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Isoform 13 of Protocadherin-15 AlphaSync

Canonical isoform description: Calcium-dependent cell-adhesion protein. Required for inner ear neuroepithelial cell elaboration and cochlear function. Probably involved in the maintenance of normal retinal function.

AlphaFold DB , UniProt , Accession Q99PJ1-13 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 326 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	42	Very low	39.6	Very low	231 Å²	231	163 Å²	163	100%	1.138	82%	0.816	S	S	*	*				0	106.8	0	-163.9	163	138.6	0	0	106.8
2	F	35.5	Very low	40.2	Very low	190 Å²	190	159.7 Å²	159.7	83%	0.833	82%	0.815	S	S	*	*			trans	17.7	144.7	153.3	-56.1	-79.3	0	0	0	118.9
3	L	35.1	Very low	40.2	Very low	135 Å²	135	161.4 Å²	161.4	71%	0.707	82%	0.817	S	S	*	*			cis	-177.2	126.3	22.5	-145.5	73.4	0	0	0	104.1
4	Q	35.3	Very low	40.3	Very low	140 Å²	140	155.1 Å²	155.1	65%	0.654	81%	0.813	S	S	*	*				66.3	131.6	94.7	-125.7	-178.2	5	0	0	118.9
5	F	39	Very low	41	Very low	174 Å²	174	156.2 Å²	156.2	76%	0.763	82%	0.817	S	S	*	*			trans	75.4	146.3	158	-56.9	-61.8	0	0	0	119.4
6	A	43.6	Very low	41.6	Very low	85 Å²	85	155.7 Å²	155.7	70%	0.702	82%	0.815	S	S	*	*			cis	-163	149.6	1.8	0	0	0	0	0	111.3
7	V	39.6	Very low	42.3	Very low	134 Å²	134	155.1 Å²	155.1	81%	0.812	81%	0.81	S	S	*	*			trans	14.9	124	144.2	-164.6	0	0	0	0	120.6
8	W	38.7	Very low	42.8	Very low	250 Å²	250	151.2 Å²	151.2	95%	0.947	80%	0.804	S	S	*	*				-157.6	151.8	123.8	-144.7	-5.1	0	0	0	112.7
9	K	37.8	Very low	43.2	Very low	179 Å²	179	147.7 Å²	147.7	78%	0.778	79%	0.794	S	S	*	*			trans	-79.1	148.2	-167.8	-65.9	170.4	169.8	-179.2	0	112.3
10	C	46.3	Very low	43.5	Very low	133 Å²	133	147.4 Å²	147.4	90%	0.899	79%	0.791	S	S	*	*			trans	-145.3	129.9	146.5	-86	0	0	0	0	109.4
11	L	42.4	Very low	43.6	Very low	142 Å²	142	146 Å²	146	74%	0.743	78%	0.782	S	S	*	*			trans	-62.8	163.3	167.7	-86.4	94.5	0	0	0	110.9
12	P	47	Very low	43.9	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	76%	0.762	S	S	*	*				-144.2	158.2	105.5	30.2	-11	0	0	0	115.8
13	H	40.4	Very low	44.5	Very low	182 Å²	182	136.4 Å²	136.4	84%	0.843	75%	0.752	S	S	*	*			trans	-54.6	143.8	170.1	-60.2	-40.4	0	0	0	113.5
14	G	41.4	Very low	45.2	Very low	74 Å²	74	132.7 Å²	132.7	76%	0.763	74%	0.737	S	S	*	*			trans	168.8	48.8	167.9	0	0	0	0	0	117.8
15	I	51.4	Low	45.7	Very low	171 Å²	171	135.4 Å²	135.4	88%	0.877	74%	0.742	S	S	*	*			trans	-149	89.1	167.3	-51.1	176.6	0	0	0	109.2
16	L	50.5	Low	46.5	Very low	148 Å²	148	129.2 Å²	129.2	78%	0.775	73%	0.727	S	S	*	*			trans	-156.3	8.2	167.1	-107.8	173.8	0	0	0	115.8
17	I	54	Low	47.3	Very low	145 Å²	145	131.8 Å²	131.8	74%	0.744	72%	0.724	S	S	*	*	S	Bend	trans	-103.3	-11.4	-170.4	-60.1	176.3	0	0	0	114.1	S19	I17-S19 PolarHBondContact O-N 3.45Å
18	A	50.1	Low	48.6	Very low	85 Å²	85	129.8 Å²	129.8	70%	0.702	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-17.3	-175.2	0	0	0	0	0	115
19	S	51.1	Low	50.3	Low	86 Å²	86	122.4 Å²	122.4	60%	0.601	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-15.3	-173	-18.4	0	0	0	0	114.3	I17	I17-S19 PolarHBondContact O-N 3.45Å
20	L	49	Very low	52.8	Low	140 Å²	140	116.5 Å²	116.5	73%	0.733	66%	0.659	S	S	*	*	S	Bend	trans	-87.4	-19.1	-174.9	-83.2	154.7	0	0	0	113.8
21	L	45.3	Very low	55	Low	118 Å²	118	111 Å²	111	62%	0.618	62%	0.621	S	S	*	*	S	Bend	trans	-85.3	-22.5	-175.2	-84.1	153.8	0	0	0	114.3
22	V	48	Very low	57.5	Low	118 Å²	118	104.2 Å²	104.2	72%	0.715	59%	0.585	S	S	*	*	S	Bend	trans	-79.9	-23.8	179.7	-176.2	0	0	0	0	111.7	S24	V22-S24 VanDerWaalsContact C-N 3.34Å; V22-S24 PolarHBondContact O-N 2.81Å
23	V	48.6	Very low	59.8	Low	102 Å²	102	102.6 Å²	102.6	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-72.6	-26.4	-176.6	-174.3	0	0	0	0	112.3	W25	V23-W25 PolarHBondContact O-N 3.1Å
24	S	49.5	Very low	62.4	Low	57 Å²	57	95.8 Å²	95.8	40%	0.399	54%	0.535	S	S	.	.	H	α-helix	trans	-80.6	-15.6	-175.8	81.2	0	0	0	0	114.6	V22 Y28	V22-S24 VanDerWaalsContact C-N 3.34Å; V22-S24 PolarHBondContact O-N 2.81Å; S24-Y28 WeakPolarHBondContact O-CD2 3.42Å; S24-Y28 WeakPolarHBondContact O-CE2 3.44Å
25	W	45.8	Very low	64.8	Low	198 Å²	198	95.4 Å²	95.4	75%	0.75	53%	0.525	S	S	*	.	H	α-helix	trans	-86.3	-41.9	-175.6	-72.2	59.4	0	0	0	111.5	V23 Q27 Y28	V23-W25 PolarHBondContact O-N 3.1Å; W25-Q27 PolarHBondContact O-N 3.48Å; W25-Y28 PolarHBondContact O-N 2.94Å
26	G	56	Low	66.8	Low	44 Å²	44	90.6 Å²	90.6	45%	0.454	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-19.5	-179.5	0	0	0	0	0	114.4	Y28	G26-Y28 VanDerWaalsContact C-N 3.3Å; G26-Y28 PolarHBondContact O-N 3.43Å
27	Q	60.8	Low	68.8	Low	138 Å²	138	86.7 Å²	86.7	65%	0.645	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.7	-180	-164.8	167.9	-21.1	0	0	112.7	W25	W25-Q27 PolarHBondContact O-N 3.48Å
28	Y	66.1	Low	70.6	Confident	93 Å²	93	83.1 Å²	83.1	37%	0.365	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-22.5	-179.2	-64.3	-59	0	0	0	114.1	S24 W25 G26 D30 D31 T72 N122 K124	S24-Y28 WeakPolarHBondContact O-CD2 3.42Å; S24-Y28 WeakPolarHBondContact O-CE2 3.44Å; W25-Y28 PolarHBondContact O-N 2.94Å; G26-Y28 VanDerWaalsContact C-N 3.3Å; G26-Y28 PolarHBondContact O-N 3.43Å; Y28-D30 PolarHBondContact O-N 3.02Å; Y28-D31 PolarHBondContact O-N 3.24Å; Y28-T72 HydrophobicContact CE1-CG2 4.5Å; Y28-N122 PolarHBondContact O-ND2 2.83Å; Y28-K124 HydrophobicContact CD1-CD 3.34Å; Y28-K124 HydrophobicContact CD2-CD 4.05Å; Y28-K124 HydrophobicContact CE1-CD 3.75Å; Y28-K124 VanDerWaalsContact CE1-CE 3.46Å; Y28-K124 HydrophobicContact CE2-CD 4.38Å; Y28-K124 HydrophobicContact CG-CD 3.5Å; Y28-K124 VanDerWaalsContact CG-CD 3.5Å; Y28-K124 PolarHBondContact OH-NZ 3.44Å; Y28-K124 VanDerWaalsContact OH-NZ 3.1Å
29	D	75.8	Confident	72.7	Confident	95 Å²	95	82.9 Å²	82.9	51%	0.508	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.7	172.2	-76	-16.8	0	0	0	112.6	K33 V125	D29-K33 VanDerWaalsContact O-CE 3.26Å; D29-K33 WeakPolarHBondContact O-CE 3.37Å; D29-K33 PolarHBondContact O-NZ 3.04Å; D29-V125 WeakPolarHBondContact OD1-CG1 3.33Å
30	D	89.9	Confident	74.7	Confident	54 Å²	54	83.8 Å²	83.8	29%	0.289	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-15	-180	-96.8	12.6	0	0	0	113.9	Y28 K33 K63	Y28-D30 PolarHBondContact O-N 3.02Å; D30-K33 VanDerWaalsContact O-CB 3.31Å; D30-K33 WeakPolarHBondContact O-CB 3.47Å; D30-K33 WeakPolarHBondContact O-CG 3.18Å; D30-K33 PolarHBondContact O-N 3.26Å; D30-K33 VanDerWaalsContact O-N 3.09Å; D30-K33 IonicContact OD1-NZ 2.81Å; D30-K33 PolarHBondContact OD1-NZ 2.69Å; D30-K63 HydrophobicContact CB-CD 4.06Å; D30-K63 WeakPolarHBondContact O-CB 3.35Å; D30-K63 WeakPolarHBondContact O-CD 3.46Å; D30-K63 IonicContact OD2-NZ 3.94Å; D30-K63 PolarHBondContact OD2-NZ 3.41Å
31	D	92	Very high	76.9	Confident	17 Å²	17	77.8 Å²	77.8	9%	0.091	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	144	175.7	-81.4	-2.4	0	0	0	110.2	Y28 K33 G64 T72 I73 N122	Y28-D31 PolarHBondContact O-N 3.24Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 3.1Å; D31-G64 WeakPolarHBondContact OD1-CA 3.25Å; D31-T72 WeakPolarHBondContact OD2-CB 3.33Å; D31-T72 PolarHBondContact OD2-OG1 3.43Å; D31-I73 HydrophobicContact CB-CG2 3.81Å; D31-N122 VanDerWaalsContact CB-ND2 3.25Å; D31-N122 WeakPolarHBondContact CB-ND2 3.45Å; D31-N122 PolarHBondContact O-ND2 2.97Å
32	C	94.7	Very high	79.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-8	-166	-67.5	0	0	0	0	117.3	K63 C120 N122 I129 H131	C32-K63 PolarHBondContact N-O 2.94Å; C32-C120 WeakPolarHBondContact CA-SG 3.31Å; C32-C120 HydrophobicContact CB-CB 3.63Å; C32-C120 WeakPolarHBondContact CB-SG 3.3Å; C32-C120 WeakPolarHBondContact SG-CB 3.43Å; C32-C120 PolarHBondContact SG-O 2.81Å; C32-C120 CovalentContact SG-SG 2.03Å; C32-C120 PolarHBondContact SG-SG 3.18Å; C32-N122 PolarHBondContact SG-N 3.4Å; C32-N122 VanDerWaalsContact SG-N 3.44Å; C32-I129 HydrophobicContact CB-CB 4.3Å; C32-I129 HydrophobicContact CB-CD1 3.93Å; C32-I129 HydrophobicContact CB-CG1 4.29Å; C32-H131 PolarHBondContact O-CE1 3.38Å; C32-H131 PolarHBondContact O-NE2 2.79Å
33	K	94.9	Very high	81.7	Confident	90 Å²	90	72.3 Å²	72.3	39%	0.391	42%	0.423	S	S	.	.	S	Bend	trans	-78.6	155.7	171.5	-59.4	178.4	-167.8	160.5	0	110.9	D29 D30 D31 K63 I129	D29-K33 VanDerWaalsContact O-CE 3.26Å; D29-K33 WeakPolarHBondContact O-CE 3.37Å; D29-K33 PolarHBondContact O-NZ 3.04Å; D30-K33 VanDerWaalsContact O-CB 3.31Å; D30-K33 WeakPolarHBondContact O-CB 3.47Å; D30-K33 WeakPolarHBondContact O-CG 3.18Å; D30-K33 PolarHBondContact O-N 3.26Å; D30-K33 VanDerWaalsContact O-N 3.09Å; D30-K33 IonicContact OD1-NZ 2.81Å; D30-K33 PolarHBondContact OD1-NZ 2.69Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 3.1Å; K33-K63 WeakPolarHBondContact O-CB 3.33Å; K33-K63 WeakPolarHBondContact O-CG 3.27Å; K33-K63 PolarHBondContact O-N 3.12Å; K33-I129 HydrophobicContact CG-CD1 4.26Å
34	L	94.6	Very high	84	Confident	39 Å²	39	69 Å²	69	20%	0.204	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-69.3	135.6	173.9	-68.3	172.3	0	0	0	110.7	R36 I62	L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 HydrophobicContact CB-CG 4.25Å; L34-I62 HydrophobicContact CD2-CG1 4.18Å
35	A	93.7	Very high	86.3	Confident	66 Å²	66	68.6 Å²	68.6	55%	0.545	40%	0.403	S	S	.	.	S	Bend	trans	-89.7	7.1	173.3	0	0	0	0	0	112.6	L61 K63	A35-L61 HydrophobicContact CB-CB 4.47Å; A35-L61 WeakPolarHBondContact CB-O 3.22Å; A35-L61 PolarHBondContact N-O 3.14Å; A35-K63 HydrophobicContact CB-CG 3.85Å
36	R	92.6	Very high	88.8	Confident	69 Å²	69	59.8 Å²	59.8	26%	0.26	37%	0.371	S	S	.	.	S	Bend	trans	-114.4	154.1	177.5	64	175.1	-176.3	81.9	-5.4	111.4	L34 P39 A41 T42 L61	L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 HydrophobicContact CB-CG 4.25Å; R36-P39 PolarHBondContact NH1-O 3.33Å; R36-P39 VanDerWaalsContact NH1-O 3.07Å; R36-P39 PolarHBondContact NH2-O 2.99Å; R36-A41 PolarHBondContact NH2-O 2.88Å; R36-T42 PolarHBondContact NH2-OG1 2.89Å; R36-L61 HydrophobicContact CB-CB 4.41Å; R36-L61 HydrophobicContact CB-CD1 3.92Å; R36-L61 HydrophobicContact CG-CB 4.47Å; R36-L61 HydrophobicContact CG-CD1 4.49Å
37	G	91.9	Very high	90.8	Very high	66 Å²	66	60.5 Å²	60.5	68%	0.68	36%	0.364	S	S	*	.			trans	-74.6	-179.3	164	0	0	0	0	0	112.2
38	G	91.5	Very high	92.6	Very high	71 Å²	71	54.2 Å²	54.2	73%	0.732	33%	0.334	S	S	*	.	S	Bend	trans	94	-171.2	177	0	0	0	0	0	113.8
39	P	94.3	Very high	94.1	Very high	80 Å²	80	54.7 Å²	54.7	52%	0.519	34%	0.34	S	S	.	.			trans	-66.4	155.8	-178.8	28.5	-34.7	0	0	0	111.6	R36 A41	R36-P39 PolarHBondContact NH1-O 3.33Å; R36-P39 VanDerWaalsContact NH1-O 3.07Å; R36-P39 PolarHBondContact NH2-O 2.99Å; P39-A41 VanDerWaalsContact C-N 3.29Å; P39-A41 PolarHBondContact O-N 2.03Å
40	P	93.8	Very high	95.2	Very high	105 Å²	105	51.3 Å²	51.3	68%	0.682	32%	0.324	S	S	*	.	S	Bend	trans	-64.7	-32.3	-179.7	25.4	-34	0	0	0	112.8
41	A	95.3	Very high	95.5	Very high	14 Å²	14	58.8 Å²	58.8	12%	0.116	35%	0.348	C	S	.	.	S	Bend	trans	-74.5	137.8	174.8	0	0	0	0	0	111	R36 P39 I43 E132	R36-A41 PolarHBondContact NH2-O 2.88Å; P39-A41 VanDerWaalsContact C-N 3.29Å; P39-A41 PolarHBondContact O-N 2.03Å; A41-I43 HydrophobicContact CB-CG1 4.33Å; A41-E132 CarbonylContact C-O 3.54Å; A41-E132 WeakPolarHBondContact CA-O 3.42Å; A41-E132 HydrophobicContact CB-CB 4.32Å
42	T	96.8	Very high	95.8	Very high	14 Å²	14	61.8 Å²	61.8	9%	0.086	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114	167.4	-60	0	0	0	0	107.9	R36 V44 V57 M60 E132 V133 R134	R36-T42 PolarHBondContact NH2-OG1 2.89Å; T42-V44 HydrophobicContact CG2-CG1 4.36Å; T42-V57 HydrophobicContact CG2-CG1 4.32Å; T42-V57 HydrophobicContact CG2-CG2 4.02Å; T42-M60 HydrophobicContact CG2-SD 4.32Å; T42-E132 PolarHBondContact N-O 2.96Å; T42-V133 CarbonylContact O-C 3.21Å; T42-V133 VanDerWaalsContact O-CA 3.32Å; T42-V133 WeakPolarHBondContact O-CA 3.37Å; T42-R134 PolarHBondContact O-N 2.83Å
43	I	97.1	Very high	95.9	Very high	106 Å²	106	63.6 Å²	63.6	54%	0.544	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.3	-178.7	-53.3	177.2	0	0	0	108.5	A41 R134 V136	A41-I43 HydrophobicContact CB-CG1 4.33Å; I43-R134 WeakPolarHBondContact CA-O 3.45Å; I43-R134 HydrophobicContact CG1-CB 4.33Å; I43-V136 HydrophobicContact CG2-CG2 4.42Å
44	V	97.7	Very high	96	Very high	33 Å²	33	61.3 Å²	61.3	20%	0.2	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160.6	178.5	-63.5	0	0	0	0	109.9	T42 L56 V57 R134 I135 V136	T42-V44 HydrophobicContact CG2-CG1 4.36Å; V44-L56 WeakPolarHBondContact CG1-O 3.39Å; V44-L56 WeakPolarHBondContact CG2-O 3.35Å; V44-V57 HydrophobicContact CG1-CG2 4.07Å; V44-V57 HydrophobicContact CG2-CG2 4.38Å; V44-R134 PolarHBondContact N-O 3.35Å; V44-I135 HydrophobicContact CG2-CB 4.2Å; V44-I135 HydrophobicContact CG2-CG1 3.74Å; V44-I135 HydrophobicContact CG2-CG2 4.27Å; V44-I135 WeakPolarHBondContact O-CA 3.41Å; V44-V136 PolarHBondContact O-N 3.26Å
45	A	98.2	Very high	96.2	Very high	49 Å²	49	63.1 Å²	63.1	41%	0.405	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.3	177.2	0	0	0	0	0	110.1	V136 R138	A45-V136 VanDerWaalsContact CA-O 3.27Å; A45-V136 WeakPolarHBondContact CA-O 3.48Å; A45-V136 HydrophobicContact CB-CB 4.28Å; A45-R138 HydrophobicContact CB-CG 4.18Å
46	I	98.2	Very high	96.4	Very high	13 Å²	13	60.4 Å²	60.4	7%	0.067	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.6	174.5	59	164.4	0	0	0	109.2	T54 L56 L96 L103 I135 V136 R138	I46-T54 HydrophobicContact CG2-CG2 4.43Å; I46-L56 HydrophobicContact CD1-CD2 3.63Å; I46-L56 HydrophobicContact CG1-CD2 4.4Å; I46-L56 HydrophobicContact CG2-CD2 3.96Å; I46-L96 HydrophobicContact CD1-CD2 4.27Å; I46-L103 HydrophobicContact CD1-CD2 3.44Å; I46-L103 VanDerWaalsContact CD1-CD2 3.44Å; I46-L103 HydrophobicContact CG1-CD2 4.32Å; I46-I135 HydrophobicContact CD1-CG2 4.03Å; I46-I135 HydrophobicContact CG1-CG2 3.76Å; I46-V136 PolarHBondContact N-O 2.96Å; I46-R138 PolarHBondContact O-N 3.14Å
47	D	98.1	Very high	96.7	Very high	58 Å²	58	57.7 Å²	57.7	31%	0.31	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	147.1	172.9	-56.7	-22.7	0	0	0	109.2	S50 R138 R140	D47-S50 VanDerWaalsContact O-CB 3.3Å; D47-S50 WeakPolarHBondContact O-CB 3.48Å; D47-S50 PolarHBondContact O-OG 3.43Å; D47-R138 IonicContact OD1-CZ 3.28Å; D47-R138 IonicContact OD1-NE 2.99Å; D47-R138 PolarHBondContact OD1-NE 2.85Å; D47-R138 IonicContact OD1-NH2 3.82Å; D47-R138 PolarHBondContact OD1-NH2 2.96Å; D47-R138 IonicContact OD2-NH2 3.84Å; D47-R140 HydrophobicContact CB-CG 3.99Å
48	E	98.2	Very high	96.9	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.028	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	164.6	167.3	75.5	-175.3	104.3	0	0	112.2	S50 L103 R105 V137 R138 D139 R140	E48-S50 PolarHBondContact O-N 3.49Å; E48-L103 WeakPolarHBondContact CB-O 3.48Å; E48-R105 HydrophobicContact CB-CB 4.02Å; E48-R105 HydrophobicContact CG-CB 4.47Å; E48-R105 WeakPolarHBondContact OE2-CA 3.35Å; E48-R105 WeakPolarHBondContact OE2-CB 3.32Å; E48-R105 PolarHBondContact OE2-N 3.45Å; E48-V137 HydrophobicContact CB-CG1 3.64Å; E48-R138 PolarHBondContact N-O 2.8Å; E48-D139 WeakPolarHBondContact OE1-CA 3.49Å; E48-R140 HydrophobicContact CG-CB 3.82Å; E48-R140 HydrophobicContact CG-CG 3.88Å; E48-R140 PolarHBondContact OE1-N 3.28Å
49	E	97.2	Very high	97.1	Very high	103 Å²	103	60.5 Å²	60.5	48%	0.481	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	16.1	-172.6	-49.1	-152	130.5	0	0	114.8	R51 V102 L103	E49-R51 PolarHBondContact O-N 3.18Å; E49-V102 HydrophobicContact CB-CG1 3.94Å; E49-V102 HydrophobicContact CG-CG1 3.57Å; E49-V102 WeakPolarHBondContact OE1-CG1 3.36Å; E49-L103 PolarHBondContact N-O 2.8Å
50	S	97.9	Very high	97.2	Very high	24 Å²	24	56.8 Å²	56.8	17%	0.168	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-53.5	136.6	176.7	-84.4	0	0	0	0	111.5	D47 E48 L96 S98	D47-S50 VanDerWaalsContact O-CB 3.3Å; D47-S50 WeakPolarHBondContact O-CB 3.48Å; D47-S50 PolarHBondContact O-OG 3.43Å; E48-S50 PolarHBondContact O-N 3.49Å; S50-L96 VanDerWaalsContact O-CD2 3.31Å; S50-L96 WeakPolarHBondContact O-CD2 3.15Å; S50-S98 PolarHBondContact O-OG 3.38Å
51	R	97.5	Very high	97.4	Very high	212 Å²	212	55.3 Å²	55.3	80%	0.8	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-60.4	149.9	-176.7	-63.7	-177.9	-177.5	178.8	1.2	111.8	E49 G53 T54	E49-R51 PolarHBondContact O-N 3.18Å; R51-G53 PolarHBondContact O-N 3.5Å; R51-T54 WeakPolarHBondContact O-CB 3.32Å; R51-T54 PolarHBondContact O-N 2.88Å; R51-T54 VanDerWaalsContact O-N 3.13Å; R51-T54 PolarHBondContact O-OG1 2.78Å
52	N	97.6	Very high	97.4	Very high	80 Å²	80	55 Å²	55	43%	0.428	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	134.3	172.4	179.3	74.3	0	0	0	110.9	L96 N97 S98 T99	N52-L96 PolarHBondContact OD1-O 2.82Å; N52-N97 WeakPolarHBondContact OD1-CA 3.41Å; N52-S98 WeakPolarHBondContact CA-OG 3.41Å; N52-S98 PolarHBondContact N-OG 3.13Å; N52-S98 VanDerWaalsContact N-OG 3.09Å; N52-S98 PolarHBondContact OD1-N 2.92Å; N52-T99 PolarHBondContact ND2-OG1 3.35Å; N52-T99 VanDerWaalsContact ND2-OG1 3.14Å; N52-T99 PolarHBondContact OD1-N 3.34Å; N52-T99 VanDerWaalsContact OD1-N 3.16Å; N52-T99 PolarHBondContact OD1-OG1 3.09Å
53	G	97.1	Very high	97.4	Very high	37 Å²	37	57.8 Å²	57.8	38%	0.381	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	2	-175.6	0	0	0	0	0	115	R51 I55 L96	R51-G53 PolarHBondContact O-N 3.5Å; G53-I55 PolarHBondContact O-N 3.5Å; G53-L96 PolarHBondContact N-O 2.8Å
54	T	98	Very high	97.2	Very high	42 Å²	42	53.9 Å²	53.9	26%	0.258	29%	0.29	S	S	.	.			trans	-53.5	131.5	170.9	-69.6	0	0	0	0	110.3	I46 R51 L56 F95 L96	I46-T54 HydrophobicContact CG2-CG2 4.43Å; R51-T54 WeakPolarHBondContact O-CB 3.32Å; R51-T54 PolarHBondContact O-N 2.88Å; R51-T54 VanDerWaalsContact O-N 3.13Å; R51-T54 PolarHBondContact O-OG1 2.78Å; T54-L56 PolarHBondContact O-N 3.44Å; T54-F95 CarbonylContact O-C 3.41Å; T54-F95 WeakPolarHBondContact O-CA 3.31Å; T54-L96 PolarHBondContact O-N 3.22Å
55	I	98.2	Very high	97.1	Very high	77 Å²	77	56 Å²	56	40%	0.395	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	119.9	178.4	-55.6	168.1	0	0	0	108.2	G53 D58 M93 F95	G53-I55 PolarHBondContact O-N 3.5Å; I55-D58 WeakPolarHBondContact CG2-OD1 3Å; I55-M93 HydrophobicContact CD1-CE 3.78Å; I55-M93 HydrophobicContact CG1-CE 4.03Å; I55-M93 HydrophobicContact CG2-CE 3.86Å; I55-F95 HydrophobicContact CG1-CD1 4.04Å; I55-F95 HydrophobicContact CG1-CE1 3.9Å
56	L	98.1	Very high	97	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-43.4	176.4	-59.3	176.4	0	0	0	110.5	V44 I46 T54 V85 L94 L96 I135	V44-L56 WeakPolarHBondContact CG1-O 3.39Å; V44-L56 WeakPolarHBondContact CG2-O 3.35Å; I46-L56 HydrophobicContact CD1-CD2 3.63Å; I46-L56 HydrophobicContact CG1-CD2 4.4Å; I46-L56 HydrophobicContact CG2-CD2 3.96Å; T54-L56 PolarHBondContact O-N 3.44Å; L56-V85 HydrophobicContact CD1-CB 4.4Å; L56-V85 HydrophobicContact CD1-CG1 4.08Å; L56-V85 HydrophobicContact CD1-CG2 3.85Å; L56-L94 HydrophobicContact CB-CB 4.09Å; L56-L94 PolarHBondContact N-O 2.82Å; L56-L96 HydrophobicContact CD1-CB 4.45Å; L56-L96 HydrophobicContact CD2-CB 4.11Å; L56-L96 HydrophobicContact CG-CB 4.32Å; L56-I135 HydrophobicContact CD1-CG1 4.34Å; L56-I135 HydrophobicContact CD2-CG2 4.17Å
57	V	97.8	Very high	96.7	Very high	11 Å²	11	55.3 Å²	55.3	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	120.2	178	-178.4	0	0	0	0	108.5	T42 V44 M60 M93 L94 V133	T42-V57 HydrophobicContact CG2-CG1 4.32Å; T42-V57 HydrophobicContact CG2-CG2 4.02Å; V44-V57 HydrophobicContact CG1-CG2 4.07Å; V44-V57 HydrophobicContact CG2-CG2 4.38Å; V57-M60 HydrophobicContact CB-SD 4.47Å; V57-M60 HydrophobicContact CG1-CG 4.21Å; V57-M60 HydrophobicContact CG1-SD 3.89Å; V57-M60 HydrophobicContact CG2-SD 4.43Å; V57-M93 WeakPolarHBondContact O-CA 3.38Å; V57-L94 HydrophobicContact CB-CB 4.04Å; V57-L94 HydrophobicContact CB-CD1 4.22Å; V57-L94 HydrophobicContact CB-CG 4.2Å; V57-L94 HydrophobicContact CG2-CB 4.31Å; V57-L94 HydrophobicContact CG2-CD1 3.93Å; V57-L94 HydrophobicContact CG2-CG 4.42Å; V57-L94 PolarHBondContact N-O 2.75Å; V57-L94 PolarHBondContact O-N 2.91Å; V57-V133 HydrophobicContact CG2-CG1 4.04Å
58	D	96.6	Very high	96.4	Very high	118 Å²	118	55.5 Å²	55.5	63%	0.631	32%	0.317	S	S	*	.	S	Bend	trans	-69.1	-34.5	-180	-68.5	-42.9	0	0	0	113.1	I55 M93	I55-D58 WeakPolarHBondContact CG2-OD1 3Å; D58-M93 WeakPolarHBondContact O-CG 3.48Å
59	N	96.6	Very high	96.2	Very high	78 Å²	78	61.2 Å²	61.2	42%	0.417	36%	0.355	S	S	.	.			trans	-162.8	122.8	175.8	-167.2	-30.2	0	0	0	109.6	L61	N59-L61 HydrophobicContact CB-CD2 4.24Å; N59-L61 HydrophobicContact CB-CG 4.36Å; N59-L61 PolarHBondContact O-N 3.47Å; N59-L61 WeakPolarHBondContact OD1-CA 2.98Å; N59-L61 PolarHBondContact OD1-N 3.21Å
60	M	96.5	Very high	96	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	37%	0.366	C	S	.	.			trans	-67.2	-18.2	176.6	-74.2	-69.9	-65.5	0	0	113.6	T42 V57 I62 Q92 L94 V118 H131 V133	T42-M60 HydrophobicContact CG2-SD 4.32Å; V57-M60 HydrophobicContact CB-SD 4.47Å; V57-M60 HydrophobicContact CG1-CG 4.21Å; V57-M60 HydrophobicContact CG1-SD 3.89Å; V57-M60 HydrophobicContact CG2-SD 4.43Å; M60-I62 VanDerWaalsContact C-N 3.32Å; M60-I62 HydrophobicContact CB-CD1 3.83Å; M60-I62 HydrophobicContact CB-CG1 3.89Å; M60-I62 HydrophobicContact CE-CD1 4.39Å; M60-I62 HydrophobicContact CG-CD1 4.5Å; M60-I62 PolarHBondContact O-N 3.35Å; M60-Q92 HydrophobicContact CB-CB 4.1Å; M60-Q92 PolarHBondContact N-O 3.08Å; M60-L94 HydrophobicContact SD-CD1 4.13Å; M60-V118 HydrophobicContact CE-CB 4.16Å; M60-V118 HydrophobicContact CE-CG2 3.9Å; M60-V118 HydrophobicContact SD-CG2 4.42Å; M60-H131 HydrophobicContact CE-CB 3.74Å; M60-V133 HydrophobicContact CE-CG2 3.58Å; M60-V133 HydrophobicContact SD-CG2 3.69Å
61	L	96.5	Very high	95.8	Very high	75 Å²	75	63.4 Å²	63.4	39%	0.393	37%	0.37	S	S	.	.			trans	56.4	44.2	-178.5	-60.1	172.3	0	0	0	111.9	A35 R36 N59	A35-L61 HydrophobicContact CB-CB 4.47Å; A35-L61 WeakPolarHBondContact CB-O 3.22Å; A35-L61 PolarHBondContact N-O 3.14Å; R36-L61 HydrophobicContact CB-CB 4.41Å; R36-L61 HydrophobicContact CB-CD1 3.92Å; R36-L61 HydrophobicContact CG-CB 4.47Å; R36-L61 HydrophobicContact CG-CD1 4.49Å; N59-L61 HydrophobicContact CB-CD2 4.24Å; N59-L61 HydrophobicContact CB-CG 4.36Å; N59-L61 PolarHBondContact O-N 3.47Å; N59-L61 WeakPolarHBondContact OD1-CA 2.98Å; N59-L61 PolarHBondContact OD1-N 3.21Å
62	I	96.7	Very high	95.7	Very high	7 Å²	7	54 Å²	54	4%	0.036	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-86.1	128.9	173.4	-60	166.6	0	0	0	108.5	L34 M60 I73 L75 Q92 V118 C120	L34-I62 HydrophobicContact CD2-CG1 4.18Å; M60-I62 VanDerWaalsContact C-N 3.32Å; M60-I62 HydrophobicContact CB-CD1 3.83Å; M60-I62 HydrophobicContact CB-CG1 3.89Å; M60-I62 HydrophobicContact CE-CD1 4.39Å; M60-I62 HydrophobicContact CG-CD1 4.5Å; M60-I62 PolarHBondContact O-N 3.35Å; I62-I73 HydrophobicContact CG2-CD1 4.17Å; I62-L75 HydrophobicContact CD1-CD1 4.45Å; I62-L75 HydrophobicContact CD1-CD2 3.85Å; I62-L75 HydrophobicContact CG2-CD2 4.49Å; I62-Q92 PolarHBondContact O-NE2 3.41Å; I62-Q92 PolarHBondContact O-OE1 3.08Å; I62-V118 HydrophobicContact CD1-CG1 3.97Å; I62-C120 HydrophobicContact CG2-CB 4.42Å
63	K	95.6	Very high	95.6	Very high	73 Å²	73	50.3 Å²	50.3	32%	0.317	32%	0.316	S	S	.	.	S	Bend	trans	-63.6	136.4	176.1	-68.2	-175.3	-177.4	-174.6	0	110.8	D30 C32 K33 A35	D30-K63 HydrophobicContact CB-CD 4.06Å; D30-K63 WeakPolarHBondContact O-CB 3.35Å; D30-K63 WeakPolarHBondContact O-CD 3.46Å; D30-K63 IonicContact OD2-NZ 3.94Å; D30-K63 PolarHBondContact OD2-NZ 3.41Å; C32-K63 PolarHBondContact N-O 2.94Å; K33-K63 WeakPolarHBondContact O-CB 3.33Å; K33-K63 WeakPolarHBondContact O-CG 3.27Å; K33-K63 PolarHBondContact O-N 3.12Å; A35-K63 HydrophobicContact CB-CG 3.85Å
64	G	93.6	Very high	95.6	Very high	23 Å²	23	53.5 Å²	53.5	24%	0.237	32%	0.321	C	S	.	.	S	Bend	trans	112.6	169.2	-179.4	0	0	0	0	0	113	D31 T72	D31-G64 WeakPolarHBondContact OD1-CA 3.25Å; G64-T72 VanDerWaalsContact CA-OG1 3.32Å; G64-T72 WeakPolarHBondContact CA-OG1 3.34Å
65	T	95.3	Very high	95.6	Very high	79 Å²	79	52.2 Å²	52.2	49%	0.485	31%	0.313	S	S	.	.			trans	-116.2	118	-179.6	51.9	0	0	0	0	110.6	P71 T72 I73	T65-P71 CarbonylContact O-C 3.56Å; T65-P71 WeakPolarHBondContact O-CA 3.07Å; T65-P71 WeakPolarHBondContact O-CB 3.3Å; T65-T72 PolarHBondContact N-OG1 2.88Å; T65-T72 PolarHBondContact O-N 3.16Å; T65-I73 PolarHBondContact O-N 3.45Å
66	A	95.2	Very high	95.6	Very high	24 Å²	24	50.3 Å²	50.3	20%	0.198	31%	0.306	C	S	.	.	S	Bend	trans	-86.5	-20.7	178.1	0	0	0	0	0	113.4	P71 I73 L75 P89	A66-P71 WeakPolarHBondContact O-CB 3.38Å; A66-I73 WeakPolarHBondContact CA-O 3.49Å; A66-I73 HydrophobicContact CB-CD1 4.44Å; A66-I73 HydrophobicContact CB-CG1 4.02Å; A66-L75 HydrophobicContact CB-CD1 4.26Å; A66-L75 HydrophobicContact CB-CG 4.27Å; A66-P89 HydrophobicContact CB-CB 4.21Å; A66-P89 WeakPolarHBondContact CB-O 3.34Å
67	G	92.4	Very high	95.6	Very high	22 Å²	22	51.6 Å²	51.6	23%	0.227	31%	0.313	C	S	.	.	S	Bend	trans	-108.6	176.8	177.6	0	0	0	0	0	113.3
68	G	92	Very high	95.6	Very high	62 Å²	62	55.5 Å²	55.5	64%	0.639	33%	0.329	S	S	*	.	S	Bend	trans	91.3	-178.8	-177.5	0	0	0	0	0	113.3	D70	G68-D70 VanDerWaalsContact C-N 3.34Å
69	P	93.3	Very high	95.7	Very high	127 Å²	127	55.4 Å²	55.4	83%	0.825	33%	0.328	S	S	*	.	S	Bend	trans	-68.3	-32.1	-177.2	26.8	-33.7	0	0	0	113	P71	P69-P71 WeakPolarHBondContact O-CD 3.36Å
70	D	92.8	Very high	95.7	Very high	136 Å²	136	52.9 Å²	52.9	73%	0.727	32%	0.315	S	S	*	.	S	Bend	trans	-124.5	72	-176.7	-62.9	-48.6	0	0	0	111.1	G68 T72	G68-D70 VanDerWaalsContact C-N 3.34Å; D70-T72 PolarHBondContact O-N 2.96Å
71	P	94.5	Very high	95.7	Very high	37 Å²	37	57.7 Å²	57.7	24%	0.24	34%	0.344	C	S	.	.			trans	-66.1	133.2	179.5	28.7	-35	0	0	0	110.8	T65 A66 P69 K123	T65-P71 CarbonylContact O-C 3.56Å; T65-P71 WeakPolarHBondContact O-CA 3.07Å; T65-P71 WeakPolarHBondContact O-CB 3.3Å; A66-P71 WeakPolarHBondContact O-CB 3.38Å; P69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-K123 HydrophobicContact CG-CD 4.44Å
72	T	95.1	Very high	95.6	Very high	15 Å²	15	58.9 Å²	58.9	9%	0.092	35%	0.351	C	S	.	.	S	Bend	trans	-91	-22.3	177.7	72.4	0	0	0	0	113	Y28 D31 G64 T65 D70 K123	Y28-T72 HydrophobicContact CE1-CG2 4.5Å; D31-T72 WeakPolarHBondContact OD2-CB 3.33Å; D31-T72 PolarHBondContact OD2-OG1 3.43Å; G64-T72 VanDerWaalsContact CA-OG1 3.32Å; G64-T72 WeakPolarHBondContact CA-OG1 3.34Å; T65-T72 PolarHBondContact N-OG1 2.88Å; T65-T72 PolarHBondContact O-N 3.16Å; D70-T72 PolarHBondContact O-N 2.96Å; T72-K123 PolarHBondContact O-N 3.07Å
73	I	96.7	Very high	95.7	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	161.6	178.8	62.2	173.4	0	0	0	111.5	D31 I62 T65 A66 L75 V121	D31-I73 HydrophobicContact CB-CG2 3.81Å; I62-I73 HydrophobicContact CG2-CD1 4.17Å; T65-I73 PolarHBondContact O-N 3.45Å; A66-I73 WeakPolarHBondContact CA-O 3.49Å; A66-I73 HydrophobicContact CB-CD1 4.44Å; A66-I73 HydrophobicContact CB-CG1 4.02Å; I73-L75 HydrophobicContact CD1-CD1 4.28Å; I73-L75 HydrophobicContact CD1-CD2 4.13Å; I73-L75 HydrophobicContact CD1-CG 4.15Å; I73-V121 CarbonylContact C-O 3.54Å; I73-V121 VanDerWaalsContact CA-O 3.27Å; I73-V121 WeakPolarHBondContact CA-O 3.47Å
74	E	96.9	Very high	95.8	Very high	104 Å²	104	64 Å²	64	49%	0.486	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	169.1	-169.8	172.5	152.3	0	0	109.3	C120 V121 K123	E74-C120 CarbonylContact O-C 3.38Å; E74-C120 WeakPolarHBondContact O-CA 3.4Å; E74-V121 HydrophobicContact CB-CB 4.23Å; E74-V121 PolarHBondContact N-O 2.88Å; E74-V121 PolarHBondContact O-N 3.11Å; E74-K123 WeakPolarHBondContact OE2-CE 3.42Å; E74-K123 IonicContact OE2-NZ 3.91Å
75	L	98	Very high	96	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.084	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.7	-178.3	-60.8	179	0	0	0	110.5	I62 A66 I73 L87 P89 Q92 V118 Q119 C120	I62-L75 HydrophobicContact CD1-CD1 4.45Å; I62-L75 HydrophobicContact CD1-CD2 3.85Å; I62-L75 HydrophobicContact CG2-CD2 4.49Å; A66-L75 HydrophobicContact CB-CD1 4.26Å; A66-L75 HydrophobicContact CB-CG 4.27Å; I73-L75 HydrophobicContact CD1-CD1 4.28Å; I73-L75 HydrophobicContact CD1-CD2 4.13Å; I73-L75 HydrophobicContact CD1-CG 4.15Å; L75-L87 HydrophobicContact CB-CD2 3.96Å; L75-P89 HydrophobicContact CB-CB 4.07Å; L75-Q92 HydrophobicContact CD1-CB 4.45Å; L75-Q92 HydrophobicContact CD1-CG 3.78Å; L75-V118 HydrophobicContact CD2-CG1 4.23Å; L75-Q119 WeakPolarHBondContact CA-O 3.36Å; L75-C120 HydrophobicContact CD2-CB 3.59Å; L75-C120 VanDerWaalsContact CD2-SG 3.56Å
76	S	97.8	Very high	96.1	Very high	37 Å²	37	63.2 Å²	63.2	26%	0.259	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.5	173.6	65.6	0	0	0	0	111.5	V118 Q119	S76-V118 CarbonylContact O-C 3.58Å; S76-Q119 PolarHBondContact N-O 2.82Å; S76-Q119 PolarHBondContact O-N 3.49Å; S76-Q119 PolarHBondContact OG-OE1 2.84Å
77	L	98.2	Very high	96.3	Very high	37 Å²	37	63.8 Å²	63.8	19%	0.194	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.1	175	-70.3	170.8	0	0	0	110.9	N80 V85 L87 L94 V116 V118	L77-N80 HydrophobicContact CB-CB 4.27Å; L77-V85 HydrophobicContact CD1-CB 4.12Å; L77-V85 HydrophobicContact CD1-CG1 3.89Å; L77-V85 WeakPolarHBondContact CD1-O 3.42Å; L77-V85 HydrophobicContact CD2-CG1 4.3Å; L77-L87 HydrophobicContact CD1-CB 3.8Å; L77-L87 HydrophobicContact CD2-CB 4.41Å; L77-L87 HydrophobicContact CG-CB 3.86Å; L77-L87 HydrophobicContact CG-CD2 4.28Å; L77-L94 HydrophobicContact CD2-CD2 4.06Å; L77-V116 HydrophobicContact CD2-CG2 4.13Å; L77-V118 HydrophobicContact CD2-CG2 3.94Å
78	K	98	Very high	96.5	Very high	93 Å²	93	64.9 Å²	64.9	40%	0.404	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	156.8	169.8	-61.9	-61.7	178.6	-172.3	0	109.6	N80 Q117 Q119 Y130	K78-N80 PolarHBondContact O-N 3.19Å; K78-N80 VanDerWaalsContact O-N 3.08Å; K78-Q117 HydrophobicContact CB-CB 4.09Å; K78-Q117 PolarHBondContact N-O 2.87Å; K78-Q117 PolarHBondContact O-N 3.4Å; K78-Q119 HydrophobicContact CG-CB 4.01Å; K78-Y130 HydrophobicContact CG-CE1 4.18Å
79	D	97.3	Very high	96.8	Very high	115 Å²	115	64.2 Å²	64.2	62%	0.615	34%	0.34	S	S	*	.	S	Bend	trans	54.3	26.4	-177.5	-50.9	-30.3	0	0	0	114	V81	D79-V81 PolarHBondContact O-N 2.84Å
80	N	97.2	Very high	96.9	Very high	26 Å²	26	62.9 Å²	62.9	14%	0.139	33%	0.33	C	S	.	.			trans	-81.3	69.7	178.6	-173.1	22	0	0	0	110.8	L77 K78 D82 Y83 W84 V85 V116	L77-N80 HydrophobicContact CB-CB 4.27Å; K78-N80 PolarHBondContact O-N 3.19Å; K78-N80 VanDerWaalsContact O-N 3.08Å; N80-D82 PolarHBondContact O-N 3.11Å; N80-Y83 PolarHBondContact O-N 2.74Å; N80-Y83 VanDerWaalsContact O-N 3.08Å; N80-W84 PolarHBondContact OD1-N 3.3Å; N80-V85 PolarHBondContact ND2-O 3.08Å; N80-V85 PolarHBondContact OD1-N 2.74Å; N80-V85 VanDerWaalsContact OD1-N 3.08Å; N80-V116 HydrophobicContact CB-CG1 4.1Å
81	V	96	Very high	97.1	Very high	102 Å²	102	62.5 Å²	62.5	62%	0.618	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-54.7	133.2	178.3	-176.9	0	0	0	0	109.5	D79 Y83 W84	D79-V81 PolarHBondContact O-N 2.84Å; V81-Y83 PolarHBondContact O-N 2.9Å; V81-W84 VanDerWaalsContact O-CD1 3.31Å
82	D	95.8	Very high	97.3	Very high	100 Å²	100	61.5 Å²	61.5	54%	0.535	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	54.5	13.4	-176.6	-56	-35.2	0	0	0	115.9	N80 W84 R101	N80-D82 PolarHBondContact O-N 3.11Å; D82-W84 VanDerWaalsContact C-N 3.3Å; D82-W84 PolarHBondContact O-N 3.37Å; D82-R101 PolarHBondContact O-NH1 2.84Å; D82-R101 PolarHBondContact O-NH2 2.85Å
83	Y	97.4	Very high	97.4	Very high	173 Å²	173	62.1 Å²	62.1	68%	0.678	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	56.8	39	178.2	-52.3	-83.9	0	0	0	113.9	N80 V81 V85 N97 R101	N80-Y83 PolarHBondContact O-N 2.74Å; N80-Y83 VanDerWaalsContact O-N 3.08Å; V81-Y83 PolarHBondContact O-N 2.9Å; Y83-V85 PolarHBondContact O-N 3.34Å; Y83-N97 WeakPolarHBondContact O-CB 3.49Å; Y83-N97 PolarHBondContact O-ND2 2.93Å; Y83-R101 PolarHBondContact O-NH2 2.83Å; Y83-R101 VanDerWaalsContact O-NH2 3.11Å
84	W	98	Very high	97.5	Very high	14 Å²	14	62.1 Å²	62.1	5%	0.053	32%	0.316	C	S	.	.			trans	-65.9	-23.6	176.2	-74	110.1	0	0	0	113.3	N80 V81 D82 L96 N97 R101 V102 L103 I111 I114	N80-W84 PolarHBondContact OD1-N 3.3Å; V81-W84 VanDerWaalsContact O-CD1 3.31Å; D82-W84 VanDerWaalsContact C-N 3.3Å; D82-W84 PolarHBondContact O-N 3.37Å; W84-L96 HydrophobicContact CE3-CD1 4.07Å; W84-L96 CarbonylContact O-C 3.58Å; W84-L96 WeakPolarHBondContact O-CA 2.99Å; W84-N97 PolarHBondContact O-N 2.75Å; W84-R101 HydrophobicContact CH2-CB 4.44Å; W84-R101 VanDerWaalsContact CH2-CD 3.47Å; W84-R101 HydrophobicContact CH2-CG 3.77Å; W84-R101 HydrophobicContact CZ3-CG 3.89Å; W84-V102 WeakPolarHBondContact CH2-O 3.35Å; W84-L103 HydrophobicContact CE3-CD1 4.34Å; W84-L103 HydrophobicContact CZ3-CB 4.17Å; W84-L103 HydrophobicContact CZ3-CD1 4.33Å; W84-I111 HydrophobicContact CH2-CD1 4.35Å; W84-I111 HydrophobicContact CZ2-CD1 3.65Å; W84-I114 HydrophobicContact CB-CD1 3.8Å; W84-I114 HydrophobicContact CB-CG2 4.32Å; W84-I114 HydrophobicContact CD2-CD1 4.42Å; W84-I114 HydrophobicContact CG-CD1 3.94Å
85	V	98.4	Very high	97.6	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.3	-177.2	-174.7	0	0	0	0	111	L56 L77 N80 Y83 L94 F95 I114 V116 I135	L56-V85 HydrophobicContact CD1-CB 4.4Å; L56-V85 HydrophobicContact CD1-CG1 4.08Å; L56-V85 HydrophobicContact CD1-CG2 3.85Å; L77-V85 HydrophobicContact CD1-CB 4.12Å; L77-V85 HydrophobicContact CD1-CG1 3.89Å; L77-V85 WeakPolarHBondContact CD1-O 3.42Å; L77-V85 HydrophobicContact CD2-CG1 4.3Å; N80-V85 PolarHBondContact ND2-O 3.08Å; N80-V85 PolarHBondContact OD1-N 2.74Å; N80-V85 VanDerWaalsContact OD1-N 3.08Å; Y83-V85 PolarHBondContact O-N 3.34Å; V85-L94 HydrophobicContact CG1-CB 4Å; V85-L94 HydrophobicContact CG1-CD1 4.26Å; V85-L94 HydrophobicContact CG1-CD2 3.89Å; V85-L94 HydrophobicContact CG1-CG 4.28Å; V85-F95 CarbonylContact C-O 3.58Å; V85-F95 WeakPolarHBondContact CA-O 3.26Å; V85-I114 HydrophobicContact CG2-CG2 4.12Å; V85-V116 HydrophobicContact CB-CG1 4.31Å; V85-V116 HydrophobicContact CG1-CG2 4.44Å; V85-V116 HydrophobicContact CG2-CG1 3.8Å; V85-V116 HydrophobicContact CG2-CG2 4.17Å; V85-I135 HydrophobicContact CG2-CD1 4.23Å
86	L	98.1	Very high	97.6	Very high	86 Å²	86	58.9 Å²	58.9	45%	0.45	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147	166.7	-59.3	173.3	0	0	0	109.3	L94 F95 N97	L86-L94 CarbonylContact O-C 3.5Å; L86-L94 VanDerWaalsContact O-CA 3.25Å; L86-L94 WeakPolarHBondContact O-CA 3.25Å; L86-F95 HydrophobicContact CB-CB 4.4Å; L86-F95 PolarHBondContact N-O 3.18Å; L86-F95 PolarHBondContact O-N 2.86Å; L86-N97 HydrophobicContact CD1-CB 3.89Å; L86-N97 HydrophobicContact CD2-CB 4.24Å; L86-N97 HydrophobicContact CG-CB 3.76Å
87	L	98.2	Very high	97.6	Very high	36 Å²	36	58.8 Å²	58.8	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.8	179.1	168.4	66.3	0	0	0	109.9	L75 L77 P89 M93 L94	L75-L87 HydrophobicContact CB-CD2 3.96Å; L77-L87 HydrophobicContact CD1-CB 3.8Å; L77-L87 HydrophobicContact CD2-CB 4.41Å; L77-L87 HydrophobicContact CG-CB 3.86Å; L77-L87 HydrophobicContact CG-CD2 4.28Å; L87-P89 WeakPolarHBondContact O-CD 3.19Å; L87-M93 WeakPolarHBondContact CA-O 3.46Å; L87-L94 HydrophobicContact CB-CD2 3.74Å; L87-L94 HydrophobicContact CD1-CD2 3.55Å; L87-L94 HydrophobicContact CG-CD2 4.19Å
88	D	97.8	Very high	97.5	Very high	44 Å²	44	57.5 Å²	57.5	24%	0.235	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.5	157.5	177.5	-17.8	0	0	0	107.5	V90 K91 Q92 M93 F95	D88-V90 VanDerWaalsContact C-N 3.28Å; D88-V90 PolarHBondContact O-N 2.81Å; D88-V90 PolarHBondContact OD1-N 2.83Å; D88-K91 HydrophobicContact CB-CB 4.46Å; D88-K91 PolarHBondContact OD1-N 3.09Å; D88-K91 VanDerWaalsContact OD1-N 3.1Å; D88-K91 WeakPolarHBondContact OD2-CD 3.39Å; D88-K91 WeakPolarHBondContact OD2-CG 3.33Å; D88-Q92 CarbonylContact O-C 3.55Å; D88-Q92 WeakPolarHBondContact O-CA 3.47Å; D88-Q92 PolarHBondContact O-N 2.95Å; D88-M93 HydrophobicContact CB-CB 4.29Å; D88-M93 PolarHBondContact N-O 3.4Å; D88-M93 PolarHBondContact O-N 2.94Å; D88-M93 VanDerWaalsContact O-N 3.11Å; D88-F95 HydrophobicContact CB-CE2 3.9Å
89	P	97.2	Very high	97.4	Very high	48 Å²	48	57.6 Å²	57.6	31%	0.312	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27	-175.4	28	-35.1	0	0	0	112.6	A66 L75 L87	A66-P89 HydrophobicContact CB-CB 4.21Å; A66-P89 WeakPolarHBondContact CB-O 3.34Å; L75-P89 HydrophobicContact CB-CB 4.07Å; L87-P89 WeakPolarHBondContact O-CD 3.19Å
90	V	96.5	Very high	97.3	Very high	100 Å²	100	56.3 Å²	56.3	61%	0.606	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-44.4	-177.7	-177.7	0	0	0	0	110.1	D88	D88-V90 VanDerWaalsContact C-N 3.28Å; D88-V90 PolarHBondContact O-N 2.81Å; D88-V90 PolarHBondContact OD1-N 2.83Å
91	K	96.9	Very high	97.3	Very high	127 Å²	127	59.1 Å²	59.1	55%	0.552	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.9	176.2	-62.3	-175.8	-174.5	171.7	0	113.5	D88 M93	D88-K91 HydrophobicContact CB-CB 4.46Å; D88-K91 PolarHBondContact OD1-N 3.09Å; D88-K91 VanDerWaalsContact OD1-N 3.1Å; D88-K91 WeakPolarHBondContact OD2-CD 3.39Å; D88-K91 WeakPolarHBondContact OD2-CG 3.33Å; K91-M93 HydrophobicContact CB-CB 4.2Å; K91-M93 HydrophobicContact CB-CG 3.74Å; K91-M93 HydrophobicContact CB-SD 3.91Å; K91-M93 HydrophobicContact CD-SD 3.72Å; K91-M93 HydrophobicContact CG-SD 4.48Å; K91-M93 PolarHBondContact O-N 2.73Å
92	Q	97.2	Very high	97.3	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.079	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	37.1	-170.4	-46.9	-174.4	5.3	0	0	112.4	M60 I62 L75 D88	M60-Q92 HydrophobicContact CB-CB 4.1Å; M60-Q92 PolarHBondContact N-O 3.08Å; I62-Q92 PolarHBondContact O-NE2 3.41Å; I62-Q92 PolarHBondContact O-OE1 3.08Å; L75-Q92 HydrophobicContact CD1-CB 4.45Å; L75-Q92 HydrophobicContact CD1-CG 3.78Å; D88-Q92 CarbonylContact O-C 3.55Å; D88-Q92 WeakPolarHBondContact O-CA 3.47Å; D88-Q92 PolarHBondContact O-N 2.95Å
93	M	98.1	Very high	97.4	Very high	28 Å²	28	52.9 Å²	52.9	14%	0.138	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.3	-178.3	-77.9	-179.3	82.3	0	0	110.8	I55 V57 D58 L87 D88 K91 F95	I55-M93 HydrophobicContact CD1-CE 3.78Å; I55-M93 HydrophobicContact CG1-CE 4.03Å; I55-M93 HydrophobicContact CG2-CE 3.86Å; V57-M93 WeakPolarHBondContact O-CA 3.38Å; D58-M93 WeakPolarHBondContact O-CG 3.48Å; L87-M93 WeakPolarHBondContact CA-O 3.46Å; D88-M93 HydrophobicContact CB-CB 4.29Å; D88-M93 PolarHBondContact N-O 3.4Å; D88-M93 PolarHBondContact O-N 2.94Å; D88-M93 VanDerWaalsContact O-N 3.11Å; K91-M93 HydrophobicContact CB-CB 4.2Å; K91-M93 HydrophobicContact CB-CG 3.74Å; K91-M93 HydrophobicContact CB-SD 3.91Å; K91-M93 HydrophobicContact CD-SD 3.72Å; K91-M93 HydrophobicContact CG-SD 4.48Å; K91-M93 PolarHBondContact O-N 2.73Å; M93-F95 HydrophobicContact CB-CE2 3.61Å; M93-F95 HydrophobicContact CB-CZ 3.62Å; M93-F95 HydrophobicContact CE-CE1 3.78Å; M93-F95 HydrophobicContact CE-CZ 3.72Å; M93-F95 HydrophobicContact CG-CZ 4.36Å; M93-F95 HydrophobicContact SD-CZ 3.95Å
94	L	98.4	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.6	173.1	-60.6	-178.6	0	0	0	110.7	L56 V57 M60 L77 V85 L86 L87 V118 V133	L56-L94 HydrophobicContact CB-CB 4.09Å; L56-L94 PolarHBondContact N-O 2.82Å; V57-L94 HydrophobicContact CB-CB 4.04Å; V57-L94 HydrophobicContact CB-CD1 4.22Å; V57-L94 HydrophobicContact CB-CG 4.2Å; V57-L94 HydrophobicContact CG2-CB 4.31Å; V57-L94 HydrophobicContact CG2-CD1 3.93Å; V57-L94 HydrophobicContact CG2-CG 4.42Å; V57-L94 PolarHBondContact N-O 2.75Å; V57-L94 PolarHBondContact O-N 2.91Å; M60-L94 HydrophobicContact SD-CD1 4.13Å; L77-L94 HydrophobicContact CD2-CD2 4.06Å; V85-L94 HydrophobicContact CG1-CB 4Å; V85-L94 HydrophobicContact CG1-CD1 4.26Å; V85-L94 HydrophobicContact CG1-CD2 3.89Å; V85-L94 HydrophobicContact CG1-CG 4.28Å; L86-L94 CarbonylContact O-C 3.5Å; L86-L94 VanDerWaalsContact O-CA 3.25Å; L86-L94 WeakPolarHBondContact O-CA 3.25Å; L87-L94 HydrophobicContact CB-CD2 3.74Å; L87-L94 HydrophobicContact CD1-CD2 3.55Å; L87-L94 HydrophobicContact CG-CD2 4.19Å; L94-V118 HydrophobicContact CD1-CG2 4.24Å; L94-V118 HydrophobicContact CD2-CG2 4.48Å; L94-V133 HydrophobicContact CD1-CB 4.29Å; L94-V133 HydrophobicContact CD1-CG1 3.94Å; L94-V133 HydrophobicContact CD1-CG2 3.86Å
95	F	98.3	Very high	97.5	Very high	52 Å²	52	46.9 Å²	46.9	23%	0.228	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.6	-179.3	-52.7	-89.6	0	0	0	111.3	T54 I55 V85 L86 D88 M93	T54-F95 CarbonylContact O-C 3.41Å; T54-F95 WeakPolarHBondContact O-CA 3.31Å; I55-F95 HydrophobicContact CG1-CD1 4.04Å; I55-F95 HydrophobicContact CG1-CE1 3.9Å; V85-F95 CarbonylContact C-O 3.58Å; V85-F95 WeakPolarHBondContact CA-O 3.26Å; L86-F95 HydrophobicContact CB-CB 4.4Å; L86-F95 PolarHBondContact N-O 3.18Å; L86-F95 PolarHBondContact O-N 2.86Å; D88-F95 HydrophobicContact CB-CE2 3.9Å; M93-F95 HydrophobicContact CB-CE2 3.61Å; M93-F95 HydrophobicContact CB-CZ 3.62Å; M93-F95 HydrophobicContact CE-CE1 3.78Å; M93-F95 HydrophobicContact CE-CZ 3.72Å; M93-F95 HydrophobicContact CG-CZ 4.36Å; M93-F95 HydrophobicContact SD-CZ 3.95Å
96	L	98.4	Very high	97.5	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.9	171.7	-176.9	64.7	0	0	0	110.6	I46 S50 N52 G53 T54 L56 W84 L103	I46-L96 HydrophobicContact CD1-CD2 4.27Å; S50-L96 VanDerWaalsContact O-CD2 3.31Å; S50-L96 WeakPolarHBondContact O-CD2 3.15Å; N52-L96 PolarHBondContact OD1-O 2.82Å; G53-L96 PolarHBondContact N-O 2.8Å; T54-L96 PolarHBondContact O-N 3.22Å; L56-L96 HydrophobicContact CD1-CB 4.45Å; L56-L96 HydrophobicContact CD2-CB 4.11Å; L56-L96 HydrophobicContact CG-CB 4.32Å; W84-L96 HydrophobicContact CE3-CD1 4.07Å; W84-L96 CarbonylContact O-C 3.58Å; W84-L96 WeakPolarHBondContact O-CA 2.99Å; L96-L103 HydrophobicContact CD1-CD2 4.11Å; L96-L103 HydrophobicContact CD2-CD2 4.14Å
97	N	98	Very high	97.4	Very high	35 Å²	35	46 Å²	46	19%	0.187	27%	0.265	C	S	.	.			trans	-108.8	91.3	169.9	174.6	32.7	0	0	0	110.6	N52 Y83 W84 L86 R101	N52-N97 WeakPolarHBondContact OD1-CA 3.41Å; Y83-N97 WeakPolarHBondContact O-CB 3.49Å; Y83-N97 PolarHBondContact O-ND2 2.93Å; W84-N97 PolarHBondContact O-N 2.75Å; L86-N97 HydrophobicContact CD1-CB 3.89Å; L86-N97 HydrophobicContact CD2-CB 4.24Å; L86-N97 HydrophobicContact CG-CB 3.76Å; N97-R101 PolarHBondContact O-NE 2.77Å; N97-R101 PolarHBondContact O-NH2 3.33Å
98	S	97	Very high	97.3	Very high	10 Å²	10	49.8 Å²	49.8	7%	0.07	29%	0.292	C	S	.	.			trans	-115.2	29.2	175.6	53.6	0	0	0	0	111.2	S50 N52 G100 R101	S50-S98 PolarHBondContact O-OG 3.38Å; N52-S98 WeakPolarHBondContact CA-OG 3.41Å; N52-S98 PolarHBondContact N-OG 3.13Å; N52-S98 VanDerWaalsContact N-OG 3.09Å; N52-S98 PolarHBondContact OD1-N 2.92Å; S98-G100 PolarHBondContact O-N 3.29Å; S98-G100 VanDerWaalsContact O-N 3.12Å; S98-R101 PolarHBondContact O-N 2.84Å
99	T	95.7	Very high	97.3	Very high	95 Å²	95	52.3 Å²	52.3	58%	0.583	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	117.5	177.9	-57.1	0	0	0	0	110.1	N52 R101	N52-T99 PolarHBondContact ND2-OG1 3.35Å; N52-T99 VanDerWaalsContact ND2-OG1 3.14Å; N52-T99 PolarHBondContact OD1-N 3.34Å; N52-T99 VanDerWaalsContact OD1-N 3.16Å; N52-T99 PolarHBondContact OD1-OG1 3.09Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 3.3Å
100	G	95.6	Very high	97.3	Very high	89 Å²	89	54 Å²	54	92%	0.918	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	11	178.2	0	0	0	0	0	115.3	S98	S98-G100 PolarHBondContact O-N 3.29Å; S98-G100 VanDerWaalsContact O-N 3.12Å
101	R	96.3	Very high	97.3	Very high	84 Å²	84	50.3 Å²	50.3	32%	0.317	29%	0.287	S	S	.	.	S	Bend	trans	-148.1	166.3	179	59.7	-177	178.7	-174.6	-2.3	110.4	D82 Y83 W84 N97 S98 T99	D82-R101 PolarHBondContact O-NH1 2.84Å; D82-R101 PolarHBondContact O-NH2 2.85Å; Y83-R101 PolarHBondContact O-NH2 2.83Å; Y83-R101 VanDerWaalsContact O-NH2 3.11Å; W84-R101 HydrophobicContact CH2-CB 4.44Å; W84-R101 VanDerWaalsContact CH2-CD 3.47Å; W84-R101 HydrophobicContact CH2-CG 3.77Å; W84-R101 HydrophobicContact CZ3-CG 3.89Å; N97-R101 PolarHBondContact O-NE 2.77Å; N97-R101 PolarHBondContact O-NH2 3.33Å; S98-R101 PolarHBondContact O-N 2.84Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 3.3Å
102	V	96.9	Very high	97.3	Very high	72 Å²	72	48.9 Å²	48.9	44%	0.436	28%	0.282	S	S	.	.			trans	-113.8	137.6	-180	-177.2	0	0	0	0	108.9	E49 W84 D104	E49-V102 HydrophobicContact CB-CG1 3.94Å; E49-V102 HydrophobicContact CG-CG1 3.57Å; E49-V102 WeakPolarHBondContact OE1-CG1 3.36Å; W84-V102 WeakPolarHBondContact CH2-O 3.35Å; V102-D104 VanDerWaalsContact C-N 3.3Å; V102-D104 HydrophobicContact CG1-CB 4.29Å; V102-D104 PolarHBondContact O-N 3.31Å; V102-D104 VanDerWaalsContact O-N 3.15Å
103	L	97.7	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.301	C	S	.	.			trans	-80.8	86	170.3	177.3	65.2	0	0	0	107.5	I46 E48 E49 W84 L96 I111 I114 V137	I46-L103 HydrophobicContact CD1-CD2 3.44Å; I46-L103 VanDerWaalsContact CD1-CD2 3.44Å; I46-L103 HydrophobicContact CG1-CD2 4.32Å; E48-L103 WeakPolarHBondContact CB-O 3.48Å; E49-L103 PolarHBondContact N-O 2.8Å; W84-L103 HydrophobicContact CE3-CD1 4.34Å; W84-L103 HydrophobicContact CZ3-CB 4.17Å; W84-L103 HydrophobicContact CZ3-CD1 4.33Å; L96-L103 HydrophobicContact CD1-CD2 4.11Å; L96-L103 HydrophobicContact CD2-CD2 4.14Å; L103-I111 HydrophobicContact CD1-CB 4.25Å; L103-I111 HydrophobicContact CD1-CD1 4.12Å; L103-I111 HydrophobicContact CD1-CG2 3.75Å; L103-I114 HydrophobicContact CD1-CD1 3.69Å; L103-V137 HydrophobicContact CD1-CG2 4.24Å; L103-V137 HydrophobicContact CD2-CG1 4.29Å; L103-V137 HydrophobicContact CD2-CG2 4.09Å; L103-V137 HydrophobicContact CG-CG1 4.28Å; L103-V137 HydrophobicContact CG-CG2 4.34Å
104	D	98	Very high	97.3	Very high	32 Å²	32	50.8 Å²	50.8	17%	0.171	30%	0.298	C	S	.	.			trans	-101.3	119.5	-170.8	176.1	12.9	0	0	0	109.8	V102 D106 M109 I111	V102-D104 VanDerWaalsContact C-N 3.3Å; V102-D104 HydrophobicContact CG1-CB 4.29Å; V102-D104 PolarHBondContact O-N 3.31Å; V102-D104 VanDerWaalsContact O-N 3.15Å; D104-D106 WeakPolarHBondContact OD1-CB 3.38Å; D104-D106 PolarHBondContact OD1-N 2.84Å; D104-M109 HydrophobicContact CB-CB 3.82Å; D104-M109 HydrophobicContact CB-CG 3.92Å; D104-M109 WeakPolarHBondContact O-CB 3.39Å; D104-I111 WeakPolarHBondContact O-CB 3.34Å; D104-I111 PolarHBondContact O-N 2.97Å
105	R	98.2	Very high	97.3	Very high	29 Å²	29	53.8 Å²	53.8	11%	0.109	32%	0.316	C	S	.	.			trans	-82.2	-26.9	179.5	-167.7	-178.8	175.7	-79.4	-4.8	110.6	E48 N110 V137 D139 D181	E48-R105 HydrophobicContact CB-CB 4.02Å; E48-R105 HydrophobicContact CG-CB 4.47Å; E48-R105 WeakPolarHBondContact OE2-CA 3.35Å; E48-R105 WeakPolarHBondContact OE2-CB 3.32Å; E48-R105 PolarHBondContact OE2-N 3.45Å; R105-N110 WeakPolarHBondContact O-CA 3.4Å; R105-V137 HydrophobicContact CB-CG1 4.03Å; R105-V137 WeakPolarHBondContact CD-O 3.2Å; R105-V137 HydrophobicContact CG-CG1 4.3Å; R105-V137 PolarHBondContact NE-O 3.01Å; R105-V137 VanDerWaalsContact NE-O 3.14Å; R105-D139 IonicContact CZ-OD1 2.87Å; R105-D139 IonicContact NH1-OD1 2.75Å; R105-D139 PolarHBondContact NH1-OD1 2.89Å; R105-D181 IonicContact CZ-OD2 2.84Å; R105-D181 IonicContact NH1-OD2 3.7Å; R105-D181 PolarHBondContact NH1-OD2 3.01Å; R105-D181 IonicContact NH2-OD2 3.48Å; R105-D181 PolarHBondContact NH2-OD2 3.1Å
106	D	98.1	Very high	97.3	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	31%	0.305	C	S	.	.	S	Bend	trans	-79.9	165.3	-173.1	-58.9	-41.7	0	0	0	112.4	D104 M109 N110 N143 I179	D104-D106 WeakPolarHBondContact OD1-CB 3.38Å; D104-D106 PolarHBondContact OD1-N 2.84Å; D106-M109 PolarHBondContact O-N 3.28Å; D106-N110 PolarHBondContact O-N 3.15Å; D106-N143 PolarHBondContact OD2-ND2 3.44Å; D106-I179 HydrophobicContact CB-CD1 4.14Å; D106-I179 HydrophobicContact CB-CG1 4.3Å
107	P	97.4	Very high	97.3	Very high	65 Å²	65	52.8 Å²	52.8	42%	0.422	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132.2	169.3	-22.7	33.9	0	0	0	111.1
108	P	96.5	Very high	97.3	Very high	115 Å²	115	51.1 Å²	51.1	75%	0.747	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	cis	-96.3	-7.1	19.4	35.7	-35.6	0	0	0	115.3	N110	P108-N110 VanDerWaalsContact C-ND2 3.32Å; P108-N110 PolarHBondContact O-ND2 3.44Å
109	M	96.4	Very high	97.4	Very high	97 Å²	97	52 Å²	52	48%	0.478	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-38.2	-171.5	-72.3	-63.9	-58.6	0	0	113	D104 D106 I111	D104-M109 HydrophobicContact CB-CB 3.82Å; D104-M109 HydrophobicContact CB-CG 3.92Å; D104-M109 WeakPolarHBondContact O-CB 3.39Å; D106-M109 PolarHBondContact O-N 3.28Å; M109-I111 VanDerWaalsContact C-N 3.28Å; M109-I111 HydrophobicContact CB-CG1 4.32Å; M109-I111 HydrophobicContact CE-CD1 3.64Å; M109-I111 HydrophobicContact CE-CG1 4.29Å; M109-I111 PolarHBondContact O-N 3Å
110	N	97	Very high	97.5	Very high	84 Å²	84	47.5 Å²	47.5	45%	0.449	28%	0.279	S	S	.	.			trans	55	35	174.4	-60.3	-84.1	0	0	0	114.3	R105 D106 P108 H112	R105-N110 WeakPolarHBondContact O-CA 3.4Å; D106-N110 PolarHBondContact O-N 3.15Å; P108-N110 VanDerWaalsContact C-ND2 3.32Å; P108-N110 PolarHBondContact O-ND2 3.44Å; N110-H112 PolarHBondContact O-CD2 2.73Å; N110-H112 PolarHBondContact O-N 2.84Å
111	I	97.3	Very high	97.6	Very high	23 Å²	23	45 Å²	45	12%	0.118	25%	0.246	C	C	.	.			trans	-83.7	81.4	-177.9	-53.4	172.7	0	0	0	110.2	W84 L103 D104 M109 I114 V137	W84-I111 HydrophobicContact CH2-CD1 4.35Å; W84-I111 HydrophobicContact CZ2-CD1 3.65Å; L103-I111 HydrophobicContact CD1-CB 4.25Å; L103-I111 HydrophobicContact CD1-CD1 4.12Å; L103-I111 HydrophobicContact CD1-CG2 3.75Å; D104-I111 WeakPolarHBondContact O-CB 3.34Å; D104-I111 PolarHBondContact O-N 2.97Å; M109-I111 VanDerWaalsContact C-N 3.28Å; M109-I111 HydrophobicContact CB-CG1 4.32Å; M109-I111 HydrophobicContact CE-CD1 3.64Å; M109-I111 HydrophobicContact CE-CG1 4.29Å; M109-I111 PolarHBondContact O-N 3Å; I111-I114 HydrophobicContact CG2-CD1 4.47Å; I111-I114 HydrophobicContact CG2-CG1 4Å; I111-V137 HydrophobicContact CG2-CG2 4.38Å; I111-V137 VanDerWaalsContact O-CB 3.28Å; I111-V137 WeakPolarHBondContact O-CB 3.32Å; I111-V137 WeakPolarHBondContact O-CG2 3.39Å
112	H	97.7	Very high	97.6	Very high	97 Å²	97	41 Å²	41	45%	0.449	23%	0.231	S	C	.	.			trans	-77	-27.3	-179.6	-60.2	-176.6	0	0	0	113.3	N110 V137	N110-H112 PolarHBondContact O-CD2 2.73Å; N110-H112 PolarHBondContact O-N 2.84Å; H112-V137 PolarHBondContact O-N 3.14Å
113	S	97.7	Very high	97.5	Very high	70 Å²	70	42.6 Å²	42.6	49%	0.49	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	150.7	178.6	66.7	0	0	0	0	112	I135	S113-I135 CarbonylContact C-O 3.6Å; S113-I135 WeakPolarHBondContact CA-O 3.15Å; S113-I135 WeakPolarHBondContact CB-O 3.27Å
114	I	97.8	Very high	97.2	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.072	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.5	170.9	-61.4	160.1	0	0	0	107.6	W84 V85 L103 I111 V116 I135	W84-I114 HydrophobicContact CB-CD1 3.8Å; W84-I114 HydrophobicContact CB-CG2 4.32Å; W84-I114 HydrophobicContact CD2-CD1 4.42Å; W84-I114 HydrophobicContact CG-CD1 3.94Å; V85-I114 HydrophobicContact CG2-CG2 4.12Å; L103-I114 HydrophobicContact CD1-CD1 3.69Å; I111-I114 HydrophobicContact CG2-CD1 4.47Å; I111-I114 HydrophobicContact CG2-CG1 4Å; I114-V116 HydrophobicContact CG2-CG1 4.09Å; I114-I135 HydrophobicContact CB-CB 4.25Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.19Å; I114-I135 PolarHBondContact N-O 2.92Å; I114-I135 WeakPolarHBondContact O-CD1 3.47Å; I114-I135 PolarHBondContact O-N 2.83Å
115	V	98.1	Very high	96.9	Very high	63 Å²	63	49.2 Å²	49.2	38%	0.382	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	176.8	-175.5	0	0	0	0	108.8	E132 V133 R134	V115-E132 HydrophobicContact CG1-CG 4.09Å; V115-V133 WeakPolarHBondContact CA-O 3.03Å; V115-R134 HydrophobicContact CG1-CG 4.34Å; V115-R134 HydrophobicContact CG2-CG 4.2Å
116	V	98.2	Very high	96.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.8	176.6	-57.9	0	0	0	0	110.4	L77 N80 V85 I114 V133 I135	L77-V116 HydrophobicContact CD2-CG2 4.13Å; N80-V116 HydrophobicContact CB-CG1 4.1Å; V85-V116 HydrophobicContact CB-CG1 4.31Å; V85-V116 HydrophobicContact CG1-CG2 4.44Å; V85-V116 HydrophobicContact CG2-CG1 3.8Å; V85-V116 HydrophobicContact CG2-CG2 4.17Å; I114-V116 HydrophobicContact CG2-CG1 4.09Å; V116-V133 HydrophobicContact CG2-CB 3.88Å; V116-V133 HydrophobicContact CG2-CG2 4.49Å; V116-V133 PolarHBondContact N-O 3.04Å; V116-V133 PolarHBondContact O-N 3.17Å; V116-I135 HydrophobicContact CG2-CD1 4.48Å
117	Q	98.2	Very high	96.5	Very high	31 Å²	31	53.2 Å²	53.2	15%	0.145	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.6	175.6	-61.2	-68.4	-23.9	0	0	109.2	K78 Q119 Y130 E132	K78-Q117 HydrophobicContact CB-CB 4.09Å; K78-Q117 PolarHBondContact N-O 2.87Å; K78-Q117 PolarHBondContact O-N 3.4Å; Q117-Q119 PolarHBondContact O-N 2.77Å; Q117-Y130 HydrophobicContact CB-CD1 4.24Å; Q117-E132 PolarHBondContact NE2-OE2 2.78Å; Q117-E132 VanDerWaalsContact NE2-OE2 3.17Å; Q117-E132 VanDerWaalsContact OE1-CA 3.29Å
118	V	98.1	Very high	96.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	102.7	168.9	-179.2	0	0	0	0	107.5	M60 I62 L75 S76 L77 L94 C120 H131 V133	M60-V118 HydrophobicContact CE-CB 4.16Å; M60-V118 HydrophobicContact CE-CG2 3.9Å; M60-V118 HydrophobicContact SD-CG2 4.42Å; I62-V118 HydrophobicContact CD1-CG1 3.97Å; L75-V118 HydrophobicContact CD2-CG1 4.23Å; S76-V118 CarbonylContact O-C 3.58Å; L77-V118 HydrophobicContact CD2-CG2 3.94Å; L94-V118 HydrophobicContact CD1-CG2 4.24Å; L94-V118 HydrophobicContact CD2-CG2 4.48Å; V118-C120 PolarHBondContact O-N 3.2Å; V118-H131 HydrophobicContact CB-CB 4.29Å; V118-H131 PolarHBondContact N-O 2.65Å; V118-H131 PolarHBondContact O-N 2.92Å; V118-V133 HydrophobicContact CG2-CG2 3.91Å
119	Q	98.3	Very high	96.5	Very high	29 Å²	29	50.4 Å²	50.4	14%	0.136	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.7	174	-177.1	-175.3	13	0	0	109.2	L75 S76 K78 Q117 V121 V128 Y130	L75-Q119 WeakPolarHBondContact CA-O 3.36Å; S76-Q119 PolarHBondContact N-O 2.82Å; S76-Q119 PolarHBondContact O-N 3.49Å; S76-Q119 PolarHBondContact OG-OE1 2.84Å; K78-Q119 HydrophobicContact CG-CB 4.01Å; Q117-Q119 PolarHBondContact O-N 2.77Å; Q119-V121 HydrophobicContact CG-CG2 4.36Å; Q119-V128 HydrophobicContact CG-CG1 3.74Å; Q119-Y130 HydrophobicContact CB-CD1 3.88Å; Q119-Y130 HydrophobicContact CB-CE1 3.72Å; Q119-Y130 HydrophobicContact CG-CD1 4.11Å; Q119-Y130 HydrophobicContact CG-CE1 3.61Å
120	C	98.1	Very high	96.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	170.4	-171.6	0	0	0	0	110.4	C32 I62 E74 L75 V118 V128 I129	C32-C120 WeakPolarHBondContact CA-SG 3.31Å; C32-C120 HydrophobicContact CB-CB 3.63Å; C32-C120 WeakPolarHBondContact CB-SG 3.3Å; C32-C120 WeakPolarHBondContact SG-CB 3.43Å; C32-C120 PolarHBondContact SG-O 2.81Å; C32-C120 CovalentContact SG-SG 2.03Å; C32-C120 PolarHBondContact SG-SG 3.18Å; I62-C120 HydrophobicContact CG2-CB 4.42Å; E74-C120 CarbonylContact O-C 3.38Å; E74-C120 WeakPolarHBondContact O-CA 3.4Å; L75-C120 HydrophobicContact CD2-CB 3.59Å; L75-C120 VanDerWaalsContact CD2-SG 3.56Å; V118-C120 PolarHBondContact O-N 3.2Å; C120-V128 WeakPolarHBondContact O-CA 3.2Å; C120-I129 PolarHBondContact N-O 2.87Å; C120-I129 PolarHBondContact O-N 2.85Å
121	V	97.5	Very high	96.6	Very high	38 Å²	38	48.3 Å²	48.3	23%	0.23	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.8	172.6	-175.5	0	0	0	0	108.8	I73 E74 Q119 K123 T127 V128	I73-V121 CarbonylContact C-O 3.54Å; I73-V121 VanDerWaalsContact CA-O 3.27Å; I73-V121 WeakPolarHBondContact CA-O 3.47Å; E74-V121 HydrophobicContact CB-CB 4.23Å; E74-V121 PolarHBondContact N-O 2.88Å; E74-V121 PolarHBondContact O-N 3.11Å; Q119-V121 HydrophobicContact CG-CG2 4.36Å; V121-K123 PolarHBondContact O-N 2.98Å; V121-T127 WeakPolarHBondContact CA-O 3.49Å; V121-V128 HydrophobicContact CG1-CG2 4.39Å; V121-V128 HydrophobicContact CG2-CG1 4.49Å; V121-V128 HydrophobicContact CG2-CG2 4.17Å
122	N	96.3	Very high	96.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.7	173.3	-176.3	-38.8	0	0	0	109	Y28 D31 C32 K124 V125 G126 T127	Y28-N122 PolarHBondContact O-ND2 2.83Å; D31-N122 VanDerWaalsContact CB-ND2 3.25Å; D31-N122 WeakPolarHBondContact CB-ND2 3.45Å; D31-N122 PolarHBondContact O-ND2 2.97Å; C32-N122 PolarHBondContact SG-N 3.4Å; C32-N122 VanDerWaalsContact SG-N 3.44Å; N122-K124 PolarHBondContact O-N 3.26Å; N122-K124 PolarHBondContact OD1-N 3.05Å; N122-V125 HydrophobicContact CB-CG2 3.81Å; N122-V125 VanDerWaalsContact ND2-CG2 3.33Å; N122-V125 WeakPolarHBondContact ND2-CG2 3.39Å; N122-V125 WeakPolarHBondContact OD1-CG2 3.43Å; N122-V125 PolarHBondContact OD1-N 2.74Å; N122-G126 VanDerWaalsContact O-CA 3.22Å; N122-G126 WeakPolarHBondContact O-CA 3.35Å; N122-G126 PolarHBondContact O-N 3.47Å; N122-T127 VanDerWaalsContact CB-OG1 3.3Å; N122-T127 WeakPolarHBondContact CB-OG1 3.28Å; N122-T127 PolarHBondContact N-O 2.83Å
123	K	94.5	Very high	96.6	Very high	104 Å²	104	45 Å²	45	45%	0.452	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.8	-173.1	-69.9	-169.7	172.9	-176	0	113.9	P71 T72 E74 V121	P71-K123 HydrophobicContact CG-CD 4.44Å; T72-K123 PolarHBondContact O-N 3.07Å; E74-K123 WeakPolarHBondContact OE2-CE 3.42Å; E74-K123 IonicContact OE2-NZ 3.91Å; V121-K123 PolarHBondContact O-N 2.98Å
124	K	91	Very high	96.7	Very high	107 Å²	107	47.2 Å²	47.2	47%	0.465	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-42.5	-175.8	-61.2	-169.8	-176.2	-152.8	0	112.4	Y28 N122	Y28-K124 HydrophobicContact CD1-CD 3.34Å; Y28-K124 HydrophobicContact CD2-CD 4.05Å; Y28-K124 HydrophobicContact CE1-CD 3.75Å; Y28-K124 VanDerWaalsContact CE1-CE 3.46Å; Y28-K124 HydrophobicContact CE2-CD 4.38Å; Y28-K124 HydrophobicContact CG-CD 3.5Å; Y28-K124 VanDerWaalsContact CG-CD 3.5Å; Y28-K124 PolarHBondContact OH-NZ 3.44Å; Y28-K124 VanDerWaalsContact OH-NZ 3.1Å; N122-K124 PolarHBondContact O-N 3.26Å; N122-K124 PolarHBondContact OD1-N 3.05Å
125	V	92.9	Very high	96.7	Very high	65 Å²	65	46.6 Å²	46.6	39%	0.394	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-11.4	-178.7	-62.4	0	0	0	0	113.8	D29 N122 T127	D29-V125 WeakPolarHBondContact OD1-CG1 3.33Å; N122-V125 HydrophobicContact CB-CG2 3.81Å; N122-V125 VanDerWaalsContact ND2-CG2 3.33Å; N122-V125 WeakPolarHBondContact ND2-CG2 3.39Å; N122-V125 WeakPolarHBondContact OD1-CG2 3.43Å; N122-V125 PolarHBondContact OD1-N 2.74Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 HydrophobicContact CB-CG2 4.43Å; V125-T127 HydrophobicContact CG2-CG2 3.73Å; V125-T127 WeakPolarHBondContact CG2-OG1 3.19Å; V125-T127 PolarHBondContact O-N 2.66Å
126	G	92.2	Very high	96.7	Very high	53 Å²	53	46.7 Å²	46.7	55%	0.546	24%	0.241	S	C	.	.			trans	74.5	12.2	179.6	0	0	0	0	0	114.6	N122	N122-G126 VanDerWaalsContact O-CA 3.22Å; N122-G126 WeakPolarHBondContact O-CA 3.35Å; N122-G126 PolarHBondContact O-N 3.47Å
127	T	94.9	Very high	96.7	Very high	62 Å²	62	46.8 Å²	46.8	38%	0.38	24%	0.241	S	C	.	.			trans	-72.1	145.4	175.7	56.3	0	0	0	0	110.7	V121 N122 V125	V121-T127 WeakPolarHBondContact CA-O 3.49Å; N122-T127 VanDerWaalsContact CB-OG1 3.3Å; N122-T127 WeakPolarHBondContact CB-OG1 3.28Å; N122-T127 PolarHBondContact N-O 2.83Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 HydrophobicContact CB-CG2 4.43Å; V125-T127 HydrophobicContact CG2-CG2 3.73Å; V125-T127 WeakPolarHBondContact CG2-OG1 3.19Å; V125-T127 PolarHBondContact O-N 2.66Å
128	V	96.9	Very high	96.7	Very high	68 Å²	68	51.2 Å²	51.2	41%	0.412	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.4	177.5	-176.6	0	0	0	0	108.5	Q119 C120 V121 Y130	Q119-V128 HydrophobicContact CG-CG1 3.74Å; C120-V128 WeakPolarHBondContact O-CA 3.2Å; V121-V128 HydrophobicContact CG1-CG2 4.39Å; V121-V128 HydrophobicContact CG2-CG1 4.49Å; V121-V128 HydrophobicContact CG2-CG2 4.17Å; V128-Y130 HydrophobicContact CG1-CE2 4.01Å
129	I	96.7	Very high	96.7	Very high	53 Å²	53	52.7 Å²	52.7	27%	0.272	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.3	178.3	-60.2	179.2	0	0	0	108.4	C32 K33 C120	C32-I129 HydrophobicContact CB-CB 4.3Å; C32-I129 HydrophobicContact CB-CD1 3.93Å; C32-I129 HydrophobicContact CB-CG1 4.29Å; K33-I129 HydrophobicContact CG-CD1 4.26Å; C120-I129 PolarHBondContact N-O 2.87Å; C120-I129 PolarHBondContact O-N 2.85Å
130	Y	97.8	Very high	96.6	Very high	127 Å²	127	56.1 Å²	56.1	50%	0.498	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.4	174	-62.7	-83	0	0	0	109.5	K78 Q117 Q119 V128	K78-Y130 HydrophobicContact CG-CE1 4.18Å; Q117-Y130 HydrophobicContact CB-CD1 4.24Å; Q119-Y130 HydrophobicContact CB-CD1 3.88Å; Q119-Y130 HydrophobicContact CB-CE1 3.72Å; Q119-Y130 HydrophobicContact CG-CD1 4.11Å; Q119-Y130 HydrophobicContact CG-CE1 3.61Å; V128-Y130 HydrophobicContact CG1-CE2 4.01Å
131	H	97.8	Very high	96.6	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.051	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110.9	173.6	-61.4	-71.9	0	0	0	109.1	C32 M60 V118	C32-H131 PolarHBondContact O-CE1 3.38Å; C32-H131 PolarHBondContact O-NE2 2.79Å; M60-H131 HydrophobicContact CE-CB 3.74Å; V118-H131 HydrophobicContact CB-CB 4.29Å; V118-H131 PolarHBondContact N-O 2.65Å; V118-H131 PolarHBondContact O-N 2.92Å
132	E	98.1	Very high	96.6	Very high	50 Å²	50	56.6 Å²	56.6	23%	0.234	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.6	179.5	-176.1	172.5	97.5	0	0	110.9	A41 T42 V115 Q117 R134	A41-E132 CarbonylContact C-O 3.54Å; A41-E132 WeakPolarHBondContact CA-O 3.42Å; A41-E132 HydrophobicContact CB-CB 4.32Å; T42-E132 PolarHBondContact N-O 2.96Å; V115-E132 HydrophobicContact CG1-CG 4.09Å; Q117-E132 PolarHBondContact NE2-OE2 2.78Å; Q117-E132 VanDerWaalsContact NE2-OE2 3.17Å; Q117-E132 VanDerWaalsContact OE1-CA 3.29Å; E132-R134 HydrophobicContact CG-CG 4.21Å; E132-R134 IonicContact OE1-CZ 2.75Å; E132-R134 IonicContact OE1-NE 3.12Å; E132-R134 PolarHBondContact OE1-NE 2.94Å; E132-R134 IonicContact OE1-NH2 3.91Å; E132-R134 PolarHBondContact OE1-NH2 2.95Å; E132-R134 IonicContact OE2-NH2 2.67Å
133	V	98.2	Very high	96.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119	173.3	-174	0	0	0	0	108.4	T42 V57 M60 L94 V115 V116 V118 I135	T42-V133 CarbonylContact O-C 3.21Å; T42-V133 VanDerWaalsContact O-CA 3.32Å; T42-V133 WeakPolarHBondContact O-CA 3.37Å; V57-V133 HydrophobicContact CG2-CG1 4.04Å; M60-V133 HydrophobicContact CE-CG2 3.58Å; M60-V133 HydrophobicContact SD-CG2 3.69Å; L94-V133 HydrophobicContact CD1-CB 4.29Å; L94-V133 HydrophobicContact CD1-CG1 3.94Å; L94-V133 HydrophobicContact CD1-CG2 3.86Å; V115-V133 WeakPolarHBondContact CA-O 3.03Å; V116-V133 HydrophobicContact CG2-CB 3.88Å; V116-V133 HydrophobicContact CG2-CG2 4.49Å; V116-V133 PolarHBondContact N-O 3.04Å; V116-V133 PolarHBondContact O-N 3.17Å; V118-V133 HydrophobicContact CG2-CG2 3.91Å; V133-I135 HydrophobicContact CG1-CD1 3.81Å; V133-I135 HydrophobicContact CG1-CG1 4.28Å
134	R	98.3	Very high	96.8	Very high	117 Å²	117	56 Å²	56	44%	0.442	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.9	174.4	-58.4	-173.1	-174.4	-158.4	-4.1	109.2	T42 I43 V44 V115 E132	T42-R134 PolarHBondContact O-N 2.83Å; I43-R134 WeakPolarHBondContact CA-O 3.45Å; I43-R134 HydrophobicContact CG1-CB 4.33Å; V44-R134 PolarHBondContact N-O 3.35Å; V115-R134 HydrophobicContact CG1-CG 4.34Å; V115-R134 HydrophobicContact CG2-CG 4.2Å; E132-R134 HydrophobicContact CG-CG 4.21Å; E132-R134 IonicContact OE1-CZ 2.75Å; E132-R134 IonicContact OE1-NE 3.12Å; E132-R134 PolarHBondContact OE1-NE 2.94Å; E132-R134 IonicContact OE1-NH2 3.91Å; E132-R134 PolarHBondContact OE1-NH2 2.95Å; E132-R134 IonicContact OE2-NH2 2.67Å
135	I	98.3	Very high	97.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.1	174	-55	93.7	0	0	0	107.3	V44 I46 L56 V85 S113 I114 V116 V133	V44-I135 HydrophobicContact CG2-CB 4.2Å; V44-I135 HydrophobicContact CG2-CG1 3.74Å; V44-I135 HydrophobicContact CG2-CG2 4.27Å; V44-I135 WeakPolarHBondContact O-CA 3.41Å; I46-I135 HydrophobicContact CD1-CG2 4.03Å; I46-I135 HydrophobicContact CG1-CG2 3.76Å; L56-I135 HydrophobicContact CD1-CG1 4.34Å; L56-I135 HydrophobicContact CD2-CG2 4.17Å; V85-I135 HydrophobicContact CG2-CD1 4.23Å; S113-I135 CarbonylContact C-O 3.6Å; S113-I135 WeakPolarHBondContact CA-O 3.15Å; S113-I135 WeakPolarHBondContact CB-O 3.27Å; I114-I135 HydrophobicContact CB-CB 4.25Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.19Å; I114-I135 PolarHBondContact N-O 2.92Å; I114-I135 WeakPolarHBondContact O-CD1 3.47Å; I114-I135 PolarHBondContact O-N 2.83Å; V116-I135 HydrophobicContact CG2-CD1 4.48Å; V133-I135 HydrophobicContact CG1-CD1 3.81Å; V133-I135 HydrophobicContact CG1-CG1 4.28Å
136	V	98.4	Very high	97.4	Very high	65 Å²	65	51.5 Å²	51.5	39%	0.394	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.9	173.4	-178.6	0	0	0	0	108.5	I43 V44 A45 I46	I43-V136 HydrophobicContact CG2-CG2 4.42Å; V44-V136 PolarHBondContact O-N 3.26Å; A45-V136 VanDerWaalsContact CA-O 3.27Å; A45-V136 WeakPolarHBondContact CA-O 3.48Å; A45-V136 HydrophobicContact CB-CB 4.28Å; I46-V136 PolarHBondContact N-O 2.96Å
137	V	98.2	Very high	97.7	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.6	176	-173.6	0	0	0	0	108	E48 L103 R105 I111 H112	E48-V137 HydrophobicContact CB-CG1 3.64Å; L103-V137 HydrophobicContact CD1-CG2 4.24Å; L103-V137 HydrophobicContact CD2-CG1 4.29Å; L103-V137 HydrophobicContact CD2-CG2 4.09Å; L103-V137 HydrophobicContact CG-CG1 4.28Å; L103-V137 HydrophobicContact CG-CG2 4.34Å; R105-V137 HydrophobicContact CB-CG1 4.03Å; R105-V137 WeakPolarHBondContact CD-O 3.2Å; R105-V137 HydrophobicContact CG-CG1 4.3Å; R105-V137 PolarHBondContact NE-O 3.01Å; R105-V137 VanDerWaalsContact NE-O 3.14Å; I111-V137 HydrophobicContact CG2-CG2 4.38Å; I111-V137 VanDerWaalsContact O-CB 3.28Å; I111-V137 WeakPolarHBondContact O-CB 3.32Å; I111-V137 WeakPolarHBondContact O-CG2 3.39Å; H112-V137 PolarHBondContact O-N 3.14Å
138	R	98.1	Very high	97.9	Very high	123 Å²	123	53.4 Å²	53.4	46%	0.464	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.2	179.8	-62.9	-171.2	-65.3	-148.2	-0.5	109.8	A45 I46 D47 E48	A45-R138 HydrophobicContact CB-CG 4.18Å; I46-R138 PolarHBondContact O-N 3.14Å; D47-R138 IonicContact OD1-CZ 3.28Å; D47-R138 IonicContact OD1-NE 2.99Å; D47-R138 PolarHBondContact OD1-NE 2.85Å; D47-R138 IonicContact OD1-NH2 3.82Å; D47-R138 PolarHBondContact OD1-NH2 2.96Å; D47-R138 IonicContact OD2-NH2 3.84Å; E48-R138 PolarHBondContact N-O 2.8Å
139	D	98	Very high	97.9	Very high	32 Å²	32	54 Å²	54	17%	0.171	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-59.7	135.1	175.1	-163.3	81.6	0	0	0	112.1	E48 R105 D181 N184	E48-D139 WeakPolarHBondContact OE1-CA 3.49Å; R105-D139 IonicContact CZ-OD1 2.87Å; R105-D139 IonicContact NH1-OD1 2.75Å; R105-D139 PolarHBondContact NH1-OD1 2.89Å; D139-D181 HydrophobicContact CB-CB 4.46Å; D139-D181 VanDerWaalsContact OD1-CB 3.29Å; D139-D181 WeakPolarHBondContact OD1-CB 3.28Å; D139-D181 PolarHBondContact OD1-N 3.41Å; D139-D181 PolarHBondContact OD2-N 2.94Å; D139-N184 WeakPolarHBondContact OD2-CB 3.46Å; D139-N184 PolarHBondContact OD2-ND2 2.88Å
140	R	97.4	Very high	97.9	Very high	101 Å²	101	60.8 Å²	60.8	38%	0.381	28%	0.282	S	S	.	.			trans	-116.7	154.5	170.7	-70.6	-75.3	-71.4	149.7	3.3	108.7	D47 E48 D142 E243	D47-R140 HydrophobicContact CB-CG 3.99Å; E48-R140 HydrophobicContact CG-CB 3.82Å; E48-R140 HydrophobicContact CG-CG 3.88Å; E48-R140 PolarHBondContact OE1-N 3.28Å; R140-D142 WeakPolarHBondContact CB-OD1 3.42Å; R140-D142 PolarHBondContact O-N 2.75Å; R140-D142 VanDerWaalsContact O-N 3.14Å; R140-D142 VanDerWaalsContact O-OD1 3.12Å; R140-E243 IonicContact CZ-OE1 2.74Å; R140-E243 IonicContact NH1-OE1 3.53Å; R140-E243 PolarHBondContact NH1-OE1 2.84Å; R140-E243 IonicContact NH1-OE2 3.64Å; R140-E243 IonicContact NH2-OE1 2.66Å
141	N	97.6	Very high	97.9	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.07	28%	0.284	C	S	.	.			trans	-88.1	64.7	177.5	-161.5	70.2	0	0	0	109.7	D180 N184 D236 A238 E243 R245	N141-D180 VanDerWaalsContact CA-OD2 3.28Å; N141-D180 WeakPolarHBondContact CA-OD2 3.35Å; N141-D180 PolarHBondContact OD1-OD2 2.86Å; N141-N184 HydrophobicContact CB-CB 4.24Å; N141-N184 WeakPolarHBondContact OD1-CA 3.2Å; N141-N184 WeakPolarHBondContact OD1-CB 3.37Å; N141-D236 VanDerWaalsContact ND2-CG 3.34Å; N141-D236 PolarHBondContact ND2-OD2 3.29Å; N141-D236 PolarHBondContact OD1-OD2 2.92Å; N141-A238 HydrophobicContact CB-CB 4.13Å; N141-E243 PolarHBondContact ND2-O 2.81Å; N141-R245 PolarHBondContact O-NE 2.73Å
142	D	97.1	Very high	97.9	Very high	35 Å²	35	58.6 Å²	58.6	19%	0.187	28%	0.284	C	S	.	.			trans	-99.5	-7.2	-177.4	57.3	-70.1	0	0	0	114.8	R140 D180 R245	R140-D142 WeakPolarHBondContact CB-OD1 3.42Å; R140-D142 PolarHBondContact O-N 2.75Å; R140-D142 VanDerWaalsContact O-N 3.14Å; R140-D142 VanDerWaalsContact O-OD1 3.12Å; D142-D180 PolarHBondContact N-OD2 3.37Å; D142-R245 VanDerWaalsContact CA-NH2 3.33Å; D142-R245 PolarHBondContact O-NH1 3.22Å; D142-R245 PolarHBondContact O-NH2 3.23Å
143	N	97.8	Very high	98	Very high	44 Å²	44	62.5 Å²	62.5	24%	0.235	30%	0.297	C	S	.	.	S	Bend	trans	-105.8	153.6	169.7	-59.1	-80.6	0	0	0	111.7	D106 I179 D180 R245	D106-N143 PolarHBondContact OD2-ND2 3.44Å; N143-I179 HydrophobicContact CB-CD1 4.18Å; N143-I179 HydrophobicContact CB-CG1 3.58Å; N143-I179 VanDerWaalsContact CG-CD1 3.49Å; N143-I179 WeakPolarHBondContact OD1-CD1 3.46Å; N143-D180 WeakPolarHBondContact CB-OD1 3.29Å; N143-D180 PolarHBondContact N-OD1 3.27Å; N143-D180 PolarHBondContact N-OD2 3.14Å; N143-D180 PolarHBondContact ND2-OD1 3.23Å; N143-R245 WeakPolarHBondContact O-CD 3.25Å
144	S	97.7	Very high	98	Very high	46 Å²	46	62.9 Å²	62.9	32%	0.322	30%	0.301	S	S	.	.			trans	-111.1	151.7	179.4	-59.1	0	0	0	0	109.2	T146 R245	S144-T146 PolarHBondContact O-N 2.74Å; S144-R245 WeakPolarHBondContact OG-CD 3.11Å; S144-R245 PolarHBondContact OG-NH1 3.12Å; S144-R245 VanDerWaalsContact OG-NH1 3.14Å
145	P	98.3	Very high	98	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.301	C	S	.	.			trans	-57.1	137.2	176	-28.4	36.1	0	0	0	111.5	A176 D178 I187 A234 D236 T247	P145-A176 HydrophobicContact CB-CB 4.25Å; P145-D178 WeakPolarHBondContact CD-OD2 3.36Å; P145-D178 HydrophobicContact CG-CB 4.48Å; P145-D178 WeakPolarHBondContact CG-OD2 3.24Å; P145-I187 HydrophobicContact CB-CD1 3.6Å; P145-I187 HydrophobicContact CG-CD1 3.57Å; P145-A234 HydrophobicContact CB-CB 4.06Å; P145-D236 HydrophobicContact CG-CB 4.27Å; P145-T247 WeakPolarHBondContact O-CB 3.39Å; P145-T247 PolarHBondContact O-OG1 3.13Å
146	T	98.2	Very high	98	Very high	79 Å²	79	61 Å²	61	49%	0.485	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.8	179.5	51.6	0	0	0	0	110.6	S144 A176 T177	S144-T146 PolarHBondContact O-N 2.74Å; T146-A176 CarbonylContact O-C 3.57Å; T146-A176 WeakPolarHBondContact O-CA 3.08Å; T146-T177 PolarHBondContact N-O 3.43Å; T146-T177 PolarHBondContact O-N 2.85Å; T146-T177 PolarHBondContact OG1-O 3.32Å; T146-T177 VanDerWaalsContact OG1-O 3.11Å
147	F	98.5	Very high	98	Very high	30 Å²	30	60.5 Å²	60.5	13%	0.132	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136.7	172.3	-76.6	-80.6	0	0	0	110.4	H149 Y152 F170 A176 Y189 A234 T247 T249	F147-H149 VanDerWaalsContact C-N 3.27Å; F147-H149 PolarHBondContact O-N 3.14Å; F147-Y152 HydrophobicContact CB-CE2 4.28Å; F147-Y152 AromaticContact CD1-CE2 3.68Å; F147-Y152 HydrophobicContact CD1-CE2 3.68Å; F147-Y152 HydrophobicContact CE1-CE2 4.38Å; F147-Y152 HydrophobicContact CG-CE2 4.26Å; F147-F170 HydrophobicContact CD1-CE1 4.26Å; F147-F170 HydrophobicContact CE1-CD1 4.36Å; F147-F170 AromaticContact CE1-CE1 3.84Å; F147-F170 HydrophobicContact CE1-CE1 3.84Å; F147-F170 HydrophobicContact CE1-CZ 4.11Å; F147-A176 HydrophobicContact CD1-CB 3.92Å; F147-A176 HydrophobicContact CD2-CB 4.42Å; F147-A176 HydrophobicContact CE1-CB 3.94Å; F147-A176 HydrophobicContact CE2-CB 4.42Å; F147-A176 HydrophobicContact CG-CB 4.18Å; F147-A176 HydrophobicContact CZ-CB 4.18Å; F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.77Å; F147-Y189 HydrophobicContact CE1-CE1 3.77Å; F147-Y189 HydrophobicContact CZ-CD1 4.33Å; F147-Y189 HydrophobicContact CZ-CE1 4.11Å; F147-A234 HydrophobicContact CE1-CB 4.45Å; F147-A234 HydrophobicContact CE2-CB 3.8Å; F147-A234 HydrophobicContact CZ-CB 3.62Å; F147-T247 HydrophobicContact CD2-CG2 3.91Å; F147-T247 HydrophobicContact CE2-CG2 4.34Å; F147-T249 HydrophobicContact CD1-CG2 3.78Å; F147-T249 HydrophobicContact CD2-CG2 4.04Å; F147-T249 HydrophobicContact CE1-CG2 3.48Å; F147-T249 VanDerWaalsContact CE1-CG2 3.48Å; F147-T249 HydrophobicContact CE2-CG2 3.77Å; F147-T249 HydrophobicContact CG-CG2 4.05Å; F147-T249 HydrophobicContact CZ-CG2 3.48Å; F147-T249 VanDerWaalsContact CZ-CG2 3.48Å
148	K	98	Very high	97.9	Very high	124 Å²	124	60.8 Å²	60.8	54%	0.539	30%	0.299	S	S	.	.	S	Bend	trans	-64.8	-31.3	177.1	-171.8	173.8	-170.5	168.4	0	113.6	D173 G175	K148-D173 WeakPolarHBondContact CD-O 3.29Å; K148-D173 PolarHBondContact NZ-O 3.44Å; K148-G175 PolarHBondContact N-O 3.45Å
149	H	98	Very high	97.9	Very high	81 Å²	81	59.5 Å²	59.5	38%	0.375	30%	0.3	S	S	.	.	S	Bend	trans	-121	144	179.6	-55.3	-75.4	0	0	0	109.8	F147 S151 Y152 N174	F147-H149 VanDerWaalsContact C-N 3.27Å; F147-H149 PolarHBondContact O-N 3.14Å; H149-S151 WeakPolarHBondContact CB-O 3.43Å; H149-S151 PolarHBondContact O-N 3.18Å; H149-Y152 HydrophobicContact CB-CE1 4.27Å; H149-Y152 HydrophobicContact CB-CE2 4.14Å; H149-Y152 AromaticContact CD2-CE1 3.66Å; H149-Y152 AromaticContact CD2-CZ 3.89Å; H149-N174 PolarHBondContact NE2-OD1 3.16Å
150	E	96.7	Very high	97.9	Very high	196 Å²	196	59.2 Å²	59.2	92%	0.916	30%	0.3	S	S	*	.	S	Bend	trans	-62.8	-32.9	176.6	-64.1	-177.3	169.8	0	0	112	T249	E150-T249 PolarHBondContact O-OG1 3.11Å; E150-T249 VanDerWaalsContact O-OG1 3.09Å
151	S	97.3	Very high	98	Very high	78 Å²	78	58.6 Å²	58.6	55%	0.545	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.8	179.1	63.9	0	0	0	0	111.4	H149	H149-S151 WeakPolarHBondContact CB-O 3.43Å; H149-S151 PolarHBondContact O-N 3.18Å
152	Y	98.6	Very high	98	Very high	13 Å²	13	61.3 Å²	61.3	5%	0.051	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156	178.3	-66.3	-96.6	0	0	0	110.3	F147 H149 F167 F170 N174 G175 T249 T250 L251 T252	F147-Y152 HydrophobicContact CB-CE2 4.28Å; F147-Y152 AromaticContact CD1-CE2 3.68Å; F147-Y152 HydrophobicContact CD1-CE2 3.68Å; F147-Y152 HydrophobicContact CE1-CE2 4.38Å; F147-Y152 HydrophobicContact CG-CE2 4.26Å; H149-Y152 HydrophobicContact CB-CE1 4.27Å; H149-Y152 HydrophobicContact CB-CE2 4.14Å; H149-Y152 AromaticContact CD2-CE1 3.66Å; H149-Y152 AromaticContact CD2-CZ 3.89Å; Y152-F167 HydrophobicContact CD1-CE2 4.34Å; Y152-F167 AromaticContact CD1-CZ 3.66Å; Y152-F167 HydrophobicContact CD1-CZ 3.66Å; Y152-F167 HydrophobicContact CG-CZ 4.05Å; Y152-F170 HydrophobicContact CD1-CD1 4.22Å; Y152-F170 AromaticContact CD1-CE1 3.88Å; Y152-F170 HydrophobicContact CD1-CE1 3.88Å; Y152-F170 AromaticContact CD2-CE1 3.77Å; Y152-F170 HydrophobicContact CD2-CE1 3.77Å; Y152-F170 AromaticContact CE1-CD1 3.82Å; Y152-F170 HydrophobicContact CE1-CD1 3.82Å; Y152-F170 AromaticContact CE1-CE1 3.78Å; Y152-F170 HydrophobicContact CE1-CE1 3.78Å; Y152-F170 HydrophobicContact CE2-CD1 4.4Å; Y152-F170 AromaticContact CE2-CE1 3.72Å; Y152-F170 HydrophobicContact CE2-CE1 3.72Å; Y152-F170 AromaticContact CG-CE1 3.86Å; Y152-F170 HydrophobicContact CG-CE1 3.86Å; Y152-F170 AromaticContact CZ-CD1 3.94Å; Y152-F170 AromaticContact CZ-CE1 3.71Å; Y152-N174 WeakPolarHBondContact CE1-O 2.85Å; Y152-N174 PolarHBondContact OH-O 3.29Å; Y152-G175 PolarHBondContact OH-O 3.38Å; Y152-T249 HydrophobicContact CD2-CG2 3.75Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.27Å; Y152-T249 HydrophobicContact CE2-CG2 3.89Å; Y152-T250 PolarHBondContact N-O 2.81Å; Y152-L251 WeakPolarHBondContact O-CA 3.33Å; Y152-T252 PolarHBondContact O-N 3.03Å
153	Y	98.6	Very high	98	Very high	132 Å²	132	62.1 Å²	62.1	52%	0.518	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.7	-176.5	-177.4	-102.8	0	0	0	111.6	T155 T252 D254	Y153-T155 HydrophobicContact CE1-CG2 3.6Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.4Å; Y153-T252 CarbonylContact C-O 3.6Å; Y153-T252 WeakPolarHBondContact CA-O 3.12Å; Y153-T252 HydrophobicContact CD2-CG2 4.13Å; Y153-T252 HydrophobicContact CE2-CG2 4.29Å; Y153-D254 HydrophobicContact CE2-CB 4.28Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.28Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.19Å; Y153-D254 PolarHBondContact OH-OD2 3.18Å
154	A	98.3	Very high	98	Very high	9 Å²	9	62.6 Å²	62.6	7%	0.074	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.9	172.7	0	0	0	0	0	111.1	F167 L251 T252 V253 D254	A154-F167 HydrophobicContact CB-CB 4.32Å; A154-F167 HydrophobicContact CB-CD2 4.04Å; A154-L251 HydrophobicContact CB-CD1 4.12Å; A154-T252 PolarHBondContact N-O 2.95Å; A154-V253 HydrophobicContact CB-CG2 4.49Å; A154-V253 WeakPolarHBondContact O-CA 3.27Å; A154-D254 PolarHBondContact O-N 3.17Å
155	T	98.2	Very high	98.1	Very high	71 Å²	71	63.7 Å²	63.7	44%	0.436	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.1	170.7	57	0	0	0	0	109.6	Y153 D254 L256	Y153-T155 HydrophobicContact CE1-CG2 3.6Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.4Å; T155-D254 CarbonylContact C-O 3.56Å; T155-D254 VanDerWaalsContact CA-O 3.28Å; T155-D254 WeakPolarHBondContact CA-O 3.21Å; T155-D254 HydrophobicContact CG2-CB 4.37Å; T155-L256 HydrophobicContact CG2-CD2 4.35Å
156	V	98.4	Very high	98.1	Very high	5 Å²	5	65 Å²	65	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.5	179.7	56.9	0	0	0	0	109.4	T160 I166 L220 V253 D254 V255 L256	V156-T160 HydrophobicContact CG2-CG2 4.08Å; V156-T160 WeakPolarHBondContact CG2-OG1 3.42Å; V156-I166 HydrophobicContact CB-CG2 4.31Å; V156-I166 HydrophobicContact CG2-CB 4.47Å; V156-I166 HydrophobicContact CG2-CG2 3.72Å; V156-L220 HydrophobicContact CB-CD1 4.18Å; V156-L220 HydrophobicContact CG1-CD1 3.41Å; V156-L220 VanDerWaalsContact CG1-CD1 3.41Å; V156-L220 HydrophobicContact CG2-CD1 3.66Å; V156-V253 HydrophobicContact CB-CG1 4.47Å; V156-V253 HydrophobicContact CG1-CG1 3.56Å; V156-D254 PolarHBondContact N-O 2.63Å; V156-V255 HydrophobicContact CG1-CG2 4.43Å; V156-V255 CarbonylContact O-C 3.5Å; V156-V255 VanDerWaalsContact O-CA 3.28Å; V156-V255 WeakPolarHBondContact O-CA 3.39Å; V156-L256 PolarHBondContact O-N 2.66Å
157	N	98.1	Very high	98.1	Very high	55 Å²	55	62.1 Å²	62.1	29%	0.294	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.1	173.7	-173.6	-80.9	0	0	0	109.9	L159 T160	N157-L159 PolarHBondContact O-N 2.98Å; N157-L159 VanDerWaalsContact O-N 3.17Å; N157-L159 WeakPolarHBondContact OD1-CB 3.4Å; N157-L159 WeakPolarHBondContact OD1-CG 3.03Å; N157-L159 PolarHBondContact OD1-N 2.81Å; N157-T160 WeakPolarHBondContact O-CB 3.46Å; N157-T160 PolarHBondContact O-N 3.33Å; N157-T160 PolarHBondContact O-OG1 3.45Å
158	E	98.1	Very high	98.1	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.047	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-27.8	-177.5	76.4	-175.4	118.7	0	0	114.3	T160 L220 N221 Y222 V255 L256 G258	E158-T160 PolarHBondContact O-N 2.72Å; E158-L220 HydrophobicContact CB-CB 4.09Å; E158-N221 WeakPolarHBondContact OE2-CA 3.48Å; E158-Y222 VanDerWaalsContact OE1-CB 3.28Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.47Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.39Å; E158-Y222 PolarHBondContact OE2-N 3.25Å; E158-V255 HydrophobicContact CB-CG1 3.75Å; E158-L256 PolarHBondContact N-O 3.18Å; E158-G258 PolarHBondContact OE1-N 3.36Å
159	L	97.8	Very high	98	Very high	95 Å²	95	59.2 Å²	59.2	50%	0.497	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.8	176.7	-61.1	174.3	0	0	0	112.9	N157 P161 D260	N157-L159 PolarHBondContact O-N 2.98Å; N157-L159 VanDerWaalsContact O-N 3.17Å; N157-L159 WeakPolarHBondContact OD1-CB 3.4Å; N157-L159 WeakPolarHBondContact OD1-CG 3.03Å; N157-L159 PolarHBondContact OD1-N 2.81Å; L159-P161 WeakPolarHBondContact O-CD 3.48Å; L159-D260 HydrophobicContact CD2-CB 3.74Å
160	T	98	Very high	98	Very high	26 Å²	26	55.8 Å²	55.8	16%	0.16	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-61.7	124.5	-179.8	-60.9	0	0	0	0	109.9	V156 N157 E158 T164 I166 L216	V156-T160 HydrophobicContact CG2-CG2 4.08Å; V156-T160 WeakPolarHBondContact CG2-OG1 3.42Å; N157-T160 WeakPolarHBondContact O-CB 3.46Å; N157-T160 PolarHBondContact O-N 3.33Å; N157-T160 PolarHBondContact O-OG1 3.45Å; E158-T160 PolarHBondContact O-N 2.72Å; T160-T164 VanDerWaalsContact CG2-CB 3.49Å; T160-T164 HydrophobicContact CG2-CG2 3.74Å; T160-I166 HydrophobicContact CG2-CG2 4.29Å; T160-L216 HydrophobicContact CG2-CD2 4Å; T160-L216 WeakPolarHBondContact O-CD2 3.25Å
161	P	98.2	Very high	98	Very high	89 Å²	89	49.9 Å²	49.9	58%	0.578	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-62.2	142.9	178.1	-24	34.4	0	0	0	112.2	L159 T164	L159-P161 WeakPolarHBondContact O-CD 3.48Å; P161-T164 VanDerWaalsContact O-CB 3.27Å; P161-T164 WeakPolarHBondContact O-CB 3.21Å; P161-T164 PolarHBondContact O-N 2.75Å; P161-T164 PolarHBondContact O-OG1 2.57Å
162	V	98.2	Very high	97.9	Very high	70 Å²	70	49.5 Å²	49.5	42%	0.424	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	139.1	168.5	173.3	0	0	0	0	109.7	R217 R219	V162-R217 WeakPolarHBondContact CG1-O 3.48Å; V162-R219 HydrophobicContact CG2-CB 4.47Å; V162-R219 HydrophobicContact CG2-CG 3.67Å
163	G	97.7	Very high	97.7	Very high	52 Å²	52	54.8 Å²	54.8	54%	0.536	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-4.5	-173.2	0	0	0	0	0	114.2	L216	G163-L216 PolarHBondContact N-O 2.76Å
164	T	98.3	Very high	97.7	Very high	54 Å²	54	50.9 Å²	50.9	33%	0.331	33%	0.328	S	S	.	.			trans	-75.2	132.9	174.5	-52.6	0	0	0	0	110.9	T160 P161 I166 V215 L216	T160-T164 VanDerWaalsContact CG2-CB 3.49Å; T160-T164 HydrophobicContact CG2-CG2 3.74Å; P161-T164 VanDerWaalsContact O-CB 3.27Å; P161-T164 WeakPolarHBondContact O-CB 3.21Å; P161-T164 PolarHBondContact O-N 2.75Å; P161-T164 PolarHBondContact O-OG1 2.57Å; T164-I166 PolarHBondContact O-N 3.39Å; T164-V215 WeakPolarHBondContact O-CA 3.27Å; T164-L216 PolarHBondContact O-N 3.09Å
165	T	98.4	Very high	97.6	Very high	69 Å²	69	50.5 Å²	50.5	42%	0.423	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	117.7	168.4	-54.8	0	0	0	0	109.8	T168 N213	T165-T168 HydrophobicContact CG2-CG2 3.69Å; T165-N213 HydrophobicContact CG2-CB 4.01Å
166	I	97.9	Very high	97.6	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.138	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-16.6	-175.8	59.9	89.3	0	0	0	113	V156 T160 T164 F204 V214 L216 V253	V156-I166 HydrophobicContact CB-CG2 4.31Å; V156-I166 HydrophobicContact CG2-CB 4.47Å; V156-I166 HydrophobicContact CG2-CG2 3.72Å; T160-I166 HydrophobicContact CG2-CG2 4.29Å; T164-I166 PolarHBondContact O-N 3.39Å; I166-F204 HydrophobicContact CD1-CD1 4.05Å; I166-F204 HydrophobicContact CD1-CE1 4.02Å; I166-F204 HydrophobicContact CG1-CD1 4.12Å; I166-F204 HydrophobicContact CG1-CE1 4.15Å; I166-V214 HydrophobicContact CD1-CB 4.13Å; I166-V214 HydrophobicContact CD1-CG1 3.88Å; I166-V214 HydrophobicContact CG1-CG1 4.27Å; I166-V214 PolarHBondContact N-O 2.77Å; I166-L216 HydrophobicContact CG2-CB 4.02Å; I166-V253 HydrophobicContact CD1-CG2 4.48Å
167	F	98.5	Very high	97.6	Very high	19 Å²	19	49.8 Å²	49.8	8%	0.083	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	133.6	178.7	175.6	-95.5	0	0	0	112	Y152 A154 F170 N213 V214 L251	Y152-F167 HydrophobicContact CD1-CE2 4.34Å; Y152-F167 AromaticContact CD1-CZ 3.66Å; Y152-F167 HydrophobicContact CD1-CZ 3.66Å; Y152-F167 HydrophobicContact CG-CZ 4.05Å; A154-F167 HydrophobicContact CB-CB 4.32Å; A154-F167 HydrophobicContact CB-CD2 4.04Å; F167-F170 HydrophobicContact CD1-CE2 4.46Å; F167-F170 AromaticContact CE1-CD1 3.84Å; F167-F170 HydrophobicContact CE1-CD1 3.84Å; F167-F170 AromaticContact CE1-CD2 3.89Å; F167-F170 HydrophobicContact CE1-CD2 3.89Å; F167-F170 AromaticContact CE1-CE1 3.77Å; F167-F170 HydrophobicContact CE1-CE1 3.77Å; F167-F170 AromaticContact CE1-CE2 3.8Å; F167-F170 HydrophobicContact CE1-CE2 3.8Å; F167-F170 AromaticContact CE1-CG 3.93Å; F167-F170 HydrophobicContact CE1-CG 3.93Å; F167-F170 AromaticContact CE1-CZ 3.76Å; F167-F170 HydrophobicContact CE1-CZ 3.76Å; F167-F170 HydrophobicContact CZ-CD1 4.16Å; F167-F170 HydrophobicContact CZ-CE1 4.05Å; F167-F170 HydrophobicContact CZ-CZ 4.4Å; F167-N213 WeakPolarHBondContact O-CA 3.37Å; F167-V214 HydrophobicContact CB-CB 4.11Å; F167-V214 HydrophobicContact CB-CG2 4.42Å; F167-V214 HydrophobicContact CD1-CG2 4.02Å; F167-V214 PolarHBondContact N-O 2.69Å; F167-V214 PolarHBondContact O-N 3.21Å; F167-L251 HydrophobicContact CB-CD2 4.24Å; F167-L251 HydrophobicContact CD1-CD2 4.05Å; F167-L251 HydrophobicContact CD2-CD1 3.89Å; F167-L251 HydrophobicContact CE2-CD1 3.87Å; F167-L251 HydrophobicContact CG-CD1 4.24Å; F167-L251 HydrophobicContact CG-CD2 4.04Å; F167-L251 HydrophobicContact CZ-CD1 4.21Å
168	T	98.2	Very high	97.6	Very high	74 Å²	74	48.1 Å²	48.1	45%	0.454	31%	0.313	S	S	.	.			trans	-130.3	17.9	178.2	57.7	0	0	0	0	111.9	T165 F170 S171	T165-T168 HydrophobicContact CG2-CG2 3.69Å; T168-F170 PolarHBondContact O-N 2.82Å; T168-F170 VanDerWaalsContact O-N 3.09Å; T168-S171 WeakPolarHBondContact O-CB 3.34Å; T168-S171 PolarHBondContact O-N 3.39Å; T168-S171 VanDerWaalsContact O-N 3.15Å; T168-S171 PolarHBondContact O-OG 2.72Å
169	G	97.4	Very high	97.6	Very high	19 Å²	19	51.1 Å²	51.1	20%	0.196	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.1	-170.4	0	0	0	0	0	115.3	N174	G169-N174 WeakPolarHBondContact O-CB 3.34Å; G169-N174 PolarHBondContact O-ND2 3.37Å
170	F	98	Very high	97.6	Very high	8 Å²	8	47 Å²	47	4%	0.035	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.9	172.4	-59.3	-34.9	0	0	0	114.1	F147 Y152 F167 T168 G175 Y189 G212 I232 T249	F147-F170 HydrophobicContact CD1-CE1 4.26Å; F147-F170 HydrophobicContact CE1-CD1 4.36Å; F147-F170 AromaticContact CE1-CE1 3.84Å; F147-F170 HydrophobicContact CE1-CE1 3.84Å; F147-F170 HydrophobicContact CE1-CZ 4.11Å; Y152-F170 HydrophobicContact CD1-CD1 4.22Å; Y152-F170 AromaticContact CD1-CE1 3.88Å; Y152-F170 HydrophobicContact CD1-CE1 3.88Å; Y152-F170 AromaticContact CD2-CE1 3.77Å; Y152-F170 HydrophobicContact CD2-CE1 3.77Å; Y152-F170 AromaticContact CE1-CD1 3.82Å; Y152-F170 HydrophobicContact CE1-CD1 3.82Å; Y152-F170 AromaticContact CE1-CE1 3.78Å; Y152-F170 HydrophobicContact CE1-CE1 3.78Å; Y152-F170 HydrophobicContact CE2-CD1 4.4Å; Y152-F170 AromaticContact CE2-CE1 3.72Å; Y152-F170 HydrophobicContact CE2-CE1 3.72Å; Y152-F170 AromaticContact CG-CE1 3.86Å; Y152-F170 HydrophobicContact CG-CE1 3.86Å; Y152-F170 AromaticContact CZ-CD1 3.94Å; Y152-F170 AromaticContact CZ-CE1 3.71Å; F167-F170 HydrophobicContact CD1-CE2 4.46Å; F167-F170 AromaticContact CE1-CD1 3.84Å; F167-F170 HydrophobicContact CE1-CD1 3.84Å; F167-F170 AromaticContact CE1-CD2 3.89Å; F167-F170 HydrophobicContact CE1-CD2 3.89Å; F167-F170 AromaticContact CE1-CE1 3.77Å; F167-F170 HydrophobicContact CE1-CE1 3.77Å; F167-F170 AromaticContact CE1-CE2 3.8Å; F167-F170 HydrophobicContact CE1-CE2 3.8Å; F167-F170 AromaticContact CE1-CG 3.93Å; F167-F170 HydrophobicContact CE1-CG 3.93Å; F167-F170 AromaticContact CE1-CZ 3.76Å; F167-F170 HydrophobicContact CE1-CZ 3.76Å; F167-F170 HydrophobicContact CZ-CD1 4.16Å; F167-F170 HydrophobicContact CZ-CE1 4.05Å; F167-F170 HydrophobicContact CZ-CZ 4.4Å; T168-F170 PolarHBondContact O-N 2.82Å; T168-F170 VanDerWaalsContact O-N 3.09Å; F170-G175 PolarHBondContact O-N 3.2Å; F170-Y189 HydrophobicContact CB-CE1 4.46Å; F170-Y189 HydrophobicContact CB-CE2 4.37Å; F170-Y189 HydrophobicContact CD2-CD1 4.03Å; F170-Y189 HydrophobicContact CD2-CE1 4.03Å; F170-Y189 HydrophobicContact CD2-CG 4.33Å; F170-Y189 HydrophobicContact CE2-CD1 4.14Å; F170-Y189 HydrophobicContact CE2-CE1 4.4Å; F170-Y189 HydrophobicContact CG-CE1 4.14Å; F170-G212 VanDerWaalsContact CD2-O 3.27Å; F170-G212 WeakPolarHBondContact CD2-O 3.28Å; F170-I232 HydrophobicContact CE2-CD1 3.71Å; F170-I232 HydrophobicContact CE2-CG2 3.85Å; F170-I232 HydrophobicContact CZ-CB 4.35Å; F170-I232 HydrophobicContact CZ-CD1 3.64Å; F170-I232 HydrophobicContact CZ-CG2 4Å; F170-T249 HydrophobicContact CE1-CG2 4.45Å; F170-T249 HydrophobicContact CZ-CG2 4.32Å
171	S	96.9	Very high	97.6	Very high	72 Å²	72	49.8 Å²	49.8	50%	0.503	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	153.7	177.7	60.2	0	0	0	0	112.8	T168 N174	T168-S171 WeakPolarHBondContact O-CB 3.34Å; T168-S171 PolarHBondContact O-N 3.39Å; T168-S171 VanDerWaalsContact O-N 3.15Å; T168-S171 PolarHBondContact O-OG 2.72Å; S171-N174 VanDerWaalsContact O-CB 3.3Å; S171-N174 WeakPolarHBondContact O-CB 3.25Å; S171-N174 PolarHBondContact O-N 3.41Å
172	G	94.6	Very high	97.5	Very high	70 Å²	70	47 Å²	47	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	48.7	173.2	0	0	0	0	0	114.3	N174	G172-N174 PolarHBondContact O-N 3.39Å
173	D	94.5	Very high	97.5	Very high	124 Å²	124	46.9 Å²	46.9	66%	0.663	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	30	-179.4	-49	-24.8	0	0	0	112.9	K148 T177	K148-D173 WeakPolarHBondContact CD-O 3.29Å; K148-D173 PolarHBondContact NZ-O 3.44Å; D173-T177 HydrophobicContact CB-CG2 4.15Å
174	N	97.6	Very high	97.4	Very high	50 Å²	50	45.5 Å²	45.5	27%	0.267	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-9.7	173.1	-162.2	65.6	0	0	0	112.6	H149 Y152 G169 S171 G172	H149-N174 PolarHBondContact NE2-OD1 3.16Å; Y152-N174 WeakPolarHBondContact CE1-O 2.85Å; Y152-N174 PolarHBondContact OH-O 3.29Å; G169-N174 WeakPolarHBondContact O-CB 3.34Å; G169-N174 PolarHBondContact O-ND2 3.37Å; S171-N174 VanDerWaalsContact O-CB 3.3Å; S171-N174 WeakPolarHBondContact O-CB 3.25Å; S171-N174 PolarHBondContact O-N 3.41Å; G172-N174 PolarHBondContact O-N 3.39Å
175	G	97.5	Very high	97.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	-88	-136.4	172.3	0	0	0	0	0	113	K148 Y152 F170	K148-G175 PolarHBondContact N-O 3.45Å; Y152-G175 PolarHBondContact OH-O 3.38Å; F170-G175 PolarHBondContact O-N 3.2Å
176	A	97.9	Very high	97.3	Very high	8 Å²	8	44.3 Å²	44.3	7%	0.066	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.6	170.3	0	0	0	0	0	111.3	P145 T146 F147 I187 Y189 A234	P145-A176 HydrophobicContact CB-CB 4.25Å; T146-A176 CarbonylContact O-C 3.57Å; T146-A176 WeakPolarHBondContact O-CA 3.08Å; F147-A176 HydrophobicContact CD1-CB 3.92Å; F147-A176 HydrophobicContact CD2-CB 4.42Å; F147-A176 HydrophobicContact CE1-CB 3.94Å; F147-A176 HydrophobicContact CE2-CB 4.42Å; F147-A176 HydrophobicContact CG-CB 4.18Å; F147-A176 HydrophobicContact CZ-CB 4.18Å; A176-I187 HydrophobicContact CB-CG2 4.27Å; A176-Y189 HydrophobicContact CB-CE1 3.96Å; A176-Y189 PolarHBondContact N-OH 3Å; A176-Y189 PolarHBondContact O-OH 3.1Å; A176-A234 HydrophobicContact CB-CB 3.51Å
177	T	98	Very high	97.4	Very high	54 Å²	54	44 Å²	44	33%	0.331	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.4	172.3	51.4	0	0	0	0	109.4	T146 D173	T146-T177 PolarHBondContact N-O 3.43Å; T146-T177 PolarHBondContact O-N 2.85Å; T146-T177 PolarHBondContact OG1-O 3.32Å; T146-T177 VanDerWaalsContact OG1-O 3.11Å; D173-T177 HydrophobicContact CB-CG2 4.15Å
178	D	98.4	Very high	97.3	Very high	20 Å²	20	44.7 Å²	44.7	11%	0.107	28%	0.282	C	S	.	.			trans	-119.4	141.2	171	-157.7	-44	0	0	0	108.3	P145 D180 I187	P145-D178 WeakPolarHBondContact CD-OD2 3.36Å; P145-D178 HydrophobicContact CG-CB 4.48Å; P145-D178 WeakPolarHBondContact CG-OD2 3.24Å; D178-D180 PolarHBondContact OD1-N 2.94Å; D178-I187 HydrophobicContact CB-CD1 3.77Å
179	I	98.1	Very high	97.4	Very high	73 Å²	73	41.7 Å²	41.7	37%	0.374	26%	0.263	S	S	.	.			trans	-92.6	-13.1	-173	67.6	171.7	0	0	0	112.8	D106 N143	D106-I179 HydrophobicContact CB-CD1 4.14Å; D106-I179 HydrophobicContact CB-CG1 4.3Å; N143-I179 HydrophobicContact CB-CD1 4.18Å; N143-I179 HydrophobicContact CB-CG1 3.58Å; N143-I179 VanDerWaalsContact CG-CD1 3.49Å; N143-I179 WeakPolarHBondContact OD1-CD1 3.46Å
180	D	98.3	Very high	97.4	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.043	27%	0.266	C	S	.	.	S	Bend	trans	-64.8	163.1	174.1	-60.8	-15.7	0	0	0	110.5	N141 D142 N143 D178 N184 G185	N141-D180 VanDerWaalsContact CA-OD2 3.28Å; N141-D180 WeakPolarHBondContact CA-OD2 3.35Å; N141-D180 PolarHBondContact OD1-OD2 2.86Å; D142-D180 PolarHBondContact N-OD2 3.37Å; N143-D180 WeakPolarHBondContact CB-OD1 3.29Å; N143-D180 PolarHBondContact N-OD1 3.27Å; N143-D180 PolarHBondContact N-OD2 3.14Å; N143-D180 PolarHBondContact ND2-OD1 3.23Å; D178-D180 PolarHBondContact OD1-N 2.94Å; D180-N184 HydrophobicContact CB-CB 3.49Å; D180-N184 VanDerWaalsContact CB-CB 3.49Å; D180-G185 WeakPolarHBondContact O-CA 3.19Å; D180-G185 PolarHBondContact O-N 2.95Å
181	D	97.3	Very high	97.4	Very high	85 Å²	85	43.8 Å²	43.8	46%	0.455	27%	0.271	S	S	.	.			trans	-96.2	160.5	-177.4	-170.5	25.9	0	0	0	113.9	R105 D139 N184 G185	R105-D181 IonicContact CZ-OD2 2.84Å; R105-D181 IonicContact NH1-OD2 3.7Å; R105-D181 PolarHBondContact NH1-OD2 3.01Å; R105-D181 IonicContact NH2-OD2 3.48Å; R105-D181 PolarHBondContact NH2-OD2 3.1Å; D139-D181 HydrophobicContact CB-CB 4.46Å; D139-D181 VanDerWaalsContact OD1-CB 3.29Å; D139-D181 WeakPolarHBondContact OD1-CB 3.28Å; D139-D181 PolarHBondContact OD1-N 3.41Å; D139-D181 PolarHBondContact OD2-N 2.94Å; D181-N184 WeakPolarHBondContact O-CB 3.4Å; D181-N184 PolarHBondContact O-N 2.94Å; D181-N184 VanDerWaalsContact O-N 3.16Å; D181-G185 PolarHBondContact O-N 3.35Å
182	G	96.1	Very high	97.5	Very high	30 Å²	30	43.6 Å²	43.6	31%	0.309	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-131.9	173.4	0	0	0	0	0	112.6	N184 G185 Q186	G182-N184 VanDerWaalsContact C-N 3.31Å; G182-G185 PolarHBondContact O-N 3.33Å; G182-Q186 VanDerWaalsContact O-CG 3.25Å; G182-Q186 WeakPolarHBondContact O-CG 3.48Å; G182-Q186 PolarHBondContact O-N 3.33Å; G182-Q186 PolarHBondContact O-NE2 2.83Å
183	P	97.2	Very high	97.6	Very high	67 Å²	67	46.4 Å²	46.4	44%	0.435	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.2	177.6	-21.8	34.4	0	0	0	114.5	G185 Q186 R237	P183-G185 VanDerWaalsContact C-N 3.28Å; P183-Q186 PolarHBondContact O-N 3.34Å; P183-R237 HydrophobicContact CB-CB 4.33Å; P183-R237 VanDerWaalsContact CB-O 3.29Å; P183-R237 WeakPolarHBondContact CB-O 3.28Å; P183-R237 CarbonylContact O-C 3.56Å; P183-R237 VanDerWaalsContact O-CA 3.25Å; P183-R237 WeakPolarHBondContact O-CA 3.36Å; P183-R237 VanDerWaalsContact O-CB 3.26Å; P183-R237 WeakPolarHBondContact O-CB 3.48Å; P183-R237 PolarHBondContact O-N 2.98Å
184	N	97.6	Very high	97.8	Very high	24 Å²	24	40.9 Å²	40.9	13%	0.128	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-35.5	177.5	-63.3	-15.1	0	0	0	110	D139 N141 D180 D181 G182 Q186 D236 A238	D139-N184 WeakPolarHBondContact OD2-CB 3.46Å; D139-N184 PolarHBondContact OD2-ND2 2.88Å; N141-N184 HydrophobicContact CB-CB 4.24Å; N141-N184 WeakPolarHBondContact OD1-CA 3.2Å; N141-N184 WeakPolarHBondContact OD1-CB 3.37Å; D180-N184 HydrophobicContact CB-CB 3.49Å; D180-N184 VanDerWaalsContact CB-CB 3.49Å; D181-N184 WeakPolarHBondContact O-CB 3.4Å; D181-N184 PolarHBondContact O-N 2.94Å; D181-N184 VanDerWaalsContact O-N 3.16Å; G182-N184 VanDerWaalsContact C-N 3.31Å; N184-Q186 PolarHBondContact O-N 3.16Å; N184-D236 WeakPolarHBondContact O-CB 3.25Å; N184-A238 WeakPolarHBondContact OD1-CA 3.28Å
185	G	97	Very high	97.8	Very high	20 Å²	20	43 Å²	43	21%	0.206	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.3	173	0	0	0	0	0	116.9	D180 D181 G182 P183	D180-G185 WeakPolarHBondContact O-CA 3.19Å; D180-G185 PolarHBondContact O-N 2.95Å; D181-G185 PolarHBondContact O-N 3.35Å; G182-G185 PolarHBondContact O-N 3.33Å; P183-G185 VanDerWaalsContact C-N 3.28Å
186	Q	97.5	Very high	97.8	Very high	77 Å²	77	51.2 Å²	51.2	36%	0.36	28%	0.277	S	S	.	.			trans	-89.5	134.7	-171	-79.4	167.1	35.9	0	0	112.2	G182 P183 N184 D236 R237	G182-Q186 VanDerWaalsContact O-CG 3.25Å; G182-Q186 WeakPolarHBondContact O-CG 3.48Å; G182-Q186 PolarHBondContact O-N 3.33Å; G182-Q186 PolarHBondContact O-NE2 2.83Å; P183-Q186 PolarHBondContact O-N 3.34Å; N184-Q186 PolarHBondContact O-N 3.16Å; Q186-D236 CarbonylContact O-C 3.01Å; Q186-D236 VanDerWaalsContact O-CA 3.23Å; Q186-D236 WeakPolarHBondContact O-CA 3.43Å; Q186-R237 HydrophobicContact CB-CB 4.23Å; Q186-R237 HydrophobicContact CB-CG 4.06Å; Q186-R237 WeakPolarHBondContact O-CG 3.23Å; Q186-R237 PolarHBondContact O-N 3.25Å; Q186-R237 VanDerWaalsContact O-N 3.1Å
187	I	98.1	Very high	97.7	Very high	20 Å²	20	51 Å²	51	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.8	-175.4	-54.5	-54.5	0	0	0	112.9	P145 A176 D178 Y189 L210 A234 N235	P145-I187 HydrophobicContact CB-CD1 3.6Å; P145-I187 HydrophobicContact CG-CD1 3.57Å; A176-I187 HydrophobicContact CB-CG2 4.27Å; D178-I187 HydrophobicContact CB-CD1 3.77Å; I187-Y189 HydrophobicContact CB-CE2 4.39Å; I187-Y189 HydrophobicContact CG2-CD1 4.23Å; I187-Y189 HydrophobicContact CG2-CD2 4.09Å; I187-Y189 HydrophobicContact CG2-CE1 3.85Å; I187-Y189 HydrophobicContact CG2-CE2 3.69Å; I187-Y189 HydrophobicContact CG2-CG 4.34Å; I187-L210 WeakPolarHBondContact O-CD2 3.28Å; I187-A234 HydrophobicContact CG2-CB 3.82Å; I187-N235 WeakPolarHBondContact CA-O 3.12Å
188	E	98.1	Very high	97.7	Very high	34 Å²	34	51.5 Å²	51.5	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.6	163.3	-78.1	171.7	-179.2	0	0	109.8	M209 L210 A234 N235 R237 R244	E188-M209 HydrophobicContact CB-CB 4.16Å; E188-M209 HydrophobicContact CG-CB 4.18Å; E188-L210 HydrophobicContact CG-CD2 4.1Å; E188-A234 WeakPolarHBondContact O-CA 3.23Å; E188-N235 WeakPolarHBondContact CB-ND2 3.43Å; E188-N235 PolarHBondContact N-O 2.99Å; E188-N235 PolarHBondContact O-N 3.05Å; E188-N235 PolarHBondContact O-ND2 2.97Å; E188-R237 HydrophobicContact CG-CG 3.81Å; E188-R237 WeakPolarHBondContact OE1-CD 3.29Å; E188-R237 IonicContact OE1-CZ 3.22Å; E188-R237 IonicContact OE1-NE 2.75Å; E188-R237 PolarHBondContact OE1-NE 3.09Å; E188-R237 IonicContact OE1-NH2 2.75Å; E188-R244 IonicContact OE2-NH1 2.73Å; E188-R244 PolarHBondContact OE2-NH1 2.85Å
189	Y	98.6	Very high	97.6	Very high	12 Å²	12	53.6 Å²	53.6	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.9	175.9	-61.6	-81.8	0	0	0	111.5	F147 F170 A176 I187 M209 G212 I232 Q233 A234	F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.77Å; F147-Y189 HydrophobicContact CE1-CE1 3.77Å; F147-Y189 HydrophobicContact CZ-CD1 4.33Å; F147-Y189 HydrophobicContact CZ-CE1 4.11Å; F170-Y189 HydrophobicContact CB-CE1 4.46Å; F170-Y189 HydrophobicContact CB-CE2 4.37Å; F170-Y189 HydrophobicContact CD2-CD1 4.03Å; F170-Y189 HydrophobicContact CD2-CE1 4.03Å; F170-Y189 HydrophobicContact CD2-CG 4.33Å; F170-Y189 HydrophobicContact CE2-CD1 4.14Å; F170-Y189 HydrophobicContact CE2-CE1 4.4Å; F170-Y189 HydrophobicContact CG-CE1 4.14Å; A176-Y189 HydrophobicContact CB-CE1 3.96Å; A176-Y189 PolarHBondContact N-OH 3Å; A176-Y189 PolarHBondContact O-OH 3.1Å; I187-Y189 HydrophobicContact CB-CE2 4.39Å; I187-Y189 HydrophobicContact CG2-CD1 4.23Å; I187-Y189 HydrophobicContact CG2-CD2 4.09Å; I187-Y189 HydrophobicContact CG2-CE1 3.85Å; I187-Y189 HydrophobicContact CG2-CE2 3.69Å; I187-Y189 HydrophobicContact CG2-CG 4.34Å; Y189-M209 VanDerWaalsContact CD2-O 3.27Å; Y189-M209 WeakPolarHBondContact CD2-O 3.46Å; Y189-M209 PolarHBondContact N-O 2.88Å; Y189-G212 VanDerWaalsContact CD2-CA 3.41Å; Y189-I232 HydrophobicContact CD1-CG2 4.15Å; Y189-Q233 CarbonylContact C-O 3.56Å; Y189-Q233 WeakPolarHBondContact CA-O 3.38Å; Y189-A234 HydrophobicContact CD1-CB 4.13Å; Y189-A234 HydrophobicContact CE1-CB 4.05Å
190	V	98.2	Very high	97.6	Very high	42 Å²	42	50.1 Å²	50.1	26%	0.255	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.7	179.8	-177.8	0	0	0	0	109.8	M209 Q233	V190-M209 HydrophobicContact CG2-CE 4.38Å; V190-M209 HydrophobicContact CG2-SD 4.24Å; V190-Q233 PolarHBondContact N-O 2.87Å; V190-Q233 PolarHBondContact O-N 2.99Å
191	I	98.3	Very high	97.5	Very high	28 Å²	28	51.8 Å²	51.8	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.6	170.6	-65.5	179.3	0	0	0	109.1	N201 F204 I206 V214 V230 I231 I232	I191-N201 HydrophobicContact CG2-CB 3.82Å; I191-F204 HydrophobicContact CD1-CB 3.93Å; I191-I206 HydrophobicContact CD1-CD1 4.39Å; I191-I206 HydrophobicContact CD1-CG1 4.01Å; I191-I206 HydrophobicContact CG1-CD1 3.77Å; I191-I206 HydrophobicContact CG1-CG1 3.88Å; I191-V214 HydrophobicContact CD1-CG1 4.31Å; I191-V230 HydrophobicContact CB-CG1 4.46Å; I191-V230 HydrophobicContact CD1-CG1 3.8Å; I191-V230 HydrophobicContact CG1-CG1 3.93Å; I191-V230 HydrophobicContact CG2-CG1 3.74Å; I191-I231 WeakPolarHBondContact CA-O 3.21Å; I191-I232 HydrophobicContact CG1-CG1 4.32Å
192	Q	98.1	Very high	97.5	Very high	68 Å²	68	51 Å²	51	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.1	176.9	-68.6	-64.7	-23.1	0	0	111.1	N194 I231 Q233	Q192-N194 PolarHBondContact O-N 3.04Å; Q192-I231 HydrophobicContact CB-CB 4.22Å; Q192-I231 HydrophobicContact CB-CG2 3.94Å; Q192-I231 PolarHBondContact N-O 3Å; Q192-Q233 HydrophobicContact CG-CB 3.72Å
193	Y	98.1	Very high	97.6	Very high	129 Å²	129	49.9 Å²	49.9	51%	0.506	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-63.8	129.1	170.5	174.3	-104	0	0	0	110	P195 P198	Y193-P195 HydrophobicContact CD1-CG 4.2Å; Y193-P195 HydrophobicContact CE1-CB 4.21Å; Y193-P195 HydrophobicContact CE1-CG 3.98Å; Y193-P198 HydrophobicContact CE2-CB 3.81Å
194	N	98	Very high	97.7	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.043	25%	0.246	C	C	.	.			trans	-102.4	112.1	173.8	-174	-4.3	0	0	0	110.1	Q192 E196 D197 P198 Y229 I231	Q192-N194 PolarHBondContact O-N 3.04Å; N194-E196 PolarHBondContact O-N 2.83Å; N194-E196 WeakPolarHBondContact OD1-CB 3.48Å; N194-E196 PolarHBondContact OD1-N 3.24Å; N194-D197 HydrophobicContact CB-CB 4.37Å; N194-D197 CarbonylContact O-C 3.51Å; N194-D197 PolarHBondContact O-N 2.67Å; N194-D197 VanDerWaalsContact O-N 3.08Å; N194-P198 WeakPolarHBondContact O-CA 3.25Å; N194-P198 VanDerWaalsContact O-N 3.13Å; N194-Y229 WeakPolarHBondContact ND2-CB 3.48Å; N194-Y229 PolarHBondContact ND2-O 2.92Å; N194-I231 HydrophobicContact CB-CD1 3.76Å; N194-I231 HydrophobicContact CB-CG1 3.95Å
195	P	97.4	Very high	97.7	Very high	94 Å²	94	49 Å²	49	61%	0.61	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29	175.9	-23.4	34	0	0	0	113.9	Y193	Y193-P195 HydrophobicContact CD1-CG 4.2Å; Y193-P195 HydrophobicContact CE1-CB 4.21Å; Y193-P195 HydrophobicContact CE1-CG 3.98Å
196	E	97.2	Very high	97.8	Very high	175 Å²	175	49 Å²	49	82%	0.818	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.7	178.1	-58.4	-174.6	170.1	0	0	112.5	N194	N194-E196 PolarHBondContact O-N 2.83Å; N194-E196 WeakPolarHBondContact OD1-CB 3.48Å; N194-E196 PolarHBondContact OD1-N 3.24Å
197	D	97.1	Very high	97.8	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	26%	0.259	C	S	.	.			trans	-139.5	75.9	173.8	-168.7	1.1	0	0	0	111.9	N194 T199 S200 K225 Y228 Y229	N194-D197 HydrophobicContact CB-CB 4.37Å; N194-D197 CarbonylContact O-C 3.51Å; N194-D197 PolarHBondContact O-N 2.67Å; N194-D197 VanDerWaalsContact O-N 3.08Å; D197-T199 PolarHBondContact O-N 2.82Å; D197-T199 PolarHBondContact OD1-OG1 2.81Å; D197-S200 PolarHBondContact O-N 2.79Å; D197-S200 PolarHBondContact O-OG 3.21Å; D197-K225 VanDerWaalsContact OD1-CE 3.23Å; D197-K225 WeakPolarHBondContact OD1-CE 3.46Å; D197-K225 IonicContact OD1-NZ 3.21Å; D197-K225 PolarHBondContact OD1-NZ 2.92Å; D197-K225 WeakPolarHBondContact OD2-CE 3.5Å; D197-K225 IonicContact OD2-NZ 2.72Å; D197-K225 PolarHBondContact OD2-NZ 2.66Å; D197-Y228 WeakPolarHBondContact OD2-CA 3.38Å; D197-Y229 PolarHBondContact OD2-N 2.85Å
198	P	96.9	Very high	97.8	Very high	63 Å²	63	53.7 Å²	53.7	41%	0.409	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.2	-172.8	-27.6	37.4	0	0	0	115.3	Y193 N194 N201	Y193-P198 HydrophobicContact CE2-CB 3.81Å; N194-P198 WeakPolarHBondContact O-CA 3.25Å; N194-P198 VanDerWaalsContact O-N 3.13Å; P198-N201 PolarHBondContact O-OD1 3.28Å
199	T	97.1	Very high	97.7	Very high	64 Å²	64	56.4 Å²	56.4	39%	0.393	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-12.5	-178.9	63.4	0	0	0	0	112.9	D197 D202 T203 K225	D197-T199 PolarHBondContact O-N 2.82Å; D197-T199 PolarHBondContact OD1-OG1 2.81Å; T199-D202 WeakPolarHBondContact O-CB 3.26Å; T199-D202 PolarHBondContact O-N 3.18Å; T199-T203 WeakPolarHBondContact O-CB 3.33Å; T199-T203 PolarHBondContact O-N 3.36Å; T199-T203 PolarHBondContact O-OG1 3.04Å; T199-K225 WeakPolarHBondContact OG1-CE 3.3Å
200	S	97.6	Very high	97.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-44.6	-170.8	68.5	0	0	0	0	113.1	D197 D202 T203 F204 Y229	D197-S200 PolarHBondContact O-N 2.79Å; D197-S200 PolarHBondContact O-OG 3.21Å; S200-D202 PolarHBondContact O-N 2.91Å; S200-T203 PolarHBondContact O-N 2.91Å; S200-F204 WeakPolarHBondContact O-CD2 3.48Å; S200-F204 PolarHBondContact O-N 2.9Å; S200-Y229 WeakPolarHBondContact CB-O 3.47Å; S200-Y229 PolarHBondContact OG-O 3.34Å; S200-Y229 VanDerWaalsContact OG-O 3.04Å
201	N	96.4	Very high	97.6	Very high	43 Å²	43	61.8 Å²	61.8	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-17.7	176.4	69.9	-53.7	0	0	0	113.8	I191 P198	I191-N201 HydrophobicContact CG2-CB 3.82Å; P198-N201 PolarHBondContact O-OD1 3.28Å
202	D	97.3	Very high	97.5	Very high	68 Å²	68	60.4 Å²	60.4	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-89.2	-29.6	177.7	-108.4	26.6	0	0	0	112.2	T199 S200 K218	T199-D202 WeakPolarHBondContact O-CB 3.26Å; T199-D202 PolarHBondContact O-N 3.18Å; S200-D202 PolarHBondContact O-N 2.91Å; D202-K218 WeakPolarHBondContact O-CD 3.39Å; D202-K218 VanDerWaalsContact O-CE 3.31Å; D202-K218 WeakPolarHBondContact O-CE 3.41Å; D202-K218 WeakPolarHBondContact O-CG 3.42Å; D202-K218 IonicContact OD2-NZ 3.63Å; D202-K218 PolarHBondContact OD2-NZ 2.97Å
203	T	98.2	Very high	97.5	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-89.1	-28.5	-178.1	-61.3	0	0	0	0	112.8	T199 S200 L216 R217 K218 L220 Y228	T199-T203 WeakPolarHBondContact O-CB 3.33Å; T199-T203 PolarHBondContact O-N 3.36Å; T199-T203 PolarHBondContact O-OG1 3.04Å; S200-T203 PolarHBondContact O-N 2.91Å; T203-L216 HydrophobicContact CG2-CD1 4.12Å; T203-R217 WeakPolarHBondContact O-CA 3.23Å; T203-R217 WeakPolarHBondContact O-CB 3.25Å; T203-R217 PolarHBondContact O-N 2.98Å; T203-K218 HydrophobicContact CG2-CB 4.42Å; T203-K218 PolarHBondContact O-N 2.85Å; T203-L220 HydrophobicContact CG2-CD2 3.61Å; T203-Y228 HydrophobicContact CG2-CE1 4.05Å
204	F	98.6	Very high	97.6	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.3	-180	-56.9	-77.3	0	0	0	111.4	I166 I191 S200 V214 V215 L216 Y228 V230 V253	I166-F204 HydrophobicContact CD1-CD1 4.05Å; I166-F204 HydrophobicContact CD1-CE1 4.02Å; I166-F204 HydrophobicContact CG1-CD1 4.12Å; I166-F204 HydrophobicContact CG1-CE1 4.15Å; I191-F204 HydrophobicContact CD1-CB 3.93Å; S200-F204 WeakPolarHBondContact O-CD2 3.48Å; S200-F204 PolarHBondContact O-N 2.9Å; F204-V214 HydrophobicContact CB-CG1 3.76Å; F204-V214 HydrophobicContact CD1-CG1 4.14Å; F204-V214 HydrophobicContact CG-CG1 4.24Å; F204-V215 WeakPolarHBondContact CA-O 3.44Å; F204-L216 HydrophobicContact CD1-CD1 4.14Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; F204-L216 HydrophobicContact CZ-CD1 4.47Å; F204-Y228 AromaticContact CE2-CD1 3.91Å; F204-Y228 HydrophobicContact CE2-CD1 3.91Å; F204-Y228 AromaticContact CE2-CD2 3.95Å; F204-Y228 HydrophobicContact CE2-CD2 3.95Å; F204-Y228 AromaticContact CE2-CG 3.58Å; F204-Y228 HydrophobicContact CE2-CG 3.58Å; F204-Y228 HydrophobicContact CZ-CD2 4.1Å; F204-Y228 HydrophobicContact CZ-CG 4.2Å; F204-V230 HydrophobicContact CD2-CG2 3.5Å; F204-V230 HydrophobicContact CE2-CG2 3.98Å; F204-V230 HydrophobicContact CG-CG2 4.18Å; F204-V253 HydrophobicContact CE1-CG1 4.11Å; F204-V253 HydrophobicContact CE2-CB 4.42Å; F204-V253 HydrophobicContact CE2-CG2 4.43Å; F204-V253 HydrophobicContact CZ-CB 4.04Å; F204-V253 HydrophobicContact CZ-CG1 3.73Å; F204-V253 HydrophobicContact CZ-CG2 4.22Å
205	E	98.2	Very high	97.6	Very high	72 Å²	72	53.2 Å²	53.2	34%	0.336	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.5	174.7	65.8	-177.3	-168.4	0	0	112.2	V214 V215 R217	E205-V214 WeakPolarHBondContact O-CA 3.27Å; E205-V215 HydrophobicContact CG-CB 4.3Å; E205-V215 PolarHBondContact N-O 2.86Å; E205-V215 PolarHBondContact O-N 3.18Å; E205-R217 HydrophobicContact CB-CB 4.47Å; E205-R217 HydrophobicContact CG-CB 4.12Å; E205-R217 HydrophobicContact CG-CG 4.41Å; E205-R217 VanDerWaalsContact OE2-CD 3.25Å; E205-R217 WeakPolarHBondContact OE2-CD 3.4Å; E205-R217 IonicContact OE2-NE 3.69Å; E205-R217 PolarHBondContact OE2-NE 3.08Å
206	I	98.5	Very high	97.6	Very high	20 Å²	20	48.8 Å²	48.8	10%	0.103	26%	0.262	C	S	.	.			trans	-114.7	97.6	169.4	-64.8	172.6	0	0	0	106.9	I191 L208 V214 I232	I191-I206 HydrophobicContact CD1-CD1 4.39Å; I191-I206 HydrophobicContact CD1-CG1 4.01Å; I191-I206 HydrophobicContact CG1-CD1 3.77Å; I191-I206 HydrophobicContact CG1-CG1 3.88Å; I206-L208 VanDerWaalsContact C-N 3.32Å; I206-L208 WeakPolarHBondContact CG2-O 3.37Å; I206-V214 HydrophobicContact CD1-CG2 4.26Å; I206-V214 HydrophobicContact CG1-CG2 3.99Å; I206-I232 HydrophobicContact CD1-CG2 4.13Å
207	P	97.8	Very high	97.7	Very high	80 Å²	80	46.3 Å²	46.3	52%	0.519	25%	0.246	S	C	.	.	S	Bend	trans	-72.7	-26.4	-177.9	27.3	-33.4	0	0	0	112.8	V215	P207-V215 HydrophobicContact CG-CB 4.38Å; P207-V215 HydrophobicContact CG-CG2 3.72Å
208	L	97.2	Very high	97.7	Very high	114 Å²	114	50.5 Å²	50.5	60%	0.597	26%	0.264	S	S	*	.			trans	-119.8	98.7	177.1	-67.8	176.3	0	0	0	109.7	I206 L210 T211 G212	I206-L208 VanDerWaalsContact C-N 3.32Å; I206-L208 WeakPolarHBondContact CG2-O 3.37Å; L208-L210 PolarHBondContact O-N 2.75Å; L208-T211 HydrophobicContact CB-CG2 4.36Å; L208-T211 PolarHBondContact O-N 2.88Å; L208-T211 VanDerWaalsContact O-N 3.14Å; L208-T211 PolarHBondContact O-OG1 2.81Å; L208-T211 VanDerWaalsContact O-OG1 3.13Å; L208-G212 PolarHBondContact O-N 3.05Å
209	M	97.4	Very high	97.8	Very high	91 Å²	91	57.8 Å²	57.8	45%	0.448	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29	-175.4	-62	178.5	179.2	0	0	113.3	E188 Y189 V190	E188-M209 HydrophobicContact CB-CB 4.16Å; E188-M209 HydrophobicContact CG-CB 4.18Å; Y189-M209 VanDerWaalsContact CD2-O 3.27Å; Y189-M209 WeakPolarHBondContact CD2-O 3.46Å; Y189-M209 PolarHBondContact N-O 2.88Å; V190-M209 HydrophobicContact CG2-CE 4.38Å; V190-M209 HydrophobicContact CG2-SD 4.24Å
210	L	96.8	Very high	97.8	Very high	113 Å²	113	55.4 Å²	55.4	59%	0.592	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.6	-179.9	-62.5	178.3	0	0	0	113.9	I187 E188 L208	I187-L210 WeakPolarHBondContact O-CD2 3.28Å; E188-L210 HydrophobicContact CG-CD2 4.1Å; L208-L210 PolarHBondContact O-N 2.75Å
211	T	97	Very high	97.8	Very high	54 Å²	54	57.8 Å²	57.8	33%	0.331	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-28.5	178.8	65.3	0	0	0	0	112	L208 N213	L208-T211 HydrophobicContact CB-CG2 4.36Å; L208-T211 PolarHBondContact O-N 2.88Å; L208-T211 VanDerWaalsContact O-N 3.14Å; L208-T211 PolarHBondContact O-OG1 2.81Å; L208-T211 VanDerWaalsContact O-OG1 3.13Å; T211-N213 PolarHBondContact O-N 2.93Å; T211-N213 PolarHBondContact OG1-N 2.87Å
212	G	97.4	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	15.9	-174.8	0	0	0	0	0	113.7	F170 Y189 L208 V214	F170-G212 VanDerWaalsContact CD2-O 3.27Å; F170-G212 WeakPolarHBondContact CD2-O 3.28Å; Y189-G212 VanDerWaalsContact CD2-CA 3.41Å; L208-G212 PolarHBondContact O-N 3.05Å; G212-V214 PolarHBondContact O-N 3.14Å
213	N	98.2	Very high	97.8	Very high	43 Å²	43	59.8 Å²	59.8	23%	0.23	28%	0.283	C	S	.	.			trans	-66.2	123.1	176.3	-71.8	-12.4	0	0	0	109.8	T165 F167 T211	T165-N213 HydrophobicContact CG2-CB 4.01Å; F167-N213 WeakPolarHBondContact O-CA 3.37Å; T211-N213 PolarHBondContact O-N 2.93Å; T211-N213 PolarHBondContact OG1-N 2.87Å
214	V	98.5	Very high	97.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.9	179.7	-175.3	0	0	0	0	109.2	I166 F167 I191 F204 E205 I206 G212 I232 L251	I166-V214 HydrophobicContact CD1-CB 4.13Å; I166-V214 HydrophobicContact CD1-CG1 3.88Å; I166-V214 HydrophobicContact CG1-CG1 4.27Å; I166-V214 PolarHBondContact N-O 2.77Å; F167-V214 HydrophobicContact CB-CB 4.11Å; F167-V214 HydrophobicContact CB-CG2 4.42Å; F167-V214 HydrophobicContact CD1-CG2 4.02Å; F167-V214 PolarHBondContact N-O 2.69Å; F167-V214 PolarHBondContact O-N 3.21Å; I191-V214 HydrophobicContact CD1-CG1 4.31Å; F204-V214 HydrophobicContact CB-CG1 3.76Å; F204-V214 HydrophobicContact CD1-CG1 4.14Å; F204-V214 HydrophobicContact CG-CG1 4.24Å; E205-V214 WeakPolarHBondContact O-CA 3.27Å; I206-V214 HydrophobicContact CD1-CG2 4.26Å; I206-V214 HydrophobicContact CG1-CG2 3.99Å; G212-V214 PolarHBondContact O-N 3.14Å; V214-I232 HydrophobicContact CG2-CD1 3.99Å; V214-L251 HydrophobicContact CB-CD2 4.42Å; V214-L251 HydrophobicContact CG2-CD2 3.88Å
215	V	98.5	Very high	97.6	Very high	11 Å²	11	67 Å²	67	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.6	-177.9	177.6	0	0	0	0	109.6	T164 F204 E205 P207 R217	T164-V215 WeakPolarHBondContact O-CA 3.27Å; F204-V215 WeakPolarHBondContact CA-O 3.44Å; E205-V215 HydrophobicContact CG-CB 4.3Å; E205-V215 PolarHBondContact N-O 2.86Å; E205-V215 PolarHBondContact O-N 3.18Å; P207-V215 HydrophobicContact CG-CB 4.38Å; P207-V215 HydrophobicContact CG-CG2 3.72Å; V215-R217 PolarHBondContact O-N 3.15Å
216	L	98.6	Very high	97.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.4	174.8	-175.1	65.7	0	0	0	110.6	T160 G163 T164 I166 T203 F204 K218 L220	T160-L216 HydrophobicContact CG2-CD2 4Å; T160-L216 WeakPolarHBondContact O-CD2 3.25Å; G163-L216 PolarHBondContact N-O 2.76Å; T164-L216 PolarHBondContact O-N 3.09Å; I166-L216 HydrophobicContact CG2-CB 4.02Å; T203-L216 HydrophobicContact CG2-CD1 4.12Å; F204-L216 HydrophobicContact CD1-CD1 4.14Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; F204-L216 HydrophobicContact CZ-CD1 4.47Å; L216-K218 WeakPolarHBondContact CD1-O 3.47Å; L216-K218 VanDerWaalsContact CG-O 3.27Å; L216-K218 WeakPolarHBondContact CG-O 3.45Å; L216-L220 HydrophobicContact CD1-CD1 3.94Å; L216-L220 HydrophobicContact CD1-CD2 3.82Å; L216-L220 HydrophobicContact CD1-CG 3.79Å; L216-L220 HydrophobicContact CD2-CD1 4.17Å; L216-L220 HydrophobicContact CD2-CG 4.19Å
217	R	98.3	Very high	97.6	Very high	123 Å²	123	71 Å²	71	46%	0.464	34%	0.337	S	S	.	.			trans	-98.9	-32.3	-176.9	-170.9	-178.5	179	-168.9	-1.6	113.6	V162 T203 E205 V215	V162-R217 WeakPolarHBondContact CG1-O 3.48Å; T203-R217 WeakPolarHBondContact O-CA 3.23Å; T203-R217 WeakPolarHBondContact O-CB 3.25Å; T203-R217 PolarHBondContact O-N 2.98Å; E205-R217 HydrophobicContact CB-CB 4.47Å; E205-R217 HydrophobicContact CG-CB 4.12Å; E205-R217 HydrophobicContact CG-CG 4.41Å; E205-R217 VanDerWaalsContact OE2-CD 3.25Å; E205-R217 WeakPolarHBondContact OE2-CD 3.4Å; E205-R217 IonicContact OE2-NE 3.69Å; E205-R217 PolarHBondContact OE2-NE 3.08Å; V215-R217 PolarHBondContact O-N 3.15Å
218	K	98	Very high	97.6	Very high	92 Å²	92	68 Å²	68	40%	0.4	32%	0.315	S	S	.	.	S	Bend	trans	-120.3	152	175.7	-69.2	-178.7	-176.5	175.2	0	110.7	D202 T203 L216	D202-K218 WeakPolarHBondContact O-CD 3.39Å; D202-K218 VanDerWaalsContact O-CE 3.31Å; D202-K218 WeakPolarHBondContact O-CE 3.41Å; D202-K218 WeakPolarHBondContact O-CG 3.42Å; D202-K218 IonicContact OD2-NZ 3.63Å; D202-K218 PolarHBondContact OD2-NZ 2.97Å; T203-K218 HydrophobicContact CG2-CB 4.42Å; T203-K218 PolarHBondContact O-N 2.85Å; L216-K218 WeakPolarHBondContact CD1-O 3.47Å; L216-K218 VanDerWaalsContact CG-O 3.27Å; L216-K218 WeakPolarHBondContact CG-O 3.45Å
219	R	97.6	Very high	97.7	Very high	217 Å²	217	67 Å²	67	82%	0.819	30%	0.304	S	S	*	.			trans	-64.5	143.5	172.7	-71.4	-174.4	-179.5	173.7	-0.7	109.7	V162	V162-R219 HydrophobicContact CG2-CB 4.47Å; V162-R219 HydrophobicContact CG2-CG 3.67Å
220	L	98.1	Very high	97.8	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.073	28%	0.283	C	S	.	.			trans	-94	160.3	177.5	-58.4	174.5	0	0	0	109.4	V156 E158 T203 L216 Y228 V255	V156-L220 HydrophobicContact CB-CD1 4.18Å; V156-L220 HydrophobicContact CG1-CD1 3.41Å; V156-L220 VanDerWaalsContact CG1-CD1 3.41Å; V156-L220 HydrophobicContact CG2-CD1 3.66Å; E158-L220 HydrophobicContact CB-CB 4.09Å; T203-L220 HydrophobicContact CG2-CD2 3.61Å; L216-L220 HydrophobicContact CD1-CD1 3.94Å; L216-L220 HydrophobicContact CD1-CD2 3.82Å; L216-L220 HydrophobicContact CD1-CG 3.79Å; L216-L220 HydrophobicContact CD2-CD1 4.17Å; L216-L220 HydrophobicContact CD2-CG 4.19Å; L220-Y228 HydrophobicContact CD2-CE2 3.9Å; L220-V255 HydrophobicContact CB-CG1 4.24Å; L220-V255 HydrophobicContact CD1-CG1 4.25Å; L220-V255 HydrophobicContact CD1-CG2 4.2Å; L220-V255 HydrophobicContact CD2-CG2 4.42Å
221	N	97.2	Very high	97.8	Very high	50 Å²	50	59 Å²	59	27%	0.267	26%	0.264	S	S	.	.			trans	-148.6	112.5	174.1	-179.8	-12	0	0	0	106.9	E158 E223 D224 K225	E158-N221 WeakPolarHBondContact OE2-CA 3.48Å; N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.4Å; N221-E223 WeakPolarHBondContact OD1-CB 3.47Å; N221-E223 PolarHBondContact OD1-N 3.04Å; N221-E223 VanDerWaalsContact OD1-N 3.13Å; N221-E223 PolarHBondContact OD1-OE2 2.9Å; N221-D224 HydrophobicContact CB-CB 4.07Å; N221-D224 PolarHBondContact ND2-OD2 2.67Å; N221-D224 PolarHBondContact O-N 3.03Å; N221-D224 VanDerWaalsContact O-N 3.12Å; N221-K225 PolarHBondContact O-N 2.87Å; N221-K225 VanDerWaalsContact O-N 3.1Å
222	Y	97.7	Very high	97.9	Very high	80 Å²	80	56.4 Å²	56.4	31%	0.314	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.3	-175.6	-176.8	-96.9	0	0	0	111.1	E158 D224 T226 V255 D257	E158-Y222 VanDerWaalsContact OE1-CB 3.28Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.47Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.39Å; E158-Y222 PolarHBondContact OE2-N 3.25Å; Y222-D224 PolarHBondContact O-N 2.86Å; Y222-T226 HydrophobicContact CD1-CG2 4.38Å; Y222-T226 HydrophobicContact CD2-CG2 3.74Å; Y222-T226 HydrophobicContact CE1-CG2 4.19Å; Y222-T226 HydrophobicContact CE2-CG2 3.53Å; Y222-T226 HydrophobicContact CG-CG2 4.16Å; Y222-T226 VanDerWaalsContact O-CG2 3.25Å; Y222-T226 WeakPolarHBondContact O-CG2 3.4Å; Y222-V255 HydrophobicContact CD2-CB 4.32Å; Y222-V255 HydrophobicContact CD2-CG1 4.2Å; Y222-V255 WeakPolarHBondContact CD2-O 3.49Å; Y222-V255 VanDerWaalsContact CE2-O 3.23Å; Y222-V255 WeakPolarHBondContact CE2-O 3.36Å; Y222-D257 HydrophobicContact CD1-CB 3.76Å; Y222-D257 HydrophobicContact CD2-CB 3.96Å; Y222-D257 HydrophobicContact CE1-CB 3.79Å; Y222-D257 HydrophobicContact CE2-CB 3.97Å; Y222-D257 HydrophobicContact CG-CB 3.86Å
223	E	96.4	Very high	98	Very high	72 Å²	72	58.5 Å²	58.5	34%	0.336	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.1	176.8	-70.8	63	-139.5	0	0	113.4	N221 L261	N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.4Å; N221-E223 WeakPolarHBondContact OD1-CB 3.47Å; N221-E223 PolarHBondContact OD1-N 3.04Å; N221-E223 VanDerWaalsContact OD1-N 3.13Å; N221-E223 PolarHBondContact OD1-OE2 2.9Å; E223-L261 HydrophobicContact CG-CD1 4.19Å
224	D	95.6	Very high	98	Very high	100 Å²	100	56.4 Å²	56.4	54%	0.535	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-48	179.7	-69.6	-19.3	0	0	0	112.7	N221 Y222 R275	N221-D224 HydrophobicContact CB-CB 4.07Å; N221-D224 PolarHBondContact ND2-OD2 2.67Å; N221-D224 PolarHBondContact O-N 3.03Å; N221-D224 VanDerWaalsContact O-N 3.12Å; Y222-D224 PolarHBondContact O-N 2.86Å; D224-R275 IonicContact OD1-CZ 2.75Å; D224-R275 IonicContact OD1-NH1 3.05Å; D224-R275 PolarHBondContact OD1-NH1 3.36Å; D224-R275 IonicContact OD1-NH2 2.88Å; D224-R275 PolarHBondContact OD1-NH2 3.02Å
225	K	97.3	Very high	97.9	Very high	61 Å²	61	57.1 Å²	57.1	27%	0.265	25%	0.251	S	S	.	.			trans	-155.9	120.5	-177.3	-175.1	169.7	163.3	82.3	0	111.4	D197 T199 N221 R227 Y228 V255	D197-K225 VanDerWaalsContact OD1-CE 3.23Å; D197-K225 WeakPolarHBondContact OD1-CE 3.46Å; D197-K225 IonicContact OD1-NZ 3.21Å; D197-K225 PolarHBondContact OD1-NZ 2.92Å; D197-K225 WeakPolarHBondContact OD2-CE 3.5Å; D197-K225 IonicContact OD2-NZ 2.72Å; D197-K225 PolarHBondContact OD2-NZ 2.66Å; T199-K225 WeakPolarHBondContact OG1-CE 3.3Å; N221-K225 PolarHBondContact O-N 2.87Å; N221-K225 VanDerWaalsContact O-N 3.1Å; K225-R227 WeakPolarHBondContact CE-O 3.39Å; K225-R227 PolarHBondContact NZ-O 2.96Å; K225-Y228 HydrophobicContact CB-CE2 4.48Å; K225-Y228 HydrophobicContact CD-CD1 4.02Å; K225-Y228 HydrophobicContact CD-CE1 3.54Å; K225-Y228 HydrophobicContact CD-CE2 4.21Å; K225-Y228 HydrophobicContact CG-CE1 4.31Å; K225-Y228 HydrophobicContact CG-CE2 4.08Å; K225-V255 WeakPolarHBondContact O-CG2 3.5Å
226	T	97.9	Very high	97.9	Very high	67 Å²	67	56.6 Å²	56.6	41%	0.411	25%	0.247	S	C	.	.	S	Bend	trans	-97.8	-11.9	-175.2	58	0	0	0	0	114.5	Y222 D254 V255	Y222-T226 HydrophobicContact CD1-CG2 4.38Å; Y222-T226 HydrophobicContact CD2-CG2 3.74Å; Y222-T226 HydrophobicContact CE1-CG2 4.19Å; Y222-T226 HydrophobicContact CE2-CG2 3.53Å; Y222-T226 HydrophobicContact CG-CG2 4.16Å; Y222-T226 VanDerWaalsContact O-CG2 3.25Å; Y222-T226 WeakPolarHBondContact O-CG2 3.4Å; T226-D254 WeakPolarHBondContact O-CA 3.5Å; T226-V255 PolarHBondContact O-N 2.95Å
227	R	98.4	Very high	97.8	Very high	108 Å²	108	60.6 Å²	60.6	41%	0.408	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.6	-177.3	179.8	168.1	-69.9	174.2	-4.3	112.2	K225 Y229 T252 V253 D254	K225-R227 WeakPolarHBondContact CE-O 3.39Å; K225-R227 PolarHBondContact NZ-O 2.96Å; R227-Y229 VanDerWaalsContact CD-OH 3.25Å; R227-Y229 WeakPolarHBondContact CD-OH 3.41Å; R227-Y229 HydrophobicContact CG-CE1 4.34Å; R227-Y229 HydrophobicContact CG-CE2 4.29Å; R227-T252 HydrophobicContact CG-CG2 4.21Å; R227-V253 WeakPolarHBondContact CA-O 3.28Å; R227-D254 IonicContact CZ-OD1 3.33Å; R227-D254 VanDerWaalsContact CZ-OD1 3.28Å; R227-D254 IonicContact CZ-OD2 3.46Å; R227-D254 IonicContact NE-OD1 2.81Å; R227-D254 PolarHBondContact NE-OD1 3.29Å; R227-D254 IonicContact NE-OD2 3.76Å; R227-D254 IonicContact NH2-OD1 2.75Å; R227-D254 PolarHBondContact NH2-OD1 2.98Å; R227-D254 IonicContact NH2-OD2 3.13Å; R227-D254 PolarHBondContact NH2-OD2 3.32Å
228	Y	98.6	Very high	97.8	Very high	17 Å²	17	54.8 Å²	54.8	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.4	173.5	-64.7	-97.9	0	0	0	111.9	D197 T203 F204 L220 K225 V253 V255	D197-Y228 WeakPolarHBondContact OD2-CA 3.38Å; T203-Y228 HydrophobicContact CG2-CE1 4.05Å; F204-Y228 AromaticContact CE2-CD1 3.91Å; F204-Y228 HydrophobicContact CE2-CD1 3.91Å; F204-Y228 AromaticContact CE2-CD2 3.95Å; F204-Y228 HydrophobicContact CE2-CD2 3.95Å; F204-Y228 AromaticContact CE2-CG 3.58Å; F204-Y228 HydrophobicContact CE2-CG 3.58Å; F204-Y228 HydrophobicContact CZ-CD2 4.1Å; F204-Y228 HydrophobicContact CZ-CG 4.2Å; L220-Y228 HydrophobicContact CD2-CE2 3.9Å; K225-Y228 HydrophobicContact CB-CE2 4.48Å; K225-Y228 HydrophobicContact CD-CD1 4.02Å; K225-Y228 HydrophobicContact CD-CE1 3.54Å; K225-Y228 HydrophobicContact CD-CE2 4.21Å; K225-Y228 HydrophobicContact CG-CE1 4.31Å; K225-Y228 HydrophobicContact CG-CE2 4.08Å; Y228-V253 PolarHBondContact N-O 3.26Å; Y228-V253 PolarHBondContact O-N 3.13Å; Y228-V255 HydrophobicContact CD2-CG2 4.1Å; Y228-V255 HydrophobicContact CE2-CG2 3.78Å
229	Y	98.6	Very high	97.7	Very high	93 Å²	93	59.6 Å²	59.6	37%	0.365	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	101.6	171.5	-60.6	-71.6	0	0	0	109.6	N194 D197 S200 R227 T250 T252	N194-Y229 WeakPolarHBondContact ND2-CB 3.48Å; N194-Y229 PolarHBondContact ND2-O 2.92Å; D197-Y229 PolarHBondContact OD2-N 2.85Å; S200-Y229 WeakPolarHBondContact CB-O 3.47Å; S200-Y229 PolarHBondContact OG-O 3.34Å; S200-Y229 VanDerWaalsContact OG-O 3.04Å; R227-Y229 VanDerWaalsContact CD-OH 3.25Å; R227-Y229 WeakPolarHBondContact CD-OH 3.41Å; R227-Y229 HydrophobicContact CG-CE1 4.34Å; R227-Y229 HydrophobicContact CG-CE2 4.29Å; Y229-T250 HydrophobicContact CD1-CG2 4.24Å; Y229-T252 HydrophobicContact CD1-CG2 4.29Å; Y229-T252 HydrophobicContact CE1-CG2 4.02Å
230	V	98.5	Very high	97.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116	-177.7	-172.4	0	0	0	0	108.6	I191 F204 I232 T250 L251 V253	I191-V230 HydrophobicContact CB-CG1 4.46Å; I191-V230 HydrophobicContact CD1-CG1 3.8Å; I191-V230 HydrophobicContact CG1-CG1 3.93Å; I191-V230 HydrophobicContact CG2-CG1 3.74Å; F204-V230 HydrophobicContact CD2-CG2 3.5Å; F204-V230 HydrophobicContact CE2-CG2 3.98Å; F204-V230 HydrophobicContact CG-CG2 4.18Å; V230-I232 HydrophobicContact CG1-CD1 4.38Å; V230-I232 HydrophobicContact CG1-CG1 3.99Å; V230-T250 WeakPolarHBondContact O-CA 3.22Å; V230-L251 HydrophobicContact CB-CB 4.25Å; V230-L251 PolarHBondContact N-O 3.47Å; V230-L251 PolarHBondContact O-N 2.75Å; V230-V253 HydrophobicContact CG2-CG2 4.14Å
231	I	98.4	Very high	97.4	Very high	37 Å²	37	57.8 Å²	57.8	19%	0.19	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.5	173	-60.8	177.5	0	0	0	107.9	I191 Q192 N194 T248	I191-I231 WeakPolarHBondContact CA-O 3.21Å; Q192-I231 HydrophobicContact CB-CB 4.22Å; Q192-I231 HydrophobicContact CB-CG2 3.94Å; Q192-I231 PolarHBondContact N-O 3Å; N194-I231 HydrophobicContact CB-CD1 3.76Å; N194-I231 HydrophobicContact CB-CG1 3.95Å; I231-T248 HydrophobicContact CG2-CG2 4.3Å
232	I	98.4	Very high	97.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.2	179	-59.6	176	0	0	0	107.9	F170 Y189 I191 I206 V214 V230 T248 T249 L251	F170-I232 HydrophobicContact CE2-CD1 3.71Å; F170-I232 HydrophobicContact CE2-CG2 3.85Å; F170-I232 HydrophobicContact CZ-CB 4.35Å; F170-I232 HydrophobicContact CZ-CD1 3.64Å; F170-I232 HydrophobicContact CZ-CG2 4Å; Y189-I232 HydrophobicContact CD1-CG2 4.15Å; I191-I232 HydrophobicContact CG1-CG1 4.32Å; I206-I232 HydrophobicContact CD1-CG2 4.13Å; V214-I232 HydrophobicContact CG2-CD1 3.99Å; V230-I232 HydrophobicContact CG1-CD1 4.38Å; V230-I232 HydrophobicContact CG1-CG1 3.99Å; I232-T248 CarbonylContact O-C 3.58Å; I232-T248 VanDerWaalsContact O-CA 3.29Å; I232-T248 WeakPolarHBondContact O-CA 3.2Å; I232-T249 HydrophobicContact CB-CG2 4.25Å; I232-T249 PolarHBondContact N-O 2.75Å; I232-T249 PolarHBondContact O-N 3.43Å; I232-L251 HydrophobicContact CD1-CB 3.74Å; I232-L251 HydrophobicContact CD1-CD2 3.91Å; I232-L251 HydrophobicContact CD1-CG 4.48Å
233	Q	98.4	Very high	97.2	Very high	43 Å²	43	62.1 Å²	62.1	20%	0.201	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.5	174.5	-176.1	179.5	58.2	0	0	109.5	Y189 V190 Q192 T246 T247 T248	Y189-Q233 CarbonylContact C-O 3.56Å; Y189-Q233 WeakPolarHBondContact CA-O 3.38Å; V190-Q233 PolarHBondContact N-O 2.87Å; V190-Q233 PolarHBondContact O-N 2.99Å; Q192-Q233 HydrophobicContact CG-CB 3.72Å; Q233-T246 HydrophobicContact CG-CG2 4.24Å; Q233-T247 CarbonylContact C-O 3.56Å; Q233-T247 WeakPolarHBondContact CA-O 3.43Å; Q233-T248 HydrophobicContact CB-CG2 4.02Å; Q233-T248 HydrophobicContact CG-CG2 4.14Å
234	A	98.4	Very high	97.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.5	162.7	0	0	0	0	0	108.1	P145 F147 A176 I187 E188 Y189 T246 T247	P145-A234 HydrophobicContact CB-CB 4.06Å; F147-A234 HydrophobicContact CE1-CB 4.45Å; F147-A234 HydrophobicContact CE2-CB 3.8Å; F147-A234 HydrophobicContact CZ-CB 3.62Å; A176-A234 HydrophobicContact CB-CB 3.51Å; I187-A234 HydrophobicContact CG2-CB 3.82Å; E188-A234 WeakPolarHBondContact O-CA 3.23Å; Y189-A234 HydrophobicContact CD1-CB 4.13Å; Y189-A234 HydrophobicContact CE1-CB 4.05Å; A234-T246 CarbonylContact O-C 3.6Å; A234-T246 VanDerWaalsContact O-CA 3.25Å; A234-T246 WeakPolarHBondContact O-CA 3.28Å; A234-T247 PolarHBondContact N-O 3.48Å; A234-T247 PolarHBondContact O-N 2.77Å
235	N	97.6	Very high	97.3	Very high	15 Å²	15	61.6 Å²	61.6	8%	0.08	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.1	172.2	72.3	113.8	0	0	0	109.8	I187 E188 R244 R245 T246	I187-N235 WeakPolarHBondContact CA-O 3.12Å; E188-N235 WeakPolarHBondContact CB-ND2 3.43Å; E188-N235 PolarHBondContact N-O 2.99Å; E188-N235 PolarHBondContact O-N 3.05Å; E188-N235 PolarHBondContact O-ND2 2.97Å; N235-R244 PolarHBondContact OD1-NH1 2.75Å; N235-R245 WeakPolarHBondContact CA-O 3.31Å; N235-T246 HydrophobicContact CB-CG2 3.83Å
236	D	98	Very high	97.4	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	172.4	168.2	67	52.1	0	0	0	111.4	N141 P145 N184 Q186 A238 R244 R245	N141-D236 VanDerWaalsContact ND2-CG 3.34Å; N141-D236 PolarHBondContact ND2-OD2 3.29Å; N141-D236 PolarHBondContact OD1-OD2 2.92Å; P145-D236 HydrophobicContact CG-CB 4.27Å; N184-D236 WeakPolarHBondContact O-CB 3.25Å; Q186-D236 CarbonylContact O-C 3.01Å; Q186-D236 VanDerWaalsContact O-CA 3.23Å; Q186-D236 WeakPolarHBondContact O-CA 3.43Å; D236-A238 VanDerWaalsContact OD1-CB 3.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.23Å; D236-A238 PolarHBondContact OD1-N 3.04Å; D236-R244 WeakPolarHBondContact O-CD 3.45Å; D236-R244 VanDerWaalsContact OD1-CA 3.28Å; D236-R244 WeakPolarHBondContact OD1-CA 3.43Å; D236-R244 WeakPolarHBondContact OD1-CG 3.43Å; D236-R245 PolarHBondContact N-O 3.1Å; D236-R245 VanDerWaalsContact N-O 3.16Å; D236-R245 WeakPolarHBondContact OD2-CA 3.42Å; D236-R245 VanDerWaalsContact OD2-CB 3.24Å; D236-R245 WeakPolarHBondContact OD2-CB 3.33Å; D236-R245 PolarHBondContact OD2-N 3.16Å
237	R	97.3	Very high	97.4	Very high	84 Å²	84	61 Å²	61	32%	0.317	29%	0.286	S	S	.	.			trans	-110.7	35.3	179	-58.3	176.5	79.1	-135.7	-6.7	112.1	P183 Q186 E188 Q239	P183-R237 HydrophobicContact CB-CB 4.33Å; P183-R237 VanDerWaalsContact CB-O 3.29Å; P183-R237 WeakPolarHBondContact CB-O 3.28Å; P183-R237 CarbonylContact O-C 3.56Å; P183-R237 VanDerWaalsContact O-CA 3.25Å; P183-R237 WeakPolarHBondContact O-CA 3.36Å; P183-R237 VanDerWaalsContact O-CB 3.26Å; P183-R237 WeakPolarHBondContact O-CB 3.48Å; P183-R237 PolarHBondContact O-N 2.98Å; Q186-R237 HydrophobicContact CB-CB 4.23Å; Q186-R237 HydrophobicContact CB-CG 4.06Å; Q186-R237 WeakPolarHBondContact O-CG 3.23Å; Q186-R237 PolarHBondContact O-N 3.25Å; Q186-R237 VanDerWaalsContact O-N 3.1Å; E188-R237 HydrophobicContact CG-CG 3.81Å; E188-R237 WeakPolarHBondContact OE1-CD 3.29Å; E188-R237 IonicContact OE1-CZ 3.22Å; E188-R237 IonicContact OE1-NE 2.75Å; E188-R237 PolarHBondContact OE1-NE 3.09Å; E188-R237 IonicContact OE1-NH2 2.75Å; R237-Q239 PolarHBondContact O-N 3.23Å
238	A	96.7	Very high	97.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	29%	0.291	C	S	.	.			trans	-49.2	136.4	173.7	0	0	0	0	0	110.8	N141 N184 D236 N240 E243 R244	N141-A238 HydrophobicContact CB-CB 4.13Å; N184-A238 WeakPolarHBondContact OD1-CA 3.28Å; D236-A238 VanDerWaalsContact OD1-CB 3.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.23Å; D236-A238 PolarHBondContact OD1-N 3.04Å; A238-N240 PolarHBondContact O-N 2.98Å; A238-E243 HydrophobicContact CB-CB 4.41Å; A238-R244 HydrophobicContact CB-CG 3.93Å; A238-R244 PolarHBondContact O-NE 3.06Å
239	Q	95.9	Very high	97.3	Very high	192 Å²	192	59.3 Å²	59.3	90%	0.897	29%	0.29	S	S	*	.	S	Bend	trans	-62.5	-36.4	-174.8	-177	178.7	-7.8	0	0	111.3	R237	R237-Q239 PolarHBondContact O-N 3.23Å
240	N	94.8	Very high	97.3	Very high	69 Å²	69	57.4 Å²	57.4	37%	0.369	29%	0.288	S	S	.	.	S	Bend	trans	-86.9	116.3	172.1	-174.9	-6.4	0	0	0	109.4	A238 N242 E243 R244	A238-N240 PolarHBondContact O-N 2.98Å; N240-N242 PolarHBondContact O-N 2.95Å; N240-N242 VanDerWaalsContact O-N 3.1Å; N240-N242 PolarHBondContact OD1-N 2.83Å; N240-N242 VanDerWaalsContact OD1-N 3.14Å; N240-E243 HydrophobicContact CB-CB 4.18Å; N240-E243 HydrophobicContact CB-CG 4.06Å; N240-E243 WeakPolarHBondContact CB-OE2 3.44Å; N240-E243 PolarHBondContact O-N 3.42Å; N240-R244 PolarHBondContact O-N 3.37Å
241	L	95	Very high	97.3	Very high	124 Å²	124	57.4 Å²	57.4	65%	0.649	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.3	-179.5	-63.9	177.7	0	0	0	113.4	E243	L241-E243 VanDerWaalsContact C-N 3.32Å
242	N	95.8	Very high	97.4	Very high	152 Å²	152	57 Å²	57	81%	0.813	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-16.6	178.6	-61.9	-33.2	0	0	0	113.3	N240	N240-N242 PolarHBondContact O-N 2.95Å; N240-N242 VanDerWaalsContact O-N 3.1Å; N240-N242 PolarHBondContact OD1-N 2.83Å; N240-N242 VanDerWaalsContact OD1-N 3.14Å
243	E	95.2	Very high	97.4	Very high	69 Å²	69	57 Å²	57	32%	0.322	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.7	176.5	-67.9	-178.7	146.6	0	0	111.6	R140 N141 A238 N240 L241 R245	R140-E243 IonicContact CZ-OE1 2.74Å; R140-E243 IonicContact NH1-OE1 3.53Å; R140-E243 PolarHBondContact NH1-OE1 2.84Å; R140-E243 IonicContact NH1-OE2 3.64Å; R140-E243 IonicContact NH2-OE1 2.66Å; N141-E243 PolarHBondContact ND2-O 2.81Å; A238-E243 HydrophobicContact CB-CB 4.41Å; N240-E243 HydrophobicContact CB-CB 4.18Å; N240-E243 HydrophobicContact CB-CG 4.06Å; N240-E243 WeakPolarHBondContact CB-OE2 3.44Å; N240-E243 PolarHBondContact O-N 3.42Å; L241-E243 VanDerWaalsContact C-N 3.32Å; E243-R245 PolarHBondContact O-N 2.79Å
244	R	97	Very high	97.4	Very high	74 Å²	74	56 Å²	56	28%	0.279	28%	0.283	S	S	.	.			trans	-60.3	134.1	177.3	-70.3	-169	177.9	-158.7	0.7	111.6	E188 N235 D236 A238 N240	E188-R244 IonicContact OE2-NH1 2.73Å; E188-R244 PolarHBondContact OE2-NH1 2.85Å; N235-R244 PolarHBondContact OD1-NH1 2.75Å; D236-R244 WeakPolarHBondContact O-CD 3.45Å; D236-R244 VanDerWaalsContact OD1-CA 3.28Å; D236-R244 WeakPolarHBondContact OD1-CA 3.43Å; D236-R244 WeakPolarHBondContact OD1-CG 3.43Å; A238-R244 HydrophobicContact CB-CG 3.93Å; A238-R244 PolarHBondContact O-NE 3.06Å; N240-R244 PolarHBondContact O-N 3.37Å
245	R	98.1	Very high	97.4	Very high	87 Å²	87	56.2 Å²	56.2	33%	0.328	28%	0.284	S	S	.	.			trans	-109.5	152.1	177.2	-65.4	163	167.1	-117.9	5.9	109.6	N141 D142 N143 S144 N235 D236 E243	N141-R245 PolarHBondContact O-NE 2.73Å; D142-R245 VanDerWaalsContact CA-NH2 3.33Å; D142-R245 PolarHBondContact O-NH1 3.22Å; D142-R245 PolarHBondContact O-NH2 3.23Å; N143-R245 WeakPolarHBondContact O-CD 3.25Å; S144-R245 WeakPolarHBondContact OG-CD 3.11Å; S144-R245 PolarHBondContact OG-NH1 3.12Å; S144-R245 VanDerWaalsContact OG-NH1 3.14Å; N235-R245 WeakPolarHBondContact CA-O 3.31Å; D236-R245 PolarHBondContact N-O 3.1Å; D236-R245 VanDerWaalsContact N-O 3.16Å; D236-R245 WeakPolarHBondContact OD2-CA 3.42Å; D236-R245 VanDerWaalsContact OD2-CB 3.24Å; D236-R245 WeakPolarHBondContact OD2-CB 3.33Å; D236-R245 PolarHBondContact OD2-N 3.16Å; E243-R245 PolarHBondContact O-N 2.79Å
246	T	97.7	Very high	97.4	Very high	71 Å²	71	59.4 Å²	59.4	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.1	-171.7	63.8	0	0	0	0	110.9	Q233 A234 N235	Q233-T246 HydrophobicContact CG-CG2 4.24Å; A234-T246 CarbonylContact O-C 3.6Å; A234-T246 VanDerWaalsContact O-CA 3.25Å; A234-T246 WeakPolarHBondContact O-CA 3.28Å; N235-T246 HydrophobicContact CB-CG2 3.83Å
247	T	98.2	Very high	97.4	Very high	45 Å²	45	63.9 Å²	63.9	28%	0.276	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.1	170.7	-60	0	0	0	0	109	P145 F147 Q233 A234	P145-T247 WeakPolarHBondContact O-CB 3.39Å; P145-T247 PolarHBondContact O-OG1 3.13Å; F147-T247 HydrophobicContact CD2-CG2 3.91Å; F147-T247 HydrophobicContact CE2-CG2 4.34Å; Q233-T247 CarbonylContact C-O 3.56Å; Q233-T247 WeakPolarHBondContact CA-O 3.43Å; A234-T247 PolarHBondContact N-O 3.48Å; A234-T247 PolarHBondContact O-N 2.77Å
248	T	98.2	Very high	97.3	Very high	83 Å²	83	60.4 Å²	60.4	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.2	179.8	54.4	0	0	0	0	111.6	I231 I232 Q233	I231-T248 HydrophobicContact CG2-CG2 4.3Å; I232-T248 CarbonylContact O-C 3.58Å; I232-T248 VanDerWaalsContact O-CA 3.29Å; I232-T248 WeakPolarHBondContact O-CA 3.2Å; Q233-T248 HydrophobicContact CB-CG2 4.02Å; Q233-T248 HydrophobicContact CG-CG2 4.14Å
249	T	98.3	Very high	97.3	Very high	7 Å²	7	65.8 Å²	65.8	4%	0.043	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	165.3	168.1	-169.9	0	0	0	0	109.6	F147 E150 Y152 F170 I232	F147-T249 HydrophobicContact CD1-CG2 3.78Å; F147-T249 HydrophobicContact CD2-CG2 4.04Å; F147-T249 HydrophobicContact CE1-CG2 3.48Å; F147-T249 VanDerWaalsContact CE1-CG2 3.48Å; F147-T249 HydrophobicContact CE2-CG2 3.77Å; F147-T249 HydrophobicContact CG-CG2 4.05Å; F147-T249 HydrophobicContact CZ-CG2 3.48Å; F147-T249 VanDerWaalsContact CZ-CG2 3.48Å; E150-T249 PolarHBondContact O-OG1 3.11Å; E150-T249 VanDerWaalsContact O-OG1 3.09Å; Y152-T249 HydrophobicContact CD2-CG2 3.75Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.27Å; Y152-T249 HydrophobicContact CE2-CG2 3.89Å; F170-T249 HydrophobicContact CE1-CG2 4.45Å; F170-T249 HydrophobicContact CZ-CG2 4.32Å; I232-T249 HydrophobicContact CB-CG2 4.25Å; I232-T249 PolarHBondContact N-O 2.75Å; I232-T249 PolarHBondContact O-N 3.43Å
250	T	98.4	Very high	97.2	Very high	53 Å²	53	60.4 Å²	60.4	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.9	174.6	-54.9	0	0	0	0	109.9	Y152 Y229 V230	Y152-T250 PolarHBondContact N-O 2.81Å; Y229-T250 HydrophobicContact CD1-CG2 4.24Å; V230-T250 WeakPolarHBondContact O-CA 3.22Å
251	L	98.6	Very high	97.1	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.6	165.3	172	64.9	0	0	0	108.6	Y152 A154 F167 V214 V230 I232 V253	Y152-L251 WeakPolarHBondContact O-CA 3.33Å; A154-L251 HydrophobicContact CB-CD1 4.12Å; F167-L251 HydrophobicContact CB-CD2 4.24Å; F167-L251 HydrophobicContact CD1-CD2 4.05Å; F167-L251 HydrophobicContact CD2-CD1 3.89Å; F167-L251 HydrophobicContact CE2-CD1 3.87Å; F167-L251 HydrophobicContact CG-CD1 4.24Å; F167-L251 HydrophobicContact CG-CD2 4.04Å; F167-L251 HydrophobicContact CZ-CD1 4.21Å; V214-L251 HydrophobicContact CB-CD2 4.42Å; V214-L251 HydrophobicContact CG2-CD2 3.88Å; V230-L251 HydrophobicContact CB-CB 4.25Å; V230-L251 PolarHBondContact N-O 3.47Å; V230-L251 PolarHBondContact O-N 2.75Å; I232-L251 HydrophobicContact CD1-CB 3.74Å; I232-L251 HydrophobicContact CD1-CD2 3.91Å; I232-L251 HydrophobicContact CD1-CG 4.48Å; L251-V253 HydrophobicContact CD2-CG2 4.06Å; L251-V253 HydrophobicContact CG-CG2 3.83Å
252	T	98.6	Very high	96.9	Very high	27 Å²	27	59 Å²	59	17%	0.166	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.6	172.2	-58.5	0	0	0	0	109	Y152 Y153 A154 R227 Y229	Y152-T252 PolarHBondContact O-N 3.03Å; Y153-T252 CarbonylContact C-O 3.6Å; Y153-T252 WeakPolarHBondContact CA-O 3.12Å; Y153-T252 HydrophobicContact CD2-CG2 4.13Å; Y153-T252 HydrophobicContact CE2-CG2 4.29Å; A154-T252 PolarHBondContact N-O 2.95Å; R227-T252 HydrophobicContact CG-CG2 4.21Å; Y229-T252 HydrophobicContact CD1-CG2 4.29Å; Y229-T252 HydrophobicContact CE1-CG2 4.02Å
253	V	98.7	Very high	96.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.1	179.6	-173.3	0	0	0	0	109.6	A154 V156 I166 F204 R227 Y228 V230 L251	A154-V253 HydrophobicContact CB-CG2 4.49Å; A154-V253 WeakPolarHBondContact O-CA 3.27Å; V156-V253 HydrophobicContact CB-CG1 4.47Å; V156-V253 HydrophobicContact CG1-CG1 3.56Å; I166-V253 HydrophobicContact CD1-CG2 4.48Å; F204-V253 HydrophobicContact CE1-CG1 4.11Å; F204-V253 HydrophobicContact CE2-CB 4.42Å; F204-V253 HydrophobicContact CE2-CG2 4.43Å; F204-V253 HydrophobicContact CZ-CB 4.04Å; F204-V253 HydrophobicContact CZ-CG1 3.73Å; F204-V253 HydrophobicContact CZ-CG2 4.22Å; R227-V253 WeakPolarHBondContact CA-O 3.28Å; Y228-V253 PolarHBondContact N-O 3.26Å; Y228-V253 PolarHBondContact O-N 3.13Å; V230-V253 HydrophobicContact CG2-CG2 4.14Å; L251-V253 HydrophobicContact CD2-CG2 4.06Å; L251-V253 HydrophobicContact CG-CG2 3.83Å
254	D	98.6	Very high	96.3	Very high	22 Å²	22	58 Å²	58	12%	0.118	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.3	173.6	-76.6	-16.9	0	0	0	110.8	Y153 A154 T155 V156 T226 R227	Y153-D254 HydrophobicContact CE2-CB 4.28Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.28Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.19Å; Y153-D254 PolarHBondContact OH-OD2 3.18Å; A154-D254 PolarHBondContact O-N 3.17Å; T155-D254 CarbonylContact C-O 3.56Å; T155-D254 VanDerWaalsContact CA-O 3.28Å; T155-D254 WeakPolarHBondContact CA-O 3.21Å; T155-D254 HydrophobicContact CG2-CB 4.37Å; V156-D254 PolarHBondContact N-O 2.63Å; T226-D254 WeakPolarHBondContact O-CA 3.5Å; R227-D254 IonicContact CZ-OD1 3.33Å; R227-D254 VanDerWaalsContact CZ-OD1 3.28Å; R227-D254 IonicContact CZ-OD2 3.46Å; R227-D254 IonicContact NE-OD1 2.81Å; R227-D254 PolarHBondContact NE-OD1 3.29Å; R227-D254 IonicContact NE-OD2 3.76Å; R227-D254 IonicContact NH2-OD1 2.75Å; R227-D254 PolarHBondContact NH2-OD1 2.98Å; R227-D254 IonicContact NH2-OD2 3.13Å; R227-D254 PolarHBondContact NH2-OD2 3.32Å
255	V	98.4	Very high	95.9	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130	173.6	-172.4	0	0	0	0	108.5	V156 E158 L220 Y222 K225 T226 Y228	V156-V255 HydrophobicContact CG1-CG2 4.43Å; V156-V255 CarbonylContact O-C 3.5Å; V156-V255 VanDerWaalsContact O-CA 3.28Å; V156-V255 WeakPolarHBondContact O-CA 3.39Å; E158-V255 HydrophobicContact CB-CG1 3.75Å; L220-V255 HydrophobicContact CB-CG1 4.24Å; L220-V255 HydrophobicContact CD1-CG1 4.25Å; L220-V255 HydrophobicContact CD1-CG2 4.2Å; L220-V255 HydrophobicContact CD2-CG2 4.42Å; Y222-V255 HydrophobicContact CD2-CB 4.32Å; Y222-V255 HydrophobicContact CD2-CG1 4.2Å; Y222-V255 WeakPolarHBondContact CD2-O 3.49Å; Y222-V255 VanDerWaalsContact CE2-O 3.23Å; Y222-V255 WeakPolarHBondContact CE2-O 3.36Å; K225-V255 WeakPolarHBondContact O-CG2 3.5Å; T226-V255 PolarHBondContact O-N 2.95Å; Y228-V255 HydrophobicContact CD2-CG2 4.1Å; Y228-V255 HydrophobicContact CE2-CG2 3.78Å
256	L	98.3	Very high	95.6	Very high	81 Å²	81	58.8 Å²	58.8	42%	0.424	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.8	174	-53	177.2	0	0	0	109.4	T155 V156 E158 G258	T155-L256 HydrophobicContact CG2-CD2 4.35Å; V156-L256 PolarHBondContact O-N 2.66Å; E158-L256 PolarHBondContact N-O 3.18Å; L256-G258 PolarHBondContact O-N 2.75Å
257	D	97.4	Very high	95.3	Very high	95 Å²	95	59.6 Å²	59.6	51%	0.508	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-55.3	127.4	174.9	-169.1	1.8	0	0	0	110.8	Y222	Y222-D257 HydrophobicContact CD1-CB 3.76Å; Y222-D257 HydrophobicContact CD2-CB 3.96Å; Y222-D257 HydrophobicContact CE1-CB 3.79Å; Y222-D257 HydrophobicContact CE2-CB 3.97Å; Y222-D257 HydrophobicContact CG-CB 3.86Å
258	G	95.8	Very high	95	Very high	10 Å²	10	59.6 Å²	59.6	10%	0.103	35%	0.345	C	S	.	.			trans	-108	159.2	179.8	0	0	0	0	0	111.7	E158 L256 D260	E158-G258 PolarHBondContact OE1-N 3.36Å; L256-G258 PolarHBondContact O-N 2.75Å; G258-D260 PolarHBondContact O-N 2.75Å
259	D	95.7	Very high	94.8	Very high	115 Å²	115	59.6 Å²	59.6	62%	0.615	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	68.9	174.6	-172.8	18.8	0	0	0	110.2
260	D	94.9	Very high	94.6	Very high	78 Å²	78	64.2 Å²	64.2	42%	0.417	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-22.8	177.9	83.4	-40.6	0	0	0	112.9	L159 G258	L159-D260 HydrophobicContact CD2-CB 3.74Å; G258-D260 PolarHBondContact O-N 2.75Å
261	L	92.9	Very high	94.5	Very high	103 Å²	103	64 Å²	64	54%	0.539	37%	0.368	S	S	.	.	S	Bend	trans	-96.8	133.5	175.5	-61.3	-177	0	0	0	112.7	E223	E223-L261 HydrophobicContact CG-CD1 4.19Å
262	G	90.6	Very high	94.3	Very high	60 Å²	60	68.2 Å²	68.2	62%	0.619	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-75.4	170.6	170.7	0	0	0	0	0	113.3
263	P	90.2	Very high	94.1	Very high	76 Å²	76	75.2 Å²	75.2	49%	0.494	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-64.7	149.6	176.2	28.4	-34.8	0	0	0	111.8	W318	P263-W318 HydrophobicContact CG-CZ2 3.89Å; P263-W318 VanDerWaalsContact CG-NE1 3.34Å
264	M	88.2	Confident	93.9	Very high	125 Å²	125	77.9 Å²	77.9	62%	0.616	45%	0.448	S	S	*	.			trans	-111.4	149.1	172.3	69.6	177.5	76.5	0	0	111.8	C268	M264-C268 HydrophobicContact SD-CB 4.2Å
265	F	89	Confident	93.5	Very high	92 Å²	92	84.6 Å²	84.6	40%	0.404	47%	0.471	S	S	.	.			trans	-79.3	148.3	173.8	-70.4	-79.9	0	0	0	111.7	L280 Y282 W318	F265-L280 HydrophobicContact CB-CD1 3.67Å; F265-Y282 AromaticContact CD1-CE2 3.76Å; F265-Y282 HydrophobicContact CD1-CE2 3.76Å; F265-Y282 HydrophobicContact CE1-CE2 4.12Å; F265-Y282 HydrophobicContact CG-CE2 4.41Å; F265-W318 HydrophobicContact CD2-CH2 4.38Å; F265-W318 AromaticContact CE1-CH2 3.95Å; F265-W318 HydrophobicContact CE1-CH2 3.95Å; F265-W318 AromaticContact CE1-CZ3 3.68Å; F265-W318 HydrophobicContact CE1-CZ3 3.68Å; F265-W318 AromaticContact CE2-CH2 3.55Å; F265-W318 HydrophobicContact CE2-CH2 3.55Å; F265-W318 HydrophobicContact CE2-CZ3 4Å; F265-W318 AromaticContact CZ-CH2 3.32Å; F265-W318 HydrophobicContact CZ-CH2 3.32Å; F265-W318 AromaticContact CZ-CZ3 3.26Å; F265-W318 HydrophobicContact CZ-CZ3 3.26Å
266	L	90.5	Very high	93.2	Very high	85 Å²	85	89.3 Å²	89.3	45%	0.445	50%	0.496	S	S	.	.	S	Bend	trans	-115.1	143.8	178.5	-63.8	177.4	0	0	0	111.8	C268 Y282	L266-C268 HydrophobicContact CD2-CB 4.36Å; L266-Y282 PolarHBondContact O-OH 2.79Å
267	P	92.3	Very high	92.9	Very high	89 Å²	89	87.3 Å²	87.3	58%	0.578	49%	0.489	S	S	*	.	S	Bend	cis	-77.5	137.9	1.2	31.5	-34.8	0	0	0	113.5	L280	P267-L280 WeakPolarHBondContact O-CD1 3.24Å
268	C	90.6	Very high	92.7	Very high	44 Å²	44	89.4 Å²	89.4	30%	0.297	49%	0.49	S	S	.	.			trans	-87.5	119.3	175.2	175.6	0	0	0	0	110.8	M264 L266 C277	M264-C268 HydrophobicContact SD-CB 4.2Å; L266-C268 HydrophobicContact CD2-CB 4.36Å; C268-C277 HydrophobicContact CB-CB 3.94Å; C268-C277 WeakPolarHBondContact CB-SG 3.28Å; C268-C277 WeakPolarHBondContact SG-CB 3.45Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 3.28Å
269	V	94.4	Very high	92.5	Very high	83 Å²	83	95 Å²	95	50%	0.503	52%	0.524	S	S	.	.			trans	-110	112.7	168	-178.9	0	0	0	0	107.6	R278	V269-R278 WeakPolarHBondContact O-CB 3.09Å; V269-R278 WeakPolarHBondContact O-CG 3.43Å; V269-R278 PolarHBondContact O-N 2.96Å
270	L	94.6	Very high	92.2	Very high	104 Å²	104	92.7 Å²	92.7	55%	0.545	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-62.3	140	-178.2	-69.1	175.5	0	0	0	111.8	D276	L270-D276 WeakPolarHBondContact CA-O 3.06Å
271	V	95.7	Very high	92	Very high	50 Å²	50	94.8 Å²	94.8	30%	0.303	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-72.1	134.2	167.6	179.6	0	0	0	0	108.3	N273 T274 D276 R278	V271-N273 PolarHBondContact O-N 2.08Å; V271-T274 HydrophobicContact CB-CG2 4.36Å; V271-T274 HydrophobicContact CG1-CG2 4.18Å; V271-T274 PolarHBondContact O-N 2.92Å; V271-D276 PolarHBondContact N-O 2.76Å; V271-R278 HydrophobicContact CG2-CG 3.61Å
272	P	95.6	Very high	91.9	Very high	88 Å²	88	94.3 Å²	94.3	57%	0.571	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	131.6	178.4	-27.5	34.9	0	0	0	112.2	T274	P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 2.97Å
273	N	93.9	Very high	91.9	Very high	174 Å²	174	100 Å²	100	93%	0.93	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	15.9	-177.8	-52.1	-37.1	0	0	0	116.1	V271	V271-N273 PolarHBondContact O-N 2.08Å
274	T	94.1	Very high	91.9	Very high	55 Å²	55	100.9 Å²	100.9	34%	0.337	54%	0.543	S	S	.	.	S	Bend	trans	-130.3	165	170.8	94.6	0	0	0	0	111.3	V271 P272 D276	V271-T274 HydrophobicContact CB-CG2 4.36Å; V271-T274 HydrophobicContact CG1-CG2 4.18Å; V271-T274 PolarHBondContact O-N 2.92Å; P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 2.97Å; T274-D276 VanDerWaalsContact C-N 3.29Å; T274-D276 VanDerWaalsContact CB-OD2 3.31Å; T274-D276 WeakPolarHBondContact CB-OD2 3.07Å; T274-D276 WeakPolarHBondContact OG1-CB 3.4Å; T274-D276 PolarHBondContact OG1-N 2.03Å; T274-D276 PolarHBondContact OG1-OD2 3.42Å
275	R	91.5	Very high	91.8	Very high	163 Å²	163	99.9 Å²	99.9	62%	0.615	55%	0.554	S	S	*	*	S	Bend	trans	-91.4	11.2	171.2	-65.9	-174.5	177.6	161.5	2.4	112.1	D224	D224-R275 IonicContact OD1-CZ 2.75Å; D224-R275 IonicContact OD1-NH1 3.05Å; D224-R275 PolarHBondContact OD1-NH1 3.36Å; D224-R275 IonicContact OD1-NH2 2.88Å; D224-R275 PolarHBondContact OD1-NH2 3.02Å
276	D	92	Very high	91.7	Very high	105 Å²	105	102.7 Å²	102.7	56%	0.561	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-92.5	138.3	-175.6	-48.1	-61.6	0	0	0	112	L270 V271 T274	L270-D276 WeakPolarHBondContact CA-O 3.06Å; V271-D276 PolarHBondContact N-O 2.76Å; T274-D276 VanDerWaalsContact C-N 3.29Å; T274-D276 VanDerWaalsContact CB-OD2 3.31Å; T274-D276 WeakPolarHBondContact CB-OD2 3.07Å; T274-D276 WeakPolarHBondContact OG1-CB 3.4Å; T274-D276 PolarHBondContact OG1-N 2.03Å; T274-D276 PolarHBondContact OG1-OD2 3.42Å
277	C	91.7	Very high	91.4	Very high	40 Å²	40	102 Å²	102	27%	0.27	57%	0.573	S	S	.	*	B	Isolated β-bridge	trans	-76	135.4	170.9	-56.7	0	0	0	0	110.9	C268	C268-C277 HydrophobicContact CB-CB 3.94Å; C268-C277 WeakPolarHBondContact CB-SG 3.28Å; C268-C277 WeakPolarHBondContact SG-CB 3.45Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 3.28Å
278	R	92.5	Very high	91	Very high	138 Å²	138	106.2 Å²	106.2	52%	0.521	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-55.9	138.7	172.3	-78.8	-174.7	179.5	-168.7	0.7	110.9	V269 V271 L280	V269-R278 WeakPolarHBondContact O-CB 3.09Å; V269-R278 WeakPolarHBondContact O-CG 3.43Å; V269-R278 PolarHBondContact O-N 2.96Å; V271-R278 HydrophobicContact CG2-CG 3.61Å; R278-L280 PolarHBondContact O-N 3.37Å
279	P	91.5	Very high	90.5	Very high	128 Å²	128	112.6 Å²	112.6	83%	0.831	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.7	176.2	-26.2	34.2	0	0	0	112
280	L	89.6	Confident	89.6	Confident	67 Å²	67	117.9 Å²	117.9	35%	0.351	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-97.6	141.5	178.3	-71.1	168.6	0	0	0	110.8	F265 P267 R278 Y282	F265-L280 HydrophobicContact CB-CD1 3.67Å; P267-L280 WeakPolarHBondContact O-CD1 3.24Å; R278-L280 PolarHBondContact O-N 3.37Å; L280-Y282 HydrophobicContact CB-CE2 4.47Å
281	T	91	Very high	88.7	Confident	121 Å²	121	118.2 Å²	118.2	74%	0.742	63%	0.632	S	S	*	*			trans	-117.9	106.2	167.8	-59.2	0	0	0	0	108.5
282	Y	91.2	Very high	87.7	Confident	94 Å²	94	119.3 Å²	119.3	37%	0.369	64%	0.64	S	S	.	*			trans	-73.4	128.2	172.4	-64.2	-74.1	0	0	0	109.5	F265 L266 L280 W304	F265-Y282 AromaticContact CD1-CE2 3.76Å; F265-Y282 HydrophobicContact CD1-CE2 3.76Å; F265-Y282 HydrophobicContact CE1-CE2 4.12Å; F265-Y282 HydrophobicContact CG-CE2 4.41Å; L266-Y282 PolarHBondContact O-OH 2.79Å; L280-Y282 HydrophobicContact CB-CE2 4.47Å; Y282-W304 AromaticContact CD1-CE3 3.81Å; Y282-W304 HydrophobicContact CD1-CE3 3.81Å; Y282-W304 HydrophobicContact CD1-CH2 4.31Å; Y282-W304 AromaticContact CD1-CZ3 3.37Å; Y282-W304 HydrophobicContact CD1-CZ3 3.37Å; Y282-W304 AromaticContact CE1-CE3 3.83Å; Y282-W304 HydrophobicContact CE1-CE3 3.83Å; Y282-W304 AromaticContact CE1-CZ3 3.71Å; Y282-W304 HydrophobicContact CE1-CZ3 3.71Å; Y282-W304 HydrophobicContact CG-CE3 4.39Å; Y282-W304 HydrophobicContact CG-CZ3 4.13Å
283	Q	89.3	Confident	86.3	Confident	180 Å²	180	120.3 Å²	120.3	84%	0.841	64%	0.641	S	S	*	*			trans	-104.3	129.4	176.3	-64.6	-166.8	-5.2	0	0	110.1
284	A	90.4	Very high	84.6	Confident	94 Å²	94	122 Å²	122	78%	0.777	64%	0.641	S	S	*	*			trans	-130.5	136.7	171.3	0	0	0	0	0	108.5
285	A	87.4	Confident	82.5	Confident	103 Å²	103	123.2 Å²	123.2	85%	0.851	66%	0.664	S	S	*	*			trans	-108.1	115.9	173.2	0	0	0	0	0	108.6
286	I	85.4	Confident	80.4	Confident	151 Å²	151	119 Å²	119	77%	0.774	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-101.2	117.1	174.7	-57.1	177.6	0	0	0	107.1	E288	I286-E288 PolarHBondContact O-N 3.05Å
287	P	84.5	Confident	78.2	Confident	71 Å²	71	120.4 Å²	120.4	46%	0.461	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-60	132.6	178.9	-23.4	33.6	0	0	0	111.4	R290	P287-R290 HydrophobicContact CB-CG 4.06Å
288	E	83.9	Confident	76	Confident	178 Å²	178	130.3 Å²	130.3	83%	0.832	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	147.7	169.5	60.5	-176.4	-177.7	0	0	110.6	I286 R290	I286-E288 PolarHBondContact O-N 3.05Å; E288-R290 VanDerWaalsContact C-N 3.27Å; E288-R290 PolarHBondContact O-N 2.84Å
289	L	79.6	Confident	73.6	Confident	177 Å²	177	128.5 Å²	128.5	93%	0.927	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	6.5	-178.5	-54.2	168.7	0	0	0	117.1
290	R	76.2	Confident	71.4	Confident	195 Å²	195	124.8 Å²	124.8	74%	0.736	69%	0.692	S	S	*	*			trans	-84.7	120.8	166.3	-73.9	-167.5	-176	-121.9	3.1	111	P287 E288	P287-R290 HydrophobicContact CB-CG 4.06Å; E288-R290 VanDerWaalsContact C-N 3.27Å; E288-R290 PolarHBondContact O-N 2.84Å
291	T	75.8	Confident	69.2	Low	110 Å²	110	125.4 Å²	125.4	68%	0.675	71%	0.706	S	S	*	*			trans	-70.9	142.3	166.6	47.7	0	0	0	0	109.6	D293	T291-D293 PolarHBondContact O-N 2.96Å
292	P	75.2	Confident	66.9	Low	73 Å²	73	126.6 Å²	126.6	47%	0.474	71%	0.708	S	S	.	*			trans	-58.5	115.3	165.4	-14.6	27.1	0	0	0	107.7	F294 L297	P292-F294 PolarHBondContact O-N 2.85Å; P292-L297 HydrophobicContact CB-CD1 4.05Å
293	D	66.3	Low	64.6	Low	109 Å²	109	126.1 Å²	126.1	58%	0.583	72%	0.718	S	S	*	*			trans	-63.4	106.3	168.3	-78.4	-25.1	0	0	0	106.8	T291 G295 S296	T291-D293 PolarHBondContact O-N 2.96Å; D293-G295 PolarHBondContact O-N 3.31Å; D293-S296 PolarHBondContact O-N 3.24Å
294	F	57.5	Low	62.5	Low	211 Å²	211	124.7 Å²	124.7	93%	0.925	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-1.3	175.2	-87.9	-90.4	0	0	0	112.7	P292	P292-F294 PolarHBondContact O-N 2.85Å
295	G	49.4	Very low	60	Low	80 Å²	80	124.8 Å²	124.8	83%	0.825	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-6.1	177.8	0	0	0	0	0	117.7	D293	D293-G295 PolarHBondContact O-N 3.31Å
296	S	47.2	Very low	57.9	Low	73 Å²	73	128 Å²	128	51%	0.51	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129	-1.8	-175.6	81.3	0	0	0	0	116.9	D293 R298 S299	D293-S296 PolarHBondContact O-N 3.24Å; S296-R298 PolarHBondContact O-N 3.31Å; S296-S299 PolarHBondContact O-OG 2.88Å
297	L	46	Very low	56.1	Low	136 Å²	136	124.3 Å²	124.3	71%	0.712	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	17.6	-179.6	-102.3	146.8	0	0	0	115.6	P292	P292-L297 HydrophobicContact CB-CD1 4.05Å
298	R	45.5	Very low	53.8	Low	247 Å²	247	124.5 Å²	124.5	93%	0.932	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-8.4	174.1	-92.7	-174.6	-179.1	-130.9	1.5	114.6	S296	S296-R298 PolarHBondContact O-N 3.31Å
299	S	43.2	Very low	51.6	Low	100 Å²	100	119.5 Å²	119.5	70%	0.699	69%	0.694	S	S	*	*	S	Bend	trans	-123.5	-7.7	-169.4	49.9	0	0	0	0	116.9	S296	S296-S299 PolarHBondContact O-OG 2.88Å
300	G	43.9	Very low	49.4	Very low	51 Å²	51	114 Å²	114	53%	0.526	68%	0.68	S	S	.	*	S	Bend	trans	-100.3	-10.5	-171.1	0	0	0	0	0	117.6
301	A	44.8	Very low	47.7	Very low	80 Å²	80	111.5 Å²	111.5	66%	0.661	69%	0.687	S	S	*	*	S	Bend	trans	-93.1	-5.4	-173.7	0	0	0	0	0	114.3
302	N	42.6	Very low	46.1	Very low	145 Å²	145	112.8 Å²	112.8	78%	0.775	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	3.5	-171.2	-68.8	-3.6	0	0	0	114.3
303	S	42.6	Very low	44.4	Very low	84 Å²	84	120.8 Å²	120.8	59%	0.587	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	2	-173.2	56.7	0	0	0	0	115.7
304	W	44.3	Very low	43	Very low	150 Å²	150	119.2 Å²	119.2	57%	0.568	70%	0.702	S	S	*	*	S	Bend	trans	-105	-2	-171.9	-57	99.3	0	0	0	115.1	Y282	Y282-W304 AromaticContact CD1-CE3 3.81Å; Y282-W304 HydrophobicContact CD1-CE3 3.81Å; Y282-W304 HydrophobicContact CD1-CH2 4.31Å; Y282-W304 AromaticContact CD1-CZ3 3.37Å; Y282-W304 HydrophobicContact CD1-CZ3 3.37Å; Y282-W304 AromaticContact CE1-CE3 3.83Å; Y282-W304 HydrophobicContact CE1-CE3 3.83Å; Y282-W304 AromaticContact CE1-CZ3 3.71Å; Y282-W304 HydrophobicContact CE1-CZ3 3.71Å; Y282-W304 HydrophobicContact CG-CE3 4.39Å; Y282-W304 HydrophobicContact CG-CZ3 4.13Å
305	C	39	Very low	42.1	Very low	96 Å²	96	112.3 Å²	112.3	65%	0.649	68%	0.678	S	S	*	*			trans	-126.2	91.6	174.4	-77.4	0	0	0	0	110.1
306	Q	43.9	Very low	41.8	Very low	170 Å²	170	113.6 Å²	113.6	79%	0.794	68%	0.675	S	S	*	*			trans	-99.7	103.8	158.9	-83.1	175.7	-36.2	0	0	106.9
307	G	45.6	Very low	41.5	Very low	74 Å²	74	114.7 Å²	114.7	76%	0.763	68%	0.68	S	S	*	*			trans	174.7	-20.1	-178.1	0	0	0	0	0	115.5	G309	G307-G309 PolarHBondContact O-N 3.2Å
308	C	37.4	Very low	41.3	Very low	76 Å²	76	112.8 Å²	112.8	51%	0.514	66%	0.663	S	S	.	*			trans	-81.7	67.2	171.3	-59.7	0	0	0	0	109.4	C314	C308-C314 WeakPolarHBondContact CB-SG 3.31Å; C308-C314 WeakPolarHBondContact SG-CB 3.46Å; C308-C314 CovalentContact SG-SG 2.08Å; C308-C314 PolarHBondContact SG-SG 3.12Å
309	G	37.8	Very low	40.9	Very low	72 Å²	72	112.2 Å²	112.2	74%	0.742	66%	0.661	S	S	*	*			trans	-81.5	113.3	169	0	0	0	0	0	109.7	G307	G307-G309 PolarHBondContact O-N 3.2Å
310	G	32.5	Very low	40.7	Very low	61 Å²	61	117.9 Å²	117.9	63%	0.629	67%	0.667	S	S	*	*	S	Bend	trans	64.9	106.3	163.3	0	0	0	0	0	117	H312	G310-H312 PolarHBondContact O-N 2.84Å
311	V	42.1	Very low	40.4	Very low	144 Å²	144	122.1 Å²	122.1	87%	0.873	68%	0.677	S	S	*	*	S	Bend	trans	87.1	-26.9	155.6	-164	0	0	0	0	118.6
312	H	40.7	Very low	39.8	Very low	136 Å²	136	125.5 Å²	125.5	63%	0.63	68%	0.683	S	S	*	*			trans	-105.8	128.3	-178.5	-71.2	-93.1	0	0	0	114.4	G310 C314	G310-H312 PolarHBondContact O-N 2.84Å; H312-C314 PolarHBondContact O-N 3.29Å
313	R	39.4	Very low	39.5	Very low	242 Å²	242	124.3 Å²	124.3	91%	0.913	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-63.3	122.8	177.3	-75.5	-179.1	-171.3	-158.9	1.8	109.4
314	C	36.6	Very low	39	Very low	75 Å²	75	132.1 Å²	132.1	51%	0.507	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-54	130.7	174.9	-39.3	0	0	0	0	110.3	C308 H312	C308-C314 WeakPolarHBondContact CB-SG 3.31Å; C308-C314 WeakPolarHBondContact SG-CB 3.46Å; C308-C314 CovalentContact SG-SG 2.08Å; C308-C314 PolarHBondContact SG-SG 3.12Å; H312-C314 PolarHBondContact O-N 3.29Å
315	P	40.4	Very low	38.5	Very low	67 Å²	67	136 Å²	136	44%	0.435	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-65.2	153.1	-174.1	-20.2	31.5	0	0	0	113.1	P317	P315-P317 WeakPolarHBondContact O-CD 3.37Å; P315-P317 VanDerWaalsContact O-N 3.16Å
316	S	42.6	Very low	38.2	Very low	107 Å²	107	143 Å²	143	75%	0.748	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-56.8	-17.8	-171.6	-44.3	0	0	0	0	119.7	W318	S316-W318 PolarHBondContact O-N 2.93Å
317	P	40.9	Very low	38	Very low	95 Å²	95	141.7 Å²	141.7	62%	0.617	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-66.4	-23.3	-178.1	-18.5	31.3	0	0	0	113.6	P315 R319	P315-P317 WeakPolarHBondContact O-CD 3.37Å; P315-P317 VanDerWaalsContact O-N 3.16Å; P317-R319 VanDerWaalsContact C-N 3.29Å; P317-R319 PolarHBondContact O-N 3.05Å
318	W	40.6	Very low	37.6	Very low	96 Å²	96	145.3 Å²	145.3	36%	0.364	74%	0.741	S	S	.	*	G	3₁₀ helix	trans	-78.9	-4.2	-171.1	-61.6	103.9	0	0	0	115	P263 F265 S316 R320 L321	P263-W318 HydrophobicContact CG-CZ2 3.89Å; P263-W318 VanDerWaalsContact CG-NE1 3.34Å; F265-W318 HydrophobicContact CD2-CH2 4.38Å; F265-W318 AromaticContact CE1-CH2 3.95Å; F265-W318 HydrophobicContact CE1-CH2 3.95Å; F265-W318 AromaticContact CE1-CZ3 3.68Å; F265-W318 HydrophobicContact CE1-CZ3 3.68Å; F265-W318 AromaticContact CE2-CH2 3.55Å; F265-W318 HydrophobicContact CE2-CH2 3.55Å; F265-W318 HydrophobicContact CE2-CZ3 4Å; F265-W318 AromaticContact CZ-CH2 3.32Å; F265-W318 HydrophobicContact CZ-CH2 3.32Å; F265-W318 AromaticContact CZ-CZ3 3.26Å; F265-W318 HydrophobicContact CZ-CZ3 3.26Å; S316-W318 PolarHBondContact O-N 2.93Å; W318-R320 PolarHBondContact O-N 3.39Å; W318-L321 HydrophobicContact CE3-CD1 4.31Å; W318-L321 HydrophobicContact CZ3-CD1 4.29Å
319	R	38.5	Very low	37.6	Very low	236 Å²	236	149.1 Å²	149.1	89%	0.891	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-76	-0.7	173.3	-80.4	-174.7	-171.1	-107.3	-0.6	114.4	P317	P317-R319 VanDerWaalsContact C-N 3.29Å; P317-R319 PolarHBondContact O-N 3.05Å
320	R	38.4	Very low	37.6	Very low	219 Å²	219	153.6 Å²	153.6	83%	0.826	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-119.7	16.2	-165.8	-116.9	-174	-71.9	-141.4	1.7	117.4	W318 L322	W318-R320 PolarHBondContact O-N 3.39Å; R320-L322 VanDerWaalsContact C-N 3.25Å; R320-L322 PolarHBondContact O-N 3.24Å; R320-L322 VanDerWaalsContact O-N 3.12Å
321	L	36.9	Very low	37.9	Very low	139 Å²	139	159.4 Å²	159.4	73%	0.728	76%	0.762	S	S	*	*			trans	-85.8	66.6	167.8	-67.4	171.1	0	0	0	110.5	W318	W318-L321 HydrophobicContact CE3-CD1 4.31Å; W318-L321 HydrophobicContact CZ3-CD1 4.29Å
322	L	33.4	Very low	37.6	Very low	151 Å²	151	160.5 Å²	160.5	79%	0.791	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-85.3	134.8	158.4	-79.9	166.7	0	0	0	107.6	R320 R324	R320-L322 VanDerWaalsContact C-N 3.25Å; R320-L322 PolarHBondContact O-N 3.24Å; R320-L322 VanDerWaalsContact O-N 3.12Å; L322-R324 PolarHBondContact O-N 3.1Å; L322-R324 VanDerWaalsContact O-N 3.1Å
323	P	36	Very low	37.4	Very low	121 Å²	121	162.2 Å²	162.2	79%	0.786	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-63.3	118	176.8	12.1	-8.4	0	0	0	109	R325	P323-R325 PolarHBondContact O-N 3.33Å
324	R	31	Very low	37.2	Very low	247 Å²	247	156.1 Å²	156.1	93%	0.932	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.2	117.6	157.7	-82.9	-173.5	179.8	-133	2	106.4	L322 L326	L322-R324 PolarHBondContact O-N 3.1Å; L322-R324 VanDerWaalsContact O-N 3.1Å; R324-L326 PolarHBondContact O-N 3.43Å
325	R	33.9	Very low	37.3	Very low	232 Å²	232	162.8 Å²	162.8	88%	0.875	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.4	126.5	163.5	-76.7	-174.7	-179.9	-165.5	-0.9	107.9	P323	P323-R325 PolarHBondContact O-N 3.33Å
326	L	34.6	Very low	37	Very low	244 Å²	244	171.5 Å²	171.5	100%	1.277	80%	0.803	S	S	*	*			trans	-67.5	0	150.9	-91.8	158.5	0	0	0	108.9	R324	R324-L326 PolarHBondContact O-N 3.43Å

Retrieved 326 of 326 residues in 240.4 ms (Link to these results)

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