 3.46Å; Y55-M93 WeakPolarHBondContact O-CA 3.26Å; Y55-V94 PolarHBondContact O-N 3.07Å; Y55-G112 WeakPolarHBondContact CE2-O 3.37Å; Y55-L114 HydrophobicContact CD2-CD2 4.05Å; Y55-L114 HydrophobicContact CD2-CG 4.25Å; Y55-L114 HydrophobicContact CG-CD2 4.29Å; Y55-F129 AromaticContact CD2-CE2 3.82Å; Y55-F129 HydrophobicContact CD2-CE2 3.82Å; Y55-F129 HydrophobicContact CD2-CZ 4.19Å; Y55-F129 AromaticContact CE2-CE2 3.89Å; Y55-F129 HydrophobicContact CE2-CE2 3.89Å; Y55-F129 HydrophobicContact CE2-CZ 4.38Å
56	Y	95.8	Very high	92.1	Very high	17 Å²	17	67.2 Å²	67.2	7%	0.067	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.1	176.4	-179	-130.8	0	0	0	108.5	V94 A96 A103 F108 E110 E111 G112 S113 Y115	Y56-V94 HydrophobicContact CD2-CB 4.11Å; Y56-V94 HydrophobicContact CD2-CG1 3.98Å; Y56-V94 HydrophobicContact CE2-CG1 4.36Å; Y56-A96 HydrophobicContact CD2-CB 4.4Å; Y56-A96 HydrophobicContact CE1-CB 4.47Å; Y56-A96 VanDerWaalsContact CE2-CA 3.46Å; Y56-A96 HydrophobicContact CE2-CB 3.55Å; Y56-A96 WeakPolarHBondContact OH-CB 3.47Å; Y56-A103 HydrophobicContact CD2-CB 4.33Å; Y56-A103 HydrophobicContact CE2-CB 3.5Å; Y56-A103 VanDerWaalsContact CE2-CB 3.5Å; Y56-F108 HydrophobicContact CD1-CB 3.77Å; Y56-F108 HydrophobicContact CD2-CB 4.34Å; Y56-F108 HydrophobicContact CD2-CD2 4.15Å; Y56-F108 HydrophobicContact CE1-CB 3.96Å; Y56-F108 HydrophobicContact CE2-CB 4.44Å; Y56-F108 HydrophobicContact CG-CB 4.02Å; Y56-F108 HydrophobicContact CG-CD2 4.23Å; Y56-F108 HydrophobicContact CG-CG 4.45Å; Y56-E110 WeakPolarHBondContact CD1-O 3.44Å; Y56-E111 HydrophobicContact CE1-CB 4.36Å; Y56-E111 HydrophobicContact CE1-CG 3.75Å; Y56-G112 WeakPolarHBondContact O-CA 3.49Å; Y56-G112 PolarHBondContact O-N 3.1Å; Y56-S113 PolarHBondContact N-O 3.43Å; Y56-Y115 HydrophobicContact CD1-CE2 4.14Å; Y56-Y115 HydrophobicContact CG-CE2 4.41Å
57	H	94.4	Very high	92.1	Very high	14 Å²	14	67.3 Å²	67.3	7%	0.065	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.8	-165.4	74.7	81	0	0	0	113.3	Y55 F70 V94 D95 A96	Y55-H57 HydrophobicContact CD1-CB 3.86Å; Y55-H57 HydrophobicContact CE1-CB 3.4Å; Y55-H57 HydrophobicContact CE2-CB 4.38Å; Y55-H57 HydrophobicContact CG-CB 4.49Å; H57-F70 HydrophobicContact CB-CE2 4.09Å; H57-F70 AromaticContact CD2-CE2 3.93Å; H57-F70 AromaticContact CE1-CE2 3.87Å; H57-F70 AromaticContact CG-CE2 3.62Å; H57-F70 AromaticContact ND1-CE2 3.57Å; H57-V94 PolarHBondContact CD2-O 2.93Å; H57-V94 VanDerWaalsContact CD2-O 3.31Å; H57-V94 PolarHBondContact N-O 2.77Å; H57-D95 IonicContact CE1-OD2 2.97Å; H57-A96 WeakPolarHBondContact O-CB 3.33Å; H57-A96 PolarHBondContact O-N 3.08Å
58	E	92	Very high	92.1	Very high	121 Å²	121	65.6 Å²	65.6	57%	0.565	34%	0.342	S	S	*	.			trans	-60.1	156.5	171	-57.2	-162.7	159.1	0	0	111.7	V60 E111	E58-V60 PolarHBondContact O-N 3.23Å; E58-V60 VanDerWaalsContact O-N 3.07Å; E58-E111 HydrophobicContact CG-CB 3.86Å; E58-E111 WeakPolarHBondContact CG-OE2 3.49Å
59	P	88.6	Confident	92	Very high	52 Å²	52	64.6 Å²	64.6	34%	0.338	34%	0.34	S	S	.	.			trans	-60.3	115.5	170.7	-22	35.6	0	0	0	110.9	S61 K97	P59-S61 PolarHBondContact O-N 3.5Å; P59-K97 HydrophobicContact CB-CB 4.37Å; P59-K97 HydrophobicContact CB-CD 4.32Å; P59-K97 HydrophobicContact CG-CB 3.37Å; P59-K97 HydrophobicContact CG-CD 3.81Å; P59-K97 HydrophobicContact CG-CG 4.27Å
60	V	87.1	Confident	92	Very high	65 Å²	65	63.7 Å²	63.7	39%	0.394	34%	0.337	S	S	.	.			trans	-59.9	115.7	-179	-171.7	0	0	0	0	110.3	E58 Q67 F70	E58-V60 PolarHBondContact O-N 3.23Å; E58-V60 VanDerWaalsContact O-N 3.07Å; V60-Q67 HydrophobicContact CG1-CG 4.09Å; V60-F70 HydrophobicContact CG1-CB 4.17Å; V60-F70 HydrophobicContact CG1-CG 4.31Å; V60-F70 HydrophobicContact CG2-CB 4.13Å; V60-F70 HydrophobicContact CG2-CD1 3.85Å; V60-F70 HydrophobicContact CG2-CD2 3.4Å; V60-F70 VanDerWaalsContact CG2-CD2 3.4Å; V60-F70 HydrophobicContact CG2-CE1 4.11Å; V60-F70 HydrophobicContact CG2-CE2 3.68Å; V60-F70 HydrophobicContact CG2-CG 3.49Å; V60-F70 VanDerWaalsContact CG2-CG 3.49Å; V60-F70 HydrophobicContact CG2-CZ 4.02Å
61	S	85.1	Confident	92.1	Very high	57 Å²	57	62.5 Å²	62.5	40%	0.399	33%	0.327	S	S	.	.			trans	-70.8	165.6	179.1	86.5	0	0	0	0	111.7	P59 D63 A66 Q67	P59-S61 PolarHBondContact O-N 3.5Å; S61-D63 PolarHBondContact O-N 2.81Å; S61-D63 WeakPolarHBondContact OG-CB 3.37Å; S61-D63 PolarHBondContact OG-N 2.96Å; S61-A66 VanDerWaalsContact OG-CB 3.28Å; S61-A66 WeakPolarHBondContact OG-CB 3.45Å; S61-Q67 PolarHBondContact O-NE2 2.72Å
62	S	86.4	Confident	92	Very high	115 Å²	115	67.7 Å²	67.7	80%	0.804	35%	0.354	S	S	*	.	S	Bend	trans	-75.3	-4.6	174.5	60.1	0	0	0	0	113.5
63	D	92.6	Very high	91.9	Very high	84 Å²	84	70.5 Å²	70.5	45%	0.449	37%	0.367	S	S	.	.	S	Bend	trans	-68.8	142.2	179.1	178.3	63.7	0	0	0	111.4	S61 V65 A66 Q67	S61-D63 PolarHBondContact O-N 2.81Å; S61-D63 WeakPolarHBondContact OG-CB 3.37Å; S61-D63 PolarHBondContact OG-N 2.96Å; D63-V65 PolarHBondContact O-N 3.2Å; D63-V65 WeakPolarHBondContact OD2-CA 3.41Å; D63-V65 VanDerWaalsContact OD2-CB 3.26Å; D63-V65 WeakPolarHBondContact OD2-CB 3.29Å; D63-V65 PolarHBondContact OD2-N 3.26Å; D63-A66 HydrophobicContact CB-CB 4.31Å; D63-A66 PolarHBondContact OD2-N 3.28Å; D63-Q67 VanDerWaalsContact O-CG 3.3Å; D63-Q67 WeakPolarHBondContact O-CG 3.24Å; D63-Q67 PolarHBondContact O-N 3.36Å
64	K	91.4	Very high	91.8	Very high	163 Å²	163	73.5 Å²	73.5	71%	0.709	38%	0.38	S	S	*	.	H	α-helix	trans	-69.3	-31.9	-174.4	-72.2	-176.8	179.6	177.3	0	113	K68	K64-K68 WeakPolarHBondContact O-CG 3.4Å; K64-K68 PolarHBondContact O-N 3.17Å
65	V	91	Very high	91.8	Very high	87 Å²	87	76.7 Å²	76.7	53%	0.527	40%	0.397	S	S	.	.	H	α-helix	trans	-71.4	-49.3	179.4	-179.2	0	0	0	0	108.8	D63 Q67 K68 Q69	D63-V65 PolarHBondContact O-N 3.2Å; D63-V65 WeakPolarHBondContact OD2-CA 3.41Å; D63-V65 VanDerWaalsContact OD2-CB 3.26Å; D63-V65 WeakPolarHBondContact OD2-CB 3.29Å; D63-V65 PolarHBondContact OD2-N 3.26Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 3.06Å; V65-K68 PolarHBondContact O-N 2.99Å; V65-Q69 HydrophobicContact CG1-CG 4.47Å; V65-Q69 WeakPolarHBondContact O-CG 3.38Å; V65-Q69 PolarHBondContact O-N 3.15Å
66	A	88.1	Confident	91.8	Very high	27 Å²	27	77.1 Å²	77.1	22%	0.223	40%	0.4	C	S	.	.	H	α-helix	trans	-57.5	-41.6	176.7	0	0	0	0	0	112.4	S61 D63 K68 Q69 F70	S61-A66 VanDerWaalsContact OG-CB 3.28Å; S61-A66 WeakPolarHBondContact OG-CB 3.45Å; D63-A66 HydrophobicContact CB-CB 4.31Å; D63-A66 PolarHBondContact OD2-N 3.28Å; A66-K68 PolarHBondContact O-N 3.21Å; A66-Q69 PolarHBondContact O-N 3.42Å; A66-F70 WeakPolarHBondContact O-CB 3.12Å; A66-F70 PolarHBondContact O-N 3.02Å
67	Q	91.3	Very high	91.9	Very high	76 Å²	76	76.4 Å²	76.4	36%	0.355	40%	0.398	S	S	.	.	H	α-helix	trans	-62.8	-40.7	175.3	-76	175.7	2.3	0	0	113	V60 S61 D63 V65 Q71	V60-Q67 HydrophobicContact CG1-CG 4.09Å; S61-Q67 PolarHBondContact O-NE2 2.72Å; D63-Q67 VanDerWaalsContact O-CG 3.3Å; D63-Q67 WeakPolarHBondContact O-CG 3.24Å; D63-Q67 PolarHBondContact O-N 3.36Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 3.06Å; Q67-Q71 WeakPolarHBondContact O-CB 3.26Å; Q67-Q71 WeakPolarHBondContact O-CG 3.41Å; Q67-Q71 PolarHBondContact O-N 2.88Å
68	K	92.8	Very high	92	Very high	146 Å²	146	76 Å²	76	64%	0.635	40%	0.396	S	S	*	.	H	α-helix	trans	-69.1	-40.7	178.2	-77.4	-180	174.5	-169.6	0	112.1	K64 V65 A66 Q71 L72	K64-K68 WeakPolarHBondContact O-CG 3.4Å; K64-K68 PolarHBondContact O-N 3.17Å; V65-K68 PolarHBondContact O-N 2.99Å; A66-K68 PolarHBondContact O-N 3.21Å; K68-Q71 PolarHBondContact O-N 2.7Å; K68-L72 WeakPolarHBondContact O-CB 3.31Å; K68-L72 PolarHBondContact O-N 2.79Å
69	Q	90.6	Very high	92.2	Very high	122 Å²	122	72.3 Å²	72.3	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-62.1	-45.1	175.9	-73.8	172.7	-33.3	0	0	110.9	V65 A66 L72 K73	V65-Q69 HydrophobicContact CG1-CG 4.47Å; V65-Q69 WeakPolarHBondContact O-CG 3.38Å; V65-Q69 PolarHBondContact O-N 3.15Å; A66-Q69 PolarHBondContact O-N 3.42Å; Q69-L72 WeakPolarHBondContact O-CB 3.36Å; Q69-L72 PolarHBondContact O-N 2.98Å; Q69-K73 PolarHBondContact O-N 3.01Å; Q69-K73 VanDerWaalsContact O-N 3.09Å
70	F	92.8	Very high	92.7	Very high	34 Å²	34	69.8 Å²	69.8	15%	0.149	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-45.4	174.9	-176.2	-92.9	0	0	0	112.2	Y55 H57 V60 A66 L72 K73 E74 M93	Y55-F70 HydrophobicContact CE1-CD2 4.23Å; Y55-F70 AromaticContact CE1-CE2 3.96Å; Y55-F70 HydrophobicContact CE1-CE2 3.96Å; H57-F70 HydrophobicContact CB-CE2 4.09Å; H57-F70 AromaticContact CD2-CE2 3.93Å; H57-F70 AromaticContact CE1-CE2 3.87Å; H57-F70 AromaticContact CG-CE2 3.62Å; H57-F70 AromaticContact ND1-CE2 3.57Å; V60-F70 HydrophobicContact CG1-CB 4.17Å; V60-F70 HydrophobicContact CG1-CG 4.31Å; V60-F70 HydrophobicContact CG2-CB 4.13Å; V60-F70 HydrophobicContact CG2-CD1 3.85Å; V60-F70 HydrophobicContact CG2-CD2 3.4Å; V60-F70 VanDerWaalsContact CG2-CD2 3.4Å; V60-F70 HydrophobicContact CG2-CE1 4.11Å; V60-F70 HydrophobicContact CG2-CE2 3.68Å; V60-F70 HydrophobicContact CG2-CG 3.49Å; V60-F70 VanDerWaalsContact CG2-CG 3.49Å; V60-F70 HydrophobicContact CG2-CZ 4.02Å; A66-F70 WeakPolarHBondContact O-CB 3.12Å; A66-F70 PolarHBondContact O-N 3.02Å; F70-L72 VanDerWaalsContact C-N 3.26Å; F70-L72 PolarHBondContact O-N 3.22Å; F70-K73 PolarHBondContact O-N 3.18Å; F70-E74 WeakPolarHBondContact O-CB 3.18Å; F70-E74 PolarHBondContact O-N 2.84Å; F70-M93 HydrophobicContact CE1-SD 4.37Å; F70-M93 HydrophobicContact CE2-SD 4.31Å; F70-M93 HydrophobicContact CZ-CE 4.41Å; F70-M93 HydrophobicContact CZ-SD 3.64Å
71	Q	92.9	Very high	93.1	Very high	110 Å²	110	66.9 Å²	66.9	51%	0.514	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-34.2	176.1	-76.7	169.1	2.7	0	0	112.7	Q67 K68 I75	Q67-Q71 WeakPolarHBondContact O-CB 3.26Å; Q67-Q71 WeakPolarHBondContact O-CG 3.41Å; Q67-Q71 PolarHBondContact O-N 2.88Å; K68-Q71 PolarHBondContact O-N 2.7Å; Q71-I75 WeakPolarHBondContact O-CB 3.5Å; Q71-I75 WeakPolarHBondContact O-CG2 3.36Å; Q71-I75 PolarHBondContact O-N 3.1Å
72	L	93.3	Very high	93.7	Very high	113 Å²	113	65.9 Å²	65.9	59%	0.592	34%	0.335	S	S	*	.	H	α-helix	trans	-66	-45.4	175.4	-177.4	64	0	0	0	111.1	K68 Q69 F70 I75 V76	K68-L72 WeakPolarHBondContact O-CB 3.31Å; K68-L72 PolarHBondContact O-N 2.79Å; Q69-L72 WeakPolarHBondContact O-CB 3.36Å; Q69-L72 PolarHBondContact O-N 2.98Å; F70-L72 VanDerWaalsContact C-N 3.26Å; F70-L72 PolarHBondContact O-N 3.22Å; L72-I75 HydrophobicContact CD1-CG2 4.22Å; L72-I75 WeakPolarHBondContact O-CG2 3.44Å; L72-I75 PolarHBondContact O-N 3.49Å; L72-V76 WeakPolarHBondContact O-CG2 3.12Å; L72-V76 PolarHBondContact O-N 3.32Å; L72-V76 VanDerWaalsContact O-N 3.11Å
73	K	94.8	Very high	94.1	Very high	61 Å²	61	62.7 Å²	62.7	27%	0.265	31%	0.311	S	S	.	.	H	α-helix	trans	-64.5	-41.4	175.5	-70.1	-172.7	172	-165.6	0	111.8	Y55 Q69 F70 V76 L77 G112 F129	Y55-K73 HydrophobicContact CE1-CB 4.22Å; Y55-K73 HydrophobicContact CE1-CD 4.12Å; Y55-K73 HydrophobicContact CE2-CD 3.87Å; Y55-K73 VanDerWaalsContact CZ-CD 3.41Å; Y55-K73 WeakPolarHBondContact OH-CD 2.98Å; Y55-K73 PolarHBondContact OH-NZ 3.33Å; Q69-K73 PolarHBondContact O-N 3.01Å; Q69-K73 VanDerWaalsContact O-N 3.09Å; F70-K73 PolarHBondContact O-N 3.18Å; K73-V76 PolarHBondContact O-N 3.43Å; K73-L77 WeakPolarHBondContact O-CG 3.43Å; K73-L77 PolarHBondContact O-N 2.9Å; K73-G112 PolarHBondContact NZ-O 3.23Å; K73-F129 HydrophobicContact CB-CD1 4.26Å; K73-F129 HydrophobicContact CB-CE1 3.62Å; K73-F129 HydrophobicContact CB-CE2 4.45Å; K73-F129 HydrophobicContact CB-CZ 3.73Å; K73-F129 HydrophobicContact CD-CD2 4.3Å; K73-F129 HydrophobicContact CD-CE1 4.47Å; K73-F129 HydrophobicContact CD-CE2 4.07Å; K73-F129 HydrophobicContact CD-CZ 4.18Å; K73-F129 HydrophobicContact CG-CD1 3.94Å; K73-F129 HydrophobicContact CG-CD2 4.46Å; K73-F129 HydrophobicContact CG-CE1 3.8Å; K73-F129 HydrophobicContact CG-CE2 4.28Å; K73-F129 HydrophobicContact CG-CG 4.29Å; K73-F129 HydrophobicContact CG-CZ 3.97Å; K73-F129 WeakPolarHBondContact O-CE1 3.33Å
74	E	94.9	Very high	94.3	Very high	66 Å²	66	58.8 Å²	58.8	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-45.6	176	-174.5	176.5	-153.3	0	0	112	F70 V76 L77 E78 M93	F70-E74 WeakPolarHBondContact O-CB 3.18Å; F70-E74 PolarHBondContact O-N 2.84Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.18Å; E74-L77 PolarHBondContact O-N 3.33Å; E74-E78 WeakPolarHBondContact O-CB 3.3Å; E74-E78 WeakPolarHBondContact O-CG 3.42Å; E74-E78 PolarHBondContact O-N 3.42Å; E74-M93 HydrophobicContact CG-CE 4.15Å; E74-M93 HydrophobicContact CG-SD 4.46Å
75	I	95.5	Very high	94.4	Very high	68 Å²	68	56.8 Å²	56.8	35%	0.349	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-34.3	-179.8	-161.5	66.8	0	0	0	112.5	Y28 Q71 L72 E78 L79	Y28-I75 HydrophobicContact CD1-CD1 3.22Å; Y28-I75 HydrophobicContact CD1-CG1 4.41Å; Y28-I75 HydrophobicContact CE1-CD1 3.42Å; Y28-I75 VanDerWaalsContact CE1-CD1 3.42Å; Y28-I75 HydrophobicContact CG-CD1 3.83Å; Q71-I75 WeakPolarHBondContact O-CB 3.5Å; Q71-I75 WeakPolarHBondContact O-CG2 3.36Å; Q71-I75 PolarHBondContact O-N 3.1Å; L72-I75 HydrophobicContact CD1-CG2 4.22Å; L72-I75 WeakPolarHBondContact O-CG2 3.44Å; L72-I75 PolarHBondContact O-N 3.49Å; I75-E78 PolarHBondContact O-N 2.91Å; I75-L79 WeakPolarHBondContact O-CB 3.25Å; I75-L79 PolarHBondContact O-N 2.91Å
76	V	96.3	Very high	94.5	Very high	21 Å²	21	59.6 Å²	59.6	13%	0.127	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-51.8	172.6	167.1	0	0	0	0	109.4	L72 K73 E74 E78 L79 V80 F129 A131 L134	L72-V76 WeakPolarHBondContact O-CG2 3.12Å; L72-V76 PolarHBondContact O-N 3.32Å; L72-V76 VanDerWaalsContact O-N 3.11Å; K73-V76 PolarHBondContact O-N 3.43Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.18Å; V76-E78 VanDerWaalsContact C-N 3.32Å; V76-E78 PolarHBondContact O-N 3.29Å; V76-L79 WeakPolarHBondContact O-CB 3.46Å; V76-L79 PolarHBondContact O-N 3.12Å; V76-L79 VanDerWaalsContact O-N 3.14Å; V76-V80 HydrophobicContact CG1-CG2 4.41Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-V80 PolarHBondContact O-N 2.69Å; V76-F129 HydrophobicContact CB-CD1 4.16Å; V76-F129 HydrophobicContact CB-CE1 3.97Å; V76-F129 HydrophobicContact CG1-CD1 3.85Å; V76-F129 HydrophobicContact CG1-CE1 3.84Å; V76-A131 HydrophobicContact CG1-CB 4.19Å; V76-L134 HydrophobicContact CG1-CD1 3.97Å
77	L	97.4	Very high	94.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-38.1	178.7	-67.6	172.2	0	0	0	113	V34 Y55 K73 E74 L79 V80 A81 L114 F129 L134	V34-L77 HydrophobicContact CG2-CB 3.79Å; Y55-L77 HydrophobicContact CD1-CD1 4.12Å; Y55-L77 HydrophobicContact CG-CD1 3.98Å; K73-L77 WeakPolarHBondContact O-CG 3.43Å; K73-L77 PolarHBondContact O-N 2.9Å; E74-L77 PolarHBondContact O-N 3.33Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-V80 PolarHBondContact O-N 2.99Å; L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.23Å; L77-L114 HydrophobicContact CD2-CD2 3.97Å; L77-F129 HydrophobicContact CD1-CZ 4.06Å; L77-F129 HydrophobicContact CD2-CE1 4.44Å; L77-F129 HydrophobicContact CD2-CZ 4.08Å; L77-F129 HydrophobicContact CG-CE1 4.14Å; L77-F129 HydrophobicContact CG-CZ 3.89Å; L77-L134 HydrophobicContact CD2-CD1 4.27Å
78	E	97.5	Very high	94.8	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.023	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-38.5	175.9	-76.8	-65.6	176.1	0	0	112.4	Y28 D32 R33 V34 E74 I75 V76 Q82	Y28-E78 HydrophobicContact CD2-CB 4.04Å; Y28-E78 HydrophobicContact CE2-CB 3.59Å; Y28-E78 HydrophobicContact CE2-CG 4.25Å; D32-E78 WeakPolarHBondContact CA-OE1 3.44Å; R33-E78 WeakPolarHBondContact CA-OE2 3.38Å; R33-E78 WeakPolarHBondContact CB-OE2 3.1Å; R33-E78 VanDerWaalsContact N-CD 3.34Å; R33-E78 PolarHBondContact N-OE1 2.85Å; R33-E78 VanDerWaalsContact N-OE1 3.08Å; R33-E78 PolarHBondContact N-OE2 2.86Å; V34-E78 HydrophobicContact CB-CG 4.43Å; V34-E78 WeakPolarHBondContact CB-OE1 3.42Å; V34-E78 HydrophobicContact CG2-CB 4.47Å; V34-E78 VanDerWaalsContact CG2-CD 3.48Å; V34-E78 HydrophobicContact CG2-CG 3.84Å; V34-E78 PolarHBondContact N-OE1 3.21Å; V34-E78 PolarHBondContact N-OE2 3.14Å; E74-E78 WeakPolarHBondContact O-CB 3.3Å; E74-E78 WeakPolarHBondContact O-CG 3.42Å; E74-E78 PolarHBondContact O-N 3.42Å; I75-E78 PolarHBondContact O-N 2.91Å; V76-E78 VanDerWaalsContact C-N 3.32Å; V76-E78 PolarHBondContact O-N 3.29Å; E78-Q82 WeakPolarHBondContact O-CB 3.46Å; E78-Q82 PolarHBondContact O-N 2.93Å
79	L	96.8	Very high	95	Very high	43 Å²	43	53.8 Å²	53.8	23%	0.225	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-46.3	174.5	-178.8	59.8	0	0	0	111.4	P26 I75 V76 L77 A81 Q82 V83 A131	P26-L79 HydrophobicContact CB-CD1 4.31Å; I75-L79 WeakPolarHBondContact O-CB 3.25Å; I75-L79 PolarHBondContact O-N 2.91Å; V76-L79 WeakPolarHBondContact O-CB 3.46Å; V76-L79 PolarHBondContact O-N 3.12Å; V76-L79 VanDerWaalsContact O-N 3.14Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.25Å; L79-Q82 WeakPolarHBondContact O-CB 3.38Å; L79-Q82 PolarHBondContact O-N 3Å; L79-Q82 VanDerWaalsContact O-N 3.15Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 3.31Å; L79-A131 HydrophobicContact CD2-CB 3.91Å; L79-A131 HydrophobicContact CG-CB 4.37Å
80	V	97.4	Very high	95.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-46.1	176	178.7	0	0	0	0	110.1	V76 L77 Q82 V83 L84 F91 A131 L134 V135 L138	V76-V80 HydrophobicContact CG1-CG2 4.41Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-V80 PolarHBondContact O-N 2.69Å; L77-V80 PolarHBondContact O-N 2.99Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 2.99Å; V80-V83 PolarHBondContact O-N 2.88Å; V80-L84 HydrophobicContact CG1-CD1 3.94Å; V80-L84 WeakPolarHBondContact O-CB 3.21Å; V80-L84 PolarHBondContact O-N 3.14Å; V80-F91 HydrophobicContact CB-CE1 4.17Å; V80-F91 HydrophobicContact CB-CZ 4.45Å; V80-F91 HydrophobicContact CG1-CD1 4.5Å; V80-F91 HydrophobicContact CG1-CE1 3.46Å; V80-F91 VanDerWaalsContact CG1-CE1 3.46Å; V80-F91 HydrophobicContact CG1-CZ 3.57Å; V80-A131 HydrophobicContact CG2-CB 3.91Å; V80-L134 HydrophobicContact CG1-CB 4.3Å; V80-L134 HydrophobicContact CG2-CB 3.91Å; V80-L134 HydrophobicContact CG2-CD1 4.23Å; V80-V135 HydrophobicContact CB-CG2 4.39Å; V80-V135 HydrophobicContact CG1-CG2 3.93Å; V80-V135 HydrophobicContact CG2-CG2 4.29Å; V80-L138 HydrophobicContact CG1-CD1 3.94Å
81	A	97.4	Very high	95.5	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-35.4	176.8	0	0	0	0	0	113	R33 V34 L77 L79 E85 F91	R33-A81 HydrophobicContact CB-CB 3.73Å; V34-A81 HydrophobicContact CG2-CB 4.44Å; L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.23Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.25Å; A81-E85 WeakPolarHBondContact O-CA 3.4Å; A81-E85 WeakPolarHBondContact O-CB 3.33Å; A81-E85 PolarHBondContact O-N 3.35Å; A81-F91 HydrophobicContact CB-CB 4.05Å; A81-F91 HydrophobicContact CB-CD1 4.46Å; A81-F91 HydrophobicContact CB-CD2 3.39Å; A81-F91 HydrophobicContact CB-CE2 3.95Å; A81-F91 HydrophobicContact CB-CG 3.7Å
82	Q	96.1	Very high	95.7	Very high	36 Å²	36	41.8 Å²	41.8	17%	0.168	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-46.3	174.1	176.5	-179.7	-45	0	0	111.8	T27 D29 E78 L79 V80 L84 E85	T27-Q82 PolarHBondContact O-NE2 2.99Å; D29-Q82 VanDerWaalsContact CG-OE1 3.31Å; D29-Q82 PolarHBondContact OD1-OE1 2.8Å; E78-Q82 WeakPolarHBondContact O-CB 3.46Å; E78-Q82 PolarHBondContact O-N 2.93Å; L79-Q82 WeakPolarHBondContact O-CB 3.38Å; L79-Q82 PolarHBondContact O-N 3Å; L79-Q82 VanDerWaalsContact O-N 3.15Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 2.99Å; Q82-L84 VanDerWaalsContact C-N 3.34Å; Q82-E85 WeakPolarHBondContact O-CB 3.29Å; Q82-E85 PolarHBondContact O-N 2.94Å
83	V	95.9	Very high	95.8	Very high	47 Å²	47	36.8 Å²	36.8	29%	0.285	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-43.6	-179.9	172.8	0	0	0	0	110.6	P26 L79 V80 H86 V135	P26-V83 HydrophobicContact CB-CG2 3.86Å; P26-V83 HydrophobicContact CG-CG2 3.89Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 3.31Å; V80-V83 PolarHBondContact O-N 2.88Å; V83-H86 PolarHBondContact O-CE1 3.1Å; V83-H86 VanDerWaalsContact O-CE1 3.26Å; V83-H86 PolarHBondContact O-ND1 2.81Å; V83-H86 VanDerWaalsContact O-ND1 3.09Å; V83-V135 HydrophobicContact CB-CG2 4.18Å; V83-V135 HydrophobicContact CG1-CG1 4.19Å; V83-V135 HydrophobicContact CG1-CG2 3.97Å
84	L	96.6	Very high	95.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12.5	-176.9	-61.5	177.5	0	0	0	113.8	V80 Q82 H86 K87 I89 F91 V135 L138 L139	V80-L84 HydrophobicContact CG1-CD1 3.94Å; V80-L84 WeakPolarHBondContact O-CB 3.21Å; V80-L84 PolarHBondContact O-N 3.14Å; Q82-L84 VanDerWaalsContact C-N 3.34Å; L84-H86 PolarHBondContact O-N 3.4Å; L84-H86 VanDerWaalsContact O-N 3.09Å; L84-K87 HydrophobicContact CB-CG 4.5Å; L84-K87 HydrophobicContact CD2-CG 4.12Å; L84-K87 WeakPolarHBondContact O-CA 3.39Å; L84-K87 VanDerWaalsContact O-CB 3.31Å; L84-K87 WeakPolarHBondContact O-CB 3.44Å; L84-K87 PolarHBondContact O-N 3.35Å; L84-I89 HydrophobicContact CB-CD1 4.42Å; L84-I89 HydrophobicContact CD1-CD1 4.05Å; L84-F91 HydrophobicContact CB-CE2 4.34Å; L84-F91 HydrophobicContact CB-CZ 4.37Å; L84-F91 HydrophobicContact CD1-CZ 4.1Å; L84-V135 HydrophobicContact CD1-CG2 4.29Å; L84-V135 HydrophobicContact CD2-CG1 4.35Å; L84-V135 HydrophobicContact CG-CG2 4.31Å; L84-L138 HydrophobicContact CD1-CB 3.83Å; L84-L138 HydrophobicContact CD1-CD1 3.83Å; L84-L139 HydrophobicContact CD2-CD1 4.45Å; L84-L139 HydrophobicContact CD2-CD2 3.73Å; L84-L139 HydrophobicContact CD2-CG 3.98Å
85	E	93.3	Very high	95.8	Very high	122 Å²	122	31.4 Å²	31.4	57%	0.57	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.3	-178.2	-176.9	171.5	-115.4	0	0	113.2	R33 A81 Q82 K87	R33-E85 IonicContact CZ-OE1 3.61Å; R33-E85 IonicContact NE-OE1 3.89Å; R33-E85 PolarHBondContact NE-OE1 2.83Å; R33-E85 IonicContact NH2-OE1 3.45Å; R33-E85 IonicContact NH2-OE2 3.62Å; A81-E85 WeakPolarHBondContact O-CA 3.4Å; A81-E85 WeakPolarHBondContact O-CB 3.33Å; A81-E85 PolarHBondContact O-N 3.35Å; Q82-E85 WeakPolarHBondContact O-CB 3.29Å; Q82-E85 PolarHBondContact O-N 2.94Å; E85-K87 VanDerWaalsContact C-N 3.27Å
86	H	92.9	Very high	95.8	Very high	146 Å²	146	28.4 Å²	28.4	68%	0.676	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.5	178.1	68.8	-80	0	0	0	113.3	V83 L84	V83-H86 PolarHBondContact O-CE1 3.1Å; V83-H86 VanDerWaalsContact O-CE1 3.26Å; V83-H86 PolarHBondContact O-ND1 2.81Å; V83-H86 VanDerWaalsContact O-ND1 3.09Å; L84-H86 PolarHBondContact O-N 3.4Å; L84-H86 VanDerWaalsContact O-N 3.09Å
87	K	94	Very high	95.6	Very high	75 Å²	75	35.2 Å²	35.2	33%	0.326	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	154.1	171.9	-55.8	-67.6	-170.7	156.2	0	108.9	L84 E85 I89 I142	L84-K87 HydrophobicContact CB-CG 4.5Å; L84-K87 HydrophobicContact CD2-CG 4.12Å; L84-K87 WeakPolarHBondContact O-CA 3.39Å; L84-K87 VanDerWaalsContact O-CB 3.31Å; L84-K87 WeakPolarHBondContact O-CB 3.44Å; L84-K87 PolarHBondContact O-N 3.35Å; E85-K87 VanDerWaalsContact C-N 3.27Å; K87-I89 HydrophobicContact CB-CD1 3.94Å; K87-I89 HydrophobicContact CB-CG1 3.99Å; K87-I89 PolarHBondContact O-N 3.02Å; K87-I142 HydrophobicContact CD-CD1 3.85Å; K87-I142 HydrophobicContact CG-CD1 4.44Å
88	A	91.6	Very high	95.4	Very high	44 Å²	44	42.8 Å²	42.8	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	43.2	179.6	0	0	0	0	0	112.6	Y49 D50 L51	Y49-A88 WeakPolarHBondContact CA-O 3.48Å; Y49-A88 WeakPolarHBondContact CB-O 3.45Å; D50-A88 HydrophobicContact CB-CB 4.22Å; D50-A88 PolarHBondContact N-O 3.49Å; D50-A88 VanDerWaalsContact OD2-CB 3.31Å; D50-A88 WeakPolarHBondContact OD2-CB 3.36Å; L51-A88 PolarHBondContact N-O 3.38Å
89	I	96.6	Very high	95.2	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127	-177	-56	171.7	0	0	0	109.4	Y49 L51 L84 K87 F91 L138 I142	Y49-I89 WeakPolarHBondContact CE1-O 3.49Å; L51-I89 HydrophobicContact CB-CG1 4.31Å; L51-I89 HydrophobicContact CD2-CB 4.43Å; L51-I89 HydrophobicContact CD2-CG1 4.21Å; L51-I89 HydrophobicContact CD2-CG2 3.57Å; L51-I89 CarbonylContact O-C 3.54Å; L51-I89 WeakPolarHBondContact O-CA 3.33Å; L84-I89 HydrophobicContact CB-CD1 4.42Å; L84-I89 HydrophobicContact CD1-CD1 4.05Å; K87-I89 HydrophobicContact CB-CD1 3.94Å; K87-I89 HydrophobicContact CB-CG1 3.99Å; K87-I89 PolarHBondContact O-N 3.02Å; I89-F91 HydrophobicContact CB-CE2 4.05Å; I89-F91 HydrophobicContact CB-CZ 4.43Å; I89-F91 HydrophobicContact CG2-CD2 4.24Å; I89-F91 HydrophobicContact CG2-CE1 4.4Å; I89-F91 HydrophobicContact CG2-CE2 3.54Å; I89-F91 HydrophobicContact CG2-CZ 3.63Å; I89-L138 HydrophobicContact CD1-CB 4.26Å; I89-I142 HydrophobicContact CD1-CG2 3.9Å; I89-I142 HydrophobicContact CG1-CG2 4.19Å
90	G	96.5	Very high	95	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.6	175.2	0	0	0	0	0	111.2	Y49 L51 L52 C53	Y49-G90 VanDerWaalsContact CD1-N 3.3Å; L51-G90 PolarHBondContact O-N 2.95Å; L52-G90 CarbonylContact C-O 3.59Å; L52-G90 WeakPolarHBondContact CA-O 3.49Å; C53-G90 PolarHBondContact N-O 2.89Å
91	F	97.9	Very high	94.8	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.4	176.6	-65.1	-94.6	0	0	0	109.8	V34 V35 C53 V80 A81 L84 I89 L138	V34-F91 WeakPolarHBondContact CA-O 3.38Å; V34-F91 HydrophobicContact CG2-CB 3.99Å; V35-F91 PolarHBondContact N-O 3.27Å; C53-F91 HydrophobicContact CB-CD1 3.77Å; C53-F91 HydrophobicContact CB-CE1 3.8Å; C53-F91 WeakPolarHBondContact O-CA 3.23Å; V80-F91 HydrophobicContact CB-CE1 4.17Å; V80-F91 HydrophobicContact CB-CZ 4.45Å; V80-F91 HydrophobicContact CG1-CD1 4.5Å; V80-F91 HydrophobicContact CG1-CE1 3.46Å; V80-F91 VanDerWaalsContact CG1-CE1 3.46Å; V80-F91 HydrophobicContact CG1-CZ 3.57Å; A81-F91 HydrophobicContact CB-CB 4.05Å; A81-F91 HydrophobicContact CB-CD1 4.46Å; A81-F91 HydrophobicContact CB-CD2 3.39Å; A81-F91 HydrophobicContact CB-CE2 3.95Å; A81-F91 HydrophobicContact CB-CG 3.7Å; L84-F91 HydrophobicContact CB-CE2 4.34Å; L84-F91 HydrophobicContact CB-CZ 4.37Å; L84-F91 HydrophobicContact CD1-CZ 4.1Å; I89-F91 HydrophobicContact CB-CE2 4.05Å; I89-F91 HydrophobicContact CB-CZ 4.43Å; I89-F91 HydrophobicContact CG2-CD2 4.24Å; I89-F91 HydrophobicContact CG2-CE1 4.4Å; I89-F91 HydrophobicContact CG2-CE2 3.54Å; I89-F91 HydrophobicContact CG2-CZ 3.63Å; F91-L138 HydrophobicContact CE1-CD1 3.5Å; F91-L138 HydrophobicContact CZ-CD1 3.56Å
92	V	96.8	Very high	94.5	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.3	-176.2	-61	0	0	0	0	112.9	V35 L37 V45 C53 L54 Y55	V35-V92 HydrophobicContact CB-CG1 4.31Å; V35-V92 CarbonylContact O-C 3.54Å; V35-V92 WeakPolarHBondContact O-CA 3.46Å; V35-V92 WeakPolarHBondContact O-CB 3.33Å; L37-V92 HydrophobicContact CB-CB 4.09Å; L37-V92 HydrophobicContact CB-CG2 4.23Å; L37-V92 HydrophobicContact CD1-CG1 4.38Å; L37-V92 HydrophobicContact CD2-CG2 4.06Å; V45-V92 HydrophobicContact CG1-CG1 3.95Å; C53-V92 PolarHBondContact O-N 3.48Å; L54-V92 CarbonylContact C-O 3.44Å; L54-V92 WeakPolarHBondContact CA-O 3.37Å; L54-V92 HydrophobicContact CB-CG2 3.92Å; L54-V92 HydrophobicContact CD2-CG2 3.56Å; L54-V92 HydrophobicContact CG-CG2 3.37Å; Y55-V92 PolarHBondContact N-O 3.44Å
93	M	96.5	Very high	94.3	Very high	9 Å²	9	51 Å²	51	4%	0.044	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.4	175	-69.3	-173.4	-73.1	0	0	110.7	V34 V35 L37 Y55 F70 E74	V34-M93 HydrophobicContact CG1-CE 3.88Å; V34-M93 HydrophobicContact CG1-CG 3.67Å; V34-M93 HydrophobicContact CG1-SD 4.23Å; V35-M93 PolarHBondContact O-N 3.05Å; L37-M93 PolarHBondContact N-O 2.93Å; Y55-M93 HydrophobicContact CD1-CG 4.19Å; Y55-M93 HydrophobicContact CD1-SD 4.29Å; Y55-M93 CarbonylContact O-C 3.46Å; Y55-M93 WeakPolarHBondContact O-CA 3.26Å; F70-M93 HydrophobicContact CE1-SD 4.37Å; F70-M93 HydrophobicContact CE2-SD 4.31Å; F70-M93 HydrophobicContact CZ-CE 4.41Å; F70-M93 HydrophobicContact CZ-SD 3.64Å; E74-M93 HydrophobicContact CG-CE 4.15Å; E74-M93 HydrophobicContact CG-SD 4.46Å
94	V	95.3	Very high	94	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.7	178.7	-177.4	0	0	0	0	109	L37 L54 Y55 Y56 H57 A96 E99 F108	L37-V94 HydrophobicContact CB-CG2 3.89Å; L37-V94 HydrophobicContact CD2-CG2 3.83Å; L37-V94 HydrophobicContact CG-CG2 4.44Å; L54-V94 HydrophobicContact CD2-CG2 4.12Å; Y55-V94 PolarHBondContact O-N 3.07Å; Y56-V94 HydrophobicContact CD2-CB 4.11Å; Y56-V94 HydrophobicContact CD2-CG1 3.98Å; Y56-V94 HydrophobicContact CE2-CG1 4.36Å; H57-V94 PolarHBondContact CD2-O 2.93Å; H57-V94 VanDerWaalsContact CD2-O 3.31Å; H57-V94 PolarHBondContact N-O 2.77Å; V94-A96 PolarHBondContact O-N 3.24Å; V94-E99 HydrophobicContact CG1-CB 4.03Å; V94-F108 HydrophobicContact CG2-CE2 4.34Å
95	D	94.7	Very high	93.6	Very high	14 Å²	14	64 Å²	64	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.2	176.4	179.2	-50.7	0	0	0	110	H57 K97 K98 E99	H57-D95 IonicContact CE1-OD2 2.97Å; D95-K97 PolarHBondContact O-N 2.93Å; D95-K97 VanDerWaalsContact O-N 3.16Å; D95-K97 PolarHBondContact OD1-N 3.24Å; D95-K98 HydrophobicContact CB-CB 4.02Å; D95-K98 HydrophobicContact CB-CD 4.47Å; D95-K98 HydrophobicContact CB-CG 4.31Å; D95-K98 PolarHBondContact O-N 2.98Å; D95-K98 PolarHBondContact OD1-N 2.87Å; D95-K98 WeakPolarHBondContact OD2-CE 3.48Å; D95-K98 IonicContact OD2-NZ 3.12Å; D95-K98 PolarHBondContact OD2-NZ 3.2Å; D95-E99 PolarHBondContact O-N 3.3Å
96	A	93.5	Very high	93.4	Very high	5 Å²	5	59.5 Å²	59.5	4%	0.041	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.8	-175.3	0	0	0	0	0	114.3	Y56 H57 V94 A100 E111	Y56-A96 HydrophobicContact CD2-CB 4.4Å; Y56-A96 HydrophobicContact CE1-CB 4.47Å; Y56-A96 VanDerWaalsContact CE2-CA 3.46Å; Y56-A96 HydrophobicContact CE2-CB 3.55Å; Y56-A96 WeakPolarHBondContact OH-CB 3.47Å; H57-A96 WeakPolarHBondContact O-CB 3.33Å; H57-A96 PolarHBondContact O-N 3.08Å; V94-A96 PolarHBondContact O-N 3.24Å; A96-A100 WeakPolarHBondContact O-CA 3.39Å; A96-A100 WeakPolarHBondContact O-CB 3.39Å; A96-A100 PolarHBondContact O-N 3.2Å; A96-E111 HydrophobicContact CB-CG 3.84Å
97	K	92.4	Very high	93.2	Very high	164 Å²	164	55 Å²	55	71%	0.713	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-41.9	-178.2	-176.5	174.2	-177.5	171.7	0	112.6	P59 D95	P59-K97 HydrophobicContact CB-CB 4.37Å; P59-K97 HydrophobicContact CB-CD 4.32Å; P59-K97 HydrophobicContact CG-CB 3.37Å; P59-K97 HydrophobicContact CG-CD 3.81Å; P59-K97 HydrophobicContact CG-CG 4.27Å; D95-K97 PolarHBondContact O-N 2.93Å; D95-K97 VanDerWaalsContact O-N 3.16Å; D95-K97 PolarHBondContact OD1-N 3.24Å
98	K	93.8	Very high	92.9	Very high	161 Å²	161	51.9 Å²	51.9	70%	0.7	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-36.4	-177.9	-64.5	-172.9	-169.3	103.8	0	111.6	D95	D95-K98 HydrophobicContact CB-CB 4.02Å; D95-K98 HydrophobicContact CB-CD 4.47Å; D95-K98 HydrophobicContact CB-CG 4.31Å; D95-K98 PolarHBondContact O-N 2.98Å; D95-K98 PolarHBondContact OD1-N 2.87Å; D95-K98 WeakPolarHBondContact OD2-CE 3.48Å; D95-K98 IonicContact OD2-NZ 3.12Å; D95-K98 PolarHBondContact OD2-NZ 3.2Å
99	E	94.3	Very high	92.5	Very high	46 Å²	46	56.1 Å²	56.1	22%	0.215	28%	0.279	C	S	.	.	S	Bend	trans	-116.2	28.1	-172.4	-57.3	-64.3	153.2	0	0	112.3	S38 E39 V94 D95 K101 L102 A103	S38-E99 VanDerWaalsContact CA-CD 3.48Å; S38-E99 VanDerWaalsContact CA-OE2 3.23Å; S38-E99 WeakPolarHBondContact CA-OE2 3.41Å; S38-E99 VanDerWaalsContact CB-CD 3.42Å; S38-E99 VanDerWaalsContact CB-OE1 3.23Å; S38-E99 WeakPolarHBondContact CB-OE1 3.48Å; S38-E99 WeakPolarHBondContact CB-OE2 3.31Å; E39-E99 PolarHBondContact N-OE2 2.72Å; E39-E99 VanDerWaalsContact N-OE2 3.17Å; V94-E99 HydrophobicContact CG1-CB 4.03Å; D95-E99 PolarHBondContact O-N 3.3Å; E99-K101 PolarHBondContact O-N 3.07Å; E99-L102 HydrophobicContact CB-CB 4.3Å; E99-L102 WeakPolarHBondContact O-CA 3.32Å; E99-L102 WeakPolarHBondContact O-CB 3.38Å; E99-L102 PolarHBondContact O-N 3.44Å; E99-A103 PolarHBondContact O-N 3.2Å
100	A	92.3	Very high	92.2	Very high	51 Å²	51	59.2 Å²	59.2	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-50.6	-33.1	-178.8	0	0	0	0	0	114.7	A96 K104	A96-A100 WeakPolarHBondContact O-CA 3.39Å; A96-A100 WeakPolarHBondContact O-CB 3.39Å; A96-A100 PolarHBondContact O-N 3.2Å; A100-K104 VanDerWaalsContact O-CB 3.29Å; A100-K104 WeakPolarHBondContact O-CB 3.28Å; A100-K104 PolarHBondContact O-N 2.96Å
101	K	92.9	Very high	91.9	Very high	158 Å²	158	63.6 Å²	63.6	69%	0.687	31%	0.313	S	S	*	.	H	α-helix	trans	-69.7	-37.7	176.1	-69.6	-178.1	-177.4	174.5	0	112.6	E39 E99 K105	E39-K101 WeakPolarHBondContact OE1-CB 3.44Å; E99-K101 PolarHBondContact O-N 3.07Å; K101-K105 WeakPolarHBondContact O-CB 3.31Å; K101-K105 PolarHBondContact O-N 2.87Å; K101-K105 VanDerWaalsContact O-N 3.14Å
102	L	91.4	Very high	91.5	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-70.4	-47.4	176.5	179.6	62	0	0	0	109.7	L37 E39 F42 E99 K104 K105 L106	L37-L102 HydrophobicContact CD2-CD2 3.94Å; L37-L102 HydrophobicContact CG-CD2 3.91Å; E39-L102 HydrophobicContact CG-CB 4.24Å; F42-L102 HydrophobicContact CB-CD1 4.24Å; F42-L102 HydrophobicContact CB-CD2 4.43Å; F42-L102 HydrophobicContact CD1-CD1 3.96Å; F42-L102 HydrophobicContact CD2-CD1 4.17Å; F42-L102 HydrophobicContact CE1-CD1 4.4Å; F42-L102 HydrophobicContact CG-CD1 3.84Å; E99-L102 HydrophobicContact CB-CB 4.3Å; E99-L102 WeakPolarHBondContact O-CA 3.32Å; E99-L102 WeakPolarHBondContact O-CB 3.38Å; E99-L102 PolarHBondContact O-N 3.44Å; L102-K104 PolarHBondContact O-N 2.88Å; L102-K105 WeakPolarHBondContact O-CA 3.49Å; L102-K105 WeakPolarHBondContact O-CB 3.33Å; L102-K105 PolarHBondContact O-N 3.49Å; L102-L106 HydrophobicContact CD1-CD1 3.87Å; L102-L106 HydrophobicContact CD1-CG 4.17Å; L102-L106 HydrophobicContact CG-CD1 3.89Å; L102-L106 HydrophobicContact CG-CG 4.49Å; L102-L106 WeakPolarHBondContact O-CG 3.24Å; L102-L106 PolarHBondContact O-N 3.39Å
103	A	90.5	Very high	91.4	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-53.6	-52.7	175.5	0	0	0	0	0	111.4	Y56 E99 K105 L106 G107 F108	Y56-A103 HydrophobicContact CD2-CB 4.33Å; Y56-A103 HydrophobicContact CE2-CB 3.5Å; Y56-A103 VanDerWaalsContact CE2-CB 3.5Å; E99-A103 PolarHBondContact O-N 3.2Å; A103-K105 PolarHBondContact O-N 2.94Å; A103-K105 VanDerWaalsContact O-N 3.17Å; A103-L106 CarbonylContact O-C 3.46Å; A103-L106 PolarHBondContact O-N 3.47Å; A103-G107 PolarHBondContact O-N 2.98Å; A103-F108 HydrophobicContact CB-CB 4.3Å; A103-F108 HydrophobicContact CB-CD2 4.32Å; A103-F108 PolarHBondContact O-N 3.03Å; A103-F108 VanDerWaalsContact O-N 3.13Å
104	K	89.9	Confident	91.3	Very high	179 Å²	179	64.2 Å²	64.2	78%	0.778	32%	0.323	S	S	*	.	H	α-helix	trans	-58.6	-32.1	175.6	-178	168.5	-176.4	164.4	0	114	A100 L102	A100-K104 VanDerWaalsContact O-CB 3.29Å; A100-K104 WeakPolarHBondContact O-CB 3.28Å; A100-K104 PolarHBondContact O-N 2.96Å; L102-K104 PolarHBondContact O-N 2.88Å
105	K	89.1	Confident	91.4	Very high	143 Å²	143	64.5 Å²	64.5	62%	0.622	33%	0.325	S	S	*	.	H	α-helix	trans	-74.2	-33.3	177.7	-176.4	-171.5	170.9	-150	0	111.7	K101 L102 A103 G107	K101-K105 WeakPolarHBondContact O-CB 3.31Å; K101-K105 PolarHBondContact O-N 2.87Å; K101-K105 VanDerWaalsContact O-N 3.14Å; L102-K105 WeakPolarHBondContact O-CA 3.49Å; L102-K105 WeakPolarHBondContact O-CB 3.33Å; L102-K105 PolarHBondContact O-N 3.49Å; A103-K105 PolarHBondContact O-N 2.94Å; A103-K105 VanDerWaalsContact O-N 3.17Å; K105-G107 VanDerWaalsContact C-N 3.35Å
106	L	88.3	Confident	91.5	Very high	29 Å²	29	63.9 Å²	63.9	15%	0.152	32%	0.321	C	S	.	.	H	α-helix	trans	-86.2	-11.2	179.5	-63.7	175	0	0	0	112.8	F42 L102 A103 F108 L117	F42-L106 HydrophobicContact CE1-CD2 4.3Å; F42-L106 HydrophobicContact CE2-CD1 4.09Å; F42-L106 HydrophobicContact CE2-CD2 4.04Å; F42-L106 HydrophobicContact CZ-CD1 4.42Å; F42-L106 HydrophobicContact CZ-CD2 3.57Å; L102-L106 HydrophobicContact CD1-CD1 3.87Å; L102-L106 HydrophobicContact CD1-CG 4.17Å; L102-L106 HydrophobicContact CG-CD1 3.89Å; L102-L106 HydrophobicContact CG-CG 4.49Å; L102-L106 WeakPolarHBondContact O-CG 3.24Å; L102-L106 PolarHBondContact O-N 3.39Å; A103-L106 CarbonylContact O-C 3.46Å; A103-L106 PolarHBondContact O-N 3.47Å; L106-F108 HydrophobicContact CB-CD1 4.01Å; L106-F108 HydrophobicContact CB-CD2 4.09Å; L106-F108 HydrophobicContact CB-CE1 3.66Å; L106-F108 HydrophobicContact CB-CE2 3.76Å; L106-F108 HydrophobicContact CB-CG 4.2Å; L106-F108 HydrophobicContact CB-CZ 3.53Å; L106-F108 HydrophobicContact CD1-CD2 4.34Å; L106-F108 HydrophobicContact CD1-CE1 4.48Å; L106-F108 HydrophobicContact CD1-CE2 3.43Å; L106-F108 VanDerWaalsContact CD1-CE2 3.43Å; L106-F108 HydrophobicContact CD1-CZ 3.52Å; L106-F108 HydrophobicContact CG-CE2 4.22Å; L106-F108 HydrophobicContact CG-CZ 4.11Å; L106-L117 HydrophobicContact CD2-CD1 4.38Å
107	G	88.5	Confident	91.5	Very high	50 Å²	50	64.4 Å²	64.4	52%	0.515	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	18	179.3	0	0	0	0	0	113.4	A103 K105 D109	A103-G107 PolarHBondContact O-N 2.98Å; K105-G107 VanDerWaalsContact C-N 3.35Å; G107-D109 PolarHBondContact O-N 2.75Å
108	F	88.5	Confident	91.6	Very high	11 Å²	11	58.4 Å²	58.4	5%	0.048	30%	0.297	C	S	.	.			trans	-74.2	125	176	-51.6	-26.6	0	0	0	109.6	L54 Y56 V94 A103 L106 Y115 T122	L54-F108 HydrophobicContact CD1-CZ 4.5Å; L54-F108 HydrophobicContact CD2-CE2 4.15Å; L54-F108 HydrophobicContact CD2-CZ 4.01Å; Y56-F108 HydrophobicContact CD1-CB 3.77Å; Y56-F108 HydrophobicContact CD2-CB 4.34Å; Y56-F108 HydrophobicContact CD2-CD2 4.15Å; Y56-F108 HydrophobicContact CE1-CB 3.96Å; Y56-F108 HydrophobicContact CE2-CB 4.44Å; Y56-F108 HydrophobicContact CG-CB 4.02Å; Y56-F108 HydrophobicContact CG-CD2 4.23Å; Y56-F108 HydrophobicContact CG-CG 4.45Å; V94-F108 HydrophobicContact CG2-CE2 4.34Å; A103-F108 HydrophobicContact CB-CB 4.3Å; A103-F108 HydrophobicContact CB-CD2 4.32Å; A103-F108 PolarHBondContact O-N 3.03Å; A103-F108 VanDerWaalsContact O-N 3.13Å; L106-F108 HydrophobicContact CB-CD1 4.01Å; L106-F108 HydrophobicContact CB-CD2 4.09Å; L106-F108 HydrophobicContact CB-CE1 3.66Å; L106-F108 HydrophobicContact CB-CE2 3.76Å; L106-F108 HydrophobicContact CB-CG 4.2Å; L106-F108 HydrophobicContact CB-CZ 3.53Å; L106-F108 HydrophobicContact CD1-CD2 4.34Å; L106-F108 HydrophobicContact CD1-CE1 4.48Å; L106-F108 HydrophobicContact CD1-CE2 3.43Å; L106-F108 VanDerWaalsContact CD1-CE2 3.43Å; L106-F108 HydrophobicContact CD1-CZ 3.52Å; L106-F108 HydrophobicContact CG-CE2 4.22Å; L106-F108 HydrophobicContact CG-CZ 4.11Å; F108-Y115 HydrophobicContact CB-CD2 4.28Å; F108-Y115 HydrophobicContact CB-CE2 3.84Å; F108-Y115 AromaticContact CD1-CD1 3.94Å; F108-Y115 HydrophobicContact CD1-CD1 3.94Å; F108-Y115 AromaticContact CD1-CD2 3.47Å; F108-Y115 HydrophobicContact CD1-CD2 3.47Å; F108-Y115 VanDerWaalsContact CD1-CD2 3.47Å; F108-Y115 HydrophobicContact CD1-CE1 4.23Å; F108-Y115 AromaticContact CD1-CE2 3.78Å; F108-Y115 HydrophobicContact CD1-CE2 3.78Å; F108-Y115 AromaticContact CD1-CG 3.54Å; F108-Y115 HydrophobicContact CD1-CG 3.54Å; F108-Y115 HydrophobicContact CD2-CD2 4.37Å; F108-Y115 HydrophobicContact CE1-CD1 4.13Å; F108-Y115 AromaticContact CE1-CD2 3.8Å; F108-Y115 HydrophobicContact CE1-CD2 3.8Å; F108-Y115 AromaticContact CE1-CG 3.55Å; F108-Y115 HydrophobicContact CE1-CG 3.55Å; F108-Y115 AromaticContact CG-CD2 3.8Å; F108-Y115 HydrophobicContact CG-CD2 3.8Å; F108-Y115 AromaticContact CG-CE2 3.89Å; F108-Y115 HydrophobicContact CG-CE2 3.89Å; F108-Y115 HydrophobicContact CG-CG 4.34Å; F108-Y115 HydrophobicContact CZ-CD2 4.37Å; F108-Y115 HydrophobicContact CZ-CG 4.33Å; F108-T122 HydrophobicContact CE1-CG2 4.1Å
109	D	83.8	Confident	91.3	Very high	132 Å²	132	54.1 Å²	54.1	71%	0.706	30%	0.299	S	S	*	.			trans	-125.3	-20.3	-178.1	51.5	-8.2	0	0	0	113.2	G107 Y115	G107-D109 PolarHBondContact O-N 2.75Å; D109-Y115 PolarHBondContact OD1-OH 3.5Å
110	E	89.1	Confident	90.9	Very high	74 Å²	74	59.2 Å²	59.2	35%	0.346	33%	0.328	S	S	.	.			trans	-104.7	102.5	-179.4	-159.2	-174	-171.8	0	0	113.7	Y56 G112 S113 Y115	Y56-E110 WeakPolarHBondContact CD1-O 3.44Å; E110-G112 PolarHBondContact O-N 3.28Å; E110-S113 WeakPolarHBondContact CB-OG 3.42Å; E110-S113 VanDerWaalsContact CG-OG 3.26Å; E110-S113 WeakPolarHBondContact CG-OG 3.41Å; E110-S113 PolarHBondContact O-N 3.12Å; E110-S113 PolarHBondContact O-OG 2.78Å; E110-S113 PolarHBondContact OE2-OG 2.88Å; E110-Y115 WeakPolarHBondContact CB-OH 3.42Å; E110-Y115 PolarHBondContact N-OH 3.22Å
111	E	90.8	Very high	90.7	Very high	92 Å²	92	58.7 Å²	58.7	43%	0.43	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	124.4	177	-59.7	-171.8	-161.6	0	0	110.8	Y56 E58 A96	Y56-E111 HydrophobicContact CE1-CB 4.36Å; Y56-E111 HydrophobicContact CE1-CG 3.75Å; E58-E111 HydrophobicContact CG-CB 3.86Å; E58-E111 WeakPolarHBondContact CG-OE2 3.49Å; A96-E111 HydrophobicContact CB-CG 3.84Å
112	G	90	Very high	90.7	Very high	22 Å²	22	54.3 Å²	54.3	23%	0.227	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.4	-9	-177.6	0	0	0	0	0	114.1	Y55 Y56 K73 E110	Y55-G112 WeakPolarHBondContact CE2-O 3.37Å; Y56-G112 WeakPolarHBondContact O-CA 3.49Å; Y56-G112 PolarHBondContact O-N 3.1Å; K73-G112 PolarHBondContact NZ-O 3.23Å; E110-G112 PolarHBondContact O-N 3.28Å
113	S	92.9	Very high	90.9	Very high	11 Å²	11	55 Å²	55	8%	0.077	30%	0.304	C	S	.	.			trans	-91.1	161.4	-176.3	-49.2	0	0	0	0	113.1	Y56 E110	Y56-S113 PolarHBondContact N-O 3.43Å; E110-S113 WeakPolarHBondContact CB-OG 3.42Å; E110-S113 VanDerWaalsContact CG-OG 3.26Å; E110-S113 WeakPolarHBondContact CG-OG 3.41Å; E110-S113 PolarHBondContact O-N 3.12Å; E110-S113 PolarHBondContact O-OG 2.78Å; E110-S113 PolarHBondContact OE2-OG 2.88Å
114	L	96.3	Very high	91.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.9	172.7	-80.9	167.6	0	0	0	109.3	L54 Y55 L77 F125 F129 L134	L54-L114 WeakPolarHBondContact O-CA 3.32Å; Y55-L114 HydrophobicContact CD2-CD2 4.05Å; Y55-L114 HydrophobicContact CD2-CG 4.25Å; Y55-L114 HydrophobicContact CG-CD2 4.29Å; L77-L114 HydrophobicContact CD2-CD2 3.97Å; L114-F125 HydrophobicContact CB-CB 3.96Å; L114-F125 HydrophobicContact CB-CD1 4.09Å; L114-F125 HydrophobicContact CB-CG 4.46Å; L114-F125 HydrophobicContact CD1-CD1 3.85Å; L114-F125 HydrophobicContact CD1-CE1 4.34Å; L114-F125 PolarHBondContact O-N 2.61Å; L114-F129 HydrophobicContact CD1-CD2 3.75Å; L114-F129 HydrophobicContact CD1-CE2 3.37Å; L114-F129 HydrophobicContact CD1-CZ 3.94Å; L114-F129 HydrophobicContact CD2-CE2 4.18Å; L114-F129 HydrophobicContact CD2-CZ 4.43Å; L114-F129 HydrophobicContact CG-CD2 4.32Å; L114-F129 HydrophobicContact CG-CE2 3.66Å; L114-F129 HydrophobicContact CG-CZ 4.35Å; L114-L134 HydrophobicContact CD1-CD1 3.94Å; L114-L134 HydrophobicContact CD1-CD2 3.51Å; L114-L134 HydrophobicContact CD1-CG 4.37Å
115	Y	96.1	Very high	91.4	Very high	6 Å²	6	50.1 Å²	50.1	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.9	172.9	-64.3	-80.2	0	0	0	110	L54 Y56 F108 D109 E110 T122 I123 E124	L54-Y115 VanDerWaalsContact CD1-O 3.31Å; L54-Y115 WeakPolarHBondContact CD1-O 3.4Å; L54-Y115 PolarHBondContact N-O 3.18Å; L54-Y115 PolarHBondContact O-N 2.99Å; Y56-Y115 HydrophobicContact CD1-CE2 4.14Å; Y56-Y115 HydrophobicContact CG-CE2 4.41Å; F108-Y115 HydrophobicContact CB-CD2 4.28Å; F108-Y115 HydrophobicContact CB-CE2 3.84Å; F108-Y115 AromaticContact CD1-CD1 3.94Å; F108-Y115 HydrophobicContact CD1-CD1 3.94Å; F108-Y115 AromaticContact CD1-CD2 3.47Å; F108-Y115 HydrophobicContact CD1-CD2 3.47Å; F108-Y115 VanDerWaalsContact CD1-CD2 3.47Å; F108-Y115 HydrophobicContact CD1-CE1 4.23Å; F108-Y115 AromaticContact CD1-CE2 3.78Å; F108-Y115 HydrophobicContact CD1-CE2 3.78Å; F108-Y115 AromaticContact CD1-CG 3.54Å; F108-Y115 HydrophobicContact CD1-CG 3.54Å; F108-Y115 HydrophobicContact CD2-CD2 4.37Å; F108-Y115 HydrophobicContact CE1-CD1 4.13Å; F108-Y115 AromaticContact CE1-CD2 3.8Å; F108-Y115 HydrophobicContact CE1-CD2 3.8Å; F108-Y115 AromaticContact CE1-CG 3.55Å; F108-Y115 HydrophobicContact CE1-CG 3.55Å; F108-Y115 AromaticContact CG-CD2 3.8Å; F108-Y115 HydrophobicContact CG-CD2 3.8Å; F108-Y115 AromaticContact CG-CE2 3.89Å; F108-Y115 HydrophobicContact CG-CE2 3.89Å; F108-Y115 HydrophobicContact CG-CG 4.34Å; F108-Y115 HydrophobicContact CZ-CD2 4.37Å; F108-Y115 HydrophobicContact CZ-CG 4.33Å; D109-Y115 PolarHBondContact OD1-OH 3.5Å; E110-Y115 WeakPolarHBondContact CB-OH 3.42Å; E110-Y115 PolarHBondContact N-OH 3.22Å; Y115-T122 HydrophobicContact CD1-CG2 3.84Å; Y115-T122 HydrophobicContact CG-CG2 4.36Å; Y115-I123 CarbonylContact C-O 3.56Å; Y115-I123 WeakPolarHBondContact CA-O 3.48Å; Y115-E124 HydrophobicContact CD1-CB 4.16Å; Y115-E124 HydrophobicContact CD1-CG 4.37Å; Y115-E124 HydrophobicContact CE1-CB 4.01Å; Y115-E124 HydrophobicContact CE1-CG 3.9Å; Y115-E124 WeakPolarHBondContact CE1-OE1 3.28Å; Y115-E124 PolarHBondContact OH-OE1 3.06Å
116	V	96.4	Very high	91.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.3	172.4	180	0	0	0	0	110.4	L51 L52 C53 T122 I123 F137 L138 L141	L51-V116 HydrophobicContact CD1-CG1 3.74Å; L51-V116 HydrophobicContact CD2-CG1 3.41Å; L51-V116 VanDerWaalsContact CD2-CG1 3.41Å; L51-V116 HydrophobicContact CG-CG1 3.46Å; L51-V116 VanDerWaalsContact CG-CG1 3.46Å; L52-V116 CarbonylContact O-C 3.56Å; L52-V116 VanDerWaalsContact O-CA 3.26Å; L52-V116 WeakPolarHBondContact O-CA 3.46Å; C53-V116 HydrophobicContact CB-CG2 4.41Å; V116-T122 CarbonylContact O-C 3.36Å; V116-T122 WeakPolarHBondContact O-CA 3.29Å; V116-I123 HydrophobicContact CB-CB 4.44Å; V116-I123 PolarHBondContact N-O 3.11Å; V116-I123 PolarHBondContact O-N 3.1Å; V116-F137 HydrophobicContact CG2-CE1 3.92Å; V116-L138 HydrophobicContact CG2-CD2 3.91Å; V116-L141 HydrophobicContact CB-CD2 3.94Å; V116-L141 HydrophobicContact CG1-CD2 3.5Å; V116-L141 VanDerWaalsContact CG1-CD2 3.5Å; V116-L141 HydrophobicContact CG2-CD2 4.31Å
117	L	95	Very high	92.1	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.5	171.3	-57.9	174.2	0	0	0	109.3	F42 L46 L51 L52 L54 L106 R121 T122	F42-L117 HydrophobicContact CE2-CD1 4.34Å; L46-L117 HydrophobicContact CD1-CD1 4.5Å; L51-L117 WeakPolarHBondContact CA-O 3.46Å; L52-L117 HydrophobicContact CB-CB 4.28Å; L52-L117 HydrophobicContact CD1-CD1 4.42Å; L52-L117 PolarHBondContact N-O 3.41Å; L52-L117 PolarHBondContact O-N 2.77Å; L54-L117 HydrophobicContact CD1-CB 4.26Å; L54-L117 HydrophobicContact CD1-CD1 3.73Å; L54-L117 HydrophobicContact CD1-CG 3.53Å; L54-L117 HydrophobicContact CD2-CD1 4.22Å; L106-L117 HydrophobicContact CD2-CD1 4.38Å; L117-R121 WeakPolarHBondContact CA-O 3.38Å; L117-T122 HydrophobicContact CD2-CG2 4.01Å; L117-T122 WeakPolarHBondContact CD2-OG1 3.23Å
118	K	92.8	Very high	92.5	Very high	37 Å²	37	43.9 Å²	43.9	16%	0.161	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	107.8	174.2	-175.4	-178.9	178.1	-178.3	0	108.1	L51 D120 R121 L141 E143	L51-K118 HydrophobicContact CD1-CB 4.43Å; K118-D120 PolarHBondContact O-N 2.8Å; K118-R121 PolarHBondContact N-O 3.28Å; K118-R121 WeakPolarHBondContact O-CB 3.32Å; K118-R121 PolarHBondContact O-N 3.48Å; K118-L141 HydrophobicContact CD-CD1 3.98Å; K118-L141 HydrophobicContact CD-CG 4.27Å; K118-L141 WeakPolarHBondContact CE-O 3.23Å; K118-L141 PolarHBondContact NZ-O 3.03Å; K118-E143 PolarHBondContact NZ-O 3.43Å
119	G	87.6	Confident	92.9	Very high	71 Å²	71	45.7 Å²	45.7	73%	0.732	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-117.6	-173.4	0	0	0	0	0	112.2
120	D	86.7	Confident	93.5	Very high	154 Å²	154	40.1 Å²	40.1	82%	0.824	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.2	174	61	-23	0	0	0	113.7	K118	K118-D120 PolarHBondContact O-N 2.8Å
121	R	89.1	Confident	93.8	Very high	39 Å²	39	37.6 Å²	37.6	15%	0.147	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	144.6	176.7	-65.2	-178.5	-81.5	142.6	-5.9	111.8	L117 K118 E187 Q190	L117-R121 WeakPolarHBondContact CA-O 3.38Å; K118-R121 PolarHBondContact N-O 3.28Å; K118-R121 WeakPolarHBondContact O-CB 3.32Å; K118-R121 PolarHBondContact O-N 3.48Å; R121-E187 WeakPolarHBondContact CD-O 3.41Å; R121-E187 IonicContact CZ-OE2 2.82Å; R121-E187 IonicContact NE-OE2 2.64Å; R121-E187 PolarHBondContact NE-OE2 3.13Å; R121-E187 PolarHBondContact NH1-O 3.35Å; R121-E187 IonicContact NH2-OE1 3.23Å; R121-E187 IonicContact NH2-OE2 3.2Å; R121-E187 PolarHBondContact NH2-OE2 3.17Å; R121-Q190 VanDerWaalsContact NH1-OE1 3.14Å
122	T	92.9	Very high	94	Very high	66 Å²	66	38.8 Å²	38.8	41%	0.405	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.4	167.1	-56.3	0	0	0	0	106.9	F108 Y115 V116 L117	F108-T122 HydrophobicContact CE1-CG2 4.1Å; Y115-T122 HydrophobicContact CD1-CG2 3.84Å; Y115-T122 HydrophobicContact CG-CG2 4.36Å; V116-T122 CarbonylContact O-C 3.36Å; V116-T122 WeakPolarHBondContact O-CA 3.29Å; L117-T122 HydrophobicContact CD2-CG2 4.01Å; L117-T122 WeakPolarHBondContact CD2-OG1 3.23Å
123	I	94.3	Very high	94.4	Very high	18 Å²	18	38.4 Å²	38.4	9%	0.092	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.6	177.7	-62	157.4	0	0	0	106.8	Y115 V116 F137 L141 Y192	Y115-I123 CarbonylContact C-O 3.56Å; Y115-I123 WeakPolarHBondContact CA-O 3.48Å; V116-I123 HydrophobicContact CB-CB 4.44Å; V116-I123 PolarHBondContact N-O 3.11Å; V116-I123 PolarHBondContact O-N 3.1Å; I123-F137 HydrophobicContact CG2-CZ 4.04Å; I123-L141 HydrophobicContact CD1-CD1 3.4Å; I123-L141 VanDerWaalsContact CD1-CD1 3.4Å; I123-L141 HydrophobicContact CD1-CD2 3.77Å; I123-L141 HydrophobicContact CD1-CG 4.19Å; I123-Y192 HydrophobicContact CG2-CE2 4.33Å
124	E	94.7	Very high	94.6	Very high	70 Å²	70	38 Å²	38	33%	0.327	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.1	172.1	-173.8	150.9	-131.1	0	0	108.9	Y115 Y192	Y115-E124 HydrophobicContact CD1-CB 4.16Å; Y115-E124 HydrophobicContact CD1-CG 4.37Å; Y115-E124 HydrophobicContact CE1-CB 4.01Å; Y115-E124 HydrophobicContact CE1-CG 3.9Å; Y115-E124 WeakPolarHBondContact CE1-OE1 3.28Å; Y115-E124 PolarHBondContact OH-OE1 3.06Å; E124-Y192 PolarHBondContact O-OH 3.44Å
125	F	96.4	Very high	94.7	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.6	172.2	172.8	-95.3	0	0	0	107.7	L114 G127 E128 V133 L134 F137 E255	L114-F125 HydrophobicContact CB-CB 3.96Å; L114-F125 HydrophobicContact CB-CD1 4.09Å; L114-F125 HydrophobicContact CB-CG 4.46Å; L114-F125 HydrophobicContact CD1-CD1 3.85Å; L114-F125 HydrophobicContact CD1-CE1 4.34Å; L114-F125 PolarHBondContact O-N 2.61Å; F125-G127 WeakPolarHBondContact CE1-O 3.14Å; F125-E128 WeakPolarHBondContact CZ-O 3.4Å; F125-V133 HydrophobicContact CE2-CG1 4.26Å; F125-V133 HydrophobicContact CZ-CG1 3.87Å; F125-L134 HydrophobicContact CD1-CD2 3.72Å; F125-L134 HydrophobicContact CD2-CD2 4.39Å; F125-L134 HydrophobicContact CE1-CD2 3.48Å; F125-L134 VanDerWaalsContact CE1-CD2 3.48Å; F125-L134 HydrophobicContact CE1-CG 4.38Å; F125-L134 HydrophobicContact CE2-CD2 4.18Å; F125-L134 HydrophobicContact CG-CD2 4.17Å; F125-L134 HydrophobicContact CZ-CD2 3.72Å; F125-L134 HydrophobicContact CZ-CG 4.47Å; F125-F137 HydrophobicContact CB-CE1 4.11Å; F125-F137 HydrophobicContact CB-CZ 4.23Å; F125-F137 HydrophobicContact CD2-CB 4.36Å; F125-F137 AromaticContact CD2-CD1 3.71Å; F125-F137 HydrophobicContact CD2-CD1 3.71Å; F125-F137 AromaticContact CD2-CD2 3.76Å; F125-F137 HydrophobicContact CD2-CD2 3.76Å; F125-F137 AromaticContact CD2-CE1 3.84Å; F125-F137 HydrophobicContact CD2-CE1 3.84Å; F125-F137 AromaticContact CD2-CE2 3.89Å; F125-F137 HydrophobicContact CD2-CE2 3.89Å; F125-F137 AromaticContact CD2-CG 3.67Å; F125-F137 HydrophobicContact CD2-CG 3.67Å; F125-F137 AromaticContact CD2-CZ 3.94Å; F125-F137 HydrophobicContact CD2-CZ 3.94Å; F125-F137 HydrophobicContact CE2-CB 4.09Å; F125-F137 HydrophobicContact CE2-CD1 4.27Å; F125-F137 HydrophobicContact CE2-CD2 4.07Å; F125-F137 AromaticContact CE2-CG 3.88Å; F125-F137 HydrophobicContact CE2-CG 3.88Å; F125-F137 HydrophobicContact CG-CD1 4.45Å; F125-F137 HydrophobicContact CG-CE1 4.34Å; F125-E255 HydrophobicContact CE2-CB 4.31Å; F125-E255 WeakPolarHBondContact CE2-O 3.36Å
126	D	95.2	Very high	94.8	Very high	26 Å²	26	44.6 Å²	44.6	14%	0.139	25%	0.25	C	S	.	.			trans	-118.3	51.6	-176.5	-161.2	25.5	0	0	0	111.1	E256 M257 F258 E259	D126-E256 CarbonylContact O-C 3.59Å; D126-M257 PolarHBondContact O-N 3.32Å; D126-F258 VanDerWaalsContact CG-CB 3.49Å; D126-F258 WeakPolarHBondContact O-CB 3.24Å; D126-F258 PolarHBondContact O-N 2.93Å; D126-F258 VanDerWaalsContact O-N 3.1Å; D126-F258 WeakPolarHBondContact OD1-CB 3.35Å; D126-E259 HydrophobicContact CB-CB 4.21Å; D126-E259 VanDerWaalsContact OD2-CA 3.31Å; D126-E259 WeakPolarHBondContact OD2-CA 3.44Å; D126-E259 PolarHBondContact OD2-N 3.42Å
127	G	96.8	Very high	94.8	Very high	7 Å²	7	44.9 Å²	44.9	7%	0.072	25%	0.251	C	S	.	.	S	Bend	trans	-126.5	-173.2	-178.8	0	0	0	0	0	113.1	F125 F129 P254 E255 F258	F125-G127 WeakPolarHBondContact CE1-O 3.14Å; G127-F129 PolarHBondContact O-N 2.97Å; G127-P254 CarbonylContact C-O 3.58Å; G127-P254 WeakPolarHBondContact CA-O 3.29Å; G127-E255 WeakPolarHBondContact CA-O 3.49Å; G127-F258 VanDerWaalsContact O-CE2 3.32Å; G127-F258 WeakPolarHBondContact O-CE2 3.26Å
128	E	97.3	Very high	95	Very high	58 Å²	58	44.1 Å²	44.1	27%	0.271	25%	0.247	S	C	.	.			trans	-60.8	128.7	179.4	-169.4	-178.2	172	0	0	111.3	F125 A130 V133 P254 M257	F125-E128 WeakPolarHBondContact CZ-O 3.4Å; E128-A130 HydrophobicContact CG-CB 3.96Å; E128-A130 PolarHBondContact O-N 2.88Å; E128-V133 HydrophobicContact CB-CG2 4.33Å; E128-P254 HydrophobicContact CB-CB 4.37Å; E128-P254 PolarHBondContact N-O 3Å; E128-M257 HydrophobicContact CB-SD 3.81Å; E128-M257 HydrophobicContact CG-SD 4.49Å
129	F	95.9	Very high	95.2	Very high	49 Å²	49	45 Å²	45	22%	0.215	25%	0.254	C	S	.	.			trans	-78.3	64.1	175.9	-151.7	-71.5	0	0	0	111.4	Y55 K73 V76 L77 L114 G127 L134	Y55-F129 AromaticContact CD2-CE2 3.82Å; Y55-F129 HydrophobicContact CD2-CE2 3.82Å; Y55-F129 HydrophobicContact CD2-CZ 4.19Å; Y55-F129 AromaticContact CE2-CE2 3.89Å; Y55-F129 HydrophobicContact CE2-CE2 3.89Å; Y55-F129 HydrophobicContact CE2-CZ 4.38Å; K73-F129 HydrophobicContact CB-CD1 4.26Å; K73-F129 HydrophobicContact CB-CE1 3.62Å; K73-F129 HydrophobicContact CB-CE2 4.45Å; K73-F129 HydrophobicContact CB-CZ 3.73Å; K73-F129 HydrophobicContact CD-CD2 4.3Å; K73-F129 HydrophobicContact CD-CE1 4.47Å; K73-F129 HydrophobicContact CD-CE2 4.07Å; K73-F129 HydrophobicContact CD-CZ 4.18Å; K73-F129 HydrophobicContact CG-CD1 3.94Å; K73-F129 HydrophobicContact CG-CD2 4.46Å; K73-F129 HydrophobicContact CG-CE1 3.8Å; K73-F129 HydrophobicContact CG-CE2 4.28Å; K73-F129 HydrophobicContact CG-CG 4.29Å; K73-F129 HydrophobicContact CG-CZ 3.97Å; K73-F129 WeakPolarHBondContact O-CE1 3.33Å; V76-F129 HydrophobicContact CB-CD1 4.16Å; V76-F129 HydrophobicContact CB-CE1 3.97Å; V76-F129 HydrophobicContact CG1-CD1 3.85Å; V76-F129 HydrophobicContact CG1-CE1 3.84Å; L77-F129 HydrophobicContact CD1-CZ 4.06Å; L77-F129 HydrophobicContact CD2-CE1 4.44Å; L77-F129 HydrophobicContact CD2-CZ 4.08Å; L77-F129 HydrophobicContact CG-CE1 4.14Å; L77-F129 HydrophobicContact CG-CZ 3.89Å; L114-F129 HydrophobicContact CD1-CD2 3.75Å; L114-F129 HydrophobicContact CD1-CE2 3.37Å; L114-F129 HydrophobicContact CD1-CZ 3.94Å; L114-F129 HydrophobicContact CD2-CE2 4.18Å; L114-F129 HydrophobicContact CD2-CZ 4.43Å; L114-F129 HydrophobicContact CG-CD2 4.32Å; L114-F129 HydrophobicContact CG-CE2 3.66Å; L114-F129 HydrophobicContact CG-CZ 4.35Å; G127-F129 PolarHBondContact O-N 2.97Å; F129-L134 HydrophobicContact CE1-CD1 4.47Å
130	A	96.2	Very high	95.6	Very high	14 Å²	14	44.2 Å²	44.2	12%	0.116	23%	0.232	C	C	.	.			trans	-121.6	151.2	179.7	0	0	0	0	0	111.3	E128 D132 V133 L134	E128-A130 HydrophobicContact CG-CB 3.96Å; E128-A130 PolarHBondContact O-N 2.88Å; A130-D132 VanDerWaalsContact CB-OD1 3.28Å; A130-D132 WeakPolarHBondContact CB-OD1 3.49Å; A130-V133 HydrophobicContact CB-CB 4.33Å; A130-V133 HydrophobicContact CB-CG2 4.04Å; A130-L134 WeakPolarHBondContact O-CB 3.35Å; A130-L134 VanDerWaalsContact O-CG 3.24Å; A130-L134 WeakPolarHBondContact O-CG 3.21Å; A130-L134 PolarHBondContact O-N 2.89Å
131	A	96.1	Very high	96	Very high	22 Å²	22	36.9 Å²	36.9	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-71.9	-38.4	-170.7	0	0	0	0	0	113	V76 L79 V80 V135	V76-A131 HydrophobicContact CG1-CB 4.19Å; L79-A131 HydrophobicContact CD2-CB 3.91Å; L79-A131 HydrophobicContact CG-CB 4.37Å; V80-A131 HydrophobicContact CG2-CB 3.91Å; A131-V135 VanDerWaalsContact O-CB 3.3Å; A131-V135 WeakPolarHBondContact O-CB 3.31Å; A131-V135 WeakPolarHBondContact O-CG2 3.18Å; A131-V135 PolarHBondContact O-N 3.18Å
132	D	95.8	Very high	96.2	Very high	116 Å²	116	38 Å²	38	62%	0.62	20%	0.202	S	C	*	.	H	α-helix	trans	-63	-51.3	172.6	44.6	-6.6	0	0	0	111.7	A130 L134 V135 E136	A130-D132 VanDerWaalsContact CB-OD1 3.28Å; A130-D132 WeakPolarHBondContact CB-OD1 3.49Å; D132-L134 PolarHBondContact O-N 3.24Å; D132-V135 PolarHBondContact O-N 3.45Å; D132-V135 VanDerWaalsContact O-N 3.14Å; D132-E136 PolarHBondContact O-N 2.83Å
133	V	97.9	Very high	96.3	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.085	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-47.9	177.8	-179.2	0	0	0	0	111.2	F125 E128 A130 V135 E136 F137 P254 E255	F125-V133 HydrophobicContact CE2-CG1 4.26Å; F125-V133 HydrophobicContact CZ-CG1 3.87Å; E128-V133 HydrophobicContact CB-CG2 4.33Å; A130-V133 HydrophobicContact CB-CB 4.33Å; A130-V133 HydrophobicContact CB-CG2 4.04Å; V133-V135 PolarHBondContact O-N 2.84Å; V133-E136 PolarHBondContact O-N 3.05Å; V133-F137 WeakPolarHBondContact O-CB 3.41Å; V133-F137 PolarHBondContact O-N 3.04Å; V133-P254 HydrophobicContact CG1-CB 4.07Å; V133-P254 HydrophobicContact CG2-CB 3.72Å; V133-E255 HydrophobicContact CG1-CB 4.27Å
134	L	98.1	Very high	96.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-35.2	177.6	-71.4	172.7	0	0	0	113.2	V76 L77 V80 L114 F125 F129 A130 D132 L138	V76-L134 HydrophobicContact CG1-CD1 3.97Å; L77-L134 HydrophobicContact CD2-CD1 4.27Å; V80-L134 HydrophobicContact CG1-CB 4.3Å; V80-L134 HydrophobicContact CG2-CB 3.91Å; V80-L134 HydrophobicContact CG2-CD1 4.23Å; L114-L134 HydrophobicContact CD1-CD1 3.94Å; L114-L134 HydrophobicContact CD1-CD2 3.51Å; L114-L134 HydrophobicContact CD1-CG 4.37Å; F125-L134 HydrophobicContact CD1-CD2 3.72Å; F125-L134 HydrophobicContact CD2-CD2 4.39Å; F125-L134 HydrophobicContact CE1-CD2 3.48Å; F125-L134 VanDerWaalsContact CE1-CD2 3.48Å; F125-L134 HydrophobicContact CE1-CG 4.38Å; F125-L134 HydrophobicContact CE2-CD2 4.18Å; F125-L134 HydrophobicContact CG-CD2 4.17Å; F125-L134 HydrophobicContact CZ-CD2 3.72Å; F125-L134 HydrophobicContact CZ-CG 4.47Å; F129-L134 HydrophobicContact CE1-CD1 4.47Å; A130-L134 WeakPolarHBondContact O-CB 3.35Å; A130-L134 VanDerWaalsContact O-CG 3.24Å; A130-L134 WeakPolarHBondContact O-CG 3.21Å; A130-L134 PolarHBondContact O-N 2.89Å; D132-L134 PolarHBondContact O-N 3.24Å; L134-L138 VanDerWaalsContact O-CB 3.25Å; L134-L138 WeakPolarHBondContact O-CB 3.09Å; L134-L138 WeakPolarHBondContact O-CD1 3.34Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.22Å
135	V	97.4	Very high	96.4	Very high	26 Å²	26	43.5 Å²	43.5	16%	0.158	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-45.8	175.4	163.4	0	0	0	0	110.1	V80 V83 L84 A131 D132 V133 L139	V80-V135 HydrophobicContact CB-CG2 4.39Å; V80-V135 HydrophobicContact CG1-CG2 3.93Å; V80-V135 HydrophobicContact CG2-CG2 4.29Å; V83-V135 HydrophobicContact CB-CG2 4.18Å; V83-V135 HydrophobicContact CG1-CG1 4.19Å; V83-V135 HydrophobicContact CG1-CG2 3.97Å; L84-V135 HydrophobicContact CD1-CG2 4.29Å; L84-V135 HydrophobicContact CD2-CG1 4.35Å; L84-V135 HydrophobicContact CG-CG2 4.31Å; A131-V135 VanDerWaalsContact O-CB 3.3Å; A131-V135 WeakPolarHBondContact O-CB 3.31Å; A131-V135 WeakPolarHBondContact O-CG2 3.18Å; A131-V135 PolarHBondContact O-N 3.18Å; D132-V135 PolarHBondContact O-N 3.45Å; D132-V135 VanDerWaalsContact O-N 3.14Å; V133-V135 PolarHBondContact O-N 2.84Å; V135-L139 HydrophobicContact CG1-CD1 3.81Å; V135-L139 HydrophobicContact CG1-CG 4.42Å; V135-L139 WeakPolarHBondContact O-CB 3.19Å; V135-L139 WeakPolarHBondContact O-CG 3.43Å; V135-L139 PolarHBondContact O-N 2.64Å
136	E	97.3	Very high	96.5	Very high	122 Å²	122	43.3 Å²	43.3	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-61.7	-54.6	177.8	-176.7	163	-175.9	0	0	111.3	D132 V133 L138 L139 D140	D132-E136 PolarHBondContact O-N 2.83Å; V133-E136 PolarHBondContact O-N 3.05Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 2.88Å; E136-L139 WeakPolarHBondContact O-CB 3.39Å; E136-L139 PolarHBondContact O-N 3.44Å; E136-D140 PolarHBondContact O-N 2.82Å
137	F	98.1	Very high	96.7	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-52.1	-47.1	177.1	174.8	-99.8	0	0	0	112.9	V116 I123 F125 V133 L139 D140 L141 P191 Y192	V116-F137 HydrophobicContact CG2-CE1 3.92Å; I123-F137 HydrophobicContact CG2-CZ 4.04Å; F125-F137 HydrophobicContact CB-CE1 4.11Å; F125-F137 HydrophobicContact CB-CZ 4.23Å; F125-F137 HydrophobicContact CD2-CB 4.36Å; F125-F137 AromaticContact CD2-CD1 3.71Å; F125-F137 HydrophobicContact CD2-CD1 3.71Å; F125-F137 AromaticContact CD2-CD2 3.76Å; F125-F137 HydrophobicContact CD2-CD2 3.76Å; F125-F137 AromaticContact CD2-CE1 3.84Å; F125-F137 HydrophobicContact CD2-CE1 3.84Å; F125-F137 AromaticContact CD2-CE2 3.89Å; F125-F137 HydrophobicContact CD2-CE2 3.89Å; F125-F137 AromaticContact CD2-CG 3.67Å; F125-F137 HydrophobicContact CD2-CG 3.67Å; F125-F137 AromaticContact CD2-CZ 3.94Å; F125-F137 HydrophobicContact CD2-CZ 3.94Å; F125-F137 HydrophobicContact CE2-CB 4.09Å; F125-F137 HydrophobicContact CE2-CD1 4.27Å; F125-F137 HydrophobicContact CE2-CD2 4.07Å; F125-F137 AromaticContact CE2-CG 3.88Å; F125-F137 HydrophobicContact CE2-CG 3.88Å; F125-F137 HydrophobicContact CG-CD1 4.45Å; F125-F137 HydrophobicContact CG-CE1 4.34Å; V133-F137 WeakPolarHBondContact O-CB 3.41Å; V133-F137 PolarHBondContact O-N 3.04Å; F137-L139 VanDerWaalsContact C-N 3.35Å; F137-D140 PolarHBondContact O-N 3.04Å; F137-L141 HydrophobicContact CE1-CD2 3.99Å; F137-L141 HydrophobicContact CZ-CD2 4.13Å; F137-L141 VanDerWaalsContact O-CB 3.23Å; F137-L141 WeakPolarHBondContact O-CB 3.23Å; F137-L141 PolarHBondContact O-N 3.39Å; F137-P191 HydrophobicContact CD2-CG 3.49Å; F137-P191 VanDerWaalsContact CD2-CG 3.49Å; F137-P191 HydrophobicContact CE2-CG 3.34Å; F137-P191 HydrophobicContact CG-CG 4.46Å; F137-P191 HydrophobicContact CZ-CG 4.22Å; F137-Y192 HydrophobicContact CD2-CE1 4.27Å; F137-Y192 AromaticContact CE2-CE1 3.76Å; F137-Y192 HydrophobicContact CE2-CE1 3.76Å; F137-Y192 HydrophobicContact CE2-CE2 4.31Å; F137-Y192 AromaticContact CE2-CZ 3.56Å; F137-Y192 VanDerWaalsContact CE2-OH 3.32Å; F137-Y192 WeakPolarHBondContact CE2-OH 3.48Å
138	L	97.8	Very high	96.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-71.7	-28.7	-180	-70.4	173.4	0	0	0	113	L51 C53 V80 L84 I89 F91 V116 L134 E136 I142	L51-L138 HydrophobicContact CD2-CD2 3.75Å; C53-L138 HydrophobicContact CB-CD1 4.37Å; C53-L138 HydrophobicContact CB-CD2 4.26Å; V80-L138 HydrophobicContact CG1-CD1 3.94Å; L84-L138 HydrophobicContact CD1-CB 3.83Å; L84-L138 HydrophobicContact CD1-CD1 3.83Å; I89-L138 HydrophobicContact CD1-CB 4.26Å; F91-L138 HydrophobicContact CE1-CD1 3.5Å; F91-L138 HydrophobicContact CZ-CD1 3.56Å; V116-L138 HydrophobicContact CG2-CD2 3.91Å; L134-L138 VanDerWaalsContact O-CB 3.25Å; L134-L138 WeakPolarHBondContact O-CB 3.09Å; L134-L138 WeakPolarHBondContact O-CD1 3.34Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.22Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 2.88Å; L138-I142 WeakPolarHBondContact O-CG2 3.16Å; L138-I142 PolarHBondContact O-N 3.11Å
139	L	96.9	Very high	96.8	Very high	56 Å²	56	47.1 Å²	47.1	29%	0.293	25%	0.245	S	C	.	.	H	α-helix	trans	-71.2	-44.9	174.2	-76.3	174.1	0	0	0	110.8	L84 V135 E136 F137 L141 I142 E143	L84-L139 HydrophobicContact CD2-CD1 4.45Å; L84-L139 HydrophobicContact CD2-CD2 3.73Å; L84-L139 HydrophobicContact CD2-CG 3.98Å; V135-L139 HydrophobicContact CG1-CD1 3.81Å; V135-L139 HydrophobicContact CG1-CG 4.42Å; V135-L139 WeakPolarHBondContact O-CB 3.19Å; V135-L139 WeakPolarHBondContact O-CG 3.43Å; V135-L139 PolarHBondContact O-N 2.64Å; E136-L139 WeakPolarHBondContact O-CB 3.39Å; E136-L139 PolarHBondContact O-N 3.44Å; F137-L139 VanDerWaalsContact C-N 3.35Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.01Å; L139-I142 HydrophobicContact CD2-CD1 4.04Å; L139-I142 WeakPolarHBondContact O-CG1 3.45Å; L139-I142 PolarHBondContact O-N 2.83Å; L139-E143 WeakPolarHBondContact O-CG 3.37Å
140	D	96.1	Very high	96.9	Very high	53 Å²	53	48.3 Å²	48.3	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-42.1	173.5	-84.4	21.9	0	0	0	110.9	E136 F137 I142 E143 P191 K194	E136-D140 PolarHBondContact O-N 2.82Å; F137-D140 PolarHBondContact O-N 3.04Å; D140-I142 VanDerWaalsContact C-N 3.31Å; D140-I142 PolarHBondContact O-N 2.74Å; D140-E143 WeakPolarHBondContact O-CB 3.25Å; D140-E143 PolarHBondContact O-N 2.9Å; D140-E143 VanDerWaalsContact O-N 3.1Å; D140-P191 HydrophobicContact CB-CB 3.73Å; D140-P191 HydrophobicContact CB-CG 4.41Å; D140-K194 IonicContact OD2-NZ 3.7Å; D140-K194 PolarHBondContact OD2-NZ 2.74Å
141	L	95.6	Very high	96.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.6	-22.5	-177.4	-175.1	55.8	0	0	0	113.8	L51 V116 K118 I123 F137 L139 E143 Q190 P191	L51-L141 HydrophobicContact CD1-CD2 3.99Å; L51-L141 HydrophobicContact CD1-CG 3.91Å; V116-L141 HydrophobicContact CB-CD2 3.94Å; V116-L141 HydrophobicContact CG1-CD2 3.5Å; V116-L141 VanDerWaalsContact CG1-CD2 3.5Å; V116-L141 HydrophobicContact CG2-CD2 4.31Å; K118-L141 HydrophobicContact CD-CD1 3.98Å; K118-L141 HydrophobicContact CD-CG 4.27Å; K118-L141 WeakPolarHBondContact CE-O 3.23Å; K118-L141 PolarHBondContact NZ-O 3.03Å; I123-L141 HydrophobicContact CD1-CD1 3.4Å; I123-L141 VanDerWaalsContact CD1-CD1 3.4Å; I123-L141 HydrophobicContact CD1-CD2 3.77Å; I123-L141 HydrophobicContact CD1-CG 4.19Å; F137-L141 HydrophobicContact CE1-CD2 3.99Å; F137-L141 HydrophobicContact CZ-CD2 4.13Å; F137-L141 VanDerWaalsContact O-CB 3.23Å; F137-L141 WeakPolarHBondContact O-CB 3.23Å; F137-L141 PolarHBondContact O-N 3.39Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.01Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-Q190 HydrophobicContact CD1-CB 3.84Å; L141-P191 HydrophobicContact CB-CG 4.44Å
142	I	93.9	Very high	96.6	Very high	63 Å²	63	54.9 Å²	54.9	32%	0.323	29%	0.286	S	S	.	.	H	α-helix	trans	-80.9	-12.2	172.5	59.5	165.9	0	0	0	113.1	L51 K87 I89 L138 L139 D140	L51-I142 HydrophobicContact CD1-CG2 4.01Å; K87-I142 HydrophobicContact CD-CD1 3.85Å; K87-I142 HydrophobicContact CG-CD1 4.44Å; I89-I142 HydrophobicContact CD1-CG2 3.9Å; I89-I142 HydrophobicContact CG1-CG2 4.19Å; L138-I142 WeakPolarHBondContact O-CG2 3.16Å; L138-I142 PolarHBondContact O-N 3.11Å; L139-I142 HydrophobicContact CD2-CD1 4.04Å; L139-I142 WeakPolarHBondContact O-CG1 3.45Å; L139-I142 PolarHBondContact O-N 2.83Å; D140-I142 VanDerWaalsContact C-N 3.31Å; D140-I142 PolarHBondContact O-N 2.74Å
143	E	94.5	Very high	96.5	Very high	114 Å²	114	55.5 Å²	55.5	53%	0.533	29%	0.288	S	S	.	.	S	Bend	trans	-72.1	165.1	175.6	-52.4	-153.8	150.9	0	0	111.4	K118 L139 D140 L141 Q190	K118-E143 PolarHBondContact NZ-O 3.43Å; L139-E143 WeakPolarHBondContact O-CG 3.37Å; D140-E143 WeakPolarHBondContact O-CB 3.25Å; D140-E143 PolarHBondContact O-N 2.9Å; D140-E143 VanDerWaalsContact O-N 3.1Å; L141-E143 VanDerWaalsContact C-N 3.31Å; E143-Q190 PolarHBondContact O-NE2 2.91Å; E143-Q190 VanDerWaalsContact O-NE2 3.12Å
144	D	95.6	Very high	96.5	Very high	135 Å²	135	58.3 Å²	58.3	72%	0.722	30%	0.3	S	S	*	.			trans	-64.4	142.4	176.5	-68.7	-27.5	0	0	0	109.2	V146	D144-V146 PolarHBondContact O-N 2.88Å
145	P	96.5	Very high	96.5	Very high	20 Å²	20	58.2 Å²	58.2	13%	0.13	30%	0.3	C	S	.	.	S	Bend	trans	-65.4	-19.4	-176.7	27.5	-36	0	0	0	114	E183 A186 E187 Q190	P145-E183 HydrophobicContact CG-CG 3.97Å; P145-A186 HydrophobicContact CB-CB 3.89Å; P145-E187 HydrophobicContact CB-CG 3.97Å; P145-E187 HydrophobicContact CG-CG 3.91Å; P145-Q190 VanDerWaalsContact CB-CD 3.46Å; P145-Q190 HydrophobicContact CB-CG 3.83Å
146	V	98.6	Very high	96.4	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.5	-178.2	-175.7	0	0	0	0	110.5	D144 I148 Y179 F182 E183 A186 F195 A197	D144-V146 PolarHBondContact O-N 2.88Å; V146-I148 HydrophobicContact CG1-CD1 4.3Å; V146-Y179 HydrophobicContact CG1-CE2 4.1Å; V146-F182 HydrophobicContact CG1-CD1 4.27Å; V146-F182 HydrophobicContact CG1-CE1 3.84Å; V146-F182 HydrophobicContact CG2-CD1 4.13Å; V146-F182 HydrophobicContact CG2-CE1 4.14Å; V146-E183 HydrophobicContact CG2-CB 4.16Å; V146-E183 HydrophobicContact CG2-CG 4.25Å; V146-A186 HydrophobicContact CG2-CB 3.63Å; V146-F195 WeakPolarHBondContact CA-O 3.02Å; V146-F195 HydrophobicContact CG2-CB 4.13Å; V146-A197 HydrophobicContact CG1-CB 3.57Å
147	E	98.4	Very high	96.3	Very high	98 Å²	98	58.4 Å²	58.4	46%	0.458	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.8	174	-72.3	-175	-122.3	0	0	111.7	F195 F196 A197	E147-F195 PolarHBondContact N-O 3.06Å; E147-F196 HydrophobicContact CB-CD1 3.58Å; E147-F196 HydrophobicContact CB-CE1 3.71Å; E147-F196 HydrophobicContact CB-CG 4.49Å; E147-F196 HydrophobicContact CG-CE1 4.24Å; E147-F196 CarbonylContact O-C 3.56Å; E147-F196 VanDerWaalsContact O-CA 3.26Å; E147-F196 WeakPolarHBondContact O-CA 3.09Å; E147-A197 PolarHBondContact O-N 2.84Å
148	I	98.5	Very high	96.3	Very high	65 Å²	65	58.3 Å²	58.3	33%	0.333	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.9	-178.1	-53.1	-55.2	0	0	0	111.7	V146 Y179 A197 F199	V146-I148 HydrophobicContact CG1-CD1 4.3Å; I148-Y179 HydrophobicContact CD1-CE2 4.03Å; I148-A197 CarbonylContact C-O 3.55Å; I148-A197 WeakPolarHBondContact CA-O 3.21Å; I148-A197 HydrophobicContact CD1-CB 3.92Å; I148-F199 HydrophobicContact CD1-CE2 3.83Å; I148-F199 HydrophobicContact CD1-CZ 3.91Å; I148-F199 HydrophobicContact CG1-CE2 4.32Å; I148-F199 HydrophobicContact CG2-CD2 4.16Å; I148-F199 HydrophobicContact CG2-CE2 3.98Å
149	I	98.5	Very high	96.2	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.036	33%	0.329	C	S	.	.			trans	-91	109	173	-55	-170.4	0	0	0	109.9	E154 V155 F158 I168 F196 A197 T198 V203	I149-E154 HydrophobicContact CG2-CB 3.8Å; I149-V155 HydrophobicContact CG2-CG2 3.74Å; I149-F158 HydrophobicContact CD1-CB 3.5Å; I149-F158 HydrophobicContact CD1-CD2 4.03Å; I149-F158 HydrophobicContact CD1-CG 3.8Å; I149-I168 HydrophobicContact CD1-CD1 3.61Å; I149-I168 HydrophobicContact CG1-CD1 4.45Å; I149-F196 HydrophobicContact CD1-CB 4.16Å; I149-F196 HydrophobicContact CD1-CD1 3.85Å; I149-F196 HydrophobicContact CD1-CG 4.22Å; I149-F196 HydrophobicContact CG1-CB 4.38Å; I149-F196 HydrophobicContact CG1-CD1 3.98Å; I149-A197 PolarHBondContact N-O 2.74Å; I149-T198 VanDerWaalsContact O-CB 3.29Å; I149-T198 WeakPolarHBondContact O-CB 3.33Å; I149-T198 PolarHBondContact O-OG1 2.84Å; I149-V203 HydrophobicContact CB-CG1 4.4Å; I149-V203 HydrophobicContact CG2-CG1 3.77Å; I149-V203 HydrophobicContact CG2-CG2 4.36Å
150	S	96.3	Very high	96.2	Very high	75 Å²	75	69.3 Å²	69.3	52%	0.524	35%	0.35	S	S	.	.			trans	-106.6	-14.7	-176.1	73.3	0	0	0	0	113.6	E154	S150-E154 PolarHBondContact N-OE2 2.95Å; S150-E154 PolarHBondContact OG-OE1 3.19Å; S150-E154 PolarHBondContact OG-OE2 3.28Å
151	S	96.1	Very high	96.2	Very high	36 Å²	36	68.9 Å²	68.9	25%	0.252	35%	0.347	S	S	.	.	S	Bend	trans	-138.4	156.3	-173.7	82.5	0	0	0	0	113.8	L153 E154 V155	S151-L153 PolarHBondContact O-N 3Å; S151-E154 WeakPolarHBondContact CB-OE1 3.25Å; S151-E154 PolarHBondContact N-OE2 3.09Å; S151-E154 PolarHBondContact O-N 3.34Å; S151-E154 VanDerWaalsContact OG-CD 3.23Å; S151-E154 PolarHBondContact OG-N 2.9Å; S151-E154 PolarHBondContact OG-OE1 3.2Å; S151-V155 WeakPolarHBondContact O-CG2 3.21Å; S151-V155 PolarHBondContact O-N 2.95Å
152	K	91.8	Very high	96.3	Very high	138 Å²	138	71.7 Å²	71.7	60%	0.6	36%	0.361	S	S	*	.	H	α-helix	trans	-64.1	-22	176.2	-66.8	-176.3	179	-176.9	0	114
153	L	93.6	Very high	96.4	Very high	129 Å²	129	69.8 Å²	69.8	68%	0.675	35%	0.351	S	S	*	.	H	α-helix	trans	-74.2	-43.2	176	-70	173.1	0	0	0	109.9	S151 V155 Q156	S151-L153 PolarHBondContact O-N 3Å; L153-V155 PolarHBondContact O-N 2.87Å; L153-Q156 WeakPolarHBondContact O-CB 3.21Å; L153-Q156 PolarHBondContact O-N 3.01Å
154	E	97.4	Very high	96.5	Very high	72 Å²	72	66 Å²	66	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-33.7	173.3	-73.1	145.9	-125.7	0	0	111.9	I149 S150 S151 Q156 A157 F158	I149-E154 HydrophobicContact CG2-CB 3.8Å; S150-E154 PolarHBondContact N-OE2 2.95Å; S150-E154 PolarHBondContact OG-OE1 3.19Å; S150-E154 PolarHBondContact OG-OE2 3.28Å; S151-E154 WeakPolarHBondContact CB-OE1 3.25Å; S151-E154 PolarHBondContact N-OE2 3.09Å; S151-E154 PolarHBondContact O-N 3.34Å; S151-E154 VanDerWaalsContact OG-CD 3.23Å; S151-E154 PolarHBondContact OG-N 2.9Å; S151-E154 PolarHBondContact OG-OE1 3.2Å; E154-Q156 PolarHBondContact O-N 2.68Å; E154-A157 WeakPolarHBondContact O-CB 3.31Å; E154-A157 PolarHBondContact O-N 2.98Å; E154-F158 PolarHBondContact O-N 2.8Å
155	V	97.2	Very high	96.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-34.4	172.2	-174.2	0	0	0	0	112	I149 S151 L153 A157 F158 E159 V203 K206 L207	I149-V155 HydrophobicContact CG2-CG2 3.74Å; S151-V155 WeakPolarHBondContact O-CG2 3.21Å; S151-V155 PolarHBondContact O-N 2.95Å; L153-V155 PolarHBondContact O-N 2.87Å; V155-A157 VanDerWaalsContact C-N 3.3Å; V155-A157 PolarHBondContact O-N 2.77Å; V155-F158 PolarHBondContact O-N 3.17Å; V155-E159 HydrophobicContact CG1-CG 4.14Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.3Å; V155-E159 WeakPolarHBondContact O-CB 3.43Å; V155-E159 VanDerWaalsContact O-CG 3.26Å; V155-E159 WeakPolarHBondContact O-CG 3.33Å; V155-E159 PolarHBondContact O-N 2.96Å; V155-V203 HydrophobicContact CG2-CB 4.39Å; V155-V203 HydrophobicContact CG2-CG1 3.67Å; V155-V203 HydrophobicContact CG2-CG2 4.23Å; V155-K206 HydrophobicContact CB-CD 4.15Å; V155-K206 HydrophobicContact CG1-CD 3.87Å; V155-K206 HydrophobicContact CG1-CG 4.49Å; V155-K206 VanDerWaalsContact CG1-NZ 3.27Å; V155-K206 HydrophobicContact CG2-CD 4.39Å; V155-L207 HydrophobicContact CG1-CD1 4.42Å; V155-L207 HydrophobicContact CG1-CD2 3.75Å; V155-L207 HydrophobicContact CG1-CG 4.05Å
156	Q	95.2	Very high	96.8	Very high	94 Å²	94	60 Å²	60	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-69.6	-28.9	177	-62	179.9	-19.8	0	0	112.5	L153 E154 R160	L153-Q156 WeakPolarHBondContact O-CB 3.21Å; L153-Q156 PolarHBondContact O-N 3.01Å; E154-Q156 PolarHBondContact O-N 2.68Å; Q156-R160 WeakPolarHBondContact O-CD 3.45Å; Q156-R160 VanDerWaalsContact O-CG 3.24Å; Q156-R160 WeakPolarHBondContact O-CG 3.41Å; Q156-R160 PolarHBondContact O-N 2.87Å
157	A	96.3	Very high	96.8	Very high	59 Å²	59	59.7 Å²	59.7	49%	0.488	30%	0.298	S	S	.	.	H	α-helix	trans	-70.9	-45.8	173.2	0	0	0	0	0	110.1	E154 V155 E159 R160	E154-A157 WeakPolarHBondContact O-CB 3.31Å; E154-A157 PolarHBondContact O-N 2.98Å; V155-A157 VanDerWaalsContact C-N 3.3Å; V155-A157 PolarHBondContact O-N 2.77Å; A157-E159 PolarHBondContact O-N 3.34Å; A157-R160 WeakPolarHBondContact O-CB 3.21Å; A157-R160 PolarHBondContact O-N 3.22Å; A157-R160 VanDerWaalsContact O-N 3.12Å
158	F	97.4	Very high	96.8	Very high	4 Å²	4	55 Å²	55	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-45.5	173.2	168.8	-96.6	0	0	0	113	I149 E154 V155 R160 I161 K166 I168 F196 L207 Y217	I149-F158 HydrophobicContact CD1-CB 3.5Å; I149-F158 HydrophobicContact CD1-CD2 4.03Å; I149-F158 HydrophobicContact CD1-CG 3.8Å; E154-F158 PolarHBondContact O-N 2.8Å; V155-F158 PolarHBondContact O-N 3.17Å; F158-R160 PolarHBondContact O-N 2.8Å; F158-I161 PolarHBondContact O-N 2.92Å; F158-K166 HydrophobicContact CD2-CD 4.09Å; F158-K166 HydrophobicContact CE2-CB 4.37Å; F158-K166 HydrophobicContact CE2-CD 3.6Å; F158-K166 HydrophobicContact CE2-CG 3.92Å; F158-K166 HydrophobicContact CZ-CD 3.95Å; F158-K166 HydrophobicContact CZ-CG 4.25Å; F158-K166 PolarHBondContact O-NZ 3.26Å; F158-I168 HydrophobicContact CD1-CD1 4.44Å; F158-I168 HydrophobicContact CD2-CD1 4.27Å; F158-I168 HydrophobicContact CE1-CD1 4.31Å; F158-I168 HydrophobicContact CE1-CG2 4.12Å; F158-I168 HydrophobicContact CE2-CB 3.92Å; F158-I168 HydrophobicContact CE2-CD1 4.12Å; F158-I168 HydrophobicContact CE2-CG2 4.11Å; F158-I168 HydrophobicContact CG-CD1 4.43Å; F158-I168 HydrophobicContact CZ-CB 3.83Å; F158-I168 HydrophobicContact CZ-CD1 4.15Å; F158-I168 HydrophobicContact CZ-CG2 3.49Å; F158-I168 VanDerWaalsContact CZ-CG2 3.49Å; F158-F196 HydrophobicContact CD2-CB 4.31Å; F158-F196 HydrophobicContact CD2-CD1 4.16Å; F158-F196 AromaticContact CD2-CD2 3.52Å; F158-F196 HydrophobicContact CD2-CD2 3.52Å; F158-F196 HydrophobicContact CD2-CE1 4.41Å; F158-F196 AromaticContact CD2-CE2 3.8Å; F158-F196 HydrophobicContact CD2-CE2 3.8Å; F158-F196 AromaticContact CD2-CG 3.72Å; F158-F196 HydrophobicContact CD2-CG 3.72Å; F158-F196 HydrophobicContact CD2-CZ 4.25Å; F158-F196 HydrophobicContact CE2-CB 4.39Å; F158-F196 AromaticContact CE2-CD2 3.6Å; F158-F196 HydrophobicContact CE2-CD2 3.6Å; F158-F196 HydrophobicContact CE2-CE2 4.12Å; F158-F196 HydrophobicContact CE2-CG 4.06Å; F158-L207 HydrophobicContact CD1-CD2 4.09Å; F158-L207 HydrophobicContact CE1-CD2 3.9Å; F158-Y217 HydrophobicContact CE1-CE2 4.2Å; F158-Y217 AromaticContact CZ-CD2 3.96Å; F158-Y217 HydrophobicContact CZ-CD2 3.96Å; F158-Y217 AromaticContact CZ-CE2 3.76Å; F158-Y217 HydrophobicContact CZ-CE2 3.76Å
159	E	95.9	Very high	96.8	Very high	94 Å²	94	52 Å²	52	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-22.2	178.6	-76.1	164.5	178.1	0	0	112.9	V155 A157 K206	V155-E159 HydrophobicContact CG1-CG 4.14Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.3Å; V155-E159 WeakPolarHBondContact O-CB 3.43Å; V155-E159 VanDerWaalsContact O-CG 3.26Å; V155-E159 WeakPolarHBondContact O-CG 3.33Å; V155-E159 PolarHBondContact O-N 2.96Å; A157-E159 PolarHBondContact O-N 3.34Å; E159-K206 IonicContact OE1-NZ 3.8Å; E159-K206 PolarHBondContact OE1-NZ 3.46Å; E159-K206 IonicContact OE2-NZ 2.63Å; E159-K206 PolarHBondContact OE2-NZ 2.89Å
160	R	96	Very high	96.8	Very high	194 Å²	194	52.3 Å²	52.3	73%	0.732	26%	0.261	S	S	*	.	H	α-helix	trans	-83.5	-15.4	179.6	-74.7	170.1	-173.6	-167.2	0.7	114.6	Q156 A157 F158 E162	Q156-R160 WeakPolarHBondContact O-CD 3.45Å; Q156-R160 VanDerWaalsContact O-CG 3.24Å; Q156-R160 WeakPolarHBondContact O-CG 3.41Å; Q156-R160 PolarHBondContact O-N 2.87Å; A157-R160 WeakPolarHBondContact O-CB 3.21Å; A157-R160 PolarHBondContact O-N 3.22Å; A157-R160 VanDerWaalsContact O-N 3.12Å; F158-R160 PolarHBondContact O-N 2.8Å; R160-E162 PolarHBondContact O-N 2.69Å; R160-E162 VanDerWaalsContact O-N 3.1Å
161	I	97.2	Very high	96.9	Very high	43 Å²	43	48.8 Å²	48.8	22%	0.221	24%	0.237	C	C	.	.			trans	-76	97.5	176.9	-58.3	169.1	0	0	0	106.7	F158 H164 K166 F196	F158-I161 PolarHBondContact O-N 2.92Å; I161-H164 HydrophobicContact CG2-CB 3.74Å; I161-K166 HydrophobicContact CB-CD 3.98Å; I161-K166 HydrophobicContact CG2-CD 4.07Å; I161-K166 WeakPolarHBondContact O-CE 3.45Å; I161-K166 PolarHBondContact O-NZ 3.18Å; I161-F196 HydrophobicContact CD1-CE1 4.48Å; I161-F196 HydrophobicContact CD1-CE2 4.04Å; I161-F196 HydrophobicContact CD1-CZ 3.53Å
162	E	97	Very high	97	Very high	60 Å²	60	54.8 Å²	54.8	28%	0.28	26%	0.258	S	S	.	.			trans	-105.8	-23.8	-177.9	61.8	177	178.5	0	0	112.6	R160 P219 F220 K276 K289	R160-E162 PolarHBondContact O-N 2.69Å; R160-E162 VanDerWaalsContact O-N 3.1Å; E162-P219 CarbonylContact O-C 3.41Å; E162-P219 VanDerWaalsContact O-CA 3.24Å; E162-P219 WeakPolarHBondContact O-CA 3.48Å; E162-F220 HydrophobicContact CB-CD1 4.28Å; E162-F220 HydrophobicContact CG-CD1 4.2Å; E162-F220 HydrophobicContact CG-CE1 4.06Å; E162-F220 PolarHBondContact O-N 2.82Å; E162-K276 IonicContact OE1-NZ 2.8Å; E162-K276 PolarHBondContact OE1-NZ 3.39Å; E162-K289 VanDerWaalsContact CD-NZ 3.27Å; E162-K289 IonicContact OE1-NZ 3.57Å; E162-K289 PolarHBondContact OE1-NZ 2.81Å; E162-K289 IonicContact OE2-NZ 2.95Å; E162-K289 PolarHBondContact OE2-NZ 2.98Å
163	D	96.6	Very high	97.3	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.123	24%	0.243	C	C	.	.	S	Bend	trans	-101.8	10.1	-171.1	59.3	-5.6	0	0	0	113.5	F220 R251 R253	D163-F220 HydrophobicContact CB-CE1 3.82Å; D163-F220 HydrophobicContact CB-CE2 4.38Å; D163-F220 HydrophobicContact CB-CZ 3.5Å; D163-R251 IonicContact OD2-CZ 2.76Å; D163-R251 IonicContact OD2-NH1 3.64Å; D163-R251 PolarHBondContact OD2-NH1 3.35Å; D163-R253 PolarHBondContact O-NH1 3.13Å
164	H	97.6	Very high	97.5	Very high	35 Å²	35	49.7 Å²	49.7	16%	0.162	24%	0.237	C	C	.	.	S	Bend	trans	-124.5	143.7	175.7	-67.1	65.6	0	0	0	110.3	I161 K166 K194 R253	I161-H164 HydrophobicContact CG2-CB 3.74Å; H164-K166 PolarHBondContact O-N 3.38Å; H164-K194 HydrophobicContact CB-CG 4.43Å; H164-R253 PolarHBondContact CD2-NH1 3.47Å; H164-R253 PolarHBondContact CE1-NH1 3Å; H164-R253 PolarHBondContact ND1-NH1 2.91Å; H164-R253 VanDerWaalsContact ND1-NH1 3.18Å; H164-R253 PolarHBondContact NE2-NH1 2.96Å
165	I	98.5	Very high	97.4	Very high	14 Å²	14	52.8 Å²	52.8	7%	0.072	26%	0.256	C	S	.	.			trans	-61.3	129.3	161.4	-62	169.6	0	0	0	106.7	L167 I193 K194 F216 P219 P247	I165-L167 HydrophobicContact CG2-CD1 4.26Å; I165-I193 HydrophobicContact CB-CG1 4.28Å; I165-I193 HydrophobicContact CB-CG2 4.06Å; I165-I193 HydrophobicContact CD1-CD1 4.26Å; I165-I193 HydrophobicContact CG2-CD1 4.32Å; I165-I193 HydrophobicContact CG2-CG1 4.46Å; I165-I193 HydrophobicContact CG2-CG2 3.67Å; I165-K194 PolarHBondContact O-N 2.85Å; I165-F216 HydrophobicContact CD1-CZ 4.41Å; I165-F216 HydrophobicContact CG1-CZ 4.38Å; I165-F216 HydrophobicContact CG2-CD2 4.06Å; I165-F216 HydrophobicContact CG2-CE1 4.37Å; I165-F216 HydrophobicContact CG2-CE2 3.25Å; I165-F216 HydrophobicContact CG2-CZ 3.44Å; I165-F216 VanDerWaalsContact CG2-CZ 3.44Å; I165-P219 VanDerWaalsContact CG1-CD 3.49Å; I165-P219 HydrophobicContact CG1-CG 3.88Å; I165-P247 HydrophobicContact CD1-CG 4.13Å; I165-P247 HydrophobicContact CG1-CG 4.17Å
166	K	98.6	Very high	97.4	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.8	177	66.4	-171.7	-175.3	-169.4	0	111.5	F158 I161 H164 K194 F196 Y217	F158-K166 HydrophobicContact CD2-CD 4.09Å; F158-K166 HydrophobicContact CE2-CB 4.37Å; F158-K166 HydrophobicContact CE2-CD 3.6Å; F158-K166 HydrophobicContact CE2-CG 3.92Å; F158-K166 HydrophobicContact CZ-CD 3.95Å; F158-K166 HydrophobicContact CZ-CG 4.25Å; F158-K166 PolarHBondContact O-NZ 3.26Å; I161-K166 HydrophobicContact CB-CD 3.98Å; I161-K166 HydrophobicContact CG2-CD 4.07Å; I161-K166 WeakPolarHBondContact O-CE 3.45Å; I161-K166 PolarHBondContact O-NZ 3.18Å; H164-K166 PolarHBondContact O-N 3.38Å; K166-K194 CarbonylContact C-O 3.51Å; K166-K194 WeakPolarHBondContact CA-O 3.47Å; K166-K194 HydrophobicContact CB-CB 4.35Å; K166-F196 HydrophobicContact CB-CD2 4.39Å; K166-F196 HydrophobicContact CB-CE2 4.12Å; K166-Y217 HydrophobicContact CG-CD2 4.36Å; K166-Y217 HydrophobicContact CG-CG 4.19Å; K166-Y217 PolarHBondContact N-O 3.41Å; K166-Y217 VanDerWaalsContact N-O 3.15Å; K166-Y217 PolarHBondContact O-N 3.18Å
167	L	98.8	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.9	175.8	-69.9	88.5	0	0	0	110	I165 F182 I193 K194 F195 F196 V214 D215 F216 I227 I237 V241	I165-L167 HydrophobicContact CG2-CD1 4.26Å; L167-F182 HydrophobicContact CB-CE2 4.18Å; L167-F182 HydrophobicContact CB-CZ 4.19Å; L167-I193 HydrophobicContact CD1-CG2 3.49Å; L167-I193 VanDerWaalsContact CD1-CG2 3.49Å; L167-K194 PolarHBondContact N-O 3.16Å; L167-F195 HydrophobicContact CB-CD1 4.22Å; L167-F195 HydrophobicContact CB-CE1 4.35Å; L167-F195 HydrophobicContact CB-CG 4.41Å; L167-F195 HydrophobicContact CD1-CD2 4.22Å; L167-F195 HydrophobicContact CD1-CE1 4.3Å; L167-F195 HydrophobicContact CD1-CE2 3.76Å; L167-F195 HydrophobicContact CD1-CZ 3.8Å; L167-F195 HydrophobicContact CD2-CE1 3.94Å; L167-F195 HydrophobicContact CD2-CZ 4.03Å; L167-F195 HydrophobicContact CG-CE1 4.43Å; L167-F195 HydrophobicContact CG-CZ 4.38Å; L167-F196 WeakPolarHBondContact O-CB 3.39Å; L167-F196 PolarHBondContact O-N 2.92Å; L167-V214 HydrophobicContact CB-CG1 4.39Å; L167-V214 HydrophobicContact CD2-CG1 4.02Å; L167-D215 CarbonylContact C-O 3.57Å; L167-D215 VanDerWaalsContact CA-O 3.31Å; L167-D215 WeakPolarHBondContact CA-O 3.35Å; L167-F216 HydrophobicContact CD1-CD2 3.94Å; L167-F216 HydrophobicContact CD1-CE2 4.36Å; L167-F216 HydrophobicContact CD2-CD2 4.19Å; L167-F216 HydrophobicContact CG-CB 4.48Å; L167-F216 HydrophobicContact CG-CD2 3.93Å; L167-I227 HydrophobicContact CD2-CD1 4.09Å; L167-I237 HydrophobicContact CD2-CG2 4.3Å; L167-V241 HydrophobicContact CD1-CG2 4.06Å; L167-V241 HydrophobicContact CD2-CG2 3.65Å; L167-V241 HydrophobicContact CG-CG2 4.47Å
168	I	98.8	Very high	97.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.7	171.6	-173.8	153.7	0	0	0	112.6	I149 F158 F196 L207 L209 V214 D215 Y217	I149-I168 HydrophobicContact CD1-CD1 3.61Å; I149-I168 HydrophobicContact CG1-CD1 4.45Å; F158-I168 HydrophobicContact CD1-CD1 4.44Å; F158-I168 HydrophobicContact CD2-CD1 4.27Å; F158-I168 HydrophobicContact CE1-CD1 4.31Å; F158-I168 HydrophobicContact CE1-CG2 4.12Å; F158-I168 HydrophobicContact CE2-CB 3.92Å; F158-I168 HydrophobicContact CE2-CD1 4.12Å; F158-I168 HydrophobicContact CE2-CG2 4.11Å; F158-I168 HydrophobicContact CG-CD1 4.43Å; F158-I168 HydrophobicContact CZ-CB 3.83Å; F158-I168 HydrophobicContact CZ-CD1 4.15Å; F158-I168 HydrophobicContact CZ-CG2 3.49Å; F158-I168 VanDerWaalsContact CZ-CG2 3.49Å; I168-F196 VanDerWaalsContact CA-O 3.28Å; I168-F196 WeakPolarHBondContact CA-O 3.49Å; I168-F196 HydrophobicContact CB-CB 4.08Å; I168-F196 HydrophobicContact CD1-CB 3.91Å; I168-F196 HydrophobicContact CG1-CB 3.99Å; I168-L207 HydrophobicContact CD1-CD1 3.37Å; I168-L207 HydrophobicContact CG1-CD1 4.2Å; I168-L209 HydrophobicContact CG1-CD1 4.02Å; I168-L209 HydrophobicContact CG2-CD1 4.13Å; I168-V214 WeakPolarHBondContact O-CA 3.28Å; I168-D215 HydrophobicContact CG2-CB 4.22Å; I168-D215 PolarHBondContact N-O 3.07Å; I168-D215 PolarHBondContact O-N 3.46Å; I168-Y217 HydrophobicContact CG2-CD2 4.39Å; I168-Y217 HydrophobicContact CG2-CE2 3.69Å
169	G	98.6	Very high	97.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.2	177.9	0	0	0	0	0	113.7	F196 A197 T198 E213	G169-F196 PolarHBondContact N-O 3.37Å; G169-A197 CarbonylContact O-C 3.39Å; G169-A197 WeakPolarHBondContact O-CA 3.37Å; G169-T198 PolarHBondContact O-N 2.84Å; G169-E213 WeakPolarHBondContact CA-O 3.43Å
170	F	98.6	Very high	97.8	Very high	15 Å²	15	56.7 Å²	56.7	7%	0.066	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.6	168.2	172.4	-140.2	0	0	0	111.3	T198 K201 A204 L209 K210 M211 N212 E213	F170-T198 HydrophobicContact CB-CG2 4.03Å; F170-T198 HydrophobicContact CD2-CG2 3.85Å; F170-T198 WeakPolarHBondContact CD2-O 3.48Å; F170-T198 HydrophobicContact CG-CG2 4.28Å; F170-K201 HydrophobicContact CZ-CG 3.96Å; F170-A204 HydrophobicContact CB-CB 3.97Å; F170-A204 HydrophobicContact CD1-CB 3.41Å; F170-A204 VanDerWaalsContact CD1-CB 3.41Å; F170-A204 HydrophobicContact CD2-CB 3.68Å; F170-A204 HydrophobicContact CE1-CB 3.77Å; F170-A204 HydrophobicContact CE2-CB 4.02Å; F170-A204 HydrophobicContact CG-CB 3.4Å; F170-A204 HydrophobicContact CZ-CB 4.07Å; F170-L209 HydrophobicContact CB-CB 3.8Å; F170-L209 HydrophobicContact CB-CD1 4.16Å; F170-K210 VanDerWaalsContact CD1-C 3.5Å; F170-K210 WeakPolarHBondContact CD1-O 3.39Å; F170-M211 HydrophobicContact CD1-CB 4.49Å; F170-M211 HydrophobicContact CE1-CB 4.28Å; F170-M211 HydrophobicContact CE1-CE 3.77Å; F170-M211 HydrophobicContact CE1-SD 4.42Å; F170-M211 HydrophobicContact CE2-CE 4.08Å; F170-M211 HydrophobicContact CZ-CE 3.46Å; F170-M211 VanDerWaalsContact CZ-CE 3.46Å; F170-M211 HydrophobicContact CZ-SD 4.41Å; F170-N212 WeakPolarHBondContact O-CA 3.39Å; F170-N212 PolarHBondContact O-N 3.31Å; F170-E213 PolarHBondContact N-O 2.77Å
171	F	98.6	Very high	97.9	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	23%	0.232	C	C	.	.			trans	-121.2	170.2	-177.9	-52.1	-76.7	0	0	0	112.3	Y178 Y179 F182 A197 T198 F199 V214	F171-Y178 WeakPolarHBondContact CE1-O 3.46Å; F171-Y179 AromaticContact CD2-CD2 3.72Å; F171-Y179 HydrophobicContact CD2-CD2 3.72Å; F171-Y179 HydrophobicContact CD2-CG 4.4Å; F171-Y179 HydrophobicContact CE2-CD2 4.12Å; F171-Y179 HydrophobicContact CG-CD2 4.36Å; F171-F182 HydrophobicContact CE1-CB 4.31Å; F171-F182 HydrophobicContact CE2-CB 4.03Å; F171-F182 AromaticContact CE2-CD1 3.68Å; F171-F182 HydrophobicContact CE2-CD1 3.68Å; F171-F182 HydrophobicContact CE2-CD2 4.41Å; F171-F182 HydrophobicContact CE2-CE1 4.2Å; F171-F182 AromaticContact CE2-CG 3.79Å; F171-F182 HydrophobicContact CE2-CG 3.79Å; F171-F182 HydrophobicContact CZ-CB 3.53Å; F171-F182 AromaticContact CZ-CD1 3.96Å; F171-F182 HydrophobicContact CZ-CD1 3.96Å; F171-F182 AromaticContact CZ-CD2 3.95Å; F171-F182 HydrophobicContact CZ-CD2 3.95Å; F171-F182 AromaticContact CZ-CG 3.54Å; F171-F182 HydrophobicContact CZ-CG 3.54Å; F171-A197 HydrophobicContact CD2-CB 4.08Å; F171-A197 HydrophobicContact CE2-CB 4.14Å; F171-T198 PolarHBondContact N-O 2.93Å; F171-F199 HydrophobicContact CB-CD1 4.05Å; F171-F199 HydrophobicContact CB-CE1 3.98Å; F171-V214 HydrophobicContact CE1-CG2 4.37Å; F171-V214 HydrophobicContact CZ-CG2 3.84Å
172	K	97.9	Very high	98	Very high	161 Å²	161	46 Å²	46	70%	0.7	22%	0.222	S	C	*	.	S	Bend	trans	-71.8	-39.2	-179.5	-173.9	-179.8	176	-171.2	0	112.9	M211	K172-M211 HydrophobicContact CB-CE 4.42Å; K172-M211 HydrophobicContact CB-SD 4.13Å
173	S	97.7	Very high	98.1	Very high	41 Å²	41	46.1 Å²	46.1	29%	0.287	22%	0.222	S	C	.	.			trans	-178.8	168.3	-175.8	54.7	0	0	0	0	109.3	D175 S176 F199	S173-D175 PolarHBondContact O-N 3.15Å; S173-S176 WeakPolarHBondContact O-CB 3.28Å; S173-S176 PolarHBondContact O-N 3.18Å; S173-F199 VanDerWaalsContact CA-CD1 3.47Å
174	E	96.8	Very high	98.1	Very high	119 Å²	119	49.6 Å²	49.6	56%	0.556	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.1	171.5	-62.7	170.6	-164.1	0	0	112.9	S176 Y179 F199	E174-S176 PolarHBondContact O-N 3.22Å; E174-Y179 HydrophobicContact CB-CD1 4.36Å; E174-Y179 HydrophobicContact CB-CE1 4.28Å; E174-Y179 HydrophobicContact CG-CE1 4.4Å; E174-Y179 VanDerWaalsContact O-CD1 3.31Å; E174-Y179 WeakPolarHBondContact O-CD1 3.13Å; E174-F199 HydrophobicContact CB-CZ 4.29Å; E174-F199 HydrophobicContact CG-CD2 4.42Å; E174-F199 HydrophobicContact CG-CE2 3.4Å; E174-F199 VanDerWaalsContact CG-CE2 3.4Å; E174-F199 HydrophobicContact CG-CZ 3.46Å; E174-F199 VanDerWaalsContact CG-CZ 3.46Å
175	D	97	Very high	98.1	Very high	138 Å²	138	48 Å²	48	74%	0.738	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.9	177.9	-70.4	-44.4	0	0	0	114.5	S173	S173-D175 PolarHBondContact O-N 3.15Å
176	S	97	Very high	98.1	Very high	17 Å²	17	47.3 Å²	47.3	12%	0.119	23%	0.227	C	C	.	.			trans	-70.2	133.8	-178.4	-176.9	0	0	0	0	111.1	S173 E174 Y178 Y179 K180	S173-S176 WeakPolarHBondContact O-CB 3.28Å; S173-S176 PolarHBondContact O-N 3.18Å; E174-S176 PolarHBondContact O-N 3.22Å; S176-Y178 PolarHBondContact O-N 3.4Å; S176-Y178 PolarHBondContact OG-N 3.14Å; S176-Y179 PolarHBondContact O-N 2.93Å; S176-K180 PolarHBondContact O-N 2.66Å; S176-K180 VanDerWaalsContact O-N 3.1Å
177	E	97.7	Very high	98	Very high	135 Å²	135	49.6 Å²	49.6	63%	0.631	24%	0.238	S	C	*	.	H	α-helix	trans	-57	-35.8	174.6	67.9	-169.7	149.1	0	0	112.1	K180 A181	E177-K180 PolarHBondContact O-N 3.18Å; E177-A181 PolarHBondContact O-N 2.85Å
178	Y	98.1	Very high	97.9	Very high	73 Å²	73	54.2 Å²	54.2	29%	0.286	26%	0.259	S	S	.	.	H	α-helix	trans	-70.6	-30.4	177.5	-49.3	-56.9	0	0	0	114	F171 S176 F182 N212 P231	F171-Y178 WeakPolarHBondContact CE1-O 3.46Å; S176-Y178 PolarHBondContact O-N 3.4Å; S176-Y178 PolarHBondContact OG-N 3.14Å; Y178-F182 WeakPolarHBondContact O-CB 3.32Å; Y178-F182 PolarHBondContact O-N 2.99Å; Y178-N212 HydrophobicContact CD2-CB 4.43Å; Y178-N212 VanDerWaalsContact CD2-CG 3.43Å; Y178-N212 WeakPolarHBondContact CD2-ND2 3.5Å; Y178-N212 WeakPolarHBondContact CD2-OD1 3.3Å; Y178-N212 WeakPolarHBondContact CE2-ND2 3.29Å; Y178-P231 HydrophobicContact CD1-CB 3.45Å; Y178-P231 VanDerWaalsContact CD1-CB 3.45Å; Y178-P231 HydrophobicContact CD1-CG 4.18Å; Y178-P231 HydrophobicContact CE1-CB 3.27Å; Y178-P231 HydrophobicContact CE1-CG 3.47Å; Y178-P231 VanDerWaalsContact CE1-CG 3.47Å; Y178-P231 HydrophobicContact CE2-CB 4.44Å; Y178-P231 HydrophobicContact CG-CB 4.12Å
179	Y	98.6	Very high	97.8	Very high	11 Å²	11	54.9 Å²	54.9	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-72.6	-40.5	174.2	169.8	-96.3	0	0	0	109.7	V146 I148 F171 E174 S176 A181 F182 E183 A197 F199	V146-Y179 HydrophobicContact CG1-CE2 4.1Å; I148-Y179 HydrophobicContact CD1-CE2 4.03Å; F171-Y179 AromaticContact CD2-CD2 3.72Å; F171-Y179 HydrophobicContact CD2-CD2 3.72Å; F171-Y179 HydrophobicContact CD2-CG 4.4Å; F171-Y179 HydrophobicContact CE2-CD2 4.12Å; F171-Y179 HydrophobicContact CG-CD2 4.36Å; E174-Y179 HydrophobicContact CB-CD1 4.36Å; E174-Y179 HydrophobicContact CB-CE1 4.28Å; E174-Y179 HydrophobicContact CG-CE1 4.4Å; E174-Y179 VanDerWaalsContact O-CD1 3.31Å; E174-Y179 WeakPolarHBondContact O-CD1 3.13Å; S176-Y179 PolarHBondContact O-N 2.93Å; Y179-A181 PolarHBondContact O-N 3.2Å; Y179-F182 CarbonylContact O-C 3.44Å; Y179-F182 WeakPolarHBondContact O-CB 3.39Å; Y179-F182 PolarHBondContact O-N 3.23Å; Y179-F182 VanDerWaalsContact O-N 3.11Å; Y179-E183 HydrophobicContact CE1-CB 4.27Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.48Å; Y179-E183 WeakPolarHBondContact O-CB 3.44Å; Y179-E183 PolarHBondContact O-N 3.18Å; Y179-E183 PolarHBondContact OH-OE1 3.39Å; Y179-A197 HydrophobicContact CD2-CB 4.03Å; Y179-A197 HydrophobicContact CE2-CB 3.72Å; Y179-F199 AromaticContact CD2-CE1 3.73Å; Y179-F199 HydrophobicContact CD2-CE1 3.73Å; Y179-F199 AromaticContact CD2-CZ 3.78Å; Y179-F199 HydrophobicContact CD2-CZ 3.78Å; Y179-F199 HydrophobicContact CE2-CE1 4.17Å; Y179-F199 AromaticContact CE2-CZ 3.75Å; Y179-F199 HydrophobicContact CE2-CZ 3.75Å; Y179-F199 HydrophobicContact CG-CE1 4.08Å; Y179-F199 HydrophobicContact CG-CZ 4.21Å
180	K	98.5	Very high	97.5	Very high	96 Å²	96	55.4 Å²	55.4	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-42.9	177.4	-67	179.7	-180	-179	0	112.4	S176 E177 F182 E183 E184	S176-K180 PolarHBondContact O-N 2.66Å; S176-K180 VanDerWaalsContact O-N 3.1Å; E177-K180 PolarHBondContact O-N 3.18Å; K180-F182 VanDerWaalsContact C-N 3.28Å; K180-F182 PolarHBondContact O-N 3.17Å; K180-E183 PolarHBondContact O-N 2.86Å; K180-E184 WeakPolarHBondContact O-CB 3.41Å; K180-E184 VanDerWaalsContact O-CG 3.29Å; K180-E184 WeakPolarHBondContact O-CG 3.32Å; K180-E184 PolarHBondContact O-N 3.12Å
181	A	98.3	Very high	97.4	Very high	14 Å²	14	55.2 Å²	55.2	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-36.3	173.2	0	0	0	0	0	112.5	E177 Y179 A185	E177-A181 PolarHBondContact O-N 2.85Å; Y179-A181 PolarHBondContact O-N 3.2Å; A181-A185 WeakPolarHBondContact O-CB 3.39Å; A181-A185 PolarHBondContact O-N 3.26Å
182	F	98.7	Very high	97.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.5	-39	175.4	179.9	-99.4	0	0	0	112.6	V146 L167 F171 Y178 Y179 K180 A185 A186 F195 F196 A197 V214 I237	V146-F182 HydrophobicContact CG1-CD1 4.27Å; V146-F182 HydrophobicContact CG1-CE1 3.84Å; V146-F182 HydrophobicContact CG2-CD1 4.13Å; V146-F182 HydrophobicContact CG2-CE1 4.14Å; L167-F182 HydrophobicContact CB-CE2 4.18Å; L167-F182 HydrophobicContact CB-CZ 4.19Å; F171-F182 HydrophobicContact CE1-CB 4.31Å; F171-F182 HydrophobicContact CE2-CB 4.03Å; F171-F182 AromaticContact CE2-CD1 3.68Å; F171-F182 HydrophobicContact CE2-CD1 3.68Å; F171-F182 HydrophobicContact CE2-CD2 4.41Å; F171-F182 HydrophobicContact CE2-CE1 4.2Å; F171-F182 AromaticContact CE2-CG 3.79Å; F171-F182 HydrophobicContact CE2-CG 3.79Å; F171-F182 HydrophobicContact CZ-CB 3.53Å; F171-F182 AromaticContact CZ-CD1 3.96Å; F171-F182 HydrophobicContact CZ-CD1 3.96Å; F171-F182 AromaticContact CZ-CD2 3.95Å; F171-F182 HydrophobicContact CZ-CD2 3.95Å; F171-F182 AromaticContact CZ-CG 3.54Å; F171-F182 HydrophobicContact CZ-CG 3.54Å; Y178-F182 WeakPolarHBondContact O-CB 3.32Å; Y178-F182 PolarHBondContact O-N 2.99Å; Y179-F182 CarbonylContact O-C 3.44Å; Y179-F182 WeakPolarHBondContact O-CB 3.39Å; Y179-F182 PolarHBondContact O-N 3.23Å; Y179-F182 VanDerWaalsContact O-N 3.11Å; K180-F182 VanDerWaalsContact C-N 3.28Å; K180-F182 PolarHBondContact O-N 3.17Å; F182-A185 PolarHBondContact O-N 3.4Å; F182-A186 WeakPolarHBondContact O-CB 3.21Å; F182-A186 PolarHBondContact O-N 3.02Å; F182-F195 HydrophobicContact CD1-CD1 4.4Å; F182-F195 HydrophobicContact CD2-CD1 4.14Å; F182-F195 HydrophobicContact CD2-CE1 4.33Å; F182-F195 HydrophobicContact CE1-CB 4.17Å; F182-F195 AromaticContact CE1-CD1 3.84Å; F182-F195 HydrophobicContact CE1-CD1 3.84Å; F182-F195 AromaticContact CE2-CD1 3.53Å; F182-F195 HydrophobicContact CE2-CD1 3.53Å; F182-F195 AromaticContact CE2-CE1 3.89Å; F182-F195 HydrophobicContact CE2-CE1 3.89Å; F182-F195 HydrophobicContact CZ-CB 4.12Å; F182-F195 AromaticContact CZ-CD1 3.38Å; F182-F195 HydrophobicContact CZ-CD1 3.38Å; F182-F195 HydrophobicContact CZ-CE1 4.21Å; F182-F195 HydrophobicContact CZ-CG 4.15Å; F182-F196 VanDerWaalsContact CE1-O 3.24Å; F182-F196 WeakPolarHBondContact CE1-O 3.43Å; F182-F196 VanDerWaalsContact CZ-O 3.31Å; F182-F196 WeakPolarHBondContact CZ-O 3.45Å; F182-A197 HydrophobicContact CE1-CB 4.32Å; F182-V214 HydrophobicContact CD2-CG1 4.19Å; F182-V214 HydrophobicContact CD2-CG2 3.77Å; F182-V214 HydrophobicContact CE2-CB 4.46Å; F182-V214 HydrophobicContact CE2-CG1 3.62Å; F182-V214 HydrophobicContact CE2-CG2 3.91Å; F182-I237 HydrophobicContact CB-CD1 4.18Å; F182-I237 HydrophobicContact CD2-CD1 4.02Å
183	E	98.5	Very high	97.3	Very high	62 Å²	62	49.7 Å²	49.7	29%	0.29	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-44.3	174.4	-174.7	174.3	-109.9	0	0	111.4	P145 V146 Y179 K180 A185 A186 E187	P145-E183 HydrophobicContact CG-CG 3.97Å; V146-E183 HydrophobicContact CG2-CB 4.16Å; V146-E183 HydrophobicContact CG2-CG 4.25Å; Y179-E183 HydrophobicContact CE1-CB 4.27Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.48Å; Y179-E183 WeakPolarHBondContact O-CB 3.44Å; Y179-E183 PolarHBondContact O-N 3.18Å; Y179-E183 PolarHBondContact OH-OE1 3.39Å; K180-E183 PolarHBondContact O-N 2.86Å; E183-A185 VanDerWaalsContact C-N 3.32Å; E183-A185 PolarHBondContact O-N 2.78Å; E183-A186 WeakPolarHBondContact O-CB 3.43Å; E183-A186 PolarHBondContact O-N 3.06Å; E183-E187 PolarHBondContact O-N 3.3Å
184	E	97.4	Very high	97.3	Very high	96 Å²	96	49.7 Å²	49.7	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-40	172.6	-73.4	169.2	178.3	0	0	111.2	K180 E187 H188 E234	K180-E184 WeakPolarHBondContact O-CB 3.41Å; K180-E184 VanDerWaalsContact O-CG 3.29Å; K180-E184 WeakPolarHBondContact O-CG 3.32Å; K180-E184 PolarHBondContact O-N 3.12Å; E184-E187 WeakPolarHBondContact O-CB 3.44Å; E184-E187 PolarHBondContact O-N 3.37Å; E184-H188 PolarHBondContact O-CD2 3.22Å; E184-E234 HydrophobicContact CB-CB 4.44Å; E184-E234 HydrophobicContact CB-CG 3.95Å
185	A	98.1	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-42.1	174.8	0	0	0	0	0	112.3	A181 F182 E183 E187 H188 F189 F195 E234 I237 V238	A181-A185 WeakPolarHBondContact O-CB 3.39Å; A181-A185 PolarHBondContact O-N 3.26Å; F182-A185 PolarHBondContact O-N 3.4Å; E183-A185 VanDerWaalsContact C-N 3.32Å; E183-A185 PolarHBondContact O-N 2.78Å; A185-E187 PolarHBondContact O-N 3.1Å; A185-H188 WeakPolarHBondContact O-CB 3.39Å; A185-H188 PolarHBondContact O-N 2.94Å; A185-F189 VanDerWaalsContact O-CD2 3.28Å; A185-F189 WeakPolarHBondContact O-CD2 3.4Å; A185-F195 HydrophobicContact CB-CE1 4.49Å; A185-E234 HydrophobicContact CB-CG 4.33Å; A185-I237 HydrophobicContact CB-CB 3.79Å; A185-I237 HydrophobicContact CB-CD1 4.2Å; A185-I237 HydrophobicContact CB-CG2 3.69Å; A185-V238 HydrophobicContact CB-CG2 4Å
186	A	98.1	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-33.9	178.2	0	0	0	0	0	112.4	P145 V146 F182 E183 H188 F189 Q190 F195	P145-A186 HydrophobicContact CB-CB 3.89Å; V146-A186 HydrophobicContact CG2-CB 3.63Å; F182-A186 WeakPolarHBondContact O-CB 3.21Å; F182-A186 PolarHBondContact O-N 3.02Å; E183-A186 WeakPolarHBondContact O-CB 3.43Å; E183-A186 PolarHBondContact O-N 3.06Å; A186-H188 PolarHBondContact O-N 3.38Å; A186-F189 PolarHBondContact O-N 2.98Å; A186-F189 VanDerWaalsContact O-N 3.12Å; A186-Q190 PolarHBondContact O-N 3.21Å; A186-F195 HydrophobicContact CB-CB 3.64Å; A186-F195 HydrophobicContact CB-CD1 3.42Å; A186-F195 VanDerWaalsContact CB-CD1 3.42Å; A186-F195 HydrophobicContact CB-CD2 3.9Å; A186-F195 HydrophobicContact CB-CE1 3.99Å; A186-F195 HydrophobicContact CB-CE2 4.41Å; A186-F195 HydrophobicContact CB-CG 3.38Å; A186-F195 HydrophobicContact CB-CZ 4.46Å
187	E	96.3	Very high	97.5	Very high	63 Å²	63	37 Å²	37	29%	0.294	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.5	174.9	-74.3	-162.1	-172.2	0	0	114	R121 P145 E183 E184 A185 F189	R121-E187 WeakPolarHBondContact CD-O 3.41Å; R121-E187 IonicContact CZ-OE2 2.82Å; R121-E187 IonicContact NE-OE2 2.64Å; R121-E187 PolarHBondContact NE-OE2 3.13Å; R121-E187 PolarHBondContact NH1-O 3.35Å; R121-E187 IonicContact NH2-OE1 3.23Å; R121-E187 IonicContact NH2-OE2 3.2Å; R121-E187 PolarHBondContact NH2-OE2 3.17Å; P145-E187 HydrophobicContact CB-CG 3.97Å; P145-E187 HydrophobicContact CG-CG 3.91Å; E183-E187 PolarHBondContact O-N 3.3Å; E184-E187 WeakPolarHBondContact O-CB 3.44Å; E184-E187 PolarHBondContact O-N 3.37Å; A185-E187 PolarHBondContact O-N 3.1Å; E187-F189 VanDerWaalsContact C-N 3.28Å; E187-F189 PolarHBondContact O-N 2.78Å
188	H	96.1	Very high	97.6	Very high	96 Å²	96	30.6 Å²	30.6	44%	0.444	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.6	176.6	-69.8	-98.5	0	0	0	113.6	E184 A185 A186 E234 V238	E184-H188 PolarHBondContact O-CD2 3.22Å; A185-H188 WeakPolarHBondContact O-CB 3.39Å; A185-H188 PolarHBondContact O-N 2.94Å; A186-H188 PolarHBondContact O-N 3.38Å; H188-E234 IonicContact CD2-OE1 2.72Å; H188-E234 IonicContact CE1-OE1 3.84Å; H188-E234 IonicContact NE2-OE1 3.51Å; H188-E234 PolarHBondContact NE2-OE1 2.94Å; H188-V238 HydrophobicContact CB-CG2 4.26Å
189	F	96.4	Very high	97.6	Very high	14 Å²	14	29.7 Å²	29.7	6%	0.061	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	5.3	-170.3	-52.2	-77.8	0	0	0	113.8	A185 A186 E187 Y192 I193 F195 V238 V241 K242	A185-F189 VanDerWaalsContact O-CD2 3.28Å; A185-F189 WeakPolarHBondContact O-CD2 3.4Å; A186-F189 PolarHBondContact O-N 2.98Å; A186-F189 VanDerWaalsContact O-N 3.12Å; E187-F189 VanDerWaalsContact C-N 3.28Å; E187-F189 PolarHBondContact O-N 2.78Å; F189-Y192 PolarHBondContact O-N 2.99Å; F189-I193 HydrophobicContact CB-CB 3.75Å; F189-I193 HydrophobicContact CB-CD1 4.12Å; F189-I193 HydrophobicContact CB-CG1 4.08Å; F189-I193 HydrophobicContact CD1-CD1 3.79Å; F189-I193 HydrophobicContact CE1-CD1 4.45Å; F189-I193 HydrophobicContact CG-CB 4.47Å; F189-I193 HydrophobicContact CG-CD1 4.07Å; F189-I193 PolarHBondContact O-N 2.69Å; F189-F195 HydrophobicContact CB-CE2 4.07Å; F189-F195 AromaticContact CD2-CE2 3.74Å; F189-F195 HydrophobicContact CD2-CE2 3.74Å; F189-F195 AromaticContact CD2-CZ 3.62Å; F189-F195 HydrophobicContact CD2-CZ 3.62Å; F189-F195 HydrophobicContact CE2-CZ 4.13Å; F189-F195 HydrophobicContact CG-CE2 4.25Å; F189-V238 HydrophobicContact CE2-CB 4.36Å; F189-V238 HydrophobicContact CE2-CG1 4.47Å; F189-V238 HydrophobicContact CE2-CG2 4Å; F189-V238 HydrophobicContact CZ-CB 4.27Å; F189-V238 HydrophobicContact CZ-CG1 3.99Å; F189-V238 HydrophobicContact CZ-CG2 4.34Å; F189-V241 HydrophobicContact CD1-CG1 3.92Å; F189-V241 HydrophobicContact CD2-CG1 4.24Å; F189-V241 HydrophobicContact CE1-CB 4.09Å; F189-V241 HydrophobicContact CE1-CG1 3.5Å; F189-V241 VanDerWaalsContact CE1-CG1 3.5Å; F189-V241 HydrophobicContact CE2-CB 3.89Å; F189-V241 HydrophobicContact CE2-CG1 3.85Å; F189-V241 HydrophobicContact CE2-CG2 4.26Å; F189-V241 HydrophobicContact CG-CG1 4.27Å; F189-V241 HydrophobicContact CZ-CB 3.55Å; F189-V241 HydrophobicContact CZ-CG1 3.46Å; F189-V241 VanDerWaalsContact CZ-CG1 3.46Å; F189-V241 HydrophobicContact CZ-CG2 4.41Å; F189-K242 HydrophobicContact CE1-CG 4.12Å; F189-K242 HydrophobicContact CZ-CG 4.29Å
190	Q	93.9	Very high	97.6	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.056	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	141.1	175	-72.4	-166.2	-73.1	0	0	111.5	R121 L141 E143 P145 A186	R121-Q190 VanDerWaalsContact NH1-OE1 3.14Å; L141-Q190 HydrophobicContact CD1-CB 3.84Å; E143-Q190 PolarHBondContact O-NE2 2.91Å; E143-Q190 VanDerWaalsContact O-NE2 3.12Å; P145-Q190 VanDerWaalsContact CB-CD 3.46Å; P145-Q190 HydrophobicContact CB-CG 3.83Å; A186-Q190 PolarHBondContact O-N 3.21Å
191	P	95.1	Very high	97.5	Very high	11 Å²	11	35.6 Å²	35.6	7%	0.071	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.4	5.7	-8	35.9	-31.2	0	0	0	114.2	F137 D140 L141 K194	F137-P191 HydrophobicContact CD2-CG 3.49Å; F137-P191 VanDerWaalsContact CD2-CG 3.49Å; F137-P191 HydrophobicContact CE2-CG 3.34Å; F137-P191 HydrophobicContact CG-CG 4.46Å; F137-P191 HydrophobicContact CZ-CG 4.22Å; D140-P191 HydrophobicContact CB-CB 3.73Å; D140-P191 HydrophobicContact CB-CG 4.41Å; L141-P191 HydrophobicContact CB-CG 4.44Å; P191-K194 PolarHBondContact O-NZ 3.36Å
192	Y	96.1	Very high	97.5	Very high	32 Å²	32	36.4 Å²	36.4	13%	0.125	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-45.3	-168	-52.3	-67.5	0	0	0	113.5	I123 E124 F137 F189 E256	I123-Y192 HydrophobicContact CG2-CE2 4.33Å; E124-Y192 PolarHBondContact O-OH 3.44Å; F137-Y192 HydrophobicContact CD2-CE1 4.27Å; F137-Y192 AromaticContact CE2-CE1 3.76Å; F137-Y192 HydrophobicContact CE2-CE1 3.76Å; F137-Y192 HydrophobicContact CE2-CE2 4.31Å; F137-Y192 AromaticContact CE2-CZ 3.56Å; F137-Y192 VanDerWaalsContact CE2-OH 3.32Å; F137-Y192 WeakPolarHBondContact CE2-OH 3.48Å; F189-Y192 PolarHBondContact O-N 2.99Å; Y192-E256 HydrophobicContact CD1-CB 4.03Å; Y192-E256 VanDerWaalsContact CD1-OE2 3.28Å; Y192-E256 WeakPolarHBondContact CD1-OE2 3.4Å; Y192-E256 HydrophobicContact CE1-CB 3.95Å
193	I	98	Very high	97.4	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.072	18%	0.177	C	C	.	.	S	Bend	trans	-100.9	127.7	177.7	-56.6	-177.8	0	0	0	109.8	I165 L167 F189 F195 V241	I165-I193 HydrophobicContact CB-CG1 4.28Å; I165-I193 HydrophobicContact CB-CG2 4.06Å; I165-I193 HydrophobicContact CD1-CD1 4.26Å; I165-I193 HydrophobicContact CG2-CD1 4.32Å; I165-I193 HydrophobicContact CG2-CG1 4.46Å; I165-I193 HydrophobicContact CG2-CG2 3.67Å; L167-I193 HydrophobicContact CD1-CG2 3.49Å; L167-I193 VanDerWaalsContact CD1-CG2 3.49Å; F189-I193 HydrophobicContact CB-CB 3.75Å; F189-I193 HydrophobicContact CB-CD1 4.12Å; F189-I193 HydrophobicContact CB-CG1 4.08Å; F189-I193 HydrophobicContact CD1-CD1 3.79Å; F189-I193 HydrophobicContact CE1-CD1 4.45Å; F189-I193 HydrophobicContact CG-CB 4.47Å; F189-I193 HydrophobicContact CG-CD1 4.07Å; F189-I193 PolarHBondContact O-N 2.69Å; I193-F195 HydrophobicContact CB-CE2 4.12Å; I193-F195 HydrophobicContact CG2-CD2 4.05Å; I193-F195 HydrophobicContact CG2-CE2 3.64Å; I193-V241 HydrophobicContact CD1-CG1 3.39Å
194	K	98.1	Very high	97.4	Very high	40 Å²	40	33.6 Å²	33.6	17%	0.174	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117	-173.7	-53	-57.6	-174.6	-173.2	0	111.1	D140 H164 I165 K166 L167 P191 F196	D140-K194 IonicContact OD2-NZ 3.7Å; D140-K194 PolarHBondContact OD2-NZ 2.74Å; H164-K194 HydrophobicContact CB-CG 4.43Å; I165-K194 PolarHBondContact O-N 2.85Å; K166-K194 CarbonylContact C-O 3.51Å; K166-K194 WeakPolarHBondContact CA-O 3.47Å; K166-K194 HydrophobicContact CB-CB 4.35Å; L167-K194 PolarHBondContact N-O 3.16Å; P191-K194 PolarHBondContact O-NZ 3.36Å; K194-F196 HydrophobicContact CB-CD2 4.5Å; K194-F196 HydrophobicContact CB-CE2 3.62Å; K194-F196 HydrophobicContact CB-CZ 4.14Å
195	F	98.8	Very high	97.4	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.9	177.9	-79.4	-119.6	0	0	0	110.7	V146 E147 L167 F182 A185 A186 F189 I193 I237 V241	V146-F195 WeakPolarHBondContact CA-O 3.02Å; V146-F195 HydrophobicContact CG2-CB 4.13Å; E147-F195 PolarHBondContact N-O 3.06Å; L167-F195 HydrophobicContact CB-CD1 4.22Å; L167-F195 HydrophobicContact CB-CE1 4.35Å; L167-F195 HydrophobicContact CB-CG 4.41Å; L167-F195 HydrophobicContact CD1-CD2 4.22Å; L167-F195 HydrophobicContact CD1-CE1 4.3Å; L167-F195 HydrophobicContact CD1-CE2 3.76Å; L167-F195 HydrophobicContact CD1-CZ 3.8Å; L167-F195 HydrophobicContact CD2-CE1 3.94Å; L167-F195 HydrophobicContact CD2-CZ 4.03Å; L167-F195 HydrophobicContact CG-CE1 4.43Å; L167-F195 HydrophobicContact CG-CZ 4.38Å; F182-F195 HydrophobicContact CD1-CD1 4.4Å; F182-F195 HydrophobicContact CD2-CD1 4.14Å; F182-F195 HydrophobicContact CD2-CE1 4.33Å; F182-F195 HydrophobicContact CE1-CB 4.17Å; F182-F195 AromaticContact CE1-CD1 3.84Å; F182-F195 HydrophobicContact CE1-CD1 3.84Å; F182-F195 AromaticContact CE2-CD1 3.53Å; F182-F195 HydrophobicContact CE2-CD1 3.53Å; F182-F195 AromaticContact CE2-CE1 3.89Å; F182-F195 HydrophobicContact CE2-CE1 3.89Å; F182-F195 HydrophobicContact CZ-CB 4.12Å; F182-F195 AromaticContact CZ-CD1 3.38Å; F182-F195 HydrophobicContact CZ-CD1 3.38Å; F182-F195 HydrophobicContact CZ-CE1 4.21Å; F182-F195 HydrophobicContact CZ-CG 4.15Å; A185-F195 HydrophobicContact CB-CE1 4.49Å; A186-F195 HydrophobicContact CB-CB 3.64Å; A186-F195 HydrophobicContact CB-CD1 3.42Å; A186-F195 VanDerWaalsContact CB-CD1 3.42Å; A186-F195 HydrophobicContact CB-CD2 3.9Å; A186-F195 HydrophobicContact CB-CE1 3.99Å; A186-F195 HydrophobicContact CB-CE2 4.41Å; A186-F195 HydrophobicContact CB-CG 3.38Å; A186-F195 HydrophobicContact CB-CZ 4.46Å; F189-F195 HydrophobicContact CB-CE2 4.07Å; F189-F195 AromaticContact CD2-CE2 3.74Å; F189-F195 HydrophobicContact CD2-CE2 3.74Å; F189-F195 AromaticContact CD2-CZ 3.62Å; F189-F195 HydrophobicContact CD2-CZ 3.62Å; F189-F195 HydrophobicContact CE2-CZ 4.13Å; F189-F195 HydrophobicContact CG-CE2 4.25Å; I193-F195 HydrophobicContact CB-CE2 4.12Å; I193-F195 HydrophobicContact CG2-CD2 4.05Å; I193-F195 HydrophobicContact CG2-CE2 3.64Å; F195-I237 HydrophobicContact CE1-CG2 4.12Å; F195-V241 HydrophobicContact CZ-CG2 4.35Å
196	F	98.8	Very high	97.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.8	177.6	-61.8	-91	0	0	0	110.7	E147 I149 F158 I161 K166 L167 I168 G169 F182 K194	E147-F196 HydrophobicContact CB-CD1 3.58Å; E147-F196 HydrophobicContact CB-CE1 3.71Å; E147-F196 HydrophobicContact CB-CG 4.49Å; E147-F196 HydrophobicContact CG-CE1 4.24Å; E147-F196 CarbonylContact O-C 3.56Å; E147-F196 VanDerWaalsContact O-CA 3.26Å; E147-F196 WeakPolarHBondContact O-CA 3.09Å; I149-F196 HydrophobicContact CD1-CB 4.16Å; I149-F196 HydrophobicContact CD1-CD1 3.85Å; I149-F196 HydrophobicContact CD1-CG 4.22Å; I149-F196 HydrophobicContact CG1-CB 4.38Å; I149-F196 HydrophobicContact CG1-CD1 3.98Å; F158-F196 HydrophobicContact CD2-CB 4.31Å; F158-F196 HydrophobicContact CD2-CD1 4.16Å; F158-F196 AromaticContact CD2-CD2 3.52Å; F158-F196 HydrophobicContact CD2-CD2 3.52Å; F158-F196 HydrophobicContact CD2-CE1 4.41Å; F158-F196 AromaticContact CD2-CE2 3.8Å; F158-F196 HydrophobicContact CD2-CE2 3.8Å; F158-F196 AromaticContact CD2-CG 3.72Å; F158-F196 HydrophobicContact CD2-CG 3.72Å; F158-F196 HydrophobicContact CD2-CZ 4.25Å; F158-F196 HydrophobicContact CE2-CB 4.39Å; F158-F196 AromaticContact CE2-CD2 3.6Å; F158-F196 HydrophobicContact CE2-CD2 3.6Å; F158-F196 HydrophobicContact CE2-CE2 4.12Å; F158-F196 HydrophobicContact CE2-CG 4.06Å; I161-F196 HydrophobicContact CD1-CE1 4.48Å; I161-F196 HydrophobicContact CD1-CE2 4.04Å; I161-F196 HydrophobicContact CD1-CZ 3.53Å; K166-F196 HydrophobicContact CB-CD2 4.39Å; K166-F196 HydrophobicContact CB-CE2 4.12Å; L167-F196 WeakPolarHBondContact O-CB 3.39Å; L167-F196 PolarHBondContact O-N 2.92Å; I168-F196 VanDerWaalsContact CA-O 3.28Å; I168-F196 WeakPolarHBondContact CA-O 3.49Å; I168-F196 HydrophobicContact CB-CB 4.08Å; I168-F196 HydrophobicContact CD1-CB 3.91Å; I168-F196 HydrophobicContact CG1-CB 3.99Å; G169-F196 PolarHBondContact N-O 3.37Å; F182-F196 VanDerWaalsContact CE1-O 3.24Å; F182-F196 WeakPolarHBondContact CE1-O 3.43Å; F182-F196 VanDerWaalsContact CZ-O 3.31Å; F182-F196 WeakPolarHBondContact CZ-O 3.45Å; K194-F196 HydrophobicContact CB-CD2 4.5Å; K194-F196 HydrophobicContact CB-CE2 3.62Å; K194-F196 HydrophobicContact CB-CZ 4.14Å
197	A	98.8	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.1	171	0	0	0	0	0	111.6	V146 E147 I148 I149 G169 F171 Y179 F182	V146-A197 HydrophobicContact CG1-CB 3.57Å; E147-A197 PolarHBondContact O-N 2.84Å; I148-A197 CarbonylContact C-O 3.55Å; I148-A197 WeakPolarHBondContact CA-O 3.21Å; I148-A197 HydrophobicContact CD1-CB 3.92Å; I149-A197 PolarHBondContact N-O 2.74Å; G169-A197 CarbonylContact O-C 3.39Å; G169-A197 WeakPolarHBondContact O-CA 3.37Å; F171-A197 HydrophobicContact CD2-CB 4.08Å; F171-A197 HydrophobicContact CE2-CB 4.14Å; Y179-A197 HydrophobicContact CD2-CB 4.03Å; Y179-A197 HydrophobicContact CE2-CB 3.72Å; F182-A197 HydrophobicContact CE1-CB 4.32Å
198	T	98.7	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.7	168.3	-168.4	0	0	0	0	111	I149 G169 F170 F171 D200 V203 A204	I149-T198 VanDerWaalsContact O-CB 3.29Å; I149-T198 WeakPolarHBondContact O-CB 3.33Å; I149-T198 PolarHBondContact O-OG1 2.84Å; G169-T198 PolarHBondContact O-N 2.84Å; F170-T198 HydrophobicContact CB-CG2 4.03Å; F170-T198 HydrophobicContact CD2-CG2 3.85Å; F170-T198 WeakPolarHBondContact CD2-O 3.48Å; F170-T198 HydrophobicContact CG-CG2 4.28Å; F171-T198 PolarHBondContact N-O 2.93Å; T198-D200 PolarHBondContact OG1-N 3.01Å; T198-D200 VanDerWaalsContact OG1-N 3.15Å; T198-V203 HydrophobicContact CG2-CB 4.35Å; T198-V203 HydrophobicContact CG2-CG1 3.87Å; T198-V203 WeakPolarHBondContact OG1-CB 3.5Å; T198-V203 WeakPolarHBondContact OG1-CG1 3.36Å; T198-A204 HydrophobicContact CG2-CB 4.21Å
199	F	98.4	Very high	97.4	Very high	53 Å²	53	39.4 Å²	39.4	23%	0.232	20%	0.199	C	C	.	.			trans	-112.9	-2.2	168	-45.1	-57.5	0	0	0	111.5	I148 F171 S173 E174 Y179	I148-F199 HydrophobicContact CD1-CE2 3.83Å; I148-F199 HydrophobicContact CD1-CZ 3.91Å; I148-F199 HydrophobicContact CG1-CE2 4.32Å; I148-F199 HydrophobicContact CG2-CD2 4.16Å; I148-F199 HydrophobicContact CG2-CE2 3.98Å; F171-F199 HydrophobicContact CB-CD1 4.05Å; F171-F199 HydrophobicContact CB-CE1 3.98Å; S173-F199 VanDerWaalsContact CA-CD1 3.47Å; E174-F199 HydrophobicContact CB-CZ 4.29Å; E174-F199 HydrophobicContact CG-CD2 4.42Å; E174-F199 HydrophobicContact CG-CE2 3.4Å; E174-F199 VanDerWaalsContact CG-CE2 3.4Å; E174-F199 HydrophobicContact CG-CZ 3.46Å; E174-F199 VanDerWaalsContact CG-CZ 3.46Å; Y179-F199 AromaticContact CD2-CE1 3.73Å; Y179-F199 HydrophobicContact CD2-CE1 3.73Å; Y179-F199 AromaticContact CD2-CZ 3.78Å; Y179-F199 HydrophobicContact CD2-CZ 3.78Å; Y179-F199 HydrophobicContact CE2-CE1 4.17Å; Y179-F199 AromaticContact CE2-CZ 3.75Å; Y179-F199 HydrophobicContact CE2-CZ 3.75Å; Y179-F199 HydrophobicContact CG-CE1 4.08Å; Y179-F199 HydrophobicContact CG-CZ 4.21Å
200	D	98.3	Very high	97.5	Very high	74 Å²	74	44.8 Å²	44.8	40%	0.396	22%	0.222	S	C	.	.			trans	-91.4	123.4	-177.2	-175.6	-91.6	0	0	0	111.4	T198 G202 V203 A204	T198-D200 PolarHBondContact OG1-N 3.01Å; T198-D200 VanDerWaalsContact OG1-N 3.15Å; D200-G202 PolarHBondContact O-N 2.86Å; D200-G202 WeakPolarHBondContact OD1-CA 3.3Å; D200-G202 PolarHBondContact OD1-N 3.24Å; D200-V203 HydrophobicContact CB-CB 4.11Å; D200-V203 HydrophobicContact CB-CG2 3.94Å; D200-V203 PolarHBondContact O-N 3.02Å; D200-V203 PolarHBondContact OD1-N 3.27Å; D200-A204 PolarHBondContact O-N 2.92Å
201	K	97.1	Very high	97.7	Very high	158 Å²	158	48 Å²	48	69%	0.687	24%	0.238	S	C	*	.	H	α-helix	trans	-64.8	-26.4	179.5	-69.9	-178.4	179.5	-179.3	0	113.3	F170 K205	F170-K201 HydrophobicContact CZ-CG 3.96Å; K201-K205 VanDerWaalsContact O-CB 3.23Å; K201-K205 WeakPolarHBondContact O-CB 3.27Å; K201-K205 PolarHBondContact O-N 2.94Å
202	G	97.4	Very high	97.8	Very high	30 Å²	30	48.9 Å²	48.9	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-74.7	-38.7	177.9	0	0	0	0	0	112.2	D200 K206	D200-G202 PolarHBondContact O-N 2.86Å; D200-G202 WeakPolarHBondContact OD1-CA 3.3Å; D200-G202 PolarHBondContact OD1-N 3.24Å; G202-K206 PolarHBondContact O-N 3.44Å
203	V	98.2	Very high	97.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-54.2	170.5	172.2	0	0	0	0	110.1	I149 V155 T198 D200 K205 K206 L207	I149-V203 HydrophobicContact CB-CG1 4.4Å; I149-V203 HydrophobicContact CG2-CG1 3.77Å; I149-V203 HydrophobicContact CG2-CG2 4.36Å; V155-V203 HydrophobicContact CG2-CB 4.39Å; V155-V203 HydrophobicContact CG2-CG1 3.67Å; V155-V203 HydrophobicContact CG2-CG2 4.23Å; T198-V203 HydrophobicContact CG2-CB 4.35Å; T198-V203 HydrophobicContact CG2-CG1 3.87Å; T198-V203 WeakPolarHBondContact OG1-CB 3.5Å; T198-V203 WeakPolarHBondContact OG1-CG1 3.36Å; D200-V203 HydrophobicContact CB-CB 4.11Å; D200-V203 HydrophobicContact CB-CG2 3.94Å; D200-V203 PolarHBondContact O-N 3.02Å; D200-V203 PolarHBondContact OD1-N 3.27Å; V203-K205 PolarHBondContact O-N 2.96Å; V203-K206 WeakPolarHBondContact O-CA 3.45Å; V203-K206 WeakPolarHBondContact O-CB 3.23Å; V203-K206 PolarHBondContact O-N 3.48Å; V203-L207 HydrophobicContact CG1-CD1 3.95Å; V203-L207 PolarHBondContact O-N 3.19Å; V203-L207 VanDerWaalsContact O-N 3.07Å
204	A	97.9	Very high	98	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-55.2	-40.9	178.6	0	0	0	0	0	112.4	F170 T198 D200 K206 L207 S208 L209	F170-A204 HydrophobicContact CB-CB 3.97Å; F170-A204 HydrophobicContact CD1-CB 3.41Å; F170-A204 VanDerWaalsContact CD1-CB 3.41Å; F170-A204 HydrophobicContact CD2-CB 3.68Å; F170-A204 HydrophobicContact CE1-CB 3.77Å; F170-A204 HydrophobicContact CE2-CB 4.02Å; F170-A204 HydrophobicContact CG-CB 3.4Å; F170-A204 HydrophobicContact CZ-CB 4.07Å; T198-A204 HydrophobicContact CG2-CB 4.21Å; D200-A204 PolarHBondContact O-N 2.92Å; A204-K206 VanDerWaalsContact C-N 3.34Å; A204-K206 PolarHBondContact O-N 3.31Å; A204-L207 CarbonylContact O-C 3.52Å; A204-L207 PolarHBondContact O-N 3.04Å; A204-S208 PolarHBondContact O-N 3.44Å; A204-L209 HydrophobicContact CB-CB 4.29Å; A204-L209 PolarHBondContact O-N 3.35Å
205	K	97.6	Very high	98	Very high	176 Å²	176	46.1 Å²	46.1	77%	0.765	23%	0.231	S	C	*	.	H	α-helix	trans	-65	-33.7	175.1	-177	177.8	177.8	-176.5	0	113.3	K201 V203 L207 S208	K201-K205 VanDerWaalsContact O-CB 3.23Å; K201-K205 WeakPolarHBondContact O-CB 3.27Å; K201-K205 PolarHBondContact O-N 2.94Å; V203-K205 PolarHBondContact O-N 2.96Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-S208 PolarHBondContact O-N 2.99Å
206	K	96.5	Very high	98	Very high	79 Å²	79	46 Å²	46	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-39.6	176.5	-175	179.2	178	-121.9	0	110.5	V155 E159 G202 V203 A204 S208	V155-K206 HydrophobicContact CB-CD 4.15Å; V155-K206 HydrophobicContact CG1-CD 3.87Å; V155-K206 HydrophobicContact CG1-CG 4.49Å; V155-K206 VanDerWaalsContact CG1-NZ 3.27Å; V155-K206 HydrophobicContact CG2-CD 4.39Å; E159-K206 IonicContact OE1-NZ 3.8Å; E159-K206 PolarHBondContact OE1-NZ 3.46Å; E159-K206 IonicContact OE2-NZ 2.63Å; E159-K206 PolarHBondContact OE2-NZ 2.89Å; G202-K206 PolarHBondContact O-N 3.44Å; V203-K206 WeakPolarHBondContact O-CA 3.45Å; V203-K206 WeakPolarHBondContact O-CB 3.23Å; V203-K206 PolarHBondContact O-N 3.48Å; A204-K206 VanDerWaalsContact C-N 3.34Å; A204-K206 PolarHBondContact O-N 3.31Å; K206-S208 VanDerWaalsContact C-N 3.3Å
207	L	97	Very high	98	Very high	12 Å²	12	47 Å²	47	6%	0.063	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.9	178.9	-66.9	168.6	0	0	0	113.7	V155 F158 I168 V203 A204 K205 L209	V155-L207 HydrophobicContact CG1-CD1 4.42Å; V155-L207 HydrophobicContact CG1-CD2 3.75Å; V155-L207 HydrophobicContact CG1-CG 4.05Å; F158-L207 HydrophobicContact CD1-CD2 4.09Å; F158-L207 HydrophobicContact CE1-CD2 3.9Å; I168-L207 HydrophobicContact CD1-CD1 3.37Å; I168-L207 HydrophobicContact CG1-CD1 4.2Å; V203-L207 HydrophobicContact CG1-CD1 3.95Å; V203-L207 PolarHBondContact O-N 3.19Å; V203-L207 VanDerWaalsContact O-N 3.07Å; A204-L207 CarbonylContact O-C 3.52Å; A204-L207 PolarHBondContact O-N 3.04Å; K205-L207 VanDerWaalsContact C-N 3.34Å; L207-L209 HydrophobicContact CB-CD1 3.94Å; L207-L209 HydrophobicContact CB-CG 4.08Å; L207-L209 HydrophobicContact CD1-CD1 4.12Å; L207-L209 PolarHBondContact O-N 2.7Å
208	S	97.4	Very high	98	Very high	100 Å²	100	48.1 Å²	48.1	70%	0.699	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	12.7	-177	-58.4	0	0	0	0	116.7	A204 K205 K206	A204-S208 PolarHBondContact O-N 3.44Å; K205-S208 PolarHBondContact O-N 2.99Å; K206-S208 VanDerWaalsContact C-N 3.3Å
209	L	97.8	Very high	98	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.058	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-71.9	134.3	179.7	-70.3	166.3	0	0	0	112.9	I168 F170 A204 L207 E213 D215	I168-L209 HydrophobicContact CG1-CD1 4.02Å; I168-L209 HydrophobicContact CG2-CD1 4.13Å; F170-L209 HydrophobicContact CB-CB 3.8Å; F170-L209 HydrophobicContact CB-CD1 4.16Å; A204-L209 HydrophobicContact CB-CB 4.29Å; A204-L209 PolarHBondContact O-N 3.35Å; L207-L209 HydrophobicContact CB-CD1 3.94Å; L207-L209 HydrophobicContact CB-CG 4.08Å; L207-L209 HydrophobicContact CD1-CD1 4.12Å; L207-L209 PolarHBondContact O-N 2.7Å; L209-E213 HydrophobicContact CD2-CB 4.18Å; L209-E213 HydrophobicContact CD2-CG 4.33Å; L209-D215 HydrophobicContact CD2-CB 3.94Å; L209-D215 VanDerWaalsContact CD2-OD2 3.25Å; L209-D215 WeakPolarHBondContact CD2-OD2 3.39Å
210	K	97.7	Very high	97.9	Very high	127 Å²	127	46 Å²	46	55%	0.552	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-89.7	163.6	166.8	-58.1	-176.5	-149.9	77.4	0	111.1	F170 N212 E213 K230	F170-K210 VanDerWaalsContact CD1-C 3.5Å; F170-K210 WeakPolarHBondContact CD1-O 3.39Å; K210-N212 PolarHBondContact O-N 2.9Å; K210-E213 HydrophobicContact CB-CB 4.28Å; K210-E213 PolarHBondContact N-OE1 2.71Å; K210-E213 IonicContact NZ-OE1 2.82Å; K210-E213 IonicContact NZ-OE2 2.93Å; K210-E213 PolarHBondContact NZ-OE2 3.46Å; K210-E213 WeakPolarHBondContact O-CB 3.25Å; K210-E213 PolarHBondContact O-N 3.08Å; K210-K230 VanDerWaalsContact CB-NZ 3.34Å
211	M	97.9	Very high	97.9	Very high	79 Å²	79	43.7 Å²	43.7	39%	0.389	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	132.8	176.8	-177	62.8	65.2	0	0	111	F170 K172 E213	F170-M211 HydrophobicContact CD1-CB 4.49Å; F170-M211 HydrophobicContact CE1-CB 4.28Å; F170-M211 HydrophobicContact CE1-CE 3.77Å; F170-M211 HydrophobicContact CE1-SD 4.42Å; F170-M211 HydrophobicContact CE2-CE 4.08Å; F170-M211 HydrophobicContact CZ-CE 3.46Å; F170-M211 VanDerWaalsContact CZ-CE 3.46Å; F170-M211 HydrophobicContact CZ-SD 4.41Å; K172-M211 HydrophobicContact CB-CE 4.42Å; K172-M211 HydrophobicContact CB-SD 4.13Å; M211-E213 PolarHBondContact O-N 2.8Å
212	N	98.1	Very high	97.6	Very high	29 Å²	29	41.7 Å²	41.7	16%	0.155	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	19	-174.4	-49.5	-29.6	0	0	0	114.4	F170 Y178 K210 P231 Y232	F170-N212 WeakPolarHBondContact O-CA 3.39Å; F170-N212 PolarHBondContact O-N 3.31Å; Y178-N212 HydrophobicContact CD2-CB 4.43Å; Y178-N212 VanDerWaalsContact CD2-CG 3.43Å; Y178-N212 WeakPolarHBondContact CD2-ND2 3.5Å; Y178-N212 WeakPolarHBondContact CD2-OD1 3.3Å; Y178-N212 WeakPolarHBondContact CE2-ND2 3.29Å; K210-N212 PolarHBondContact O-N 2.9Å; N212-P231 HydrophobicContact CB-CB 4.39Å; N212-Y232 WeakPolarHBondContact O-CE2 3.43Å
213	E	98.5	Very high	97.5	Very high	17 Å²	17	47.9 Å²	47.9	8%	0.079	24%	0.235	C	C	.	.			trans	-82.3	139.5	169.4	-155.9	155.7	70.3	0	0	108.5	G169 F170 L209 K210 M211 K230	G169-E213 WeakPolarHBondContact CA-O 3.43Å; F170-E213 PolarHBondContact N-O 2.77Å; L209-E213 HydrophobicContact CD2-CB 4.18Å; L209-E213 HydrophobicContact CD2-CG 4.33Å; K210-E213 HydrophobicContact CB-CB 4.28Å; K210-E213 PolarHBondContact N-OE1 2.71Å; K210-E213 IonicContact NZ-OE1 2.82Å; K210-E213 IonicContact NZ-OE2 2.93Å; K210-E213 PolarHBondContact NZ-OE2 3.46Å; K210-E213 WeakPolarHBondContact O-CB 3.25Å; K210-E213 PolarHBondContact O-N 3.08Å; M211-E213 PolarHBondContact O-N 2.8Å; E213-K230 HydrophobicContact CB-CD 4.23Å; E213-K230 HydrophobicContact CG-CD 4.41Å; E213-K230 IonicContact OE2-NZ 3.7Å; E213-K230 PolarHBondContact OE2-NZ 2.96Å
214	V	98.7	Very high	97.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.8	170.8	174.6	0	0	0	0	106.7	L167 I168 F171 F182 I227 Y232	L167-V214 HydrophobicContact CB-CG1 4.39Å; L167-V214 HydrophobicContact CD2-CG1 4.02Å; I168-V214 WeakPolarHBondContact O-CA 3.28Å; F171-V214 HydrophobicContact CE1-CG2 4.37Å; F171-V214 HydrophobicContact CZ-CG2 3.84Å; F182-V214 HydrophobicContact CD2-CG1 4.19Å; F182-V214 HydrophobicContact CD2-CG2 3.77Å; F182-V214 HydrophobicContact CE2-CB 4.46Å; F182-V214 HydrophobicContact CE2-CG1 3.62Å; F182-V214 HydrophobicContact CE2-CG2 3.91Å; V214-I227 HydrophobicContact CB-CD1 4.12Å; V214-I227 HydrophobicContact CB-CG1 4.44Å; V214-I227 HydrophobicContact CG1-CD1 3.65Å; V214-I227 HydrophobicContact CG1-CG1 4.26Å; V214-I227 PolarHBondContact O-N 3.33Å; V214-Y232 HydrophobicContact CB-CD2 4.35Å; V214-Y232 HydrophobicContact CB-CE2 3.72Å; V214-Y232 HydrophobicContact CG2-CD2 3.93Å; V214-Y232 HydrophobicContact CG2-CE2 3.62Å; V214-Y232 PolarHBondContact N-OH 3.02Å
215	D	98.7	Very high	97.4	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.059	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.6	174.7	-77.3	-2.1	0	0	0	108.9	L167 I168 L209 Y217 P224 A226	L167-D215 CarbonylContact C-O 3.57Å; L167-D215 VanDerWaalsContact CA-O 3.31Å; L167-D215 WeakPolarHBondContact CA-O 3.35Å; I168-D215 HydrophobicContact CG2-CB 4.22Å; I168-D215 PolarHBondContact N-O 3.07Å; I168-D215 PolarHBondContact O-N 3.46Å; L209-D215 HydrophobicContact CD2-CB 3.94Å; L209-D215 VanDerWaalsContact CD2-OD2 3.25Å; L209-D215 WeakPolarHBondContact CD2-OD2 3.39Å; D215-Y217 HydrophobicContact CB-CD2 4.42Å; D215-Y217 HydrophobicContact CB-CE2 3.77Å; D215-P224 HydrophobicContact CB-CB 3.77Å; D215-P224 HydrophobicContact CB-CG 4.17Å; D215-A226 WeakPolarHBondContact OD1-CB 3.4Å
216	F	98.7	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.4	172.1	176.4	-85.1	0	0	0	108.8	I165 L167 E218 P224 I225 F240 V241 H244	I165-F216 HydrophobicContact CD1-CZ 4.41Å; I165-F216 HydrophobicContact CG1-CZ 4.38Å; I165-F216 HydrophobicContact CG2-CD2 4.06Å; I165-F216 HydrophobicContact CG2-CE1 4.37Å; I165-F216 HydrophobicContact CG2-CE2 3.25Å; I165-F216 HydrophobicContact CG2-CZ 3.44Å; I165-F216 VanDerWaalsContact CG2-CZ 3.44Å; L167-F216 HydrophobicContact CD1-CD2 3.94Å; L167-F216 HydrophobicContact CD1-CE2 4.36Å; L167-F216 HydrophobicContact CD2-CD2 4.19Å; L167-F216 HydrophobicContact CG-CB 4.48Å; L167-F216 HydrophobicContact CG-CD2 3.93Å; F216-E218 HydrophobicContact CE1-CB 4.03Å; F216-P224 CarbonylContact O-C 3.54Å; F216-P224 VanDerWaalsContact O-CA 3.27Å; F216-P224 WeakPolarHBondContact O-CA 3.46Å; F216-P224 WeakPolarHBondContact O-CB 3.33Å; F216-I225 PolarHBondContact N-O 3.01Å; F216-I225 PolarHBondContact O-N 3.32Å; F216-F240 HydrophobicContact CB-CD1 4.49Å; F216-F240 HydrophobicContact CB-CE1 3.73Å; F216-F240 HydrophobicContact CD1-CE1 4.36Å; F216-F240 HydrophobicContact CD2-CD1 4.43Å; F216-F240 HydrophobicContact CD2-CE1 4.15Å; F216-F240 AromaticContact CG-CE1 3.85Å; F216-F240 HydrophobicContact CG-CE1 3.85Å; F216-V241 HydrophobicContact CD2-CG2 4.3Å; F216-V241 HydrophobicContact CE2-CG1 4.49Å; F216-V241 HydrophobicContact CE2-CG2 4.37Å; F216-H244 HydrophobicContact CE1-CB 3.96Å; F216-H244 HydrophobicContact CE2-CB 4.39Å; F216-H244 HydrophobicContact CZ-CB 3.79Å; F216-H244 WeakPolarHBondContact CZ-O 3.32Å
217	Y	98.5	Very high	97.5	Very high	29 Å²	29	43.4 Å²	43.4	11%	0.114	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.1	174.7	-68.6	-105.4	0	0	0	107.8	F158 K166 I168 D215 P224	F158-Y217 HydrophobicContact CE1-CE2 4.2Å; F158-Y217 AromaticContact CZ-CD2 3.96Å; F158-Y217 HydrophobicContact CZ-CD2 3.96Å; F158-Y217 AromaticContact CZ-CE2 3.76Å; F158-Y217 HydrophobicContact CZ-CE2 3.76Å; K166-Y217 HydrophobicContact CG-CD2 4.36Å; K166-Y217 HydrophobicContact CG-CG 4.19Å; K166-Y217 PolarHBondContact N-O 3.41Å; K166-Y217 VanDerWaalsContact N-O 3.15Å; K166-Y217 PolarHBondContact O-N 3.18Å; I168-Y217 HydrophobicContact CG2-CD2 4.39Å; I168-Y217 HydrophobicContact CG2-CE2 3.69Å; D215-Y217 HydrophobicContact CB-CD2 4.42Å; D215-Y217 HydrophobicContact CB-CE2 3.77Å; Y217-P224 HydrophobicContact CD1-CB 3.96Å; Y217-P224 HydrophobicContact CD2-CB 3.84Å; Y217-P224 HydrophobicContact CE1-CB 3.73Å; Y217-P224 HydrophobicContact CE1-CG 3.91Å; Y217-P224 HydrophobicContact CE2-CB 3.55Å; Y217-P224 HydrophobicContact CE2-CG 4.09Å; Y217-P224 HydrophobicContact CG-CB 4.02Å
218	E	98.5	Very high	97.4	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.103	25%	0.251	C	S	.	.			trans	-68.4	143.3	165.4	-173.6	-179.5	154.5	0	0	109.6	F216 F220 M221 P247 T248 T296	F216-E218 HydrophobicContact CE1-CB 4.03Å; E218-F220 PolarHBondContact O-N 3.2Å; E218-M221 HydrophobicContact CB-CB 4.33Å; E218-M221 HydrophobicContact CB-CG 3.74Å; E218-M221 HydrophobicContact CG-CG 4.02Å; E218-M221 PolarHBondContact O-N 2.74Å; E218-M221 WeakPolarHBondContact OE1-CE 3.24Å; E218-P247 HydrophobicContact CG-CB 3.84Å; E218-P247 WeakPolarHBondContact OE1-CA 3.26Å; E218-T248 PolarHBondContact OE1-N 3.28Å; E218-T248 PolarHBondContact OE1-OG1 3.43Å; E218-T296 PolarHBondContact OE2-OG1 3.33Å
219	P	98.3	Very high	97.1	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.019	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	137.6	173.7	-29.5	33	0	0	0	112.7	E162 I165 M221 P247	E162-P219 CarbonylContact O-C 3.41Å; E162-P219 VanDerWaalsContact O-CA 3.24Å; E162-P219 WeakPolarHBondContact O-CA 3.48Å; I165-P219 VanDerWaalsContact CG1-CD 3.49Å; I165-P219 HydrophobicContact CG1-CG 3.88Å; P219-M221 PolarHBondContact O-N 3.44Å; P219-P247 HydrophobicContact CB-CB 4.46Å; P219-P247 HydrophobicContact CG-CB 4.06Å; P219-P247 HydrophobicContact CG-CG 3.75Å
220	F	98.1	Very high	96.7	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.022	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	0.1	175.2	-48.8	-69.4	0	0	0	116.4	E162 D163 E218 L249 K289 R293 W305	E162-F220 HydrophobicContact CB-CD1 4.28Å; E162-F220 HydrophobicContact CG-CD1 4.2Å; E162-F220 HydrophobicContact CG-CE1 4.06Å; E162-F220 PolarHBondContact O-N 2.82Å; D163-F220 HydrophobicContact CB-CE1 3.82Å; D163-F220 HydrophobicContact CB-CE2 4.38Å; D163-F220 HydrophobicContact CB-CZ 3.5Å; E218-F220 PolarHBondContact O-N 3.2Å; F220-L249 HydrophobicContact CB-CD2 4.24Å; F220-L249 HydrophobicContact CD2-CB 3.91Å; F220-L249 HydrophobicContact CD2-CD2 3.62Å; F220-L249 HydrophobicContact CD2-CG 3.59Å; F220-L249 WeakPolarHBondContact CD2-O 3.35Å; F220-L249 HydrophobicContact CE2-CD2 4.09Å; F220-L249 HydrophobicContact CE2-CG 3.85Å; F220-L249 HydrophobicContact CG-CD2 3.9Å; F220-L249 HydrophobicContact CG-CG 4.38Å; F220-K289 HydrophobicContact CB-CD 4.48Å; F220-K289 HydrophobicContact CB-CG 4Å; F220-K289 HydrophobicContact CD1-CD 4Å; F220-K289 HydrophobicContact CD1-CG 3.99Å; F220-K289 HydrophobicContact CG-CG 4.15Å; F220-R293 PolarHBondContact O-NE 2.74Å; F220-R293 PolarHBondContact O-NH2 2.95Å; F220-R293 VanDerWaalsContact O-NH2 3.08Å; F220-W305 HydrophobicContact CE1-CE3 4.43Å; F220-W305 HydrophobicContact CE1-CZ3 4.21Å; F220-W305 HydrophobicContact CE2-CE3 4.46Å; F220-W305 AromaticContact CZ-CE3 3.73Å; F220-W305 HydrophobicContact CZ-CE3 3.73Å; F220-W305 AromaticContact CZ-CZ3 3.79Å; F220-W305 HydrophobicContact CZ-CZ3 3.79Å
221	M	97.4	Very high	96.4	Very high	26 Å²	26	48.3 Å²	48.3	13%	0.128	26%	0.26	C	S	.	.			trans	-84	139.3	174.2	-55.6	-51.1	164	0	0	111.6	E218 P219 A292 R293	E218-M221 HydrophobicContact CB-CB 4.33Å; E218-M221 HydrophobicContact CB-CG 3.74Å; E218-M221 HydrophobicContact CG-CG 4.02Å; E218-M221 PolarHBondContact O-N 2.74Å; E218-M221 WeakPolarHBondContact OE1-CE 3.24Å; P219-M221 PolarHBondContact O-N 3.44Å; M221-A292 HydrophobicContact CE-CB 4.24Å; M221-R293 HydrophobicContact SD-CB 4.29Å; M221-R293 HydrophobicContact SD-CG 3.63Å
222	D	91.6	Very high	96.3	Very high	117 Å²	117	45.2 Å²	45.2	63%	0.626	24%	0.244	S	C	*	.	S	Bend	trans	-77.2	-35.5	-178.1	-72	-30.7	0	0	0	112.5	R293	D222-R293 IonicContact OD1-CZ 2.89Å; D222-R293 IonicContact OD1-NE 2.87Å; D222-R293 IonicContact OD1-NH2 3.66Å; D222-R293 IonicContact OD2-CZ 2.84Å; D222-R293 IonicContact OD2-NE 2.74Å
223	E	94.4	Very high	96.2	Very high	159 Å²	159	46.9 Å²	46.9	74%	0.743	26%	0.255	S	S	*	.	S	Bend	trans	-112.2	138.7	-174.7	-66.5	-69.4	156.2	0	0	110.8
224	P	97.4	Very high	96.2	Very high	35 Å²	35	48.3 Å²	48.3	23%	0.227	26%	0.262	C	S	.	.			trans	-79.3	162.6	176.7	32.1	-35	0	0	0	113.2	D215 F216 Y217	D215-P224 HydrophobicContact CB-CB 3.77Å; D215-P224 HydrophobicContact CB-CG 4.17Å; F216-P224 CarbonylContact O-C 3.54Å; F216-P224 VanDerWaalsContact O-CA 3.27Å; F216-P224 WeakPolarHBondContact O-CA 3.46Å; F216-P224 WeakPolarHBondContact O-CB 3.33Å; Y217-P224 HydrophobicContact CD1-CB 3.96Å; Y217-P224 HydrophobicContact CD2-CB 3.84Å; Y217-P224 HydrophobicContact CE1-CB 3.73Å; Y217-P224 HydrophobicContact CE1-CG 3.91Å; Y217-P224 HydrophobicContact CE2-CB 3.55Å; Y217-P224 HydrophobicContact CE2-CG 4.09Å; Y217-P224 HydrophobicContact CG-CB 4.02Å
225	I	97.6	Very high	96.1	Very high	70 Å²	70	54 Å²	54	36%	0.359	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.1	164.6	-51.6	173.3	0	0	0	108.3	F216 I227 F240	F216-I225 PolarHBondContact N-O 3.01Å; F216-I225 PolarHBondContact O-N 3.32Å; I225-I227 PolarHBondContact O-N 2.83Å; I225-F240 HydrophobicContact CB-CZ 4.38Å; I225-F240 HydrophobicContact CG2-CZ 3.79Å
226	A	97.8	Very high	96.1	Very high	50 Å²	50	57.6 Å²	57.6	41%	0.413	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122	172.7	0	0	0	0	0	109.8	D215	D215-A226 WeakPolarHBondContact OD1-CB 3.4Å
227	I	97.6	Very high	96.1	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.046	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-59.3	128.1	-179.3	-58.1	-174.3	0	0	0	109	L167 V214 I225 Y232 I237 F240	L167-I227 HydrophobicContact CD2-CD1 4.09Å; V214-I227 HydrophobicContact CB-CD1 4.12Å; V214-I227 HydrophobicContact CB-CG1 4.44Å; V214-I227 HydrophobicContact CG1-CD1 3.65Å; V214-I227 HydrophobicContact CG1-CG1 4.26Å; V214-I227 PolarHBondContact O-N 3.33Å; I225-I227 PolarHBondContact O-N 2.83Å; I227-Y232 HydrophobicContact CB-CD1 4.42Å; I227-Y232 HydrophobicContact CB-CE1 3.71Å; I227-Y232 HydrophobicContact CG2-CD1 3.78Å; I227-Y232 HydrophobicContact CG2-CE1 3.48Å; I227-Y232 VanDerWaalsContact CG2-CE1 3.48Å; I227-Y232 VanDerWaalsContact O-CE1 3.23Å; I227-Y232 WeakPolarHBondContact O-CE1 3.39Å; I227-Y232 PolarHBondContact O-OH 2.86Å; I227-I237 HydrophobicContact CD1-CG2 4.47Å; I227-F240 HydrophobicContact CD1-CB 4.48Å; I227-F240 HydrophobicContact CD1-CD1 3.8Å; I227-F240 HydrophobicContact CD1-CE1 4.35Å; I227-F240 HydrophobicContact CD1-CG 4.18Å; I227-F240 HydrophobicContact CG1-CD1 3.7Å; I227-F240 HydrophobicContact CG1-CD2 4.46Å; I227-F240 HydrophobicContact CG1-CE1 3.82Å; I227-F240 HydrophobicContact CG1-CG 4.05Å; I227-F240 HydrophobicContact CG1-CZ 4.25Å; I227-F240 HydrophobicContact CG2-CB 4.27Å; I227-F240 HydrophobicContact CG2-CD2 4.02Å; I227-F240 HydrophobicContact CG2-CG 3.98Å
228	P	94.6	Very high	96.1	Very high	74 Å²	74	57 Å²	57	48%	0.481	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	160.6	-174.7	29.4	-35.3	0	0	0	112.4	K230 Y232 F240	P228-K230 PolarHBondContact O-N 3.37Å; P228-Y232 VanDerWaalsContact O-CE1 3.3Å; P228-Y232 WeakPolarHBondContact O-CE1 3.36Å; P228-F240 HydrophobicContact CG-CE2 4.49Å
229	N	91.9	Very high	96.1	Very high	144 Å²	144	62.4 Å²	62.4	77%	0.77	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	28.9	168.8	-52.4	-47.3	0	0	0	118.1
230	K	89.5	Confident	96.1	Very high	74 Å²	74	63.1 Å²	63.1	32%	0.322	33%	0.332	S	S	.	.	S	Bend	trans	-54.3	151.9	176.3	79.6	-174.1	179.6	-179.4	0	115.4	K210 E213 P228 Y232	K210-K230 VanDerWaalsContact CB-NZ 3.34Å; E213-K230 HydrophobicContact CB-CD 4.23Å; E213-K230 HydrophobicContact CG-CD 4.41Å; E213-K230 IonicContact OE2-NZ 3.7Å; E213-K230 PolarHBondContact OE2-NZ 2.96Å; P228-K230 PolarHBondContact O-N 3.37Å; K230-Y232 VanDerWaalsContact CA-CE1 3.5Å; K230-Y232 HydrophobicContact CB-CD1 4.18Å; K230-Y232 HydrophobicContact CB-CD2 4.45Å; K230-Y232 HydrophobicContact CB-CE1 3.51Å; K230-Y232 HydrophobicContact CB-CE2 3.8Å; K230-Y232 WeakPolarHBondContact CB-OH 3.41Å
231	P	90.6	Very high	96.1	Very high	61 Å²	61	62.9 Å²	62.9	40%	0.396	33%	0.331	S	S	.	.	S	Bend	cis	-78.2	155.4	-1	33.5	-35	0	0	0	112.7	Y178 N212	Y178-P231 HydrophobicContact CD1-CB 3.45Å; Y178-P231 VanDerWaalsContact CD1-CB 3.45Å; Y178-P231 HydrophobicContact CD1-CG 4.18Å; Y178-P231 HydrophobicContact CE1-CB 3.27Å; Y178-P231 HydrophobicContact CE1-CG 3.47Å; Y178-P231 VanDerWaalsContact CE1-CG 3.47Å; Y178-P231 HydrophobicContact CE2-CB 4.44Å; Y178-P231 HydrophobicContact CG-CB 4.12Å; N212-P231 HydrophobicContact CB-CB 4.39Å
232	Y	95	Very high	96.1	Very high	15 Å²	15	67.5 Å²	67.5	6%	0.059	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-100.7	151.2	-169.1	-34.3	-77.6	0	0	0	112.9	N212 V214 I227 P228 K230 E236 I237	N212-Y232 WeakPolarHBondContact O-CE2 3.43Å; V214-Y232 HydrophobicContact CB-CD2 4.35Å; V214-Y232 HydrophobicContact CB-CE2 3.72Å; V214-Y232 HydrophobicContact CG2-CD2 3.93Å; V214-Y232 HydrophobicContact CG2-CE2 3.62Å; V214-Y232 PolarHBondContact N-OH 3.02Å; I227-Y232 HydrophobicContact CB-CD1 4.42Å; I227-Y232 HydrophobicContact CB-CE1 3.71Å; I227-Y232 HydrophobicContact CG2-CD1 3.78Å; I227-Y232 HydrophobicContact CG2-CE1 3.48Å; I227-Y232 VanDerWaalsContact CG2-CE1 3.48Å; I227-Y232 VanDerWaalsContact O-CE1 3.23Å; I227-Y232 WeakPolarHBondContact O-CE1 3.39Å; I227-Y232 PolarHBondContact O-OH 2.86Å; P228-Y232 VanDerWaalsContact O-CE1 3.3Å; P228-Y232 WeakPolarHBondContact O-CE1 3.36Å; K230-Y232 VanDerWaalsContact CA-CE1 3.5Å; K230-Y232 HydrophobicContact CB-CD1 4.18Å; K230-Y232 HydrophobicContact CB-CD2 4.45Å; K230-Y232 HydrophobicContact CB-CE1 3.51Å; K230-Y232 HydrophobicContact CB-CE2 3.8Å; K230-Y232 WeakPolarHBondContact CB-OH 3.41Å; Y232-E236 VanDerWaalsContact CA-OE2 3.25Å; Y232-E236 WeakPolarHBondContact CA-OE2 3.34Å; Y232-I237 HydrophobicContact CD2-CG1 4.48Å; Y232-I237 HydrophobicContact CG-CG1 4.22Å
233	T	97.6	Very high	96.3	Very high	63 Å²	63	69 Å²	69	39%	0.387	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-84.6	170.1	159.6	78.4	0	0	0	0	111.2	E235 E236 I237	T233-E235 VanDerWaalsContact C-N 3.3Å; T233-E235 WeakPolarHBondContact CB-OE2 3.29Å; T233-E235 PolarHBondContact O-N 3.12Å; T233-E235 PolarHBondContact OG1-N 2.92Å; T233-E235 PolarHBondContact OG1-OE2 3.45Å; T233-E236 PolarHBondContact N-OE2 3.45Å; T233-E236 PolarHBondContact O-N 3.34Å; T233-E236 PolarHBondContact OG1-N 3.47Å; T233-I237 PolarHBondContact O-N 3.21Å
234	E	97.6	Very high	96.4	Very high	48 Å²	48	64 Å²	64	22%	0.224	33%	0.33	C	S	.	.	H	α-helix	trans	-53.6	-50.3	171.4	177	-167.1	161.2	0	0	110.2	E184 A185 H188 E236 I237 V238	E184-E234 HydrophobicContact CB-CB 4.44Å; E184-E234 HydrophobicContact CB-CG 3.95Å; A185-E234 HydrophobicContact CB-CG 4.33Å; H188-E234 IonicContact CD2-OE1 2.72Å; H188-E234 IonicContact CE1-OE1 3.84Å; H188-E234 IonicContact NE2-OE1 3.51Å; H188-E234 PolarHBondContact NE2-OE1 2.94Å; E234-E236 PolarHBondContact O-N 2.95Å; E234-I237 PolarHBondContact O-N 3.36Å; E234-V238 HydrophobicContact CG-CG2 4.47Å; E234-V238 WeakPolarHBondContact O-CG2 3.38Å; E234-V238 PolarHBondContact O-N 3.48Å
235	E	97.6	Very high	96.3	Very high	119 Å²	119	66.1 Å²	66.1	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-65.7	-36.7	-175.5	-57.7	85.9	168.3	0	0	112.9	T233 I237 V238 E239	T233-E235 VanDerWaalsContact C-N 3.3Å; T233-E235 WeakPolarHBondContact CB-OE2 3.29Å; T233-E235 PolarHBondContact O-N 3.12Å; T233-E235 PolarHBondContact OG1-N 2.92Å; T233-E235 PolarHBondContact OG1-OE2 3.45Å; E235-I237 VanDerWaalsContact C-N 3.31Å; E235-I237 PolarHBondContact O-N 2.82Å; E235-V238 PolarHBondContact O-N 2.9Å; E235-E239 VanDerWaalsContact O-CB 3.29Å; E235-E239 WeakPolarHBondContact O-CB 3.49Å; E235-E239 PolarHBondContact O-N 3.38Å
236	E	98.1	Very high	96.2	Very high	86 Å²	86	66.7 Å²	66.7	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-35.8	177.2	-71.9	174.6	144.6	0	0	111.7	Y232 T233 E234 F240	Y232-E236 VanDerWaalsContact CA-OE2 3.25Å; Y232-E236 WeakPolarHBondContact CA-OE2 3.34Å; T233-E236 PolarHBondContact N-OE2 3.45Å; T233-E236 PolarHBondContact O-N 3.34Å; T233-E236 PolarHBondContact OG1-N 3.47Å; E234-E236 PolarHBondContact O-N 2.95Å; E236-F240 WeakPolarHBondContact O-CB 3.29Å; E236-F240 PolarHBondContact O-N 3.13Å
237	I	98.4	Very high	96.2	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-71.8	-45.4	175.1	-62.2	161.5	0	0	0	109.8	L167 F182 A185 F195 I227 Y232 T233 E234 E235 E239 F240 V241	L167-I237 HydrophobicContact CD2-CG2 4.3Å; F182-I237 HydrophobicContact CB-CD1 4.18Å; F182-I237 HydrophobicContact CD2-CD1 4.02Å; A185-I237 HydrophobicContact CB-CB 3.79Å; A185-I237 HydrophobicContact CB-CD1 4.2Å; A185-I237 HydrophobicContact CB-CG2 3.69Å; F195-I237 HydrophobicContact CE1-CG2 4.12Å; I227-I237 HydrophobicContact CD1-CG2 4.47Å; Y232-I237 HydrophobicContact CD2-CG1 4.48Å; Y232-I237 HydrophobicContact CG-CG1 4.22Å; T233-I237 PolarHBondContact O-N 3.21Å; E234-I237 PolarHBondContact O-N 3.36Å; E235-I237 VanDerWaalsContact C-N 3.31Å; E235-I237 PolarHBondContact O-N 2.82Å; I237-E239 PolarHBondContact O-N 3.47Å; I237-F240 PolarHBondContact O-N 3.41Å; I237-V241 HydrophobicContact CG2-CG2 4.36Å; I237-V241 WeakPolarHBondContact O-CG2 3.42Å; I237-V241 PolarHBondContact O-N 3.31Å
238	V	98.4	Very high	96.3	Very high	15 Å²	15	64.6 Å²	64.6	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-43.7	179.6	171.4	0	0	0	0	111.5	A185 H188 F189 E234 E235 V241 K242	A185-V238 HydrophobicContact CB-CG2 4Å; H188-V238 HydrophobicContact CB-CG2 4.26Å; F189-V238 HydrophobicContact CE2-CB 4.36Å; F189-V238 HydrophobicContact CE2-CG1 4.47Å; F189-V238 HydrophobicContact CE2-CG2 4Å; F189-V238 HydrophobicContact CZ-CB 4.27Å; F189-V238 HydrophobicContact CZ-CG1 3.99Å; F189-V238 HydrophobicContact CZ-CG2 4.34Å; E234-V238 HydrophobicContact CG-CG2 4.47Å; E234-V238 WeakPolarHBondContact O-CG2 3.38Å; E234-V238 PolarHBondContact O-N 3.48Å; E235-V238 PolarHBondContact O-N 2.9Å; V238-V241 PolarHBondContact O-N 2.64Å; V238-K242 HydrophobicContact CG1-CD 4.04Å; V238-K242 WeakPolarHBondContact O-CB 3.32Å; V238-K242 VanDerWaalsContact O-CG 3.31Å; V238-K242 WeakPolarHBondContact O-CG 3.38Å; V238-K242 PolarHBondContact O-N 2.99Å
239	E	98.1	Very high	96.4	Very high	135 Å²	135	61 Å²	61	63%	0.631	29%	0.294	S	S	*	.	H	α-helix	trans	-64.3	-44.4	178	-172.8	171	-162.5	0	0	111.1	E235 I237 V241 K242 E243	E235-E239 VanDerWaalsContact O-CB 3.29Å; E235-E239 WeakPolarHBondContact O-CB 3.49Å; E235-E239 PolarHBondContact O-N 3.38Å; I237-E239 PolarHBondContact O-N 3.47Å; E239-V241 PolarHBondContact O-N 3.33Å; E239-K242 PolarHBondContact O-N 3.07Å; E239-E243 WeakPolarHBondContact O-CB 3.2Å; E239-E243 PolarHBondContact O-N 3.41Å
240	F	98.4	Very high	96.7	Very high	18 Å²	18	55.1 Å²	55.1	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-47.2	177.1	-174.9	-85.3	0	0	0	112	F216 I225 I227 P228 E236 I237 K242 E243 H244	F216-F240 HydrophobicContact CB-CD1 4.49Å; F216-F240 HydrophobicContact CB-CE1 3.73Å; F216-F240 HydrophobicContact CD1-CE1 4.36Å; F216-F240 HydrophobicContact CD2-CD1 4.43Å; F216-F240 HydrophobicContact CD2-CE1 4.15Å; F216-F240 AromaticContact CG-CE1 3.85Å; F216-F240 HydrophobicContact CG-CE1 3.85Å; I225-F240 HydrophobicContact CB-CZ 4.38Å; I225-F240 HydrophobicContact CG2-CZ 3.79Å; I227-F240 HydrophobicContact CD1-CB 4.48Å; I227-F240 HydrophobicContact CD1-CD1 3.8Å; I227-F240 HydrophobicContact CD1-CE1 4.35Å; I227-F240 HydrophobicContact CD1-CG 4.18Å; I227-F240 HydrophobicContact CG1-CD1 3.7Å; I227-F240 HydrophobicContact CG1-CD2 4.46Å; I227-F240 HydrophobicContact CG1-CE1 3.82Å; I227-F240 HydrophobicContact CG1-CG 4.05Å; I227-F240 HydrophobicContact CG1-CZ 4.25Å; I227-F240 HydrophobicContact CG2-CB 4.27Å; I227-F240 HydrophobicContact CG2-CD2 4.02Å; I227-F240 HydrophobicContact CG2-CG 3.98Å; P228-F240 HydrophobicContact CG-CE2 4.49Å; E236-F240 WeakPolarHBondContact O-CB 3.29Å; E236-F240 PolarHBondContact O-N 3.13Å; I237-F240 PolarHBondContact O-N 3.41Å; F240-K242 VanDerWaalsContact C-N 3.34Å; F240-K242 PolarHBondContact O-N 2.87Å; F240-E243 PolarHBondContact O-N 2.84Å; F240-H244 AromaticContact CD1-ND1 4Å; F240-H244 AromaticContact CD2-CE1 3.83Å; F240-H244 AromaticContact CE1-ND1 3.81Å; F240-H244 AromaticContact CE2-CE1 3.43Å; F240-H244 VanDerWaalsContact CE2-CE1 3.43Å; F240-H244 WeakPolarHBondContact CE2-CE1 3.31Å; F240-H244 AromaticContact CE2-ND1 3.9Å; F240-H244 AromaticContact CE2-NE2 3.98Å; F240-H244 AromaticContact CZ-CE1 3.59Å; F240-H244 AromaticContact CZ-ND1 3.77Å; F240-H244 AromaticContact CZ-NE2 3.86Å; F240-H244 PolarHBondContact O-N 3.44Å; F240-H244 PolarHBondContact O-ND1 3.31Å
241	V	98.3	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-41.8	179.7	172.8	0	0	0	0	110.9	L167 F189 I193 F195 F216 I237 V238 E239 H244 Q245	L167-V241 HydrophobicContact CD1-CG2 4.06Å; L167-V241 HydrophobicContact CD2-CG2 3.65Å; L167-V241 HydrophobicContact CG-CG2 4.47Å; F189-V241 HydrophobicContact CD1-CG1 3.92Å; F189-V241 HydrophobicContact CD2-CG1 4.24Å; F189-V241 HydrophobicContact CE1-CB 4.09Å; F189-V241 HydrophobicContact CE1-CG1 3.5Å; F189-V241 VanDerWaalsContact CE1-CG1 3.5Å; F189-V241 HydrophobicContact CE2-CB 3.89Å; F189-V241 HydrophobicContact CE2-CG1 3.85Å; F189-V241 HydrophobicContact CE2-CG2 4.26Å; F189-V241 HydrophobicContact CG-CG1 4.27Å; F189-V241 HydrophobicContact CZ-CB 3.55Å; F189-V241 HydrophobicContact CZ-CG1 3.46Å; F189-V241 VanDerWaalsContact CZ-CG1 3.46Å; F189-V241 HydrophobicContact CZ-CG2 4.41Å; I193-V241 HydrophobicContact CD1-CG1 3.39Å; F195-V241 HydrophobicContact CZ-CG2 4.35Å; F216-V241 HydrophobicContact CD2-CG2 4.3Å; F216-V241 HydrophobicContact CE2-CG1 4.49Å; F216-V241 HydrophobicContact CE2-CG2 4.37Å; I237-V241 HydrophobicContact CG2-CG2 4.36Å; I237-V241 WeakPolarHBondContact O-CG2 3.42Å; I237-V241 PolarHBondContact O-N 3.31Å; V238-V241 PolarHBondContact O-N 2.64Å; E239-V241 PolarHBondContact O-N 3.33Å; V241-H244 CarbonylContact O-C 3.57Å; V241-H244 PolarHBondContact O-N 3.28Å; V241-Q245 WeakPolarHBondContact O-CA 3.17Å; V241-Q245 WeakPolarHBondContact O-CB 3.35Å; V241-Q245 PolarHBondContact O-N 3.1Å
242	K	97.4	Very high	97.5	Very high	123 Å²	123	50.8 Å²	50.8	54%	0.535	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-38.2	176.7	-75.7	178.6	177	-178.6	0	113	F189 V238 E239 F240 H244 Q245	F189-K242 HydrophobicContact CE1-CG 4.12Å; F189-K242 HydrophobicContact CZ-CG 4.29Å; V238-K242 HydrophobicContact CG1-CD 4.04Å; V238-K242 WeakPolarHBondContact O-CB 3.32Å; V238-K242 VanDerWaalsContact O-CG 3.31Å; V238-K242 WeakPolarHBondContact O-CG 3.38Å; V238-K242 PolarHBondContact O-N 2.99Å; E239-K242 PolarHBondContact O-N 3.07Å; F240-K242 VanDerWaalsContact C-N 3.34Å; F240-K242 PolarHBondContact O-N 2.87Å; K242-H244 PolarHBondContact O-N 2.88Å; K242-Q245 PolarHBondContact O-N 2.94Å
243	E	96.9	Very high	97.7	Very high	149 Å²	149	51.2 Å²	51.2	70%	0.696	24%	0.236	S	C	*	.	H	α-helix	trans	-64.5	-29.7	176.3	-175.2	176.6	-170.2	0	0	112.1	E239 F240	E239-E243 WeakPolarHBondContact O-CB 3.2Å; E239-E243 PolarHBondContact O-N 3.41Å; F240-E243 PolarHBondContact O-N 2.84Å
244	H	96.7	Very high	97.7	Very high	53 Å²	53	49.3 Å²	49.3	25%	0.245	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	20.2	-177.7	-56.6	74.7	0	0	0	112.4	F216 F240 V241 K242 R246	F216-H244 HydrophobicContact CE1-CB 3.96Å; F216-H244 HydrophobicContact CE2-CB 4.39Å; F216-H244 HydrophobicContact CZ-CB 3.79Å; F216-H244 WeakPolarHBondContact CZ-O 3.32Å; F240-H244 AromaticContact CD1-ND1 4Å; F240-H244 AromaticContact CD2-CE1 3.83Å; F240-H244 AromaticContact CE1-ND1 3.81Å; F240-H244 AromaticContact CE2-CE1 3.43Å; F240-H244 VanDerWaalsContact CE2-CE1 3.43Å; F240-H244 WeakPolarHBondContact CE2-CE1 3.31Å; F240-H244 AromaticContact CE2-ND1 3.9Å; F240-H244 AromaticContact CE2-NE2 3.98Å; F240-H244 AromaticContact CZ-CE1 3.59Å; F240-H244 AromaticContact CZ-ND1 3.77Å; F240-H244 AromaticContact CZ-NE2 3.86Å; F240-H244 PolarHBondContact O-N 3.44Å; F240-H244 PolarHBondContact O-ND1 3.31Å; V241-H244 CarbonylContact O-C 3.57Å; V241-H244 PolarHBondContact O-N 3.28Å; K242-H244 PolarHBondContact O-N 2.88Å; H244-R246 VanDerWaalsContact C-N 3.26Å; H244-R246 PolarHBondContact O-N 3.01Å
245	Q	93.4	Very high	97.7	Very high	80 Å²	80	49.1 Å²	49.1	37%	0.374	22%	0.224	S	C	.	.			trans	-74.1	-17	-172	-171.5	173	-13.7	0	0	113.1	V241 K242 P247	V241-Q245 WeakPolarHBondContact O-CA 3.17Å; V241-Q245 WeakPolarHBondContact O-CB 3.35Å; V241-Q245 PolarHBondContact O-N 3.1Å; K242-Q245 PolarHBondContact O-N 2.94Å; Q245-P247 VanDerWaalsContact O-CD 3.28Å; Q245-P247 WeakPolarHBondContact O-CD 3.38Å
246	R	96.9	Very high	97.6	Very high	83 Å²	83	44.4 Å²	44.4	31%	0.313	20%	0.202	S	C	.	.	S	Bend	trans	-101.1	102.9	177.7	-173.2	-179.2	-66.4	-144.8	16.2	110	H244 D263 D264	H244-R246 VanDerWaalsContact C-N 3.26Å; H244-R246 PolarHBondContact O-N 3.01Å; R246-D263 IonicContact CZ-OD1 3.2Å; R246-D263 IonicContact CZ-OD2 3.82Å; R246-D263 IonicContact NE-OD1 2.85Å; R246-D263 IonicContact NE-OD2 3.18Å; R246-D263 PolarHBondContact NE-OD2 3.49Å; R246-D263 PolarHBondContact NH1-O 3.33Å; R246-D263 IonicContact NH1-OD2 2.6Å; R246-D263 IonicContact NH2-OD1 3.07Å; R246-D263 PolarHBondContact NH2-OD1 3Å; R246-D263 IonicContact NH2-OD2 3.32Å; R246-D263 PolarHBondContact NH2-OD2 3.04Å; R246-D264 PolarHBondContact NH1-O 3.21Å; R246-D264 PolarHBondContact NH2-O 3.38Å
247	P	97.6	Very high	97.5	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.052	19%	0.187	C	C	.	.			trans	-71.5	156.2	176.6	-17.9	34.3	0	0	0	112.2	I165 E218 P219 Q245 L249 R250 S302	I165-P247 HydrophobicContact CD1-CG 4.13Å; I165-P247 HydrophobicContact CG1-CG 4.17Å; E218-P247 HydrophobicContact CG-CB 3.84Å; E218-P247 WeakPolarHBondContact OE1-CA 3.26Å; P219-P247 HydrophobicContact CB-CB 4.46Å; P219-P247 HydrophobicContact CG-CB 4.06Å; P219-P247 HydrophobicContact CG-CG 3.75Å; Q245-P247 VanDerWaalsContact O-CD 3.28Å; Q245-P247 WeakPolarHBondContact O-CD 3.38Å; P247-L249 VanDerWaalsContact C-N 3.33Å; P247-L249 WeakPolarHBondContact CB-O 3.36Å; P247-R250 HydrophobicContact CB-CB 4.32Å; P247-R250 HydrophobicContact CG-CB 4.19Å; P247-S302 PolarHBondContact O-OG 3.47Å
248	T	98.3	Very high	97.4	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-65.1	-37	171	-50.8	0	0	0	0	111.8	E218 A292 T296 L301 S302 I303	E218-T248 PolarHBondContact OE1-N 3.28Å; E218-T248 PolarHBondContact OE1-OG1 3.43Å; T248-A292 HydrophobicContact CG2-CB 4.05Å; T248-T296 WeakPolarHBondContact OG1-CA 3.31Å; T248-L301 HydrophobicContact CG2-CB 4.48Å; T248-L301 HydrophobicContact CG2-CD2 3.76Å; T248-L301 HydrophobicContact CG2-CG 3.92Å; T248-S302 CarbonylContact O-C 3.45Å; T248-S302 WeakPolarHBondContact O-CA 3.18Å; T248-I303 PolarHBondContact O-N 2.85Å
249	L	98.7	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120	170.5	178.8	64.7	0	0	0	109	F220 P247 L288 K289 A292 I303 W305	F220-L249 HydrophobicContact CB-CD2 4.24Å; F220-L249 HydrophobicContact CD2-CB 3.91Å; F220-L249 HydrophobicContact CD2-CD2 3.62Å; F220-L249 HydrophobicContact CD2-CG 3.59Å; F220-L249 WeakPolarHBondContact CD2-O 3.35Å; F220-L249 HydrophobicContact CE2-CD2 4.09Å; F220-L249 HydrophobicContact CE2-CG 3.85Å; F220-L249 HydrophobicContact CG-CD2 3.9Å; F220-L249 HydrophobicContact CG-CG 4.38Å; P247-L249 VanDerWaalsContact C-N 3.33Å; P247-L249 WeakPolarHBondContact CB-O 3.36Å; L249-L288 HydrophobicContact CD2-CB 4.22Å; L249-K289 HydrophobicContact CD2-CG 4Å; L249-A292 HydrophobicContact CB-CB 3.6Å; L249-A292 HydrophobicContact CD2-CB 4.3Å; L249-I303 WeakPolarHBondContact CA-O 3.44Å; L249-I303 HydrophobicContact CD1-CB 3.85Å; L249-I303 HydrophobicContact CD1-CG2 3.84Å; L249-W305 HydrophobicContact CD1-CB 3.98Å
250	R	98.1	Very high	97.1	Very high	19 Å²	19	42.6 Å²	42.6	7%	0.072	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.7	-178.5	55.6	-178.2	-179.9	-176.8	-1.8	110.6	P247 D263 H269 S302 I303 L304 W305	P247-R250 HydrophobicContact CB-CB 4.32Å; P247-R250 HydrophobicContact CG-CB 4.19Å; R250-D263 IonicContact CZ-OD2 3.06Å; R250-D263 IonicContact NH1-OD2 2.66Å; R250-D263 PolarHBondContact NH1-OD2 2.74Å; R250-D263 PolarHBondContact NH2-O 3.47Å; R250-D263 IonicContact NH2-OD2 3.24Å; R250-H269 PolarHBondContact NH2-CE1 3.15Å; R250-S302 PolarHBondContact NE-OG 2.9Å; R250-I303 PolarHBondContact N-O 2.9Å; R250-L304 HydrophobicContact CG-CD1 4.04Å; R250-L304 CarbonylContact O-C 3.56Å; R250-L304 WeakPolarHBondContact O-CA 3.31Å; R250-W305 PolarHBondContact O-N 2.79Å
251	R	98.4	Very high	97.1	Very high	40 Å²	40	45.1 Å²	45.1	15%	0.151	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.5	176.2	-178	-178.9	180	163.4	3.4	109.1	D163 R253 W305 D310	D163-R251 IonicContact OD2-CZ 2.76Å; D163-R251 IonicContact OD2-NH1 3.64Å; D163-R251 PolarHBondContact OD2-NH1 3.35Å; R251-R253 HydrophobicContact CG-CG 4.21Å; R251-R253 PolarHBondContact O-N 3.33Å; R251-W305 CarbonylContact C-O 3.51Å; R251-W305 WeakPolarHBondContact CA-O 3.35Å; R251-W305 HydrophobicContact CB-CE3 3.92Å; R251-W305 HydrophobicContact CB-CZ3 4.22Å; R251-W305 HydrophobicContact CG-CE3 3.93Å; R251-W305 HydrophobicContact CG-CZ3 3.98Å; R251-D310 IonicContact CZ-OD2 2.73Å; R251-D310 IonicContact NE-OD2 3.55Å; R251-D310 PolarHBondContact NE-OD2 3.33Å; R251-D310 VanDerWaalsContact NH2-CG 3.32Å; R251-D310 IonicContact NH2-OD1 3.39Å; R251-D310 PolarHBondContact NH2-OD1 2.71Å; R251-D310 IonicContact NH2-OD2 3.52Å; R251-D310 PolarHBondContact NH2-OD2 3.36Å
252	L	98.4	Very high	97	Very high	4 Å²	4	51 Å²	51	2%	0.021	23%	0.229	C	C	.	.			trans	-70.9	124.3	167.1	-168.4	67.3	0	0	0	108.9	M257 T260 L304 W305 I306 F311	L252-M257 HydrophobicContact CD1-CB 3.97Å; L252-M257 HydrophobicContact CG-CB 4.23Å; L252-T260 HydrophobicContact CD1-CG2 3.9Å; L252-L304 HydrophobicContact CB-CD1 3.8Å; L252-L304 HydrophobicContact CB-CG 4.25Å; L252-L304 HydrophobicContact CD1-CD1 4.12Å; L252-L304 HydrophobicContact CD1-CD2 4.19Å; L252-W305 PolarHBondContact N-O 3.01Å; L252-I306 HydrophobicContact CB-CG1 3.84Å; L252-I306 HydrophobicContact CD2-CD1 3.71Å; L252-I306 HydrophobicContact CD2-CG1 3.86Å; L252-I306 HydrophobicContact CD2-CG2 4.32Å; L252-F311 HydrophobicContact CB-CE2 4.22Å; L252-F311 HydrophobicContact CB-CZ 4.36Å; L252-F311 HydrophobicContact CD2-CE2 4.02Å; L252-F311 HydrophobicContact CD2-CZ 3.96Å; L252-F311 HydrophobicContact CG-CE2 4.06Å; L252-F311 HydrophobicContact CG-CZ 3.8Å; L252-F311 WeakPolarHBondContact O-CE2 3.41Å
253	R	97.9	Very high	96.9	Very high	24 Å²	24	48 Å²	48	9%	0.091	22%	0.219	C	C	.	.			trans	-123.4	141.4	-177.2	-72.9	-178.9	-76.2	-133.3	-8.8	111.3	D163 H164 R251 E255 E256 M257	D163-R253 PolarHBondContact O-NH1 3.13Å; H164-R253 PolarHBondContact CD2-NH1 3.47Å; H164-R253 PolarHBondContact CE1-NH1 3Å; H164-R253 PolarHBondContact ND1-NH1 2.91Å; H164-R253 VanDerWaalsContact ND1-NH1 3.18Å; H164-R253 PolarHBondContact NE2-NH1 2.96Å; R251-R253 HydrophobicContact CG-CG 4.21Å; R251-R253 PolarHBondContact O-N 3.33Å; R253-E255 HydrophobicContact CB-CG 4.48Å; R253-E255 WeakPolarHBondContact CD-OE1 3.37Å; R253-E255 PolarHBondContact O-N 2.99Å; R253-E255 VanDerWaalsContact O-N 3.16Å; R253-E256 HydrophobicContact CB-CG 4.13Å; R253-E256 IonicContact CZ-OE1 2.85Å; R253-E256 IonicContact NE-OE1 2.81Å; R253-E256 PolarHBondContact NE-OE1 3.39Å; R253-E256 IonicContact NH2-OE1 2.8Å; R253-E256 PolarHBondContact NH2-OE1 2.79Å; R253-E256 CarbonylContact O-C 3.58Å; R253-E256 PolarHBondContact O-N 3.2Å; R253-M257 VanDerWaalsContact O-CA 3.31Å; R253-M257 WeakPolarHBondContact O-CA 3.41Å; R253-M257 VanDerWaalsContact O-CB 3.29Å; R253-M257 WeakPolarHBondContact O-CB 3.36Å; R253-M257 PolarHBondContact O-N 3.07Å
254	P	98.1	Very high	96.9	Very high	23 Å²	23	43.5 Å²	43.5	15%	0.149	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-54.8	-35.3	-177.5	-27.7	35.7	0	0	0	114.3	G127 E128 V133 E256 F311	G127-P254 CarbonylContact C-O 3.58Å; G127-P254 WeakPolarHBondContact CA-O 3.29Å; E128-P254 HydrophobicContact CB-CB 4.37Å; E128-P254 PolarHBondContact N-O 3Å; V133-P254 HydrophobicContact CG1-CB 4.07Å; V133-P254 HydrophobicContact CG2-CB 3.72Å; P254-E256 VanDerWaalsContact C-N 3.31Å; P254-E256 PolarHBondContact O-N 3.17Å; P254-F311 HydrophobicContact CB-CE1 4.37Å; P254-F311 HydrophobicContact CG-CE1 4Å; P254-F311 HydrophobicContact CG-CZ 4.08Å
255	E	96.8	Very high	96.7	Very high	44 Å²	44	42.6 Å²	42.6	21%	0.206	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-72.3	-16.6	-176.3	63.6	-89.9	-152	0	0	115.4	F125 G127 V133 R253	F125-E255 HydrophobicContact CE2-CB 4.31Å; F125-E255 WeakPolarHBondContact CE2-O 3.36Å; G127-E255 WeakPolarHBondContact CA-O 3.49Å; V133-E255 HydrophobicContact CG1-CB 4.27Å; R253-E255 HydrophobicContact CB-CG 4.48Å; R253-E255 WeakPolarHBondContact CD-OE1 3.37Å; R253-E255 PolarHBondContact O-N 2.99Å; R253-E255 VanDerWaalsContact O-N 3.16Å
256	E	95.4	Very high	96.6	Very high	20 Å²	20	46.1 Å²	46.1	9%	0.093	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-143	22.4	-176	62	-176.6	-163.9	0	0	112.1	D126 Y192 R253 P254 F258 E259 T260	D126-E256 CarbonylContact O-C 3.59Å; Y192-E256 HydrophobicContact CD1-CB 4.03Å; Y192-E256 VanDerWaalsContact CD1-OE2 3.28Å; Y192-E256 WeakPolarHBondContact CD1-OE2 3.4Å; Y192-E256 HydrophobicContact CE1-CB 3.95Å; R253-E256 HydrophobicContact CB-CG 4.13Å; R253-E256 IonicContact CZ-OE1 2.85Å; R253-E256 IonicContact NE-OE1 2.81Å; R253-E256 PolarHBondContact NE-OE1 3.39Å; R253-E256 IonicContact NH2-OE1 2.8Å; R253-E256 PolarHBondContact NH2-OE1 2.79Å; R253-E256 CarbonylContact O-C 3.58Å; R253-E256 PolarHBondContact O-N 3.2Å; P254-E256 VanDerWaalsContact C-N 3.31Å; P254-E256 PolarHBondContact O-N 3.17Å; E256-F258 VanDerWaalsContact C-N 3.29Å; E256-F258 PolarHBondContact O-N 3.16Å; E256-E259 PolarHBondContact O-N 3.14Å; E256-T260 WeakPolarHBondContact O-CB 3.28Å; E256-T260 PolarHBondContact O-N 3.06Å; E256-T260 PolarHBondContact O-OG1 2.82Å
257	M	96.6	Very high	96.4	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-33.6	-170.4	64.7	-180	-58.8	0	0	113.2	D126 E128 L252 R253 W261 F311 L314	D126-M257 PolarHBondContact O-N 3.32Å; E128-M257 HydrophobicContact CB-SD 3.81Å; E128-M257 HydrophobicContact CG-SD 4.49Å; L252-M257 HydrophobicContact CD1-CB 3.97Å; L252-M257 HydrophobicContact CG-CB 4.23Å; R253-M257 VanDerWaalsContact O-CA 3.31Å; R253-M257 WeakPolarHBondContact O-CA 3.41Å; R253-M257 VanDerWaalsContact O-CB 3.29Å; R253-M257 WeakPolarHBondContact O-CB 3.36Å; R253-M257 PolarHBondContact O-N 3.07Å; M257-W261 VanDerWaalsContact O-CB 3.31Å; M257-W261 WeakPolarHBondContact O-CB 3.41Å; M257-W261 PolarHBondContact O-N 3.46Å; M257-W261 VanDerWaalsContact O-N 3.15Å; M257-F311 HydrophobicContact CB-CE1 4.29Å; M257-F311 HydrophobicContact CB-CZ 4.48Å; M257-F311 HydrophobicContact CE-CD1 4.09Å; M257-F311 HydrophobicContact CE-CE1 3.76Å; M257-F311 HydrophobicContact SD-CE1 3.9Å; M257-L314 HydrophobicContact CE-CD1 3.84Å
258	F	96.1	Very high	96.3	Very high	93 Å²	93	44.9 Å²	44.9	41%	0.408	22%	0.221	S	C	.	.	H	α-helix	trans	-78	-44.4	-179.8	-63.5	-63.7	0	0	0	110.1	D126 G127 E256 T260 W261 E262	D126-F258 VanDerWaalsContact CG-CB 3.49Å; D126-F258 WeakPolarHBondContact O-CB 3.24Å; D126-F258 PolarHBondContact O-N 2.93Å; D126-F258 VanDerWaalsContact O-N 3.1Å; D126-F258 WeakPolarHBondContact OD1-CB 3.35Å; G127-F258 VanDerWaalsContact O-CE2 3.32Å; G127-F258 WeakPolarHBondContact O-CE2 3.26Å; E256-F258 VanDerWaalsContact C-N 3.29Å; E256-F258 PolarHBondContact O-N 3.16Å; F258-T260 PolarHBondContact O-N 2.84Å; F258-W261 CarbonylContact O-C 3.5Å; F258-W261 PolarHBondContact O-N 3.29Å; F258-E262 WeakPolarHBondContact O-CB 3.37Å; F258-E262 WeakPolarHBondContact O-CG 3.26Å; F258-E262 PolarHBondContact O-N 2.97Å
259	E	94.9	Very high	96.3	Very high	77 Å²	77	44.8 Å²	44.8	36%	0.36	22%	0.22	S	C	.	.	H	α-helix	trans	-54.8	-44.6	174.7	180	175.2	-175.9	0	0	110.7	D126 E256 W261 D263	D126-E259 HydrophobicContact CB-CB 4.21Å; D126-E259 VanDerWaalsContact OD2-CA 3.31Å; D126-E259 WeakPolarHBondContact OD2-CA 3.44Å; D126-E259 PolarHBondContact OD2-N 3.42Å; E256-E259 PolarHBondContact O-N 3.14Å; E259-W261 PolarHBondContact O-N 3.22Å; E259-D263 WeakPolarHBondContact O-CB 3.44Å; E259-D263 PolarHBondContact O-N 3.35Å
260	T	96.8	Very high	96.3	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-38	178.3	-56.3	0	0	0	0	112.7	L252 E256 F258 H269 L304	L252-T260 HydrophobicContact CD1-CG2 3.9Å; E256-T260 WeakPolarHBondContact O-CB 3.28Å; E256-T260 PolarHBondContact O-N 3.06Å; E256-T260 PolarHBondContact O-OG1 2.82Å; F258-T260 PolarHBondContact O-N 2.84Å; T260-H269 PolarHBondContact O-CE1 3.02Å; T260-L304 HydrophobicContact CG2-CD1 3.42Å; T260-L304 VanDerWaalsContact CG2-CD1 3.42Å
261	W	97.4	Very high	96.3	Very high	71 Å²	71	44.3 Å²	44.3	27%	0.269	22%	0.219	S	C	.	.	H	α-helix	trans	-77.8	-30.8	-179	-169.8	-92.7	0	0	0	112.8	M257 F258 E259 D263 H269 V271 L304 V334	M257-W261 VanDerWaalsContact O-CB 3.31Å; M257-W261 WeakPolarHBondContact O-CB 3.41Å; M257-W261 PolarHBondContact O-N 3.46Å; M257-W261 VanDerWaalsContact O-N 3.15Å; F258-W261 CarbonylContact O-C 3.5Å; F258-W261 PolarHBondContact O-N 3.29Å; E259-W261 PolarHBondContact O-N 3.22Å; W261-D263 VanDerWaalsContact C-N 3.31Å; W261-H269 PolarHBondContact O-NE2 3.43Å; W261-V271 HydrophobicContact CH2-CG2 4.36Å; W261-V271 HydrophobicContact CZ3-CG2 4.14Å; W261-L304 HydrophobicContact CE3-CD2 3.77Å; W261-L304 HydrophobicContact CZ3-CD2 3.92Å; W261-V334 HydrophobicContact CH2-CB 4.3Å; W261-V334 HydrophobicContact CH2-CG1 3.98Å; W261-V334 HydrophobicContact CZ2-CG1 4.07Å
262	E	95.8	Very high	96.3	Very high	123 Å²	123	42.4 Å²	42.4	58%	0.575	21%	0.212	S	C	*	.	H	α-helix	trans	-76.2	-21.8	175.2	-68.2	-173.1	176.6	0	0	112.5	F258 D264	F258-E262 WeakPolarHBondContact O-CB 3.37Å; F258-E262 WeakPolarHBondContact O-CG 3.26Å; F258-E262 PolarHBondContact O-N 2.97Å; E262-D264 PolarHBondContact O-N 2.85Å
263	D	96.3	Very high	96.3	Very high	60 Å²	60	42.2 Å²	42.2	32%	0.321	21%	0.211	S	C	.	.	S	Bend	trans	-80.4	57.4	176.7	-168.5	53.5	0	0	0	112.2	R246 R250 E259 W261 H269	R246-D263 IonicContact CZ-OD1 3.2Å; R246-D263 IonicContact CZ-OD2 3.82Å; R246-D263 IonicContact NE-OD1 2.85Å; R246-D263 IonicContact NE-OD2 3.18Å; R246-D263 PolarHBondContact NE-OD2 3.49Å; R246-D263 PolarHBondContact NH1-O 3.33Å; R246-D263 IonicContact NH1-OD2 2.6Å; R246-D263 IonicContact NH2-OD1 3.07Å; R246-D263 PolarHBondContact NH2-OD1 3Å; R246-D263 IonicContact NH2-OD2 3.32Å; R246-D263 PolarHBondContact NH2-OD2 3.04Å; R250-D263 IonicContact CZ-OD2 3.06Å; R250-D263 IonicContact NH1-OD2 2.66Å; R250-D263 PolarHBondContact NH1-OD2 2.74Å; R250-D263 PolarHBondContact NH2-O 3.47Å; R250-D263 IonicContact NH2-OD2 3.24Å; E259-D263 WeakPolarHBondContact O-CB 3.44Å; E259-D263 PolarHBondContact O-N 3.35Å; W261-D263 VanDerWaalsContact C-N 3.31Å; D263-H269 PolarHBondContact O-CE1 3.47Å
264	D	95.7	Very high	96.3	Very high	54 Å²	54	41.1 Å²	41.1	29%	0.289	21%	0.207	S	C	.	.			trans	-70.6	163.7	-179.3	74.5	78.6	0	0	0	114	R246 E262 N266 G267 H269 V336	R246-D264 PolarHBondContact NH1-O 3.21Å; R246-D264 PolarHBondContact NH2-O 3.38Å; E262-D264 PolarHBondContact O-N 2.85Å; D264-N266 PolarHBondContact OD1-N 3.33Å; D264-G267 VanDerWaalsContact OD1-CA 3.29Å; D264-G267 WeakPolarHBondContact OD1-CA 3.23Å; D264-G267 PolarHBondContact OD1-N 2.98Å; D264-H269 VanDerWaalsContact CA-CE1 3.49Å; D264-H269 WeakPolarHBondContact CA-CE1 3.49Å; D264-V336 HydrophobicContact CB-CG1 3.93Å; D264-V336 HydrophobicContact CB-CG2 4.25Å
265	L	92.8	Very high	96.3	Very high	35 Å²	35	42.5 Å²	42.5	18%	0.183	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-110.6	104.5	168.6	-74.7	174.7	0	0	0	109.1	G267 I268 D300	L265-G267 VanDerWaalsContact C-N 3.26Å; L265-G267 PolarHBondContact O-N 2.9Å; L265-I268 PolarHBondContact N-O 3.3Å; L265-I268 WeakPolarHBondContact O-CG1 3.4Å; L265-I268 PolarHBondContact O-N 2.92Å; L265-D300 WeakPolarHBondContact CD1-O 3.49Å
266	N	90.6	Very high	96.2	Very high	154 Å²	154	43.6 Å²	43.6	82%	0.824	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	35.4	176.8	-56.7	-54.5	0	0	0	114.1	D264	D264-N266 PolarHBondContact OD1-N 3.33Å
267	G	93.2	Very high	96.3	Very high	19 Å²	19	47 Å²	47	20%	0.196	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	4.4	178.8	0	0	0	0	0	114.9	D264 L265 N335 V336	D264-G267 VanDerWaalsContact OD1-CA 3.29Å; D264-G267 WeakPolarHBondContact OD1-CA 3.23Å; D264-G267 PolarHBondContact OD1-N 2.98Å; L265-G267 VanDerWaalsContact C-N 3.26Å; L265-G267 PolarHBondContact O-N 2.9Å; G267-N335 PolarHBondContact O-OD1 2.92Å; G267-V336 WeakPolarHBondContact O-CG2 3.34Å; G267-V336 PolarHBondContact O-N 2.95Å
268	I	95.4	Very high	96.3	Very high	46 Å²	46	48.3 Å²	48.3	24%	0.236	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.5	-178.6	62.9	164.4	0	0	0	112.7	L265 V333 V334 V365	L265-I268 PolarHBondContact N-O 3.3Å; L265-I268 WeakPolarHBondContact O-CG1 3.4Å; L265-I268 PolarHBondContact O-N 2.92Å; I268-V333 HydrophobicContact CB-CG1 3.82Å; I268-V333 HydrophobicContact CD1-CG1 3.77Å; I268-V333 HydrophobicContact CG1-CG1 4.36Å; I268-V333 HydrophobicContact CG2-CG1 4.03Å; I268-V334 CarbonylContact C-O 3.58Å; I268-V334 VanDerWaalsContact CA-O 3.3Å; I268-V334 WeakPolarHBondContact CA-O 3.25Å; I268-V365 HydrophobicContact CD1-CG1 4.44Å
269	H	98.1	Very high	96.2	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139	161.6	-73.2	-71	0	0	0	110.3	R250 T260 W261 D263 D264 V271 V333 V334 V336	R250-H269 PolarHBondContact NH2-CE1 3.15Å; T260-H269 PolarHBondContact O-CE1 3.02Å; W261-H269 PolarHBondContact O-NE2 3.43Å; D263-H269 PolarHBondContact O-CE1 3.47Å; D264-H269 VanDerWaalsContact CA-CE1 3.49Å; D264-H269 WeakPolarHBondContact CA-CE1 3.49Å; H269-V271 HydrophobicContact CB-CG2 3.76Å; H269-V333 CarbonylContact O-C 3.58Å; H269-V333 WeakPolarHBondContact O-CA 3.38Å; H269-V334 PolarHBondContact N-O 3.13Å; H269-V334 PolarHBondContact O-N 2.81Å; H269-V336 VanDerWaalsContact CD2-CG1 3.41Å; H269-V336 WeakPolarHBondContact CD2-CG1 3.31Å
270	I	98.4	Very high	96.3	Very high	7 Å²	7	47 Å²	47	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.4	160.3	-58.7	176	0	0	0	106.4	L301 I303 L304 I331 G332 W361 I362 V365 L366	I270-L301 HydrophobicContact CD1-CD1 3.86Å; I270-I303 HydrophobicContact CG2-CG1 4.23Å; I270-I303 HydrophobicContact CG2-CG2 4.3Å; I270-I303 WeakPolarHBondContact O-CA 3.43Å; I270-L304 PolarHBondContact O-N 3.41Å; I270-I331 HydrophobicContact CG2-CD1 3.99Å; I270-I331 HydrophobicContact CG2-CG1 4.12Å; I270-G332 CarbonylContact C-O 3.58Å; I270-G332 WeakPolarHBondContact CA-O 3.37Å; I270-W361 HydrophobicContact CG2-CZ3 4.4Å; I270-I362 HydrophobicContact CD1-CG2 4.14Å; I270-V365 HydrophobicContact CD1-CG1 4.13Å; I270-V365 HydrophobicContact CG1-CG1 4.22Å; I270-L366 HydrophobicContact CD1-CD2 4.31Å
271	V	98.6	Very high	96.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.7	-174.6	-179.6	0	0	0	0	109.5	W261 H269 F273 L304 I306 I331 G332 V334 W343	W261-V271 HydrophobicContact CH2-CG2 4.36Å; W261-V271 HydrophobicContact CZ3-CG2 4.14Å; H269-V271 HydrophobicContact CB-CG2 3.76Å; V271-F273 HydrophobicContact CG1-CD2 4.25Å; V271-F273 HydrophobicContact CG1-CE2 3.9Å; V271-F273 HydrophobicContact CG1-CZ 4.23Å; V271-L304 WeakPolarHBondContact CA-O 3.29Å; V271-I306 HydrophobicContact CG1-CD1 3.6Å; V271-I306 HydrophobicContact CG1-CG1 4.13Å; V271-I331 CarbonylContact O-C 3.4Å; V271-I331 VanDerWaalsContact O-CA 3.31Å; V271-I331 WeakPolarHBondContact O-CA 3.46Å; V271-G332 PolarHBondContact N-O 2.74Å; V271-G332 PolarHBondContact O-N 2.74Å; V271-V334 HydrophobicContact CB-CG2 4.3Å; V271-V334 HydrophobicContact CG2-CB 4.29Å; V271-V334 HydrophobicContact CG2-CG2 3.87Å; V271-W343 HydrophobicContact CB-CH2 4.23Å; V271-W343 HydrophobicContact CG1-CH2 4.23Å
272	A	98.7	Very high	96.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.2	173.4	0	0	0	0	0	110.6	F284 L288 I303 L304 W305 I306 Q330 I331	A272-F284 HydrophobicContact CB-CE1 4.37Å; A272-L288 HydrophobicContact CB-CD1 3.61Å; A272-L288 HydrophobicContact CB-CD2 3.94Å; A272-L288 HydrophobicContact CB-CG 4.47Å; A272-I303 HydrophobicContact CB-CG2 4.13Å; A272-L304 PolarHBondContact N-O 2.71Å; A272-W305 CarbonylContact O-C 3.53Å; A272-W305 WeakPolarHBondContact O-CA 3.48Å; A272-I306 PolarHBondContact O-N 3.08Å; A272-Q330 CarbonylContact C-O 3.6Å; A272-Q330 VanDerWaalsContact CA-O 3.23Å; A272-Q330 WeakPolarHBondContact CA-O 3.41Å; A272-I331 HydrophobicContact CB-CB 4.35Å; A272-I331 HydrophobicContact CB-CD1 4.39Å; A272-I331 HydrophobicContact CB-CG1 4.09Å
273	F	98.6	Very high	96.3	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.9	170.6	-70.1	-80.1	0	0	0	109.8	V271 I306 P308 W318 F322 I324 L326 P329 Q330 W343	V271-F273 HydrophobicContact CG1-CD2 4.25Å; V271-F273 HydrophobicContact CG1-CE2 3.9Å; V271-F273 HydrophobicContact CG1-CZ 4.23Å; F273-I306 WeakPolarHBondContact CA-O 3.39Å; F273-I306 HydrophobicContact CD1-CB 3.7Å; F273-I306 HydrophobicContact CD1-CG2 3.91Å; F273-I306 HydrophobicContact CE1-CB 3.72Å; F273-I306 HydrophobicContact CE1-CD1 3.8Å; F273-I306 HydrophobicContact CE1-CG1 4.3Å; F273-I306 HydrophobicContact CE1-CG2 3.66Å; F273-I306 HydrophobicContact CZ-CD1 3.94Å; F273-P308 HydrophobicContact CB-CG 4.5Å; F273-P308 HydrophobicContact CD1-CG 4.17Å; F273-W318 AromaticContact CE1-CD2 3.92Å; F273-W318 HydrophobicContact CE1-CD2 3.92Å; F273-W318 AromaticContact CE1-CE3 3.59Å; F273-W318 HydrophobicContact CE1-CE3 3.59Å; F273-W318 HydrophobicContact CE1-CH2 4.34Å; F273-W318 AromaticContact CE1-CZ3 3.83Å; F273-W318 HydrophobicContact CE1-CZ3 3.83Å; F273-W318 HydrophobicContact CZ-CB 4.28Å; F273-W318 AromaticContact CZ-CD2 3.83Å; F273-W318 HydrophobicContact CZ-CD2 3.83Å; F273-W318 AromaticContact CZ-CE3 3.98Å; F273-W318 HydrophobicContact CZ-CE3 3.98Å; F273-W318 AromaticContact CZ-CG 3.98Å; F273-W318 HydrophobicContact CZ-CG 3.98Å; F273-F322 HydrophobicContact CE2-CD2 4.33Å; F273-F322 HydrophobicContact CE2-CE2 4.45Å; F273-F322 HydrophobicContact CZ-CE2 4.43Å; F273-I324 HydrophobicContact CD2-CD1 3.81Å; F273-I324 HydrophobicContact CE2-CD1 3.74Å; F273-L326 HydrophobicContact CB-CD2 3.7Å; F273-L326 HydrophobicContact CD1-CD1 4.37Å; F273-L326 HydrophobicContact CD1-CD2 3.7Å; F273-L326 HydrophobicContact CD2-CD2 3.49Å; F273-L326 VanDerWaalsContact CD2-CD2 3.49Å; F273-L326 HydrophobicContact CE1-CD1 4.23Å; F273-L326 HydrophobicContact CE1-CD2 4.14Å; F273-L326 HydrophobicContact CE2-CD2 3.94Å; F273-L326 HydrophobicContact CG-CD2 3.35Å; F273-L326 HydrophobicContact CZ-CD2 4.25Å; F273-P329 VanDerWaalsContact O-CA 3.31Å; F273-P329 WeakPolarHBondContact O-CA 3.37Å; F273-Q330 HydrophobicContact CB-CB 4.17Å; F273-Q330 HydrophobicContact CD2-CB 4.32Å; F273-Q330 PolarHBondContact N-O 2.81Å; F273-Q330 PolarHBondContact O-N 3.22Å; F273-W343 AromaticContact CD2-CH2 3.73Å; F273-W343 HydrophobicContact CD2-CH2 3.73Å; F273-W343 AromaticContact CD2-CZ3 3.82Å; F273-W343 HydrophobicContact CD2-CZ3 3.82Å; F273-W343 AromaticContact CE2-CH2 3.48Å; F273-W343 HydrophobicContact CE2-CH2 3.48Å; F273-W343 VanDerWaalsContact CE2-CH2 3.48Å; F273-W343 HydrophobicContact CE2-CZ2 4.29Å; F273-W343 HydrophobicContact CE2-CZ3 4.08Å
274	A	97.8	Very high	96.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	24%	0.241	C	C	.	.			trans	-155.1	121.5	174.5	0	0	0	0	0	110.2	K276 F284 W305 I306	A274-K276 PolarHBondContact O-N 3.04Å; A274-F284 HydrophobicContact CB-CD1 4.04Å; A274-W305 PolarHBondContact O-NE1 3.39Å; A274-I306 PolarHBondContact N-O 3.17Å; A274-I306 VanDerWaalsContact N-O 3.13Å
275	E	97.4	Very high	96.5	Very high	52 Å²	52	42.6 Å²	42.6	24%	0.243	23%	0.228	C	C	.	.			trans	-76.9	113.8	173.9	-173.1	-167.3	142.3	0	0	109.2	S277 D278 G281 D307	E275-S277 PolarHBondContact O-N 3.09Å; E275-S277 VanDerWaalsContact O-N 3.14Å; E275-S277 WeakPolarHBondContact OE1-CB 3.49Å; E275-S277 PolarHBondContact OE1-OG 2.94Å; E275-D278 HydrophobicContact CB-CB 3.97Å; E275-D278 HydrophobicContact CG-CB 4.2Å; E275-D278 PolarHBondContact O-N 3.38Å; E275-G281 CarbonylContact O-C 3.59Å; E275-G281 WeakPolarHBondContact O-CA 3.03Å; E275-D307 WeakPolarHBondContact CA-OD1 3.43Å
276	K	96.2	Very high	96.8	Very high	67 Å²	67	43.8 Å²	43.8	29%	0.291	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-25	-177.7	-177.4	172.9	-171.9	162.3	0	113.1	E162 A274 L285 W305 D307	E162-K276 IonicContact OE1-NZ 2.8Å; E162-K276 PolarHBondContact OE1-NZ 3.39Å; A274-K276 PolarHBondContact O-N 3.04Å; K276-L285 HydrophobicContact CD-CD2 4.43Å; K276-L285 HydrophobicContact CG-CD2 4.3Å; K276-W305 HydrophobicContact CB-CH2 4.25Å; K276-W305 HydrophobicContact CB-CZ2 4Å; K276-W305 HydrophobicContact CD-CH2 4.06Å; K276-D307 VanDerWaalsContact CB-OD2 3.3Å; K276-D307 WeakPolarHBondContact CB-OD2 3.48Å; K276-D307 PolarHBondContact N-OD2 3.33Å
277	S	96.4	Very high	97.1	Very high	90 Å²	90	37.7 Å²	37.7	63%	0.629	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-26.9	-177.3	132.7	0	0	0	0	112.4	E275	E275-S277 PolarHBondContact O-N 3.09Å; E275-S277 VanDerWaalsContact O-N 3.14Å; E275-S277 WeakPolarHBondContact OE1-CB 3.49Å; E275-S277 PolarHBondContact OE1-OG 2.94Å
278	D	96.3	Very high	97.4	Very high	47 Å²	47	36.8 Å²	36.8	25%	0.251	19%	0.19	S	C	.	.	S	Bend	trans	-83.1	141.4	177.6	-179.1	72.4	0	0	0	111.4	E275 D280 G281 Y282	E275-D278 HydrophobicContact CB-CB 3.97Å; E275-D278 HydrophobicContact CG-CB 4.2Å; E275-D278 PolarHBondContact O-N 3.38Å; D278-D280 VanDerWaalsContact C-N 3.35Å; D278-D280 PolarHBondContact O-N 2.92Å; D278-D280 WeakPolarHBondContact OD2-CB 3.38Å; D278-D280 PolarHBondContact OD2-N 3.48Å; D278-G281 PolarHBondContact OD2-N 3.49Å; D278-G281 VanDerWaalsContact OD2-N 3.12Å; D278-Y282 WeakPolarHBondContact O-CB 3.04Å; D278-Y282 PolarHBondContact O-N 2.98Å
279	P	95.8	Very high	97.5	Very high	91 Å²	91	34.7 Å²	34.7	59%	0.591	18%	0.179	S	C	*	.	H	α-helix	trans	-58.2	-41.2	179.7	-26.1	36.8	0	0	0	114.5	Y282 E283	P279-Y282 PolarHBondContact O-N 3.06Å; P279-E283 PolarHBondContact O-N 3.35Å
280	D	95.3	Very high	97.5	Very high	50 Å²	50	38.1 Å²	38.1	27%	0.267	20%	0.195	S	C	.	.	H	α-helix	trans	-78.2	-39.6	-175	-52.8	-31.7	0	0	0	109	D278 Y282 E283 F284 P329	D278-D280 VanDerWaalsContact C-N 3.35Å; D278-D280 PolarHBondContact O-N 2.92Å; D278-D280 WeakPolarHBondContact OD2-CB 3.38Å; D278-D280 PolarHBondContact OD2-N 3.48Å; D280-Y282 VanDerWaalsContact C-N 3.34Å; D280-Y282 PolarHBondContact O-N 3.41Å; D280-E283 PolarHBondContact O-N 2.83Å; D280-F284 WeakPolarHBondContact O-CB 3.36Å; D280-F284 PolarHBondContact O-N 3.4Å; D280-P329 HydrophobicContact CB-CG 4.32Å
281	G	96.7	Very high	97.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-40.3	169.2	0	0	0	0	0	113.4	E275 D278 L285	E275-G281 CarbonylContact O-C 3.59Å; E275-G281 WeakPolarHBondContact O-CA 3.03Å; D278-G281 PolarHBondContact OD2-N 3.49Å; D278-G281 VanDerWaalsContact OD2-N 3.12Å; G281-L285 VanDerWaalsContact O-CB 3.32Å; G281-L285 WeakPolarHBondContact O-CB 3.41Å; G281-L285 PolarHBondContact O-N 3.23Å
282	Y	97.1	Very high	97.5	Very high	113 Å²	113	37.8 Å²	37.8	44%	0.443	19%	0.193	S	C	.	.	H	α-helix	trans	-65.9	-45	174.9	-179.5	-96.9	0	0	0	112.4	D278 P279 D280 L285 E286	D278-Y282 WeakPolarHBondContact O-CB 3.04Å; D278-Y282 PolarHBondContact O-N 2.98Å; P279-Y282 PolarHBondContact O-N 3.06Å; D280-Y282 VanDerWaalsContact C-N 3.34Å; D280-Y282 PolarHBondContact O-N 3.41Å; Y282-L285 PolarHBondContact O-N 2.78Å; Y282-E286 HydrophobicContact CD1-CG 4.44Å; Y282-E286 HydrophobicContact CE1-CG 3.9Å; Y282-E286 HydrophobicContact CE2-CG 4.39Å; Y282-E286 WeakPolarHBondContact O-CG 3.23Å; Y282-E286 PolarHBondContact O-N 3.49Å; Y282-E286 PolarHBondContact OH-OE1 3.23Å
283	E	97.3	Very high	97.5	Very high	116 Å²	116	40.5 Å²	40.5	54%	0.542	20%	0.204	S	C	.	.	H	α-helix	trans	-61.6	-45.9	177.3	-178.5	162.6	-173.6	0	0	111.4	P279 D280 L285 E286 I287 L352	P279-E283 PolarHBondContact O-N 3.35Å; D280-E283 PolarHBondContact O-N 2.83Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.18Å; E283-E286 PolarHBondContact O-N 3.5Å; E283-I287 HydrophobicContact CG-CD1 4.38Å; E283-I287 PolarHBondContact O-N 3.47Å; E283-I287 VanDerWaalsContact O-N 3.13Å; E283-L352 HydrophobicContact CB-CD1 3.93Å; E283-L352 HydrophobicContact CG-CD1 3.88Å
284	F	97.8	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-39.9	176.1	-170.9	-115.5	0	0	0	112.6	A272 A274 D280 E286 I287 L288 P329 I331 I346 L352 P353 L358	A272-F284 HydrophobicContact CB-CE1 4.37Å; A274-F284 HydrophobicContact CB-CD1 4.04Å; D280-F284 WeakPolarHBondContact O-CB 3.36Å; D280-F284 PolarHBondContact O-N 3.4Å; F284-E286 VanDerWaalsContact C-N 3.33Å; F284-E286 PolarHBondContact O-N 3.3Å; F284-I287 WeakPolarHBondContact O-CB 3.33Å; F284-I287 PolarHBondContact O-N 3.17Å; F284-I287 VanDerWaalsContact O-N 3.15Å; F284-L288 HydrophobicContact CD1-CD1 3.84Å; F284-L288 HydrophobicContact CD1-CG 4.3Å; F284-L288 HydrophobicContact CE1-CD1 3.77Å; F284-L288 HydrophobicContact CE1-CD2 4.34Å; F284-L288 HydrophobicContact CE1-CG 4.11Å; F284-L288 HydrophobicContact CZ-CD2 4.39Å; F284-L288 HydrophobicContact CZ-CG 4.43Å; F284-L288 WeakPolarHBondContact O-CG 3.28Å; F284-L288 PolarHBondContact O-N 2.93Å; F284-P329 HydrophobicContact CB-CB 3.73Å; F284-P329 HydrophobicContact CB-CG 3.97Å; F284-P329 HydrophobicContact CD1-CB 3.54Å; F284-P329 HydrophobicContact CD2-CB 4.28Å; F284-P329 HydrophobicContact CE1-CB 4.16Å; F284-P329 HydrophobicContact CG-CB 3.59Å; F284-P329 HydrophobicContact CG-CG 4.38Å; F284-I331 HydrophobicContact CE1-CB 4.42Å; F284-I331 HydrophobicContact CZ-CB 3.95Å; F284-I331 HydrophobicContact CZ-CG2 4Å; F284-I346 HydrophobicContact CE2-CD1 4.39Å; F284-L352 HydrophobicContact CB-CD1 4.13Å; F284-L352 HydrophobicContact CB-CD2 4.31Å; F284-L352 HydrophobicContact CD2-CD2 4.19Å; F284-P353 HydrophobicContact CD2-CG 4.37Å; F284-P353 HydrophobicContact CE2-CG 3.77Å; F284-L358 HydrophobicContact CE2-CD2 4.47Å
285	L	98.2	Very high	97.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-39	175	-179.3	61.8	0	0	0	112.2	K276 G281 Y282 E283 I287 L288 K289 W305	K276-L285 HydrophobicContact CD-CD2 4.43Å; K276-L285 HydrophobicContact CG-CD2 4.3Å; G281-L285 VanDerWaalsContact O-CB 3.32Å; G281-L285 WeakPolarHBondContact O-CB 3.41Å; G281-L285 PolarHBondContact O-N 3.23Å; Y282-L285 PolarHBondContact O-N 2.78Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.18Å; L285-I287 VanDerWaalsContact C-N 3.3Å; L285-I287 PolarHBondContact O-N 2.82Å; L285-L288 HydrophobicContact CD1-CD1 4.38Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 2.89Å; L285-K289 VanDerWaalsContact O-CG 3.29Å; L285-K289 WeakPolarHBondContact O-CG 3.4Å; L285-K289 PolarHBondContact O-N 3.49Å; L285-W305 HydrophobicContact CD1-CD2 3.57Å; L285-W305 HydrophobicContact CD1-CE3 3.77Å; L285-W305 HydrophobicContact CD1-CG 3.99Å; L285-W305 HydrophobicContact CD1-CH2 4.48Å; L285-W305 HydrophobicContact CD1-CZ2 4.29Å; L285-W305 HydrophobicContact CD1-CZ3 4.22Å; L285-W305 HydrophobicContact CD2-CD2 4.44Å; L285-W305 HydrophobicContact CD2-CE3 4.38Å; L285-W305 HydrophobicContact CD2-CH2 3.65Å; L285-W305 HydrophobicContact CD2-CZ2 3.66Å; L285-W305 HydrophobicContact CD2-CZ3 4Å
286	E	98.1	Very high	97.3	Very high	60 Å²	60	46 Å²	46	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-32.5	175.3	-66.8	-61.9	138.2	0	0	112.2	Y282 E283 F284 K289 Q290	Y282-E286 HydrophobicContact CD1-CG 4.44Å; Y282-E286 HydrophobicContact CE1-CG 3.9Å; Y282-E286 HydrophobicContact CE2-CG 4.39Å; Y282-E286 WeakPolarHBondContact O-CG 3.23Å; Y282-E286 PolarHBondContact O-N 3.49Å; Y282-E286 PolarHBondContact OH-OE1 3.23Å; E283-E286 PolarHBondContact O-N 3.5Å; F284-E286 VanDerWaalsContact C-N 3.33Å; F284-E286 PolarHBondContact O-N 3.3Å; E286-K289 IonicContact OE1-NZ 2.68Å; E286-K289 PolarHBondContact OE1-NZ 2.8Å; E286-Q290 PolarHBondContact O-N 2.85Å; E286-Q290 VanDerWaalsContact O-N 3.09Å
287	I	98.3	Very high	97.3	Very high	26 Å²	26	50.4 Å²	50.4	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-47.1	171	-64.6	155.9	0	0	0	110.5	E283 F284 L285 K289 Q290 V291 L352 P353 A355 L358	E283-I287 HydrophobicContact CG-CD1 4.38Å; E283-I287 PolarHBondContact O-N 3.47Å; E283-I287 VanDerWaalsContact O-N 3.13Å; F284-I287 WeakPolarHBondContact O-CB 3.33Å; F284-I287 PolarHBondContact O-N 3.17Å; F284-I287 VanDerWaalsContact O-N 3.15Å; L285-I287 VanDerWaalsContact C-N 3.3Å; L285-I287 PolarHBondContact O-N 2.82Å; I287-K289 VanDerWaalsContact C-N 3.33Å; I287-K289 PolarHBondContact O-N 2.96Å; I287-Q290 WeakPolarHBondContact O-CB 3.39Å; I287-Q290 PolarHBondContact O-N 2.91Å; I287-Q290 VanDerWaalsContact O-N 3.08Å; I287-V291 PolarHBondContact O-N 2.95Å; I287-L352 HydrophobicContact CD1-CB 4.32Å; I287-P353 VanDerWaalsContact CD1-O 3.25Å; I287-P353 WeakPolarHBondContact CD1-O 3.41Å; I287-A355 HydrophobicContact CG2-CB 4.29Å; I287-L358 HydrophobicContact CG2-CD2 3.88Å
288	L	98.4	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-44.6	175.9	-72	167.3	0	0	0	112	L249 A272 F284 L285 Q290 V291 A292 I303 I331 L358	L249-L288 HydrophobicContact CD2-CB 4.22Å; A272-L288 HydrophobicContact CB-CD1 3.61Å; A272-L288 HydrophobicContact CB-CD2 3.94Å; A272-L288 HydrophobicContact CB-CG 4.47Å; F284-L288 HydrophobicContact CD1-CD1 3.84Å; F284-L288 HydrophobicContact CD1-CG 4.3Å; F284-L288 HydrophobicContact CE1-CD1 3.77Å; F284-L288 HydrophobicContact CE1-CD2 4.34Å; F284-L288 HydrophobicContact CE1-CG 4.11Å; F284-L288 HydrophobicContact CZ-CD2 4.39Å; F284-L288 HydrophobicContact CZ-CG 4.43Å; F284-L288 WeakPolarHBondContact O-CG 3.28Å; F284-L288 PolarHBondContact O-N 2.93Å; L285-L288 HydrophobicContact CD1-CD1 4.38Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 2.89Å; L288-Q290 VanDerWaalsContact C-N 3.29Å; L288-Q290 PolarHBondContact O-N 3.29Å; L288-V291 PolarHBondContact O-N 3.32Å; L288-A292 VanDerWaalsContact O-CB 3.31Å; L288-A292 WeakPolarHBondContact O-CB 3.48Å; L288-A292 PolarHBondContact O-N 3.39Å; L288-I303 HydrophobicContact CD2-CG2 4.31Å; L288-I331 HydrophobicContact CD2-CD1 4Å; L288-L358 HydrophobicContact CD2-CD2 3.84Å; L288-L358 HydrophobicContact CG-CD2 4.47Å
289	K	98.5	Very high	97.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-39.9	176.1	-68.5	178.5	-170.2	176.1	0	111.5	E162 F220 L249 L285 E286 I287 R293	E162-K289 VanDerWaalsContact CD-NZ 3.27Å; E162-K289 IonicContact OE1-NZ 3.57Å; E162-K289 PolarHBondContact OE1-NZ 2.81Å; E162-K289 IonicContact OE2-NZ 2.95Å; E162-K289 PolarHBondContact OE2-NZ 2.98Å; F220-K289 HydrophobicContact CB-CD 4.48Å; F220-K289 HydrophobicContact CB-CG 4Å; F220-K289 HydrophobicContact CD1-CD 4Å; F220-K289 HydrophobicContact CD1-CG 3.99Å; F220-K289 HydrophobicContact CG-CG 4.15Å; L249-K289 HydrophobicContact CD2-CG 4Å; L285-K289 VanDerWaalsContact O-CG 3.29Å; L285-K289 WeakPolarHBondContact O-CG 3.4Å; L285-K289 PolarHBondContact O-N 3.49Å; E286-K289 IonicContact OE1-NZ 2.68Å; E286-K289 PolarHBondContact OE1-NZ 2.8Å; I287-K289 VanDerWaalsContact C-N 3.33Å; I287-K289 PolarHBondContact O-N 2.96Å; K289-R293 VanDerWaalsContact O-CG 3.23Å; K289-R293 WeakPolarHBondContact O-CG 3.48Å; K289-R293 PolarHBondContact O-N 2.8Å
290	Q	98.3	Very high	97.1	Very high	75 Å²	75	51.4 Å²	51.4	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-49.3	177.8	-176.4	57.7	41.2	0	0	111.4	E286 I287 L288 A292 R293 D294 A355	E286-Q290 PolarHBondContact O-N 2.85Å; E286-Q290 VanDerWaalsContact O-N 3.09Å; I287-Q290 WeakPolarHBondContact O-CB 3.39Å; I287-Q290 PolarHBondContact O-N 2.91Å; I287-Q290 VanDerWaalsContact O-N 3.08Å; L288-Q290 VanDerWaalsContact C-N 3.29Å; L288-Q290 PolarHBondContact O-N 3.29Å; Q290-A292 VanDerWaalsContact C-N 3.31Å; Q290-A292 PolarHBondContact O-N 3.47Å; Q290-R293 PolarHBondContact O-N 2.95Å; Q290-D294 PolarHBondContact NE2-OD1 3.34Å; Q290-D294 PolarHBondContact NE2-OD2 3.22Å; Q290-D294 PolarHBondContact O-N 2.95Å; Q290-A355 HydrophobicContact CG-CB 4.19Å
291	V	98.2	Very high	97.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-42.5	177.9	173.4	0	0	0	0	111.4	I287 L288 R293 D294 N295 A355 L358 E359 I362	I287-V291 PolarHBondContact O-N 2.95Å; L288-V291 PolarHBondContact O-N 3.32Å; V291-R293 PolarHBondContact O-N 2.92Å; V291-D294 PolarHBondContact O-N 3.17Å; V291-N295 WeakPolarHBondContact O-CB 3.31Å; V291-N295 PolarHBondContact O-N 3.15Å; V291-N295 PolarHBondContact O-ND2 3.02Å; V291-N295 VanDerWaalsContact O-ND2 3.15Å; V291-A355 HydrophobicContact CG2-CB 3.86Å; V291-A355 WeakPolarHBondContact CG2-O 3.43Å; V291-L358 HydrophobicContact CG2-CB 4.14Å; V291-L358 HydrophobicContact CG2-CD2 3.98Å; V291-L358 HydrophobicContact CG2-CG 4.18Å; V291-E359 HydrophobicContact CG1-CB 4.46Å; V291-I362 HydrophobicContact CG1-CD1 3.9Å
292	A	98.2	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-41	176.7	0	0	0	0	0	112.6	M221 T248 L249 L288 Q290 N295 T296	M221-A292 HydrophobicContact CE-CB 4.24Å; T248-A292 HydrophobicContact CG2-CB 4.05Å; L249-A292 HydrophobicContact CB-CB 3.6Å; L249-A292 HydrophobicContact CD2-CB 4.3Å; L288-A292 VanDerWaalsContact O-CB 3.31Å; L288-A292 WeakPolarHBondContact O-CB 3.48Å; L288-A292 PolarHBondContact O-N 3.39Å; Q290-A292 VanDerWaalsContact C-N 3.31Å; Q290-A292 PolarHBondContact O-N 3.47Å; A292-N295 CarbonylContact O-C 3.51Å; A292-N295 PolarHBondContact O-N 3.48Å; A292-T296 WeakPolarHBondContact O-CA 3.29Å; A292-T296 PolarHBondContact O-N 2.83Å
293	R	97.9	Very high	97.4	Very high	57 Å²	57	44 Å²	44	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-41.7	175.8	-73	168	-167.4	145.9	-1.3	112.2	F220 M221 D222 K289 Q290 V291 N295 T296	F220-R293 PolarHBondContact O-NE 2.74Å; F220-R293 PolarHBondContact O-NH2 2.95Å; F220-R293 VanDerWaalsContact O-NH2 3.08Å; M221-R293 HydrophobicContact SD-CB 4.29Å; M221-R293 HydrophobicContact SD-CG 3.63Å; D222-R293 IonicContact OD1-CZ 2.89Å; D222-R293 IonicContact OD1-NE 2.87Å; D222-R293 IonicContact OD1-NH2 3.66Å; D222-R293 IonicContact OD2-CZ 2.84Å; D222-R293 IonicContact OD2-NE 2.74Å; K289-R293 VanDerWaalsContact O-CG 3.23Å; K289-R293 WeakPolarHBondContact O-CG 3.48Å; K289-R293 PolarHBondContact O-N 2.8Å; Q290-R293 PolarHBondContact O-N 2.95Å; V291-R293 PolarHBondContact O-N 2.92Å; R293-N295 PolarHBondContact O-N 3.48Å; R293-T296 WeakPolarHBondContact O-CG2 3.46Å
294	D	97.4	Very high	97.5	Very high	94 Å²	94	38.5 Å²	38.5	50%	0.503	21%	0.205	S	C	.	.	H	α-helix	trans	-68	-24.6	-179.5	-68.4	-25.1	0	0	0	111.7	Q290 V291	Q290-D294 PolarHBondContact NE2-OD1 3.34Å; Q290-D294 PolarHBondContact NE2-OD2 3.22Å; Q290-D294 PolarHBondContact O-N 2.95Å; V291-D294 PolarHBondContact O-N 3.17Å
295	N	97	Very high	97.5	Very high	29 Å²	29	38.5 Å²	38.5	16%	0.155	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	16.1	-177.3	-71.7	-84.1	0	0	0	114.8	V291 A292 R293 D297 N298 L301 E359	V291-N295 WeakPolarHBondContact O-CB 3.31Å; V291-N295 PolarHBondContact O-N 3.15Å; V291-N295 PolarHBondContact O-ND2 3.02Å; V291-N295 VanDerWaalsContact O-ND2 3.15Å; A292-N295 CarbonylContact O-C 3.51Å; A292-N295 PolarHBondContact O-N 3.48Å; R293-N295 PolarHBondContact O-N 3.48Å; N295-D297 PolarHBondContact O-N 3.17Å; N295-D297 VanDerWaalsContact O-N 3.13Å; N295-N298 VanDerWaalsContact O-CB 3.31Å; N295-N298 WeakPolarHBondContact O-CB 3.43Å; N295-N298 PolarHBondContact O-N 2.99Å; N295-L301 HydrophobicContact CB-CD2 3.47Å; N295-L301 VanDerWaalsContact CB-CD2 3.47Å; N295-E359 PolarHBondContact ND2-OE1 3.09Å; N295-E359 PolarHBondContact OD1-OE1 3.03Å
296	T	96.4	Very high	97.5	Very high	47 Å²	47	38.6 Å²	38.6	29%	0.288	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.3	-173.9	-173.1	0	0	0	0	114.2	E218 T248 A292 R293 N298	E218-T296 PolarHBondContact OE2-OG1 3.33Å; T248-T296 WeakPolarHBondContact OG1-CA 3.31Å; A292-T296 WeakPolarHBondContact O-CA 3.29Å; A292-T296 PolarHBondContact O-N 2.83Å; R293-T296 WeakPolarHBondContact O-CG2 3.46Å; T296-N298 PolarHBondContact O-N 3.23Å
297	D	94.9	Very high	97.6	Very high	159 Å²	159	36.1 Å²	36.1	85%	0.85	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.2	178.2	-70.5	-41.9	0	0	0	113.3	N295 P299	N295-D297 PolarHBondContact O-N 3.17Å; N295-D297 VanDerWaalsContact O-N 3.13Å; D297-P299 VanDerWaalsContact O-CD 3.28Å; D297-P299 WeakPolarHBondContact O-CD 3.31Å
298	N	96.3	Very high	97.5	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.262	19%	0.19	S	C	.	.			trans	-89.2	105.9	179.2	-173.8	-4.1	0	0	0	111	N295 T296 D300 L301	N295-N298 VanDerWaalsContact O-CB 3.31Å; N295-N298 WeakPolarHBondContact O-CB 3.43Å; N295-N298 PolarHBondContact O-N 2.99Å; T296-N298 PolarHBondContact O-N 3.23Å; N298-D300 PolarHBondContact O-N 2.9Å; N298-D300 PolarHBondContact OD1-N 2.82Å; N298-D300 VanDerWaalsContact OD1-N 3.09Å; N298-L301 HydrophobicContact CB-CB 4.15Å; N298-L301 PolarHBondContact O-N 3.37Å
299	P	94.7	Very high	97.5	Very high	103 Å²	103	40 Å²	40	67%	0.669	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.9	-177	32.4	-37.6	0	0	0	113.5	D297 L301	D297-P299 VanDerWaalsContact O-CD 3.28Å; D297-P299 WeakPolarHBondContact O-CD 3.31Å; P299-L301 VanDerWaalsContact C-N 3.32Å
300	D	95.3	Very high	97.4	Very high	98 Å²	98	42.4 Å²	42.4	52%	0.524	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.8	179.4	-59.7	-44.1	0	0	0	111.8	L265 N298 L366	L265-D300 WeakPolarHBondContact CD1-O 3.49Å; N298-D300 PolarHBondContact O-N 2.9Å; N298-D300 PolarHBondContact OD1-N 2.82Å; N298-D300 VanDerWaalsContact OD1-N 3.09Å; D300-L366 WeakPolarHBondContact O-CD2 3.36Å
301	L	97.3	Very high	97.4	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	21%	0.213	C	C	.	.			trans	-110.1	121.9	177.4	179.8	60.8	0	0	0	111.4	T248 I270 N295 N298 P299 I303 I362 L366	T248-L301 HydrophobicContact CG2-CB 4.48Å; T248-L301 HydrophobicContact CG2-CD2 3.76Å; T248-L301 HydrophobicContact CG2-CG 3.92Å; I270-L301 HydrophobicContact CD1-CD1 3.86Å; N295-L301 HydrophobicContact CB-CD2 3.47Å; N295-L301 VanDerWaalsContact CB-CD2 3.47Å; N298-L301 HydrophobicContact CB-CB 4.15Å; N298-L301 PolarHBondContact O-N 3.37Å; P299-L301 VanDerWaalsContact C-N 3.32Å; L301-I303 HydrophobicContact CD1-CD1 4.34Å; L301-I303 HydrophobicContact CD1-CG1 3.88Å; L301-I303 HydrophobicContact CG-CG1 4.46Å; L301-I362 HydrophobicContact CD1-CG2 3.59Å; L301-L366 HydrophobicContact CB-CD1 4.36Å; L301-L366 HydrophobicContact CD1-CD1 4.4Å
302	S	98.3	Very high	97.3	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	24%	0.242	C	C	.	.			trans	-145.2	119.9	164.9	-169.4	0	0	0	0	109.3	P247 T248 R250	P247-S302 PolarHBondContact O-OG 3.47Å; T248-S302 CarbonylContact O-C 3.45Å; T248-S302 WeakPolarHBondContact O-CA 3.18Å; R250-S302 PolarHBondContact NE-OG 2.9Å
303	I	98.7	Very high	97.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.4	179.5	-54.2	171.8	0	0	0	108.2	T248 L249 R250 I270 A272 L288 L301 I362	T248-I303 PolarHBondContact O-N 2.85Å; L249-I303 WeakPolarHBondContact CA-O 3.44Å; L249-I303 HydrophobicContact CD1-CB 3.85Å; L249-I303 HydrophobicContact CD1-CG2 3.84Å; R250-I303 PolarHBondContact N-O 2.9Å; I270-I303 HydrophobicContact CG2-CG1 4.23Å; I270-I303 HydrophobicContact CG2-CG2 4.3Å; I270-I303 WeakPolarHBondContact O-CA 3.43Å; A272-I303 HydrophobicContact CB-CG2 4.13Å; L288-I303 HydrophobicContact CD2-CG2 4.31Å; L301-I303 HydrophobicContact CD1-CD1 4.34Å; L301-I303 HydrophobicContact CD1-CG1 3.88Å; L301-I303 HydrophobicContact CG-CG1 4.46Å; I303-I362 HydrophobicContact CD1-CD1 3.7Å; I303-I362 HydrophobicContact CG1-CD1 4.46Å
304	L	98.7	Very high	97.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	102.7	174.5	-176.3	61.8	0	0	0	109.8	R250 L252 T260 W261 I270 V271 A272 I306	R250-L304 HydrophobicContact CG-CD1 4.04Å; R250-L304 CarbonylContact O-C 3.56Å; R250-L304 WeakPolarHBondContact O-CA 3.31Å; L252-L304 HydrophobicContact CB-CD1 3.8Å; L252-L304 HydrophobicContact CB-CG 4.25Å; L252-L304 HydrophobicContact CD1-CD1 4.12Å; L252-L304 HydrophobicContact CD1-CD2 4.19Å; T260-L304 HydrophobicContact CG2-CD1 3.42Å; T260-L304 VanDerWaalsContact CG2-CD1 3.42Å; W261-L304 HydrophobicContact CE3-CD2 3.77Å; W261-L304 HydrophobicContact CZ3-CD2 3.92Å; I270-L304 PolarHBondContact O-N 3.41Å; V271-L304 WeakPolarHBondContact CA-O 3.29Å; A272-L304 PolarHBondContact N-O 2.71Å; L304-I306 HydrophobicContact CD2-CD1 4.41Å; L304-I306 HydrophobicContact CG-CG1 4.22Å
305	W	98.8	Very high	97.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.1	170.9	169.2	44.6	0	0	0	110.5	F220 L249 R250 R251 L252 A272 A274 K276 L285 D307	F220-W305 HydrophobicContact CE1-CE3 4.43Å; F220-W305 HydrophobicContact CE1-CZ3 4.21Å; F220-W305 HydrophobicContact CE2-CE3 4.46Å; F220-W305 AromaticContact CZ-CE3 3.73Å; F220-W305 HydrophobicContact CZ-CE3 3.73Å; F220-W305 AromaticContact CZ-CZ3 3.79Å; F220-W305 HydrophobicContact CZ-CZ3 3.79Å; L249-W305 HydrophobicContact CD1-CB 3.98Å; R250-W305 PolarHBondContact O-N 2.79Å; R251-W305 CarbonylContact C-O 3.51Å; R251-W305 WeakPolarHBondContact CA-O 3.35Å; R251-W305 HydrophobicContact CB-CE3 3.92Å; R251-W305 HydrophobicContact CB-CZ3 4.22Å; R251-W305 HydrophobicContact CG-CE3 3.93Å; R251-W305 HydrophobicContact CG-CZ3 3.98Å; L252-W305 PolarHBondContact N-O 3.01Å; A272-W305 CarbonylContact O-C 3.53Å; A272-W305 WeakPolarHBondContact O-CA 3.48Å; A274-W305 PolarHBondContact O-NE1 3.39Å; K276-W305 HydrophobicContact CB-CH2 4.25Å; K276-W305 HydrophobicContact CB-CZ2 4Å; K276-W305 HydrophobicContact CD-CH2 4.06Å; L285-W305 HydrophobicContact CD1-CD2 3.57Å; L285-W305 HydrophobicContact CD1-CE3 3.77Å; L285-W305 HydrophobicContact CD1-CG 3.99Å; L285-W305 HydrophobicContact CD1-CH2 4.48Å; L285-W305 HydrophobicContact CD1-CZ2 4.29Å; L285-W305 HydrophobicContact CD1-CZ3 4.22Å; L285-W305 HydrophobicContact CD2-CD2 4.44Å; L285-W305 HydrophobicContact CD2-CE3 4.38Å; L285-W305 HydrophobicContact CD2-CH2 3.65Å; L285-W305 HydrophobicContact CD2-CZ2 3.66Å; L285-W305 HydrophobicContact CD2-CZ3 4Å; W305-D307 HydrophobicContact CZ2-CB 3.94Å
306	I	98.8	Very high	97.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.1	174.8	-52	179.9	0	0	0	107.9	L252 V271 A272 F273 A274 L304 P308 F311 W318	L252-I306 HydrophobicContact CB-CG1 3.84Å; L252-I306 HydrophobicContact CD2-CD1 3.71Å; L252-I306 HydrophobicContact CD2-CG1 3.86Å; L252-I306 HydrophobicContact CD2-CG2 4.32Å; V271-I306 HydrophobicContact CG1-CD1 3.6Å; V271-I306 HydrophobicContact CG1-CG1 4.13Å; A272-I306 PolarHBondContact O-N 3.08Å; F273-I306 WeakPolarHBondContact CA-O 3.39Å; F273-I306 HydrophobicContact CD1-CB 3.7Å; F273-I306 HydrophobicContact CD1-CG2 3.91Å; F273-I306 HydrophobicContact CE1-CB 3.72Å; F273-I306 HydrophobicContact CE1-CD1 3.8Å; F273-I306 HydrophobicContact CE1-CG1 4.3Å; F273-I306 HydrophobicContact CE1-CG2 3.66Å; F273-I306 HydrophobicContact CZ-CD1 3.94Å; A274-I306 PolarHBondContact N-O 3.17Å; A274-I306 VanDerWaalsContact N-O 3.13Å; L304-I306 HydrophobicContact CD2-CD1 4.41Å; L304-I306 HydrophobicContact CG-CG1 4.22Å; I306-P308 WeakPolarHBondContact O-CD 3.45Å; I306-F311 HydrophobicContact CG2-CD2 3.86Å; I306-F311 HydrophobicContact CG2-CE2 4.14Å; I306-W318 HydrophobicContact CD1-CZ2 4.46Å; I306-W318 HydrophobicContact CG2-CH2 3.78Å; I306-W318 HydrophobicContact CG2-CZ3 4.04Å
307	D	98.5	Very high	97.3	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.043	29%	0.294	C	S	.	.			trans	-85.7	114.3	166	-163.7	-36.7	0	0	0	108.1	E275 K276 W305 D309 D310	E275-D307 WeakPolarHBondContact CA-OD1 3.43Å; K276-D307 VanDerWaalsContact CB-OD2 3.3Å; K276-D307 WeakPolarHBondContact CB-OD2 3.48Å; K276-D307 PolarHBondContact N-OD2 3.33Å; W305-D307 HydrophobicContact CZ2-CB 3.94Å; D307-D309 PolarHBondContact O-N 2.8Å; D307-D309 VanDerWaalsContact O-N 3.13Å; D307-D309 PolarHBondContact OD1-N 2.98Å; D307-D310 PolarHBondContact O-N 2.98Å; D307-D310 VanDerWaalsContact O-N 3.1Å
308	P	97.9	Very high	97.4	Very high	10 Å²	10	46 Å²	46	7%	0.065	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.9	-177.5	-24.9	34.8	0	0	0	114	F273 I306 D310 F311 V315	F273-P308 HydrophobicContact CB-CG 4.5Å; F273-P308 HydrophobicContact CD1-CG 4.17Å; I306-P308 WeakPolarHBondContact O-CD 3.45Å; P308-D310 VanDerWaalsContact C-N 3.25Å; P308-D310 PolarHBondContact O-N 3.23Å; P308-F311 CarbonylContact O-C 3.55Å; P308-F311 PolarHBondContact O-N 3.35Å; P308-F311 VanDerWaalsContact O-N 3.17Å; P308-V315 HydrophobicContact CB-CG2 3.99Å; P308-V315 WeakPolarHBondContact O-CG2 3.49Å
309	D	97.3	Very high	97.5	Very high	99 Å²	99	46.4 Å²	46.4	53%	0.529	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-66.6	-25.5	179.3	-93.8	-4.4	0	0	0	113.1	D307 F311	D307-D309 PolarHBondContact O-N 2.8Å; D307-D309 VanDerWaalsContact O-N 3.13Å; D307-D309 PolarHBondContact OD1-N 2.98Å; D309-F311 VanDerWaalsContact C-N 3.28Å
310	D	97.4	Very high	97.6	Very high	52 Å²	52	48.7 Å²	48.7	28%	0.278	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-73.8	-23.2	176.6	-66.6	-22.7	0	0	0	111.7	R251 D307 P308 P312	R251-D310 IonicContact CZ-OD2 2.73Å; R251-D310 IonicContact NE-OD2 3.55Å; R251-D310 PolarHBondContact NE-OD2 3.33Å; R251-D310 VanDerWaalsContact NH2-CG 3.32Å; R251-D310 IonicContact NH2-OD1 3.39Å; R251-D310 PolarHBondContact NH2-OD1 2.71Å; R251-D310 IonicContact NH2-OD2 3.52Å; R251-D310 PolarHBondContact NH2-OD2 3.36Å; D307-D310 PolarHBondContact O-N 2.98Å; D307-D310 VanDerWaalsContact O-N 3.1Å; P308-D310 VanDerWaalsContact C-N 3.25Å; P308-D310 PolarHBondContact O-N 3.23Å; D310-P312 VanDerWaalsContact C-CD 3.42Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å
311	F	97.9	Very high	97.6	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.022	25%	0.246	C	C	.	.			trans	-128.8	57	-172.3	-58.1	-83.2	0	0	0	113	L252 P254 M257 I306 P308 D309 L313 L314 V315 W318	L252-F311 HydrophobicContact CB-CE2 4.22Å; L252-F311 HydrophobicContact CB-CZ 4.36Å; L252-F311 HydrophobicContact CD2-CE2 4.02Å; L252-F311 HydrophobicContact CD2-CZ 3.96Å; L252-F311 HydrophobicContact CG-CE2 4.06Å; L252-F311 HydrophobicContact CG-CZ 3.8Å; L252-F311 WeakPolarHBondContact O-CE2 3.41Å; P254-F311 HydrophobicContact CB-CE1 4.37Å; P254-F311 HydrophobicContact CG-CE1 4Å; P254-F311 HydrophobicContact CG-CZ 4.08Å; M257-F311 HydrophobicContact CB-CE1 4.29Å; M257-F311 HydrophobicContact CB-CZ 4.48Å; M257-F311 HydrophobicContact CE-CD1 4.09Å; M257-F311 HydrophobicContact CE-CE1 3.76Å; M257-F311 HydrophobicContact SD-CE1 3.9Å; I306-F311 HydrophobicContact CG2-CD2 3.86Å; I306-F311 HydrophobicContact CG2-CE2 4.14Å; P308-F311 CarbonylContact O-C 3.55Å; P308-F311 PolarHBondContact O-N 3.35Å; P308-F311 VanDerWaalsContact O-N 3.17Å; D309-F311 VanDerWaalsContact C-N 3.28Å; F311-L313 PolarHBondContact O-N 3.37Å; F311-L314 HydrophobicContact CB-CB 4.15Å; F311-L314 HydrophobicContact CB-CD1 4.26Å; F311-L314 HydrophobicContact CB-CG 4.46Å; F311-L314 HydrophobicContact CD1-CD1 4.12Å; F311-L314 HydrophobicContact CG-CD1 4.47Å; F311-L314 PolarHBondContact O-N 3.07Å; F311-V315 PolarHBondContact O-N 3.13Å; F311-W318 HydrophobicContact CB-CH2 3.43Å; F311-W318 VanDerWaalsContact CB-CH2 3.43Å; F311-W318 HydrophobicContact CB-CZ3 3.66Å; F311-W318 AromaticContact CD2-CH2 3.93Å; F311-W318 HydrophobicContact CD2-CH2 3.93Å; F311-W318 AromaticContact CG-CH2 3.72Å; F311-W318 HydrophobicContact CG-CH2 3.72Å; F311-W318 HydrophobicContact CG-CZ3 4.36Å
312	P	96.5	Very high	97.6	Very high	97 Å²	97	46.7 Å²	46.7	63%	0.63	25%	0.247	S	C	*	.	H	α-helix	trans	-61.3	-24.4	-172.2	25.2	-35.8	0	0	0	113.8	D310	D310-P312 VanDerWaalsContact C-CD 3.42Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å
313	L	96.8	Very high	97.5	Very high	143 Å²	143	54.3 Å²	54.3	75%	0.749	28%	0.28	S	S	*	.	H	α-helix	trans	-78.8	-19.5	176.9	-62.5	-177.5	0	0	0	113.4	F311	F311-L313 PolarHBondContact O-N 3.37Å
314	L	97.6	Very high	97.3	Very high	52 Å²	52	55.3 Å²	55.3	27%	0.272	29%	0.285	S	S	.	.	H	α-helix	trans	-97.5	-21.3	-179	-64.9	-179.9	0	0	0	113.3	M257 F311 A316 Y317 W318	M257-L314 HydrophobicContact CE-CD1 3.84Å; F311-L314 HydrophobicContact CB-CB 4.15Å; F311-L314 HydrophobicContact CB-CD1 4.26Å; F311-L314 HydrophobicContact CB-CG 4.46Å; F311-L314 HydrophobicContact CD1-CD1 4.12Å; F311-L314 HydrophobicContact CG-CD1 4.47Å; F311-L314 PolarHBondContact O-N 3.07Å; L314-A316 PolarHBondContact O-N 3.39Å; L314-Y317 CarbonylContact O-C 3.59Å; L314-Y317 WeakPolarHBondContact O-CA 3.38Å; L314-Y317 WeakPolarHBondContact O-CB 3.4Å; L314-Y317 PolarHBondContact O-N 2.94Å; L314-W318 HydrophobicContact CB-CD2 3.84Å; L314-W318 HydrophobicContact CB-CE3 3.8Å; L314-W318 HydrophobicContact CB-CH2 3.57Å; L314-W318 HydrophobicContact CB-CZ2 3.6Å; L314-W318 HydrophobicContact CB-CZ3 3.66Å; L314-W318 HydrophobicContact CD1-CH2 3.81Å; L314-W318 HydrophobicContact CD1-CZ2 3.49Å; L314-W318 VanDerWaalsContact CD1-CZ2 3.49Å; L314-W318 HydrophobicContact CG-CH2 4.34Å; L314-W318 HydrophobicContact CG-CZ2 4.17Å; L314-W318 PolarHBondContact O-N 3.15Å
315	V	97.4	Very high	97.1	Very high	31 Å²	31	58.7 Å²	58.7	19%	0.188	30%	0.303	C	S	.	.	H	α-helix	trans	-47.1	-55.5	177.4	175.5	0	0	0	0	112.1	P308 F311 Y317 W318 E319 L326	P308-V315 HydrophobicContact CB-CG2 3.99Å; P308-V315 WeakPolarHBondContact O-CG2 3.49Å; F311-V315 PolarHBondContact O-N 3.13Å; V315-Y317 PolarHBondContact O-N 3.38Å; V315-W318 PolarHBondContact O-N 2.97Å; V315-W318 VanDerWaalsContact O-N 3.17Å; V315-E319 HydrophobicContact CG1-CG 4.45Å; V315-E319 WeakPolarHBondContact O-CG 3.31Å; V315-E319 PolarHBondContact O-N 2.85Å; V315-L326 HydrophobicContact CB-CD1 4.38Å; V315-L326 HydrophobicContact CG1-CB 4.26Å; V315-L326 HydrophobicContact CG1-CD1 4.01Å
316	A	97.1	Very high	97	Very high	67 Å²	67	59.2 Å²	59.2	55%	0.554	31%	0.306	S	S	*	.	H	α-helix	trans	-65.8	-25.1	-179.5	0	0	0	0	0	113.6	L314 K320	L314-A316 PolarHBondContact O-N 3.39Å; A316-K320 VanDerWaalsContact O-CB 3.31Å; A316-K320 WeakPolarHBondContact O-CB 3.42Å; A316-K320 PolarHBondContact O-N 2.87Å
317	Y	96.9	Very high	96.6	Very high	124 Å²	124	67 Å²	67	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-74.1	-45.9	173.8	166.9	-100.2	0	0	0	110.7	L314 V315 K320 T321	L314-Y317 CarbonylContact O-C 3.59Å; L314-Y317 WeakPolarHBondContact O-CA 3.38Å; L314-Y317 WeakPolarHBondContact O-CB 3.4Å; L314-Y317 PolarHBondContact O-N 2.94Å; V315-Y317 PolarHBondContact O-N 3.38Å; Y317-K320 PolarHBondContact O-N 2.93Å; Y317-T321 WeakPolarHBondContact CE2-OG1 3.38Å; Y317-T321 VanDerWaalsContact O-CB 3.29Å; Y317-T321 WeakPolarHBondContact O-CB 3.42Å; Y317-T321 PolarHBondContact O-N 2.79Å; Y317-T321 PolarHBondContact O-OG1 2.88Å
318	W	98.1	Very high	96.3	Very high	17 Å²	17	71.2 Å²	71.2	6%	0.064	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-49.2	178.8	-67.8	-40.9	0	0	0	112.5	F273 I306 F311 L314 V315 K320 T321 F322 L326	F273-W318 AromaticContact CE1-CD2 3.92Å; F273-W318 HydrophobicContact CE1-CD2 3.92Å; F273-W318 AromaticContact CE1-CE3 3.59Å; F273-W318 HydrophobicContact CE1-CE3 3.59Å; F273-W318 HydrophobicContact CE1-CH2 4.34Å; F273-W318 AromaticContact CE1-CZ3 3.83Å; F273-W318 HydrophobicContact CE1-CZ3 3.83Å; F273-W318 HydrophobicContact CZ-CB 4.28Å; F273-W318 AromaticContact CZ-CD2 3.83Å; F273-W318 HydrophobicContact CZ-CD2 3.83Å; F273-W318 AromaticContact CZ-CE3 3.98Å; F273-W318 HydrophobicContact CZ-CE3 3.98Å; F273-W318 AromaticContact CZ-CG 3.98Å; F273-W318 HydrophobicContact CZ-CG 3.98Å; I306-W318 HydrophobicContact CD1-CZ2 4.46Å; I306-W318 HydrophobicContact CG2-CH2 3.78Å; I306-W318 HydrophobicContact CG2-CZ3 4.04Å; F311-W318 HydrophobicContact CB-CH2 3.43Å; F311-W318 VanDerWaalsContact CB-CH2 3.43Å; F311-W318 HydrophobicContact CB-CZ3 3.66Å; F311-W318 AromaticContact CD2-CH2 3.93Å; F311-W318 HydrophobicContact CD2-CH2 3.93Å; F311-W318 AromaticContact CG-CH2 3.72Å; F311-W318 HydrophobicContact CG-CH2 3.72Å; F311-W318 HydrophobicContact CG-CZ3 4.36Å; L314-W318 HydrophobicContact CB-CD2 3.84Å; L314-W318 HydrophobicContact CB-CE3 3.8Å; L314-W318 HydrophobicContact CB-CH2 3.57Å; L314-W318 HydrophobicContact CB-CZ2 3.6Å; L314-W318 HydrophobicContact CB-CZ3 3.66Å; L314-W318 HydrophobicContact CD1-CH2 3.81Å; L314-W318 HydrophobicContact CD1-CZ2 3.49Å; L314-W318 VanDerWaalsContact CD1-CZ2 3.49Å; L314-W318 HydrophobicContact CG-CH2 4.34Å; L314-W318 HydrophobicContact CG-CZ2 4.17Å; L314-W318 PolarHBondContact O-N 3.15Å; V315-W318 PolarHBondContact O-N 2.97Å; V315-W318 VanDerWaalsContact O-N 3.17Å; W318-K320 PolarHBondContact O-N 2.86Å; W318-T321 PolarHBondContact O-N 2.8Å; W318-F322 HydrophobicContact CB-CD2 3.92Å; W318-F322 HydrophobicContact CB-CE2 4.11Å; W318-F322 AromaticContact CD1-CE2 3.34Å; W318-F322 HydrophobicContact CG-CD2 4.27Å; W318-F322 AromaticContact CG-CE2 3.95Å; W318-F322 HydrophobicContact CG-CE2 3.95Å; W318-F322 WeakPolarHBondContact O-CB 3.31Å; W318-F322 PolarHBondContact O-N 3.46Å; W318-L326 HydrophobicContact CB-CD1 3.8Å; W318-L326 HydrophobicContact CE3-CD1 3.9Å
319	E	97.2	Very high	96.3	Very high	58 Å²	58	70.9 Å²	70.9	27%	0.271	35%	0.353	S	S	.	.	H	α-helix	trans	-54.8	-40.9	175.5	-69.4	179.9	151.3	0	0	111.7	V315 K323 I324 L326	V315-E319 HydrophobicContact CG1-CG 4.45Å; V315-E319 WeakPolarHBondContact O-CG 3.31Å; V315-E319 PolarHBondContact O-N 2.85Å; E319-K323 VanDerWaalsContact O-CA 3.22Å; E319-K323 WeakPolarHBondContact O-CA 3.38Å; E319-K323 PolarHBondContact O-N 3.44Å; E319-I324 WeakPolarHBondContact CA-O 3.36Å; E319-L326 HydrophobicContact CG-CB 4.18Å; E319-L326 HydrophobicContact CG-CD1 4.18Å; E319-L326 HydrophobicContact CG-CG 3.93Å
320	K	97.1	Very high	96.3	Very high	152 Å²	152	67.3 Å²	67.3	66%	0.661	33%	0.333	S	S	*	.	H	α-helix	trans	-71	-39.1	178.7	-177.5	-175.5	172.9	-165.6	0	112.4	A316 Y317 W318 K323	A316-K320 VanDerWaalsContact O-CB 3.31Å; A316-K320 WeakPolarHBondContact O-CB 3.42Å; A316-K320 PolarHBondContact O-N 2.87Å; Y317-K320 PolarHBondContact O-N 2.93Å; W318-K320 PolarHBondContact O-N 2.86Å; K320-K323 WeakPolarHBondContact O-CD 3.49Å; K320-K323 WeakPolarHBondContact O-CE 3.45Å; K320-K323 PolarHBondContact O-NZ 2.97Å
321	T	96.3	Very high	96.3	Very high	47 Å²	47	64.9 Å²	64.9	29%	0.288	32%	0.32	S	S	.	.	H	α-helix	trans	-77.9	-53.6	-173.4	-56.9	0	0	0	0	109.7	Y317 W318 A339	Y317-T321 WeakPolarHBondContact CE2-OG1 3.38Å; Y317-T321 VanDerWaalsContact O-CB 3.29Å; Y317-T321 WeakPolarHBondContact O-CB 3.42Å; Y317-T321 PolarHBondContact O-N 2.79Å; Y317-T321 PolarHBondContact O-OG1 2.88Å; W318-T321 PolarHBondContact O-N 2.8Å; T321-A339 HydrophobicContact CG2-CB 4.35Å
322	F	96.3	Very high	96.3	Very high	14 Å²	14	64.6 Å²	64.6	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-87.3	-8.5	-174.7	-56.3	-36.4	0	0	0	114.2	F273 W318 I324 V334 S341 W343	F273-F322 HydrophobicContact CE2-CD2 4.33Å; F273-F322 HydrophobicContact CE2-CE2 4.45Å; F273-F322 HydrophobicContact CZ-CE2 4.43Å; W318-F322 HydrophobicContact CB-CD2 3.92Å; W318-F322 HydrophobicContact CB-CE2 4.11Å; W318-F322 AromaticContact CD1-CE2 3.34Å; W318-F322 HydrophobicContact CG-CD2 4.27Å; W318-F322 AromaticContact CG-CE2 3.95Å; W318-F322 HydrophobicContact CG-CE2 3.95Å; W318-F322 WeakPolarHBondContact O-CB 3.31Å; W318-F322 PolarHBondContact O-N 3.46Å; F322-I324 HydrophobicContact CB-CD1 3.88Å; F322-I324 HydrophobicContact CB-CG1 3.97Å; F322-I324 HydrophobicContact CB-CG2 4.35Å; F322-I324 HydrophobicContact CD2-CD1 4.13Å; F322-I324 HydrophobicContact CG-CD1 4.49Å; F322-I324 PolarHBondContact O-N 3.24Å; F322-V334 HydrophobicContact CE1-CG1 3.89Å; F322-V334 HydrophobicContact CE1-CG2 4.12Å; F322-V334 HydrophobicContact CZ-CG1 3.99Å; F322-V334 HydrophobicContact CZ-CG2 4.03Å; F322-S341 WeakPolarHBondContact CD1-OG 3.49Å; F322-W343 HydrophobicContact CB-CZ2 3.86Å; F322-W343 HydrophobicContact CD1-CZ2 4.34Å; F322-W343 HydrophobicContact CD2-CH2 4.4Å; F322-W343 AromaticContact CD2-CZ2 3.7Å; F322-W343 HydrophobicContact CD2-CZ2 3.7Å; F322-W343 HydrophobicContact CE2-CZ2 4.3Å; F322-W343 AromaticContact CG-CZ2 3.72Å; F322-W343 HydrophobicContact CG-CZ2 3.72Å
323	K	96	Very high	96.3	Very high	164 Å²	164	60.1 Å²	60.1	71%	0.713	29%	0.29	S	S	*	.			trans	60.9	24.7	179.7	-48.3	-56.8	-178	-166.2	0	114.6	E319 K320	E319-K323 VanDerWaalsContact O-CA 3.22Å; E319-K323 WeakPolarHBondContact O-CA 3.38Å; E319-K323 PolarHBondContact O-N 3.44Å; K320-K323 WeakPolarHBondContact O-CD 3.49Å; K320-K323 WeakPolarHBondContact O-CE 3.45Å; K320-K323 PolarHBondContact O-NZ 2.97Å
324	I	95.4	Very high	96.4	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.108	25%	0.254	C	S	.	.			trans	-99.1	164.4	177.5	62.7	-172.4	0	0	0	112	F273 E319 F322 L326 Q330 W343	F273-I324 HydrophobicContact CD2-CD1 3.81Å; F273-I324 HydrophobicContact CE2-CD1 3.74Å; E319-I324 WeakPolarHBondContact CA-O 3.36Å; F322-I324 HydrophobicContact CB-CD1 3.88Å; F322-I324 HydrophobicContact CB-CG1 3.97Å; F322-I324 HydrophobicContact CB-CG2 4.35Å; F322-I324 HydrophobicContact CD2-CD1 4.13Å; F322-I324 HydrophobicContact CG-CD1 4.49Å; F322-I324 PolarHBondContact O-N 3.24Å; I324-L326 HydrophobicContact CD1-CD2 3.6Å; I324-L326 HydrophobicContact CD1-CG 4.43Å; I324-L326 HydrophobicContact CG1-CD2 3.93Å; I324-L326 HydrophobicContact CG1-CG 4.31Å; I324-Q330 HydrophobicContact CB-CG 4.18Å; I324-Q330 HydrophobicContact CD1-CB 4.43Å; I324-Q330 HydrophobicContact CD1-CG 4.21Å; I324-W343 HydrophobicContact CD1-CD2 4.19Å; I324-W343 HydrophobicContact CD1-CE3 4.16Å; I324-W343 HydrophobicContact CD1-CH2 3.79Å; I324-W343 HydrophobicContact CD1-CZ2 3.73Å; I324-W343 HydrophobicContact CD1-CZ3 3.98Å; I324-W343 HydrophobicContact CG2-CB 4.22Å; I324-W343 HydrophobicContact CG2-CD2 3.59Å; I324-W343 HydrophobicContact CG2-CE3 4.2Å; I324-W343 HydrophobicContact CG2-CG 3.54Å
325	D	94.1	Very high	96.3	Very high	70 Å²	70	51.9 Å²	51.9	37%	0.374	25%	0.247	S	C	.	.			trans	-104.4	110	172.4	-175.3	-3.5	0	0	0	109.4	F327 R328 Q330	D325-F327 PolarHBondContact O-N 2.79Å; D325-F327 WeakPolarHBondContact OD1-CB 3.22Å; D325-F327 VanDerWaalsContact OD1-CD2 3.29Å; D325-F327 WeakPolarHBondContact OD1-CD2 3.39Å; D325-F327 PolarHBondContact OD1-N 3.06Å; D325-R328 PolarHBondContact O-N 3.21Å; D325-Q330 PolarHBondContact O-NE2 3.05Å
326	L	95.4	Very high	96.1	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.058	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1.3	-177	-68	-174.2	0	0	0	113.7	F273 V315 W318 E319 I324 R328 Q330	F273-L326 HydrophobicContact CB-CD2 3.7Å; F273-L326 HydrophobicContact CD1-CD1 4.37Å; F273-L326 HydrophobicContact CD1-CD2 3.7Å; F273-L326 HydrophobicContact CD2-CD2 3.49Å; F273-L326 VanDerWaalsContact CD2-CD2 3.49Å; F273-L326 HydrophobicContact CE1-CD1 4.23Å; F273-L326 HydrophobicContact CE1-CD2 4.14Å; F273-L326 HydrophobicContact CE2-CD2 3.94Å; F273-L326 HydrophobicContact CG-CD2 3.35Å; F273-L326 HydrophobicContact CZ-CD2 4.25Å; V315-L326 HydrophobicContact CB-CD1 4.38Å; V315-L326 HydrophobicContact CG1-CB 4.26Å; V315-L326 HydrophobicContact CG1-CD1 4.01Å; W318-L326 HydrophobicContact CB-CD1 3.8Å; W318-L326 HydrophobicContact CE3-CD1 3.9Å; E319-L326 HydrophobicContact CG-CB 4.18Å; E319-L326 HydrophobicContact CG-CD1 4.18Å; E319-L326 HydrophobicContact CG-CG 3.93Å; I324-L326 HydrophobicContact CD1-CD2 3.6Å; I324-L326 HydrophobicContact CD1-CG 4.43Å; I324-L326 HydrophobicContact CG1-CD2 3.93Å; I324-L326 HydrophobicContact CG1-CG 4.31Å; L326-R328 PolarHBondContact O-N 2.6Å; L326-Q330 HydrophobicContact CD2-CG 4.4Å
327	F	90.9	Very high	95.8	Very high	166 Å²	166	55.1 Å²	55.1	73%	0.728	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.2	164.6	-70.2	-79.7	0	0	0	112.7	D325	D325-F327 PolarHBondContact O-N 2.79Å; D325-F327 WeakPolarHBondContact OD1-CB 3.22Å; D325-F327 VanDerWaalsContact OD1-CD2 3.29Å; D325-F327 WeakPolarHBondContact OD1-CD2 3.39Å; D325-F327 PolarHBondContact OD1-N 3.06Å
328	R	92.8	Very high	95.5	Very high	95 Å²	95	54.2 Å²	54.2	36%	0.358	26%	0.264	S	S	.	.	S	Bend	trans	-128.4	152.7	-177.2	-56.3	-175	149.9	-169.2	-13.6	110	D325 L326 Q330 D349	D325-R328 PolarHBondContact O-N 3.21Å; L326-R328 PolarHBondContact O-N 2.6Å; R328-Q330 PolarHBondContact O-N 3.04Å; R328-D349 WeakPolarHBondContact CB-OD1 3.11Å; R328-D349 WeakPolarHBondContact CD-OD1 3.13Å; R328-D349 WeakPolarHBondContact CG-OD1 3.35Å; R328-D349 IonicContact CZ-OD1 2.77Å; R328-D349 IonicContact CZ-OD2 3.67Å; R328-D349 VanDerWaalsContact CZ-OD2 3.23Å; R328-D349 IonicContact NE-OD1 3.9Å; R328-D349 PolarHBondContact NE-OD1 2.84Å; R328-D349 IonicContact NE-OD2 3.95Å; R328-D349 PolarHBondContact NE-OD2 3.22Å; R328-D349 IonicContact NH2-OD1 3.34Å; R328-D349 IonicContact NH2-OD2 3.78Å; R328-D349 PolarHBondContact NH2-OD2 3.09Å
329	P	96.8	Very high	95.2	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.026	27%	0.273	C	S	.	.			trans	-59.8	137.8	171.6	-23.7	36	0	0	0	111.6	F273 D280 F284 L352	F273-P329 VanDerWaalsContact O-CA 3.31Å; F273-P329 WeakPolarHBondContact O-CA 3.37Å; D280-P329 HydrophobicContact CB-CG 4.32Å; F284-P329 HydrophobicContact CB-CB 3.73Å; F284-P329 HydrophobicContact CB-CG 3.97Å; F284-P329 HydrophobicContact CD1-CB 3.54Å; F284-P329 HydrophobicContact CD2-CB 4.28Å; F284-P329 HydrophobicContact CE1-CB 4.16Å; F284-P329 HydrophobicContact CG-CB 3.59Å; F284-P329 HydrophobicContact CG-CG 4.38Å; P329-L352 HydrophobicContact CB-CD2 4.12Å; P329-L352 HydrophobicContact CG-CD2 3.96Å
330	Q	97.6	Very high	95.1	Very high	24 Å²	24	55.1 Å²	55.1	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.7	179.1	-55.1	-66.3	-24.5	0	0	109.4	A272 F273 I324 D325 L326 R328 W343	A272-Q330 CarbonylContact C-O 3.6Å; A272-Q330 VanDerWaalsContact CA-O 3.23Å; A272-Q330 WeakPolarHBondContact CA-O 3.41Å; F273-Q330 HydrophobicContact CB-CB 4.17Å; F273-Q330 HydrophobicContact CD2-CB 4.32Å; F273-Q330 PolarHBondContact N-O 2.81Å; F273-Q330 PolarHBondContact O-N 3.22Å; I324-Q330 HydrophobicContact CB-CG 4.18Å; I324-Q330 HydrophobicContact CD1-CB 4.43Å; I324-Q330 HydrophobicContact CD1-CG 4.21Å; D325-Q330 PolarHBondContact O-NE2 3.05Å; L326-Q330 HydrophobicContact CD2-CG 4.4Å; R328-Q330 PolarHBondContact O-N 3.04Å; Q330-W343 HydrophobicContact CB-CE3 3.8Å; Q330-W343 HydrophobicContact CB-CZ3 3.88Å
331	I	98.1	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.5	163.2	-169.3	174.4	0	0	0	110	I270 V271 A272 F284 L288 M344 L358 W361 I362	I270-I331 HydrophobicContact CG2-CD1 3.99Å; I270-I331 HydrophobicContact CG2-CG1 4.12Å; V271-I331 CarbonylContact O-C 3.4Å; V271-I331 VanDerWaalsContact O-CA 3.31Å; V271-I331 WeakPolarHBondContact O-CA 3.46Å; A272-I331 HydrophobicContact CB-CB 4.35Å; A272-I331 HydrophobicContact CB-CD1 4.39Å; A272-I331 HydrophobicContact CB-CG1 4.09Å; F284-I331 HydrophobicContact CE1-CB 4.42Å; F284-I331 HydrophobicContact CZ-CB 3.95Å; F284-I331 HydrophobicContact CZ-CG2 4Å; L288-I331 HydrophobicContact CD2-CD1 4Å; I331-M344 HydrophobicContact CG2-CB 3.72Å; I331-M344 HydrophobicContact CG2-CG 4.44Å; I331-M344 HydrophobicContact CG2-SD 3.92Å; I331-M344 PolarHBondContact O-N 3.2Å; I331-L358 HydrophobicContact CD1-CD1 3.69Å; I331-L358 HydrophobicContact CG2-CD1 3.83Å; I331-W361 HydrophobicContact CD1-CZ3 4.28Å; I331-W361 HydrophobicContact CG1-CZ3 4.13Å; I331-I362 HydrophobicContact CD1-CD1 4.42Å
332	G	97.6	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	175.5	-174.5	0	0	0	0	0	112.6	I270 V271 V342	I270-G332 CarbonylContact C-O 3.58Å; I270-G332 WeakPolarHBondContact CA-O 3.37Å; V271-G332 PolarHBondContact N-O 2.74Å; V271-G332 PolarHBondContact O-N 2.74Å; G332-V342 CarbonylContact C-O 3.54Å; G332-V342 WeakPolarHBondContact CA-O 3.34Å
333	V	97.5	Very high	95.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133	171.5	-174.2	0	0	0	0	107.9	I268 H269 S341 V342 W361 V365 T372	I268-V333 HydrophobicContact CB-CG1 3.82Å; I268-V333 HydrophobicContact CD1-CG1 3.77Å; I268-V333 HydrophobicContact CG1-CG1 4.36Å; I268-V333 HydrophobicContact CG2-CG1 4.03Å; H269-V333 CarbonylContact O-C 3.58Å; H269-V333 WeakPolarHBondContact O-CA 3.38Å; V333-S341 CarbonylContact O-C 3.59Å; V333-S341 WeakPolarHBondContact O-CA 3.25Å; V333-S341 VanDerWaalsContact O-CB 3.31Å; V333-S341 WeakPolarHBondContact O-CB 3.48Å; V333-V342 PolarHBondContact N-O 2.86Å; V333-V342 PolarHBondContact O-N 3.16Å; V333-W361 HydrophobicContact CG2-CH2 3.84Å; V333-V365 HydrophobicContact CG2-CB 4.13Å; V333-V365 HydrophobicContact CG2-CG1 3.43Å; V333-V365 VanDerWaalsContact CG2-CG1 3.43Å; V333-V365 HydrophobicContact CG2-CG2 3.51Å; V333-T372 HydrophobicContact CG1-CG2 4.49Å
334	V	97.5	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127	175.5	-177.3	0	0	0	0	109.3	W261 I268 H269 V271 F322 D340 W343	W261-V334 HydrophobicContact CH2-CB 4.3Å; W261-V334 HydrophobicContact CH2-CG1 3.98Å; W261-V334 HydrophobicContact CZ2-CG1 4.07Å; I268-V334 CarbonylContact C-O 3.58Å; I268-V334 VanDerWaalsContact CA-O 3.3Å; I268-V334 WeakPolarHBondContact CA-O 3.25Å; H269-V334 PolarHBondContact N-O 3.13Å; H269-V334 PolarHBondContact O-N 2.81Å; V271-V334 HydrophobicContact CB-CG2 4.3Å; V271-V334 HydrophobicContact CG2-CB 4.29Å; V271-V334 HydrophobicContact CG2-CG2 3.87Å; F322-V334 HydrophobicContact CE1-CG1 3.89Å; F322-V334 HydrophobicContact CE1-CG2 4.12Å; F322-V334 HydrophobicContact CZ-CG1 3.99Å; F322-V334 HydrophobicContact CZ-CG2 4.03Å; V334-D340 WeakPolarHBondContact CA-O 3.31Å; V334-W343 HydrophobicContact CG2-CH2 4.37Å; V334-W343 HydrophobicContact CG2-CZ2 3.98Å
335	N	95.3	Very high	94.9	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.6	170.9	-172	-39.1	0	0	0	110	G267 T337 D338 A339 D340 T372	G267-N335 PolarHBondContact O-OD1 2.92Å; N335-T337 PolarHBondContact O-N 3.35Å; N335-T337 VanDerWaalsContact OD1-CB 3.28Å; N335-T337 WeakPolarHBondContact OD1-CB 3.02Å; N335-T337 PolarHBondContact OD1-N 3.48Å; N335-T337 PolarHBondContact OD1-OG1 2.84Å; N335-D338 WeakPolarHBondContact CB-OD1 3.28Å; N335-A339 WeakPolarHBondContact O-CA 3.35Å; N335-A339 PolarHBondContact O-N 3.26Å; N335-D340 PolarHBondContact N-O 3.43Å; N335-T372 HydrophobicContact CB-CG2 4.32Å
336	V	93.4	Very high	94.7	Very high	45 Å²	45	47.9 Å²	47.9	27%	0.273	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15	-175	-56.4	0	0	0	0	113.5	D264 G267 H269	D264-V336 HydrophobicContact CB-CG1 3.93Å; D264-V336 HydrophobicContact CB-CG2 4.25Å; G267-V336 WeakPolarHBondContact O-CG2 3.34Å; G267-V336 PolarHBondContact O-N 2.95Å; H269-V336 VanDerWaalsContact CD2-CG1 3.41Å; H269-V336 WeakPolarHBondContact CD2-CG1 3.31Å
337	T	90.7	Very high	93.8	Very high	122 Å²	122	52.1 Å²	52.1	75%	0.748	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-40.2	-173.9	-53	0	0	0	0	112.6	N335	N335-T337 PolarHBondContact O-N 3.35Å; N335-T337 VanDerWaalsContact OD1-CB 3.28Å; N335-T337 WeakPolarHBondContact OD1-CB 3.02Å; N335-T337 PolarHBondContact OD1-N 3.48Å; N335-T337 PolarHBondContact OD1-OG1 2.84Å
338	D	91.8	Very high	93.2	Very high	105 Å²	105	47 Å²	47	56%	0.561	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-2.4	-173.8	53.1	15.2	0	0	0	114	N335 D340	N335-D338 WeakPolarHBondContact CB-OD1 3.28Å; D338-D340 PolarHBondContact O-N 3.36Å; D338-D340 WeakPolarHBondContact OD1-CB 3.45Å; D338-D340 PolarHBondContact OD1-N 2.91Å; D338-D340 VanDerWaalsContact OD1-N 3.09Å
339	A	92.3	Very high	92.1	Very high	31 Å²	31	44.3 Å²	44.3	26%	0.256	25%	0.245	S	C	.	.			trans	62.2	24.2	-175.8	0	0	0	0	0	113.8	T321 N335	T321-A339 HydrophobicContact CG2-CB 4.35Å; N335-A339 WeakPolarHBondContact O-CA 3.35Å; N335-A339 PolarHBondContact O-N 3.26Å
340	D	94.3	Very high	91.1	Very high	62 Å²	62	51.2 Å²	51.2	33%	0.332	28%	0.282	S	S	.	.			trans	-68.9	149.9	167.9	-166.8	21.2	0	0	0	111	V334 N335 D338 T372	V334-D340 WeakPolarHBondContact CA-O 3.31Å; N335-D340 PolarHBondContact N-O 3.43Å; D338-D340 PolarHBondContact O-N 3.36Å; D338-D340 WeakPolarHBondContact OD1-CB 3.45Å; D338-D340 PolarHBondContact OD1-N 2.91Å; D338-D340 VanDerWaalsContact OD1-N 3.09Å; D340-T372 WeakPolarHBondContact OD2-CB 3.49Å
341	S	96.4	Very high	90.6	Very high	17 Å²	17	54.9 Å²	54.9	12%	0.119	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	142.6	-170.1	67.7	0	0	0	0	115	F322 V333 W343	F322-S341 WeakPolarHBondContact CD1-OG 3.49Å; V333-S341 CarbonylContact O-C 3.59Å; V333-S341 WeakPolarHBondContact O-CA 3.25Å; V333-S341 VanDerWaalsContact O-CB 3.31Å; V333-S341 WeakPolarHBondContact O-CB 3.48Å; S341-W343 PolarHBondContact OG-NE1 3.15Å
342	V	96.8	Very high	90.4	Very high	21 Å²	21	56.1 Å²	56.1	13%	0.127	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137	172.5	178.6	0	0	0	0	109.2	G332 V333 I370 N371 T372 D375	G332-V342 CarbonylContact C-O 3.54Å; G332-V342 WeakPolarHBondContact CA-O 3.34Å; V333-V342 PolarHBondContact N-O 2.86Å; V333-V342 PolarHBondContact O-N 3.16Å; V342-I370 HydrophobicContact CG1-CG2 3.95Å; V342-N371 WeakPolarHBondContact CG2-O 3.39Å; V342-T372 HydrophobicContact CG2-CG2 4.36Å; V342-D375 WeakPolarHBondContact CG2-OD2 3.49Å
343	W	96.8	Very high	90.3	Very high	37 Å²	37	56.5 Å²	56.5	14%	0.14	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.7	-175.2	-62	85.3	0	0	0	111.1	V271 F273 F322 I324 Q330 V334 S341 E345	V271-W343 HydrophobicContact CB-CH2 4.23Å; V271-W343 HydrophobicContact CG1-CH2 4.23Å; F273-W343 AromaticContact CD2-CH2 3.73Å; F273-W343 HydrophobicContact CD2-CH2 3.73Å; F273-W343 AromaticContact CD2-CZ3 3.82Å; F273-W343 HydrophobicContact CD2-CZ3 3.82Å; F273-W343 AromaticContact CE2-CH2 3.48Å; F273-W343 HydrophobicContact CE2-CH2 3.48Å; F273-W343 VanDerWaalsContact CE2-CH2 3.48Å; F273-W343 HydrophobicContact CE2-CZ2 4.29Å; F273-W343 HydrophobicContact CE2-CZ3 4.08Å; F322-W343 HydrophobicContact CB-CZ2 3.86Å; F322-W343 HydrophobicContact CD1-CZ2 4.34Å; F322-W343 HydrophobicContact CD2-CH2 4.4Å; F322-W343 AromaticContact CD2-CZ2 3.7Å; F322-W343 HydrophobicContact CD2-CZ2 3.7Å; F322-W343 HydrophobicContact CE2-CZ2 4.3Å; F322-W343 AromaticContact CG-CZ2 3.72Å; F322-W343 HydrophobicContact CG-CZ2 3.72Å; I324-W343 HydrophobicContact CD1-CD2 4.19Å; I324-W343 HydrophobicContact CD1-CE3 4.16Å; I324-W343 HydrophobicContact CD1-CH2 3.79Å; I324-W343 HydrophobicContact CD1-CZ2 3.73Å; I324-W343 HydrophobicContact CD1-CZ3 3.98Å; I324-W343 HydrophobicContact CG2-CB 4.22Å; I324-W343 HydrophobicContact CG2-CD2 3.59Å; I324-W343 HydrophobicContact CG2-CE3 4.2Å; I324-W343 HydrophobicContact CG2-CG 3.54Å; Q330-W343 HydrophobicContact CB-CE3 3.8Å; Q330-W343 HydrophobicContact CB-CZ3 3.88Å; V334-W343 HydrophobicContact CG2-CH2 4.37Å; V334-W343 HydrophobicContact CG2-CZ2 3.98Å; S341-W343 PolarHBondContact OG-NE1 3.15Å; W343-E345 PolarHBondContact O-N 3.34Å
344	M	95.7	Very high	90.2	Very high	27 Å²	27	60 Å²	60	13%	0.133	33%	0.332	C	S	.	.			trans	-63.4	131.6	173.9	-174.5	178.6	-174.3	0	0	109.9	I331 I346 P353 L358 W361	I331-M344 HydrophobicContact CG2-CB 3.72Å; I331-M344 HydrophobicContact CG2-CG 4.44Å; I331-M344 HydrophobicContact CG2-SD 3.92Å; I331-M344 PolarHBondContact O-N 3.2Å; M344-I346 HydrophobicContact CG-CG1 4.41Å; M344-I346 PolarHBondContact O-N 3.37Å; M344-I346 VanDerWaalsContact O-N 3.1Å; M344-P353 HydrophobicContact CE-CB 3.68Å; M344-P353 HydrophobicContact CE-CG 4.18Å; M344-P353 HydrophobicContact SD-CB 4.36Å; M344-P353 HydrophobicContact SD-CG 4.22Å; M344-L358 HydrophobicContact SD-CD1 4.08Å; M344-W361 HydrophobicContact CB-CD2 4.22Å; M344-W361 HydrophobicContact CB-CG 4.46Å; M344-W361 HydrophobicContact CB-CZ2 4.19Å; M344-W361 HydrophobicContact CE-CB 4.43Å; M344-W361 HydrophobicContact CG-CD2 4.46Å; M344-W361 HydrophobicContact CG-CG 4.2Å; M344-W361 HydrophobicContact SD-CB 4.37Å; M344-W361 HydrophobicContact SD-CD2 4.49Å; M344-W361 HydrophobicContact SD-CG 4.16Å
345	E	91.4	Very high	90.2	Very high	185 Å²	185	61.2 Å²	61.2	86%	0.864	34%	0.342	S	S	*	.			trans	-71	106.1	173	-67.7	-168.9	165.5	0	0	110.3	W343	W343-E345 PolarHBondContact O-N 3.34Å
346	I	88.8	Confident	90.3	Very high	30 Å²	30	66.9 Å²	66.9	15%	0.154	37%	0.368	C	S	.	.			trans	-105.7	107.6	171.2	-58.8	174.5	0	0	0	107	F284 M344 D348 L352	F284-I346 HydrophobicContact CE2-CD1 4.39Å; M344-I346 HydrophobicContact CG-CG1 4.41Å; M344-I346 PolarHBondContact O-N 3.37Å; M344-I346 VanDerWaalsContact O-N 3.1Å; I346-D348 PolarHBondContact O-N 3.01Å; I346-L352 HydrophobicContact CG2-CD2 4.49Å
347	P	77.8	Confident	90.4	Very high	99 Å²	99	69.7 Å²	69.7	64%	0.643	38%	0.378	S	S	*	.			trans	-60.6	-42.6	-169.4	-25.8	34.6	0	0	0	114.2
348	D	77.1	Confident	90.7	Very high	58 Å²	58	63.9 Å²	63.9	31%	0.31	34%	0.343	S	S	.	.			trans	-158.3	174.8	174.1	63.6	42.1	0	0	0	112	I346 D350 D351	I346-D348 PolarHBondContact O-N 3.01Å; D348-D350 VanDerWaalsContact C-N 3.27Å; D348-D350 PolarHBondContact O-N 3.23Å; D348-D350 PolarHBondContact OD1-N 3.1Å; D348-D351 PolarHBondContact O-N 3.47Å; D348-D351 WeakPolarHBondContact OD1-CB 3.3Å; D348-D351 PolarHBondContact OD1-N 2.79Å
349	D	71.6	Confident	90.9	Very high	39 Å²	39	61.3 Å²	61.3	21%	0.209	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.4	-174.6	-48.5	-41.9	0	0	0	112.6	R328	R328-D349 WeakPolarHBondContact CB-OD1 3.11Å; R328-D349 WeakPolarHBondContact CD-OD1 3.13Å; R328-D349 WeakPolarHBondContact CG-OD1 3.35Å; R328-D349 IonicContact CZ-OD1 2.77Å; R328-D349 IonicContact CZ-OD2 3.67Å; R328-D349 VanDerWaalsContact CZ-OD2 3.23Å; R328-D349 IonicContact NE-OD1 3.9Å; R328-D349 PolarHBondContact NE-OD1 2.84Å; R328-D349 IonicContact NE-OD2 3.95Å; R328-D349 PolarHBondContact NE-OD2 3.22Å; R328-D349 IonicContact NH2-OD1 3.34Å; R328-D349 IonicContact NH2-OD2 3.78Å; R328-D349 PolarHBondContact NH2-OD2 3.09Å
350	D	75.3	Confident	91.2	Very high	150 Å²	150	64 Å²	64	80%	0.802	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-18	178.5	-73	-48.6	0	0	0	111.9	D348	D348-D350 VanDerWaalsContact C-N 3.27Å; D348-D350 PolarHBondContact O-N 3.23Å; D348-D350 PolarHBondContact OD1-N 3.1Å
351	D	86.2	Confident	91.3	Very high	101 Å²	101	62.4 Å²	62.4	54%	0.54	33%	0.327	S	S	.	.	S	Bend	trans	-111.3	46.3	-176.6	-71.5	-28.5	0	0	0	111.9	D348	D348-D351 PolarHBondContact O-N 3.47Å; D348-D351 WeakPolarHBondContact OD1-CB 3.3Å; D348-D351 PolarHBondContact OD1-N 2.79Å
352	L	93.4	Very high	91.3	Very high	26 Å²	26	62 Å²	62	14%	0.136	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-56.5	142.4	172.5	-67.7	177.8	0	0	0	111.5	E283 F284 I287 P329 I346	E283-L352 HydrophobicContact CB-CD1 3.93Å; E283-L352 HydrophobicContact CG-CD1 3.88Å; F284-L352 HydrophobicContact CB-CD1 4.13Å; F284-L352 HydrophobicContact CB-CD2 4.31Å; F284-L352 HydrophobicContact CD2-CD2 4.19Å; I287-L352 HydrophobicContact CD1-CB 4.32Å; P329-L352 HydrophobicContact CB-CD2 4.12Å; P329-L352 HydrophobicContact CG-CD2 3.96Å; I346-L352 HydrophobicContact CG2-CD2 4.49Å
353	P	95.4	Very high	91.2	Very high	8 Å²	8	66 Å²	66	5%	0.052	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-65.8	145.2	-179.9	29.3	-35.7	0	0	0	110.8	F284 I287 M344 E357	F284-P353 HydrophobicContact CD2-CG 4.37Å; F284-P353 HydrophobicContact CE2-CG 3.77Å; I287-P353 VanDerWaalsContact CD1-O 3.25Å; I287-P353 WeakPolarHBondContact CD1-O 3.41Å; M344-P353 HydrophobicContact CE-CB 3.68Å; M344-P353 HydrophobicContact CE-CG 4.18Å; M344-P353 HydrophobicContact SD-CB 4.36Å; M344-P353 HydrophobicContact SD-CG 4.22Å; P353-E357 HydrophobicContact CB-CB 4.22Å
354	T	96.3	Very high	91.1	Very high	74 Å²	74	66.8 Å²	66.8	45%	0.454	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69.6	162.8	167.7	63.2	0	0	0	0	110.8	E356 E357 L358	T354-E356 PolarHBondContact O-N 3.21Å; T354-E357 WeakPolarHBondContact CB-OE2 3.46Å; T354-E357 WeakPolarHBondContact CG2-OE2 3.22Å; T354-E357 PolarHBondContact N-OE2 2.81Å; T354-E357 PolarHBondContact O-N 3.06Å; T354-E357 WeakPolarHBondContact OG1-CG 3.43Å; T354-E357 PolarHBondContact OG1-N 2.94Å; T354-E357 PolarHBondContact OG1-OE2 3.04Å; T354-L358 WeakPolarHBondContact O-CB 3.29Å; T354-L358 PolarHBondContact O-N 2.88Å
355	A	97.1	Very high	91	Very high	26 Å²	26	65.9 Å²	65.9	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-35.3	175.5	0	0	0	0	0	112.8	I287 Q290 V291 E359	I287-A355 HydrophobicContact CG2-CB 4.29Å; Q290-A355 HydrophobicContact CG-CB 4.19Å; V291-A355 HydrophobicContact CG2-CB 3.86Å; V291-A355 WeakPolarHBondContact CG2-O 3.43Å; A355-E359 VanDerWaalsContact O-CB 3.25Å; A355-E359 WeakPolarHBondContact O-CB 3.49Å; A355-E359 PolarHBondContact O-N 3.29Å
356	E	97	Very high	91.1	Very high	142 Å²	142	60.3 Å²	60.3	66%	0.664	32%	0.319	S	S	*	.	H	α-helix	trans	-67.9	-45.1	177.6	-174.6	175.6	-175.1	0	0	111.4	T354 L358 E359 D360	T354-E356 PolarHBondContact O-N 3.21Å; E356-L358 VanDerWaalsContact C-N 3.31Å; E356-L358 PolarHBondContact O-N 3.42Å; E356-E359 PolarHBondContact O-N 3.03Å; E356-D360 PolarHBondContact O-N 3.28Å
357	E	96.8	Very high	91.3	Very high	103 Å²	103	62.3 Å²	62.3	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-36.5	177	-71.5	161.4	148.4	0	0	112.2	P353 T354 W361	P353-E357 HydrophobicContact CB-CB 4.22Å; T354-E357 WeakPolarHBondContact CB-OE2 3.46Å; T354-E357 WeakPolarHBondContact CG2-OE2 3.22Å; T354-E357 PolarHBondContact N-OE2 2.81Å; T354-E357 PolarHBondContact O-N 3.06Å; T354-E357 WeakPolarHBondContact OG1-CG 3.43Å; T354-E357 PolarHBondContact OG1-N 2.94Å; T354-E357 PolarHBondContact OG1-OE2 3.04Å; E357-W361 PolarHBondContact O-N 3.28Å; E357-W361 VanDerWaalsContact O-N 3.16Å
358	L	97.1	Very high	91.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71	-40.8	176.9	-175.6	58.3	0	0	0	112	F284 I287 L288 V291 I331 M344 T354 E356 W361 I362	F284-L358 HydrophobicContact CE2-CD2 4.47Å; I287-L358 HydrophobicContact CG2-CD2 3.88Å; L288-L358 HydrophobicContact CD2-CD2 3.84Å; L288-L358 HydrophobicContact CG-CD2 4.47Å; V291-L358 HydrophobicContact CG2-CB 4.14Å; V291-L358 HydrophobicContact CG2-CD2 3.98Å; V291-L358 HydrophobicContact CG2-CG 4.18Å; I331-L358 HydrophobicContact CD1-CD1 3.69Å; I331-L358 HydrophobicContact CG2-CD1 3.83Å; M344-L358 HydrophobicContact SD-CD1 4.08Å; T354-L358 WeakPolarHBondContact O-CB 3.29Å; T354-L358 PolarHBondContact O-N 2.88Å; E356-L358 VanDerWaalsContact C-N 3.31Å; E356-L358 PolarHBondContact O-N 3.42Å; L358-W361 PolarHBondContact O-N 2.86Å; L358-I362 HydrophobicContact CG-CD1 4.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.48Å; L358-I362 PolarHBondContact O-N 2.98Å
359	E	96.5	Very high	92.4	Very high	51 Å²	51	63.4 Å²	63.4	24%	0.238	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-47.2	174.7	-177.5	171.1	-152.1	0	0	111.2	V291 N295 A355 E356 W361 I362 E363	V291-E359 HydrophobicContact CG1-CB 4.46Å; N295-E359 PolarHBondContact ND2-OE1 3.09Å; N295-E359 PolarHBondContact OD1-OE1 3.03Å; A355-E359 VanDerWaalsContact O-CB 3.25Å; A355-E359 WeakPolarHBondContact O-CB 3.49Å; A355-E359 PolarHBondContact O-N 3.29Å; E356-E359 PolarHBondContact O-N 3.03Å; E359-W361 VanDerWaalsContact C-N 3.3Å; E359-W361 PolarHBondContact O-N 3.47Å; E359-I362 PolarHBondContact O-N 2.71Å; E359-I362 VanDerWaalsContact O-N 3.15Å; E359-E363 WeakPolarHBondContact O-CG 3.47Å; E359-E363 PolarHBondContact O-N 3.41Å
360	D	96.8	Very high	93.1	Very high	88 Å²	88	63.3 Å²	63.3	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-56.4	-43.2	175.5	-81.5	-12.3	0	0	0	111.7	E356 E363 D364	E356-D360 PolarHBondContact O-N 3.28Å; D360-E363 PolarHBondContact O-N 3.06Å; D360-D364 PolarHBondContact O-N 3.39Å
361	W	97.4	Very high	93.6	Very high	29 Å²	29	58.3 Å²	58.3	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-42.3	177.6	-175	90.4	0	0	0	112	I270 I331 V333 M344 E357 L358 E359 D364 V365 I370	I270-W361 HydrophobicContact CG2-CZ3 4.4Å; I331-W361 HydrophobicContact CD1-CZ3 4.28Å; I331-W361 HydrophobicContact CG1-CZ3 4.13Å; V333-W361 HydrophobicContact CG2-CH2 3.84Å; M344-W361 HydrophobicContact CB-CD2 4.22Å; M344-W361 HydrophobicContact CB-CG 4.46Å; M344-W361 HydrophobicContact CB-CZ2 4.19Å; M344-W361 HydrophobicContact CE-CB 4.43Å; M344-W361 HydrophobicContact CG-CD2 4.46Å; M344-W361 HydrophobicContact CG-CG 4.2Å; M344-W361 HydrophobicContact SD-CB 4.37Å; M344-W361 HydrophobicContact SD-CD2 4.49Å; M344-W361 HydrophobicContact SD-CG 4.16Å; E357-W361 PolarHBondContact O-N 3.28Å; E357-W361 VanDerWaalsContact O-N 3.16Å; L358-W361 PolarHBondContact O-N 2.86Å; E359-W361 VanDerWaalsContact C-N 3.3Å; E359-W361 PolarHBondContact O-N 3.47Å; W361-D364 PolarHBondContact O-N 3.2Å; W361-V365 HydrophobicContact CD2-CG2 4.24Å; W361-V365 HydrophobicContact CE3-CG2 4Å; W361-V365 HydrophobicContact CH2-CG2 3.71Å; W361-V365 HydrophobicContact CZ2-CG2 3.97Å; W361-V365 HydrophobicContact CZ3-CG2 3.74Å; W361-V365 WeakPolarHBondContact O-CG2 3.26Å; W361-V365 PolarHBondContact O-N 3.4Å; W361-I370 HydrophobicContact CD2-CD1 4.46Å; W361-I370 HydrophobicContact CG-CD1 4.17Å; W361-I370 HydrophobicContact CZ2-CG2 4.41Å
362	I	95.9	Very high	93.5	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-40.7	176	-70.5	173.1	0	0	0	111	I270 V291 L301 I303 I331 L358 E359 D364 V365 L366	I270-I362 HydrophobicContact CD1-CG2 4.14Å; V291-I362 HydrophobicContact CG1-CD1 3.9Å; L301-I362 HydrophobicContact CD1-CG2 3.59Å; I303-I362 HydrophobicContact CD1-CD1 3.7Å; I303-I362 HydrophobicContact CG1-CD1 4.46Å; I331-I362 HydrophobicContact CD1-CD1 4.42Å; L358-I362 HydrophobicContact CG-CD1 4.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.48Å; L358-I362 PolarHBondContact O-N 2.98Å; E359-I362 PolarHBondContact O-N 2.71Å; E359-I362 VanDerWaalsContact O-N 3.15Å; I362-D364 VanDerWaalsContact C-N 3.28Å; I362-D364 PolarHBondContact O-N 2.92Å; I362-V365 WeakPolarHBondContact O-CB 3.43Å; I362-V365 PolarHBondContact O-N 2.9Å; I362-L366 HydrophobicContact CG2-CD1 3.99Å; I362-L366 HydrophobicContact CG2-CG 4.17Å; I362-L366 WeakPolarHBondContact O-CG 3.34Å; I362-L366 PolarHBondContact O-N 2.86Å
363	E	94.8	Very high	92.8	Very high	106 Å²	106	59.9 Å²	59.9	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-38.5	174.9	-73.3	-166.8	169.8	0	0	112	E359 D360 L366 S367	E359-E363 WeakPolarHBondContact O-CG 3.47Å; E359-E363 PolarHBondContact O-N 3.41Å; D360-E363 PolarHBondContact O-N 3.06Å; E363-L366 PolarHBondContact O-N 2.9Å; E363-S367 VanDerWaalsContact O-CB 3.26Å; E363-S367 WeakPolarHBondContact O-CB 3.46Å; E363-S367 PolarHBondContact O-N 3.45Å; E363-S367 PolarHBondContact O-OG 2.86Å
364	D	95.4	Very high	91.3	Very high	54 Å²	54	64.3 Å²	64.3	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-66.8	-37.1	175.6	-81.1	-9.7	0	0	0	112.2	D360 W361 I362 S367 G368 K369 I370	D360-D364 PolarHBondContact O-N 3.39Å; W361-D364 PolarHBondContact O-N 3.2Å; I362-D364 VanDerWaalsContact C-N 3.28Å; I362-D364 PolarHBondContact O-N 2.92Å; D364-S367 WeakPolarHBondContact CA-OG 3.45Å; D364-S367 PolarHBondContact O-OG 3.26Å; D364-G368 PolarHBondContact O-N 3.11Å; D364-K369 HydrophobicContact CB-CB 4.28Å; D364-K369 WeakPolarHBondContact O-CB 3.36Å; D364-K369 PolarHBondContact O-N 3Å; D364-K369 WeakPolarHBondContact OD1-CD 3.28Å; D364-K369 WeakPolarHBondContact OD1-CE 3.44Å; D364-K369 IonicContact OD1-NZ 2.65Å; D364-K369 PolarHBondContact OD1-NZ 3.26Å; D364-I370 HydrophobicContact CB-CD1 3.71Å; D364-I370 HydrophobicContact CB-CG1 3.98Å; D364-I370 PolarHBondContact O-N 3.29Å; D364-I370 VanDerWaalsContact O-N 3.11Å
365	V	93.8	Very high	89.4	Confident	7 Å²	7	66 Å²	66	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-53.6	169.8	167.8	0	0	0	0	111.5	I268 I270 V333 W361 I362 S367 G368 I370	I268-V365 HydrophobicContact CD1-CG1 4.44Å; I270-V365 HydrophobicContact CD1-CG1 4.13Å; I270-V365 HydrophobicContact CG1-CG1 4.22Å; V333-V365 HydrophobicContact CG2-CB 4.13Å; V333-V365 HydrophobicContact CG2-CG1 3.43Å; V333-V365 VanDerWaalsContact CG2-CG1 3.43Å; V333-V365 HydrophobicContact CG2-CG2 3.51Å; W361-V365 HydrophobicContact CD2-CG2 4.24Å; W361-V365 HydrophobicContact CE3-CG2 4Å; W361-V365 HydrophobicContact CH2-CG2 3.71Å; W361-V365 HydrophobicContact CZ2-CG2 3.97Å; W361-V365 HydrophobicContact CZ3-CG2 3.74Å; W361-V365 WeakPolarHBondContact O-CG2 3.26Å; W361-V365 PolarHBondContact O-N 3.4Å; I362-V365 WeakPolarHBondContact O-CB 3.43Å; I362-V365 PolarHBondContact O-N 2.9Å; V365-S367 PolarHBondContact O-N 3.17Å; V365-G368 WeakPolarHBondContact O-CA 3.5Å; V365-G368 PolarHBondContact O-N 2.65Å; V365-I370 HydrophobicContact CG2-CB 3.81Å; V365-I370 HydrophobicContact CG2-CD1 4.4Å; V365-I370 HydrophobicContact CG2-CG2 3.79Å
366	L	92.4	Very high	87.4	Confident	68 Å²	68	71.8 Å²	71.8	36%	0.356	37%	0.371	S	S	.	.	H	α-helix	trans	-64.8	-28.9	-176.4	-67.1	-179.1	0	0	0	112.5	I270 D300 L301 I362 E363 G368	I270-L366 HydrophobicContact CD1-CD2 4.31Å; D300-L366 WeakPolarHBondContact O-CD2 3.36Å; L301-L366 HydrophobicContact CB-CD1 4.36Å; L301-L366 HydrophobicContact CD1-CD1 4.4Å; I362-L366 HydrophobicContact CG2-CD1 3.99Å; I362-L366 HydrophobicContact CG2-CG 4.17Å; I362-L366 WeakPolarHBondContact O-CG 3.34Å; I362-L366 PolarHBondContact O-N 2.86Å; E363-L366 PolarHBondContact O-N 2.9Å; L366-G368 VanDerWaalsContact C-N 3.28Å
367	S	92.9	Very high	85	Confident	72 Å²	72	73.1 Å²	73.1	50%	0.503	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.8	173.9	65.4	0	0	0	0	114	E363 D364 V365 K369	E363-S367 VanDerWaalsContact O-CB 3.26Å; E363-S367 WeakPolarHBondContact O-CB 3.46Å; E363-S367 PolarHBondContact O-N 3.45Å; E363-S367 PolarHBondContact O-OG 2.86Å; D364-S367 WeakPolarHBondContact CA-OG 3.45Å; D364-S367 PolarHBondContact O-OG 3.26Å; V365-S367 PolarHBondContact O-N 3.17Å; S367-K369 VanDerWaalsContact C-N 3.31Å
368	G	89.6	Confident	82.7	Confident	38 Å²	38	75.8 Å²	75.8	39%	0.392	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	9.9	-180	0	0	0	0	0	114.5	D364 V365 L366 I370 N371	D364-G368 PolarHBondContact O-N 3.11Å; V365-G368 WeakPolarHBondContact O-CA 3.5Å; V365-G368 PolarHBondContact O-N 2.65Å; L366-G368 VanDerWaalsContact C-N 3.28Å; G368-I370 VanDerWaalsContact C-N 3.3Å; G368-N371 PolarHBondContact O-ND2 2.89Å
369	K	88.3	Confident	80.3	Confident	142 Å²	142	83.4 Å²	83.4	62%	0.617	44%	0.436	S	S	*	.	S	Bend	trans	-70.8	-30.7	173.1	-64.1	-175.7	-149.8	148.3	0	111.9	D364 S367	D364-K369 HydrophobicContact CB-CB 4.28Å; D364-K369 WeakPolarHBondContact O-CB 3.36Å; D364-K369 PolarHBondContact O-N 3Å; D364-K369 WeakPolarHBondContact OD1-CD 3.28Å; D364-K369 WeakPolarHBondContact OD1-CE 3.44Å; D364-K369 IonicContact OD1-NZ 2.65Å; D364-K369 PolarHBondContact OD1-NZ 3.26Å; S367-K369 VanDerWaalsContact C-N 3.31Å
370	I	86.1	Confident	78	Confident	37 Å²	37	88.8 Å²	88.8	19%	0.19	47%	0.466	C	S	.	.	S	Bend	trans	-109.1	119	168.2	-62.4	172.3	0	0	0	106.2	V342 W361 D364 V365 G368	V342-I370 HydrophobicContact CG1-CG2 3.95Å; W361-I370 HydrophobicContact CD2-CD1 4.46Å; W361-I370 HydrophobicContact CG-CD1 4.17Å; W361-I370 HydrophobicContact CZ2-CG2 4.41Å; D364-I370 HydrophobicContact CB-CD1 3.71Å; D364-I370 HydrophobicContact CB-CG1 3.98Å; D364-I370 PolarHBondContact O-N 3.29Å; D364-I370 VanDerWaalsContact O-N 3.11Å; V365-I370 HydrophobicContact CG2-CB 3.81Å; V365-I370 HydrophobicContact CG2-CD1 4.4Å; V365-I370 HydrophobicContact CG2-CG2 3.79Å; G368-I370 VanDerWaalsContact C-N 3.3Å
371	N	86.7	Confident	75.8	Confident	45 Å²	45	91.9 Å²	91.9	24%	0.241	48%	0.483	C	S	.	.			trans	-149.3	165.5	178.6	65.2	68.5	0	0	0	109	V342 G368 E373 D374	V342-N371 WeakPolarHBondContact CG2-O 3.39Å; G368-N371 PolarHBondContact O-ND2 2.89Å; N371-E373 VanDerWaalsContact C-N 3.32Å; N371-E373 WeakPolarHBondContact OD1-CA 3.49Å; N371-E373 PolarHBondContact OD1-N 3.32Å; N371-D374 PolarHBondContact ND2-OD2 2.93Å; N371-D374 PolarHBondContact OD1-N 2.75Å
372	T	84.9	Confident	73.6	Confident	8 Å²	8	98.7 Å²	98.7	5%	0.049	52%	0.521	C	S	.	.	S	Bend	trans	-77.7	-16.2	-178	61.5	0	0	0	0	113.3	V333 N335 D340 V342	V333-T372 HydrophobicContact CG1-CG2 4.49Å; N335-T372 HydrophobicContact CB-CG2 4.32Å; D340-T372 WeakPolarHBondContact OD2-CB 3.49Å; V342-T372 HydrophobicContact CG2-CG2 4.36Å
373	E	78.7	Confident	71.5	Confident	152 Å²	152	104.8 Å²	104.8	71%	0.71	55%	0.554	S	S	*	*	S	Bend	trans	-84.8	-19.9	-173.6	-59.5	-175	169.8	0	0	113.5	N371	N371-E373 VanDerWaalsContact C-N 3.32Å; N371-E373 WeakPolarHBondContact OD1-CA 3.49Å; N371-E373 PolarHBondContact OD1-N 3.32Å
374	D	62.8	Low	69.4	Low	101 Å²	101	107 Å²	107	54%	0.54	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-83	-10	-175.5	-73.8	-22.5	0	0	0	114.2	N371 D376	N371-D374 PolarHBondContact ND2-OD2 2.93Å; N371-D374 PolarHBondContact OD1-N 2.75Å; D374-D376 PolarHBondContact O-N 3Å
375	D	57	Low	67.3	Low	111 Å²	111	110.6 Å²	110.6	59%	0.594	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-75.7	-5.6	178.5	-85	-2.4	0	0	0	113.6	V342	V342-D375 WeakPolarHBondContact CG2-OD2 3.49Å
376	D	54.1	Low	65.2	Low	146 Å²	146	117.9 Å²	117.9	78%	0.781	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-90.8	-2	-176.4	-87.2	-21.4	0	0	0	114.7	D374	D374-D376 PolarHBondContact O-N 3Å
377	E	47.7	Very low	63.3	Low	170 Å²	170	118.3 Å²	118.3	79%	0.794	64%	0.636	S	S	*	*	S	Bend	trans	-101.2	-0.7	-169.3	-71.9	-155	166.4	0	0	118.1
378	D	47.6	Very low	61.4	Low	160 Å²	160	121 Å²	121	86%	0.856	65%	0.645	S	S	*	*	S	Bend	trans	-118.3	48.5	-169.3	-84.3	-19.5	0	0	0	116.6
379	D	47.8	Very low	59.5	Low	160 Å²	160	126.6 Å²	126.6	86%	0.856	66%	0.661	S	S	*	*			trans	-142.1	31.6	175.2	-113.5	-3.7	0	0	0	115.7
380	D	46.9	Very low	57.6	Low	163 Å²	163	125.5 Å²	125.5	87%	0.872	66%	0.662	S	S	*	*			trans	-134.6	57	173.9	-91.7	-26	0	0	0	112.7
381	D	51.9	Low	55.7	Low	154 Å²	154	129.6 Å²	129.6	82%	0.824	68%	0.684	S	S	*	*			trans	-137.3	84.2	163.5	-98.7	-20.6	0	0	0	110.6
382	D	49.5	Very low	53.9	Low	171 Å²	171	133.6 Å²	133.6	91%	0.914	71%	0.706	S	S	*	*			trans	-136.4	81	153.6	-101.3	-22.3	0	0	0	110	D384	D382-D384 PolarHBondContact O-N 3.39Å
383	D	52	Low	52.2	Low	135 Å²	135	139.8 Å²	139.8	72%	0.722	74%	0.738	S	S	*	*			trans	-77.2	95.9	166.9	-139	1.2	0	0	0	108.3
384	D	50.3	Low	50.9	Low	152 Å²	152	138 Å²	138	81%	0.813	74%	0.743	S	S	*	*			trans	-120.4	75.5	166.8	-115.9	-7.8	0	0	0	110.8	D382 N386	D382-D384 PolarHBondContact O-N 3.39Å; D384-N386 PolarHBondContact O-N 3.31Å
385	N	51.4	Low	50.3	Low	131 Å²	131	140 Å²	140	70%	0.701	75%	0.753	S	S	*	*			trans	-62.2	111	155.5	-84.4	-59.6	0	0	0	109.8
386	N	50.8	Low	49.8	Very low	160 Å²	160	141.2 Å²	141.2	86%	0.856	76%	0.76	S	S	*	*			trans	-126.6	101.9	145.9	-105.1	-41.9	0	0	0	110.1	D384	D384-N386 PolarHBondContact O-N 3.31Å
387	S	53.3	Low	49.6	Very low	77 Å²	77	140.3 Å²	140.3	54%	0.538	76%	0.755	S	S	.	*			trans	-78.1	158	170.1	60.8	0	0	0	0	111.2
388	D	51.4	Low	49.8	Very low	129 Å²	129	138.5 Å²	138.5	69%	0.69	75%	0.751	S	S	*	*			trans	77.1	138.6	153.6	-44.4	-36.5	0	0	0	117.1
389	E	49.4	Very low	50.1	Low	155 Å²	155	138.3 Å²	138.3	72%	0.724	75%	0.75	S	S	*	*			cis	-171.9	154.2	-2.5	-113.1	173.4	-179.4	0	0	105.1
390	D	48.3	Very low	49.6	Very low	118 Å²	118	143.5 Å²	143.5	63%	0.631	77%	0.769	S	S	*	*			trans	76	108.2	139.6	-69.3	-1.5	0	0	0	123.2
391	N	46.8	Very low	49.8	Very low	124 Å²	124	142.5 Å²	142.5	66%	0.663	76%	0.764	S	S	*	*				98.9	132	108.8	-74.8	-26.5	0	0	0	122.1
392	D	48.8	Very low	49.6	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	76%	0.76	S	S	*	*			trans	92.5	109.7	141.2	-63.9	-13.3	0	0	0	121.1
393	D	49.1	Very low	49.7	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	75%	0.752	S	S	*	*				60.8	120.1	128.9	-70.8	-15.9	0	0	0	119.5
394	S	51.1	Low	49.5	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	75%	0.754	S	S	*	*				-176.1	132.3	99	-64.9	0	0	0	0	111.2
395	D	50.3	Low	49.5	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	75%	0.75	S	S	*	*			trans	-32.4	143.4	163.6	-52.4	-53.1	0	0	0	116.3
396	D	48	Very low	49.3	Very low	137 Å²	137	140.5 Å²	140.5	73%	0.733	75%	0.753	S	S	*	*				166.9	142.2	94.3	-103.2	-23.5	0	0	0	112.5
397	D	49.2	Very low	49.2	Very low	127 Å²	127	139.1 Å²	139.1	68%	0.679	75%	0.746	S	S	*	*			trans	84	118.1	145	-63.7	-22.2	0	0	0	123.9
398	D	50.9	Low	48.9	Very low	132 Å²	132	143.8 Å²	143.8	71%	0.706	76%	0.762	S	S	*	*			trans	81	102.9	134.3	-64.7	-18.7	0	0	0	120.6
399	D	54.1	Low	48.7	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	77%	0.768	S	S	*	*				175.9	133	90.8	-93.8	-33.2	0	0	0	113.3
400	E	38.5	Very low	48.6	Very low	269 Å²	269	144.2 Å²	144.2	100%	1.257	77%	0.772	S	S	*	*			trans	74.6	0	165.4	-64.5	-167.4	165.7	0	0	123

Retrieved 400 of 400 residues in 77.5 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).