A0A096NGA4_PAPAN Loading...

Decorin

May affect the rate of fibrils formation.

AlphaFold DB (A0A2K6DLC9), UniProt , Accession A0A096NGA4, Species PAPAN (Papio anubis, Olive baboon), Gene DCN, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	39	Very low	228 Å²	228	149.7 Å²	149.7	100%	1.123	80%	0.799	S	S	*	*				0	125.4	0	-73.1	133.4	68.6	0	0	107.6
2	K	34.8	Very low	39.1	Very low	201 Å²	201	152.8 Å²	152.8	87%	0.874	81%	0.805	S	S	*	*				61.8	138.8	110.7	-65	-169	174.7	-174.3	0	114.2
3	V	41.2	Very low	39.1	Very low	124 Å²	124	149.8 Å²	149.8	75%	0.752	80%	0.796	S	S	*	*			cis	-175.5	149.3	2.8	124.1	0	0	0	0	105
4	T	44.6	Very low	39	Very low	104 Å²	104	147.2 Å²	147.2	64%	0.638	80%	0.796	S	S	*	*			cis	-145.7	170.6	-1.6	23.4	0	0	0	0	107.3
5	I	46.3	Very low	39.2	Very low	152 Å²	152	154.9 Å²	154.9	78%	0.779	81%	0.809	S	S	*	*			cis	70.5	141.4	46.6	-44.8	175.7	0	0	0	114.7
6	I	45	Very low	39.6	Very low	151 Å²	151	151.6 Å²	151.6	77%	0.774	81%	0.811	S	S	*	*			trans	102.2	123.5	177.2	-63.5	167.9	0	0	0	112.7
7	L	35.6	Very low	40.3	Very low	138 Å²	138	146.6 Å²	146.6	72%	0.723	80%	0.804	S	S	*	*			cis	-146	155.4	-10.2	-140.7	72	0	0	0	106
8	L	34.5	Very low	40.6	Very low	154 Å²	154	145.8 Å²	145.8	81%	0.806	81%	0.807	S	S	*	*			cis	84.5	142.3	30.4	-112.9	177.9	0	0	0	116.6
9	L	35	Very low	40.8	Very low	145 Å²	145	147.3 Å²	147.3	76%	0.759	81%	0.805	S	S	*	*			trans	81.8	129.5	-171.9	-56.5	165.8	0	0	0	114.4
10	L	40	Very low	41.2	Very low	167 Å²	167	149 Å²	149	87%	0.874	81%	0.807	S	S	*	*			cis	-130.5	176.2	15.8	-83.7	166.4	0	0	0	114.9
11	A	36.1	Very low	41.5	Very low	83 Å²	83	149.9 Å²	149.9	69%	0.686	81%	0.806	S	S	*	*			trans	-49.8	148.4	-178.4	0	0	0	0	0	117.1
12	Q	40.5	Very low	42.3	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	79%	0.788	S	S	*	*				65.8	137	61.9	-93.1	-172.2	5.3	0	0	113.4
13	V	38.7	Very low	42.7	Very low	113 Å²	113	141.6 Å²	141.6	69%	0.685	77%	0.774	S	S	*	*			cis	-143.7	154.6	4.9	-167.2	0	0	0	0	108.4
14	S	38.2	Very low	43	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.78	S	S	*	*				174.6	154.6	107.1	-71.1	0	0	0	0	112
15	W	42.3	Very low	43.1	Very low	263 Å²	263	147.7 Å²	147.7	100%	0.996	79%	0.789	S	S	*	*			trans	-95.7	142.3	-179	-73.3	30.5	0	0	0	112.5
16	A	45.7	Very low	43	Very low	102 Å²	102	145.9 Å²	145.9	84%	0.843	78%	0.781	S	S	*	*			trans	-145.1	146.6	158.9	0	0	0	0	0	109.6
17	G	52.1	Low	42.7	Very low	67 Å²	67	148 Å²	148	69%	0.691	79%	0.785	S	S	*	*			trans	-75.5	177.9	178	0	0	0	0	0	113.6	F19	G17-F19 PolarHBondContact O-N 3.38Å
18	P	45.1	Very low	43.3	Very low	132 Å²	132	149.1 Å²	149.1	86%	0.857	79%	0.789	S	S	*	*			trans	-62.4	129.4	-177.1	25.6	-34.3	0	0	0	112.4	Q20	P18-Q20 PolarHBondContact O-N 3.31Å
19	F	44.4	Very low	43.8	Very low	174 Å²	174	149.6 Å²	149.6	76%	0.763	79%	0.791	S	S	*	*			trans	-69.8	112.9	178.9	176.9	-106.8	0	0	0	111.3	G17 Q21	G17-F19 PolarHBondContact O-N 3.38Å; F19-Q21 HydrophobicContact CD1-CB 4.24Å; F19-Q21 HydrophobicContact CE1-CB 3.66Å; F19-Q21 HydrophobicContact CE1-CG 4.05Å; F19-Q21 HydrophobicContact CZ-CB 4.32Å; F19-Q21 HydrophobicContact CZ-CG 4.43Å
20	Q	48.7	Very low	44.1	Very low	181 Å²	181	151.7 Å²	151.7	85%	0.846	80%	0.797	S	S	*	*			trans	-85.6	107.5	165.6	-73.2	-172.9	-56.7	0	0	109.6	P18 R22	P18-Q20 PolarHBondContact O-N 3.31Å; Q20-R22 PolarHBondContact O-N 3.07Å
21	Q	47.8	Very low	44	Very low	168 Å²	168	152 Å²	152	79%	0.785	80%	0.8	S	S	*	*			trans	-74.8	113.4	170.8	-167.7	165.7	-17.8	0	0	109.8	F19	F19-Q21 HydrophobicContact CD1-CB 4.24Å; F19-Q21 HydrophobicContact CE1-CB 3.66Å; F19-Q21 HydrophobicContact CE1-CG 4.05Å; F19-Q21 HydrophobicContact CZ-CB 4.32Å; F19-Q21 HydrophobicContact CZ-CG 4.43Å
22	R	52.1	Low	44.1	Very low	197 Å²	197	157.6 Å²	157.6	74%	0.743	81%	0.812	S	S	*	*			trans	-69.9	158.1	173	-67.8	-172.7	177.9	-168.6	1.7	111.2	Q20 D26	Q20-R22 PolarHBondContact O-N 3.07Å; R22-D26 WeakPolarHBondContact CD-OD2 3.4Å; R22-D26 IonicContact NH1-OD2 3.07Å; R22-D26 PolarHBondContact NH1-OD2 3.3Å
23	G	43.7	Very low	44	Very low	57 Å²	57	153.1 Å²	153.1	59%	0.588	81%	0.806	S	S	*	*			trans	-70.8	154.7	-179	0	0	0	0	0	113.4	F25 D26	G23-F25 PolarHBondContact O-N 3.45Å; G23-D26 PolarHBondContact O-N 3Å
24	L	47.8	Very low	44.2	Very low	166 Å²	166	153.6 Å²	153.6	87%	0.869	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-7.9	-172.7	-157	71.3	0	0	0	115.2
25	F	46.7	Very low	44.1	Very low	190 Å²	190	152 Å²	152	83%	0.833	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-8	-176	-68.4	-79.6	0	0	0	114.4	G23 F27	G23-F25 PolarHBondContact O-N 3.45Å; F25-F27 PolarHBondContact O-N 3.02Å
26	D	43.4	Very low	44.2	Very low	114 Å²	114	148 Å²	148	61%	0.61	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	23.8	-178.4	-139.7	20.3	0	0	0	112.8	R22 G23	R22-D26 WeakPolarHBondContact CD-OD2 3.4Å; R22-D26 IonicContact NH1-OD2 3.07Å; R22-D26 PolarHBondContact NH1-OD2 3.3Å; G23-D26 PolarHBondContact O-N 3Å
27	F	39.3	Very low	43.7	Very low	195 Å²	195	146.4 Å²	146.4	86%	0.855	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.1	15.2	-170.2	-152.4	-97.7	0	0	0	114.8	F25	F25-F27 PolarHBondContact O-N 3.02Å
28	M	46.5	Very low	43.3	Very low	162 Å²	162	149.3 Å²	149.3	80%	0.798	81%	0.813	S	S	*	*	S	Bend	trans	-135.1	35.3	-175.2	-66.2	-166.1	72	0	0	114.3
29	L	46.9	Very low	43.3	Very low	165 Å²	165	152.2 Å²	152.2	86%	0.864	82%	0.815	S	S	*	*			trans	-142.1	75.2	176.6	-76.2	176.4	0	0	0	112.2
30	E	41.3	Very low	43.2	Very low	189 Å²	189	151.7 Å²	151.7	88%	0.883	82%	0.819	S	S	*	*			trans	-164.9	93.2	155.6	-116.3	165.4	-152.1	0	0	110.3
31	D	36.9	Very low	43	Very low	173 Å²	173	148.7 Å²	148.7	93%	0.925	82%	0.815	S	S	*	*			trans	174.3	123.2	138.2	-99.3	-18	0	0	0	111
32	E	39.1	Very low	42.8	Very low	201 Å²	201	145.8 Å²	145.8	94%	0.939	81%	0.805	S	S	*	*			trans	-113.5	116.5	170.2	-72.6	-167.8	147.8	0	0	110.7
33	A	38.5	Very low	42.6	Very low	92 Å²	92	144 Å²	144	76%	0.76	81%	0.81	S	S	*	*			trans	-167.1	119.7	153.8	0	0	0	0	0	114.4
34	S	41.2	Very low	43	Very low	124 Å²	124	150 Å²	150	87%	0.867	82%	0.815	S	S	*	*			trans	29.2	112.8	147.1	61.2	0	0	0	0	121.1
35	G	36.3	Very low	43.1	Very low	79 Å²	79	148.9 Å²	148.9	81%	0.814	81%	0.81	S	S	*	*			trans	-162.1	143.2	159.6	0	0	0	0	0	111.6
36	I	44	Very low	43.1	Very low	180 Å²	180	150 Å²	150	92%	0.923	81%	0.81	S	S	*	*			trans	-116.6	121.2	-176.9	-66.7	176.5	0	0	0	111.5
37	G	35.4	Very low	43.6	Very low	69 Å²	69	151.9 Å²	151.9	71%	0.711	82%	0.815	S	S	*	*			trans	82.2	173.8	162.4	0	0	0	0	0	116.7
38	P	44.6	Very low	44.3	Very low	128 Å²	128	147.1 Å²	147.1	83%	0.831	80%	0.804	S	S	*	*			cis	-96.9	177.2	-8	39	-33.2	0	0	0	112.7	L40	P38-L40 PolarHBondContact O-N 3.46Å
39	E	43.8	Very low	44.7	Very low	193 Å²	193	145.4 Å²	145.4	90%	0.902	81%	0.805	S	S	*	*			trans	-65.7	127.7	170.8	-65.8	174.6	124.7	0	0	111.1
40	L	43.1	Very low	45.3	Very low	163 Å²	163	144 Å²	144	85%	0.853	80%	0.797	S	S	*	*			trans	-76.3	138	165.8	-77.2	164.8	0	0	0	109.2	P38 D42	P38-L40 PolarHBondContact O-N 3.46Å; L40-D42 PolarHBondContact O-N 3.43Å; L40-D42 VanDerWaalsContact O-N 3.14Å
41	P	45	Very low	46.5	Very low	118 Å²	118	137.2 Å²	137.2	77%	0.766	78%	0.778	S	S	*	*			trans	-68.6	114.2	177	27.9	-33	0	0	0	110.5	D43	P41-D43 PolarHBondContact O-N 3.24Å
42	D	44	Very low	48.3	Very low	106 Å²	106	133 Å²	133	57%	0.567	76%	0.76	S	S	*	*			trans	-19.5	108.2	161.9	-172.7	7.6	0	0	0	114.2	L40 R44	L40-D42 PolarHBondContact O-N 3.43Å; L40-D42 VanDerWaalsContact O-N 3.14Å; D42-R44 PolarHBondContact O-N 3.23Å; D42-R44 IonicContact OD1-NE 3.67Å; D42-R44 IonicContact OD2-CZ 3.82Å; D42-R44 IonicContact OD2-NE 2.65Å; D42-R44 PolarHBondContact OD2-NE 2.83Å; D42-R44 IonicContact OD2-NH2 3.1Å; D42-R44 PolarHBondContact OD2-NH2 2.65Å
43	D	46.3	Very low	50.5	Low	160 Å²	160	126.7 Å²	126.7	86%	0.856	74%	0.736	S	S	*	*			trans	-78.4	60.6	-172.1	-162	12.3	0	0	0	111.3	P41 D45	P41-D43 PolarHBondContact O-N 3.24Å; D43-D45 PolarHBondContact O-N 3.14Å
44	R	52.3	Low	53	Low	183 Å²	183	124.7 Å²	124.7	69%	0.691	72%	0.716	S	S	*	*			trans	-86.8	107.1	-170.3	-121.2	-169.3	-71.8	165.5	-2.1	112.2	D42 Y46	D42-R44 PolarHBondContact O-N 3.23Å; D42-R44 IonicContact OD1-NE 3.67Å; D42-R44 IonicContact OD2-CZ 3.82Å; D42-R44 IonicContact OD2-NE 2.65Å; D42-R44 PolarHBondContact OD2-NE 2.83Å; D42-R44 IonicContact OD2-NH2 3.1Å; D42-R44 PolarHBondContact OD2-NH2 2.65Å; R44-Y46 PolarHBondContact O-N 2.74Å
45	D	49.7	Very low	55.5	Low	142 Å²	142	119.9 Å²	119.9	76%	0.759	68%	0.681	S	S	*	*			trans	51.3	48.1	151.5	-56.4	-42.7	0	0	0	116.5	D43 E47	D43-D45 PolarHBondContact O-N 3.14Å; D45-E47 PolarHBondContact O-N 3.49Å
46	Y	46.9	Very low	58.1	Low	214 Å²	214	124.9 Å²	124.9	84%	0.839	68%	0.681	S	S	*	*			trans	-76.6	61.4	164.4	-143.8	-82.3	0	0	0	111.2	R44 P48	R44-Y46 PolarHBondContact O-N 2.74Å; Y46-P48 WeakPolarHBondContact O-CD 3.19Å; Y46-P48 VanDerWaalsContact O-N 3.1Å
47	E	55.3	Low	60.5	Low	153 Å²	153	124 Å²	124	72%	0.715	67%	0.666	S	S	*	*			trans	-57.1	113.5	163.5	-79.7	-161	140.9	0	0	107.9	D45	D45-E47 PolarHBondContact O-N 3.49Å
48	P	52.3	Low	63.4	Low	95 Å²	95	121.4 Å²	121.4	62%	0.617	64%	0.637	S	S	*	*			trans	-62.8	139.1	171.5	28.6	-33.4	0	0	0	107.4	Y46 L50	Y46-P48 WeakPolarHBondContact O-CD 3.19Å; Y46-P48 VanDerWaalsContact O-N 3.1Å; P48-L50 PolarHBondContact O-N 2.89Å
49	P	55.1	Low	65.8	Low	126 Å²	126	122 Å²	122	82%	0.818	63%	0.628	S	S	*	*			trans	-58.3	109.8	-176.5	23.4	-33.6	0	0	0	109.1	G51	P49-G51 PolarHBondContact O-N 3.29Å
50	L	61.2	Low	68.3	Low	135 Å²	135	115 Å²	115	71%	0.707	60%	0.6	S	S	*	*			trans	-55.5	100.9	-177.8	-85.7	144.9	0	0	0	109	P48 V53	P48-L50 PolarHBondContact O-N 2.89Å; L50-V53 HydrophobicContact CD2-CG2 4.36Å
51	G	64.8	Low	70.7	Confident	47 Å²	47	114 Å²	114	49%	0.485	59%	0.591	S	S	.	*			trans	-59.1	159.1	175.9	0	0	0	0	0	110.4	P49 V53	P49-G51 PolarHBondContact O-N 3.29Å; G51-V53 WeakPolarHBondContact O-CG2 3.27Å; G51-V53 PolarHBondContact O-N 3.27Å
52	P	75.6	Confident	73	Confident	84 Å²	84	115.2 Å²	115.2	55%	0.545	59%	0.59	S	S	.	*			trans	-51.9	113.6	-170.8	19.8	-32.7	0	0	0	112.4	D78 P80	P52-D78 WeakPolarHBondContact CA-O 3.27Å; P52-P80 HydrophobicContact CB-CB 4.2Å; P52-P80 HydrophobicContact CB-CG 4.17Å
53	V	85.1	Confident	75.5	Confident	70 Å²	70	116.9 Å²	116.9	42%	0.424	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-92.3	131.9	-169.6	-172.1	0	0	0	0	109.3	L50 G51 P55 D78	L50-V53 HydrophobicContact CD2-CG2 4.36Å; G51-V53 WeakPolarHBondContact O-CG2 3.27Å; G51-V53 PolarHBondContact O-N 3.27Å; V53-P55 WeakPolarHBondContact O-CD 3.46Å; V53-D78 PolarHBondContact N-O 2.96Å; V53-D78 VanDerWaalsContact N-O 3.15Å
54	C	92	Very high	77.9	Confident	50 Å²	50	112 Å²	112	34%	0.338	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-73.8	120.2	164.1	-166.9	0	0	0	0	108.7	C58 C60	C54-C58 PolarHBondContact SG-O 2.86Å; C54-C60 WeakPolarHBondContact CA-SG 3Å; C54-C60 HydrophobicContact CB-CB 3.69Å; C54-C60 WeakPolarHBondContact CB-SG 3Å; C54-C60 WeakPolarHBondContact SG-CB 3.38Å; C54-C60 PolarHBondContact SG-N 3.45Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.95Å
55	P	92.6	Very high	80.1	Confident	22 Å²	22	103.3 Å²	103.3	14%	0.143	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-63.1	152.3	-173.9	-16.8	27.6	0	0	0	111.8	V53 R57 C58 P76 L79	V53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-R57 PolarHBondContact O-N 3.44Å; P55-C58 HydrophobicContact CB-CB 4.38Å; P55-C58 HydrophobicContact CG-CB 4.47Å; P55-C58 VanDerWaalsContact O-CB 3.27Å; P55-C58 WeakPolarHBondContact O-CB 3.12Å; P55-C58 PolarHBondContact O-N 2.85Å; P55-P76 HydrophobicContact CB-CB 3.89Å; P55-P76 HydrophobicContact CB-CG 4.27Å; P55-P76 HydrophobicContact CG-CB 3.4Å; P55-P76 HydrophobicContact CG-CG 3.97Å; P55-L79 HydrophobicContact CG-CD2 3.45Å; P55-L79 VanDerWaalsContact CG-CD2 3.45Å
56	F	90.6	Very high	82.4	Confident	185 Å²	185	99.3 Å²	99.3	81%	0.811	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	128.5	-175	-176.6	-111.6	0	0	0	112.1	C58	F56-C58 PolarHBondContact O-N 2.9Å
57	R	94.1	Very high	84.8	Confident	161 Å²	161	89.1 Å²	89.1	61%	0.608	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-4.4	-172.1	-59.6	172.6	59.9	-150.1	-6.8	116.9	P55 L70	P55-R57 PolarHBondContact O-N 3.44Å; R57-L70 HydrophobicContact CB-CD1 4.1Å; R57-L70 HydrophobicContact CB-CD2 3.58Å; R57-L70 HydrophobicContact CB-CG 4.48Å
58	C	96.1	Very high	86.9	Confident	14 Å²	14	82.7 Å²	82.7	10%	0.095	44%	0.44	C	S	.	.			trans	-72.1	160.2	167.1	-60.5	0	0	0	0	111	C54 P55 F56 Q66 C67 L70	C54-C58 PolarHBondContact SG-O 2.86Å; P55-C58 HydrophobicContact CB-CB 4.38Å; P55-C58 HydrophobicContact CG-CB 4.47Å; P55-C58 VanDerWaalsContact O-CB 3.27Å; P55-C58 WeakPolarHBondContact O-CB 3.12Å; P55-C58 PolarHBondContact O-N 2.85Å; F56-C58 PolarHBondContact O-N 2.9Å; C58-Q66 CarbonylContact C-O 3.54Å; C58-Q66 VanDerWaalsContact CA-O 3.27Å; C58-Q66 WeakPolarHBondContact CA-O 3.41Å; C58-Q66 WeakPolarHBondContact CB-O 3.42Å; C58-C67 HydrophobicContact CB-CB 4.16Å; C58-C67 WeakPolarHBondContact CB-SG 3.37Å; C58-C67 WeakPolarHBondContact SG-CB 3.4Å; C58-C67 CovalentContact SG-SG 2.04Å; C58-C67 PolarHBondContact SG-SG 2.03Å; C58-L70 HydrophobicContact CB-CD1 4.34Å; C58-L70 WeakPolarHBondContact SG-CD1 3.42Å
59	Q	96.3	Very high	89	Confident	140 Å²	140	83 Å²	83	65%	0.654	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.2	175	-61.1	170.8	36.3	0	0	108.4	Q66	Q59-Q66 HydrophobicContact CB-CB 4.34Å; Q59-Q66 PolarHBondContact N-O 3.36Å; Q59-Q66 PolarHBondContact O-N 2.83Å
60	C	95.6	Very high	91.1	Very high	46 Å²	46	78.5 Å²	78.5	31%	0.311	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.3	-178.6	-51.8	0	0	0	0	109.5	C54 V64 V65	C54-C60 WeakPolarHBondContact CA-SG 3Å; C54-C60 HydrophobicContact CB-CB 3.69Å; C54-C60 WeakPolarHBondContact CB-SG 3Å; C54-C60 WeakPolarHBondContact SG-CB 3.38Å; C54-C60 PolarHBondContact SG-N 3.45Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.95Å; C60-V64 WeakPolarHBondContact CA-O 3.35Å; C60-V65 HydrophobicContact CB-CG2 4.38Å
61	H	94.4	Very high	92.8	Very high	143 Å²	143	73 Å²	73	66%	0.662	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	134	-174.3	-169.9	71.2	0	0	0	110.6	R63 V64	H61-R63 VanDerWaalsContact C-N 3.29Å; H61-R63 PolarHBondContact O-N 2.61Å; H61-R63 VanDerWaalsContact O-N 3.15Å; H61-V64 PolarHBondContact N-O 3.31Å; H61-V64 WeakPolarHBondContact O-CB 3.43Å; H61-V64 PolarHBondContact O-N 3.43Å
62	L	93	Very high	94.3	Very high	144 Å²	144	72.8 Å²	72.8	75%	0.754	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	48	176.6	-62.9	173.9	0	0	0	114.2	V64	L62-V64 PolarHBondContact O-N 2.85Å
63	R	95.6	Very high	95.3	Very high	141 Å²	141	73.2 Å²	73.2	53%	0.532	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	5.7	-178.7	-57.1	175.2	-179.7	148.1	5.6	116.1	H61 D82 T83 T84 L85	H61-R63 VanDerWaalsContact C-N 3.29Å; H61-R63 PolarHBondContact O-N 2.61Å; H61-R63 VanDerWaalsContact O-N 3.15Å; R63-D82 WeakPolarHBondContact CB-O 3.35Å; R63-D82 VanDerWaalsContact CD-O 3.28Å; R63-D82 WeakPolarHBondContact CD-O 3.43Å; R63-D82 HydrophobicContact CG-CB 4.34Å; R63-D82 VanDerWaalsContact CG-O 3.31Å; R63-D82 WeakPolarHBondContact CG-O 3.47Å; R63-D82 WeakPolarHBondContact CG-OD2 3.28Å; R63-D82 IonicContact CZ-OD2 2.61Å; R63-D82 IonicContact NE-OD2 3.95Å; R63-D82 PolarHBondContact NE-OD2 3.3Å; R63-T83 CarbonylContact O-C 3.36Å; R63-T83 VanDerWaalsContact O-CA 3.29Å; R63-T83 WeakPolarHBondContact O-CA 3.2Å; R63-T83 WeakPolarHBondContact O-CG2 3.38Å; R63-T84 HydrophobicContact CB-CG2 4.06Å; R63-T84 PolarHBondContact O-N 3.18Å; R63-T84 PolarHBondContact O-OG1 3.17Å; R63-L85 PolarHBondContact O-N 2.97Å
64	V	97.8	Very high	95.9	Very high	57 Å²	57	76.7 Å²	76.7	35%	0.345	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.2	166.6	-177	0	0	0	0	108.8	C60 H61 L62 L85	C60-V64 WeakPolarHBondContact CA-O 3.35Å; H61-V64 PolarHBondContact N-O 3.31Å; H61-V64 WeakPolarHBondContact O-CB 3.43Å; H61-V64 PolarHBondContact O-N 3.43Å; L62-V64 PolarHBondContact O-N 2.85Å; V64-L85 HydrophobicContact CG1-CB 4.47Å; V64-L85 HydrophobicContact CG1-CD2 4.07Å; V64-L85 HydrophobicContact CG2-CB 4.39Å
65	V	97.9	Very high	96.1	Very high	1 Å²	1	74.8 Å²	74.8	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.8	168.1	173.6	0	0	0	0	107.5	C60 L79 P80 T83 L85 L86 D87	C60-V65 HydrophobicContact CB-CG2 4.38Å; V65-L79 HydrophobicContact CG1-CD2 4Å; V65-P80 HydrophobicContact CG2-CG 4.48Å; V65-T83 HydrophobicContact CB-CG2 4.12Å; V65-T83 HydrophobicContact CG2-CG2 3.75Å; V65-T83 VanDerWaalsContact CG2-OG1 3.3Å; V65-T83 WeakPolarHBondContact CG2-OG1 3.04Å; V65-L85 PolarHBondContact N-O 2.77Å; V65-L86 HydrophobicContact CB-CD1 3.85Å; V65-L86 HydrophobicContact CG1-CD1 3.58Å; V65-D87 PolarHBondContact O-N 2.91Å
66	Q	98.3	Very high	96.3	Very high	57 Å²	57	74.6 Å²	74.6	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111	-178.6	177	51.8	-79.6	0	0	109.9	C58 Q59 S68 D87	C58-Q66 CarbonylContact C-O 3.54Å; C58-Q66 VanDerWaalsContact CA-O 3.27Å; C58-Q66 WeakPolarHBondContact CA-O 3.41Å; C58-Q66 WeakPolarHBondContact CB-O 3.42Å; Q59-Q66 HydrophobicContact CB-CB 4.34Å; Q59-Q66 PolarHBondContact N-O 3.36Å; Q59-Q66 PolarHBondContact O-N 2.83Å; Q66-S68 VanDerWaalsContact CD-OG 3.26Å; Q66-S68 PolarHBondContact NE2-OG 3Å; Q66-S68 VanDerWaalsContact OE1-CB 3.26Å; Q66-S68 PolarHBondContact OE1-OG 3.15Å; Q66-D87 PolarHBondContact NE2-OD2 2.91Å; Q66-D87 PolarHBondContact OE1-OD2 2.85Å
67	C	97.9	Very high	96.3	Very high	1 Å²	1	73 Å²	73	1%	0.007	35%	0.354	C	S	.	.			trans	-125.4	23.6	-178.2	-67.1	0	0	0	0	112.6	C58 L70 L72 D87 L88 N91	C58-C67 HydrophobicContact CB-CB 4.16Å; C58-C67 WeakPolarHBondContact CB-SG 3.37Å; C58-C67 WeakPolarHBondContact SG-CB 3.4Å; C58-C67 CovalentContact SG-SG 2.04Å; C58-C67 PolarHBondContact SG-SG 2.03Å; C67-L70 HydrophobicContact CB-CD1 4.18Å; C67-L72 HydrophobicContact CB-CD1 3.98Å; C67-D87 WeakPolarHBondContact CA-O 3.47Å; C67-D87 WeakPolarHBondContact CB-O 3.39Å; C67-D87 PolarHBondContact N-O 2.83Å; C67-L88 HydrophobicContact CB-CD2 3.61Å; C67-L88 HydrophobicContact CB-CG 4.48Å; C67-N91 PolarHBondContact O-ND2 3.2Å
68	S	97.9	Very high	96.1	Very high	17 Å²	17	69.3 Å²	69.3	12%	0.119	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	148	175.5	-62.8	0	0	0	0	113.2	Q66 L70 D87 Q89	Q66-S68 VanDerWaalsContact CD-OG 3.26Å; Q66-S68 PolarHBondContact NE2-OG 3Å; Q66-S68 VanDerWaalsContact OE1-CB 3.26Å; Q66-S68 PolarHBondContact OE1-OG 3.15Å; S68-L70 WeakPolarHBondContact O-CG 3.05Å; S68-L70 PolarHBondContact O-N 3.24Å; S68-D87 PolarHBondContact OG-OD2 2.82Å; S68-Q89 WeakPolarHBondContact CA-O 3.1Å; S68-Q89 WeakPolarHBondContact OG-CG 3.38Å; S68-Q89 PolarHBondContact OG-NE2 2.71Å
69	D	97.9	Very high	96	Very high	102 Å²	102	69.2 Å²	69.2	55%	0.545	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	10.2	166	-49.8	-69.3	0	0	0	116	Q89 N90	D69-Q89 PolarHBondContact N-O 3.02Å; D69-N90 WeakPolarHBondContact OD1-CB 3.31Å; D69-N90 PolarHBondContact OD1-ND2 2.66Å
70	L	97.3	Very high	95.9	Very high	32 Å²	32	63.5 Å²	63.5	17%	0.168	32%	0.32	C	S	.	.	S	Bend	trans	-80.4	-17	-177.4	-62.9	-172.6	0	0	0	113.4	R57 C58 C67 S68 L72 N91	R57-L70 HydrophobicContact CB-CD1 4.1Å; R57-L70 HydrophobicContact CB-CD2 3.58Å; R57-L70 HydrophobicContact CB-CG 4.48Å; C58-L70 HydrophobicContact CB-CD1 4.34Å; C58-L70 WeakPolarHBondContact SG-CD1 3.42Å; C67-L70 HydrophobicContact CB-CD1 4.18Å; S68-L70 WeakPolarHBondContact O-CG 3.05Å; S68-L70 PolarHBondContact O-N 3.24Å; L70-L72 HydrophobicContact CB-CD1 4.3Å; L70-L72 HydrophobicContact CB-CD2 4.5Å; L70-L72 HydrophobicContact CB-CG 3.93Å; L70-L72 HydrophobicContact CD1-CD1 4.39Å; L70-N91 PolarHBondContact N-OD1 3.29Å
71	G	97.1	Very high	95.8	Very high	18 Å²	18	64.1 Å²	64.1	19%	0.186	32%	0.324	C	S	.	.			trans	74.4	27	-178.6	0	0	0	0	0	114.3	N91 K92	G71-N91 PolarHBondContact N-OD1 3.06Å; G71-K92 WeakPolarHBondContact O-CD 3.16Å; G71-K92 PolarHBondContact O-NZ 2.85Å
72	L	97.4	Very high	95.8	Very high	43 Å²	43	60.7 Å²	60.7	23%	0.225	31%	0.31	C	S	.	.			trans	-62.3	127.7	-179.9	-62.5	165.9	0	0	0	111.8	C67 L70 K74 P76 L88 N91 K92 I93	C67-L72 HydrophobicContact CB-CD1 3.98Å; L70-L72 HydrophobicContact CB-CD1 4.3Å; L70-L72 HydrophobicContact CB-CD2 4.5Å; L70-L72 HydrophobicContact CB-CG 3.93Å; L70-L72 HydrophobicContact CD1-CD1 4.39Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-P76 HydrophobicContact CD1-CG 3.84Å; L72-L88 HydrophobicContact CD1-CD2 3.82Å; L72-N91 HydrophobicContact CB-CB 4.24Å; L72-N91 WeakPolarHBondContact CB-OD1 3.38Å; L72-N91 PolarHBondContact N-OD1 2.92Å; L72-K92 CarbonylContact O-C 3.53Å; L72-K92 WeakPolarHBondContact O-CA 3.4Å; L72-K92 PolarHBondContact O-N 2.04Å; L72-I93 PolarHBondContact O-N 3.09Å
73	D	96.9	Very high	96	Very high	94 Å²	94	53.8 Å²	53.8	50%	0.503	27%	0.274	S	S	.	.	S	Bend	trans	-82.4	-10	179.2	-54.6	-64.8	0	0	0	113.8	K92 I93	D73-K92 WeakPolarHBondContact OD1-CB 3.44Å; D73-K92 WeakPolarHBondContact OD1-CD 3.26Å; D73-I93 WeakPolarHBondContact O-CA 3.17Å
74	K	96.9	Very high	96.2	Very high	143 Å²	143	49.1 Å²	49.1	62%	0.622	26%	0.261	S	S	*	.	S	Bend	trans	-149.7	160.8	-175.5	-63.2	175.8	-172.9	157.3	0	110.7	L72	L72-K74 VanDerWaalsContact C-N 3.34Å
75	V	97.2	Very high	96.2	Very high	10 Å²	10	49 Å²	49	6%	0.061	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.9	130.2	169.3	-178.8	0	0	0	0	109.5	L88 I93 D100 F101	V75-L88 HydrophobicContact CG1-CD1 4.25Å; V75-I93 HydrophobicContact CG2-CD1 4.29Å; V75-I93 HydrophobicContact CG2-CG2 4.42Å; V75-D100 HydrophobicContact CB-CB 4.08Å; V75-D100 HydrophobicContact CG1-CB 4.27Å; V75-D100 HydrophobicContact CG2-CB 4.23Å; V75-F101 HydrophobicContact CB-CE1 4.49Å; V75-F101 HydrophobicContact CG1-CD1 4.07Å; V75-F101 HydrophobicContact CG1-CE1 3.57Å; V75-F101 HydrophobicContact CG1-CZ 4.27Å; V75-F101 HydrophobicContact CG2-CE1 4.07Å; V75-F101 HydrophobicContact CG2-CZ 3.92Å
76	P	95.2	Very high	96.2	Very high	17 Å²	17	49 Å²	49	11%	0.11	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63.5	140.6	173.4	-22.5	33.9	0	0	0	112.1	P55 L72 L79 L88	P55-P76 HydrophobicContact CB-CB 3.89Å; P55-P76 HydrophobicContact CB-CG 4.27Å; P55-P76 HydrophobicContact CG-CB 3.4Å; P55-P76 HydrophobicContact CG-CG 3.97Å; L72-P76 HydrophobicContact CD1-CG 3.84Å; P76-L79 HydrophobicContact CB-CD2 4.18Å; P76-L88 HydrophobicContact CG-CD2 4.04Å
77	K	91.1	Very high	96.2	Very high	152 Å²	152	46.6 Å²	46.6	66%	0.661	25%	0.247	S	C	*	.	S	Bend	trans	-84.7	165.2	176.3	-62.2	-178.9	176.2	176.6	0	111.7	L79	K77-L79 PolarHBondContact O-N 2.89Å; K77-L79 VanDerWaalsContact O-N 3.09Å
78	D	89.8	Confident	96.3	Very high	84 Å²	84	46.6 Å²	46.6	45%	0.449	25%	0.247	S	C	.	.	S	Bend	trans	57.3	32.6	161.2	-46.4	-47.9	0	0	0	114.3	P52 V53 K102	P52-D78 WeakPolarHBondContact CA-O 3.27Å; V53-D78 PolarHBondContact N-O 2.96Å; V53-D78 VanDerWaalsContact N-O 3.15Å; D78-K102 IonicContact OD1-NZ 2.78Å; D78-K102 PolarHBondContact OD1-NZ 2.97Å
79	L	94.1	Very high	96.3	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	26%	0.257	C	S	.	.			trans	-62.7	155.7	172.2	-66.2	177.7	0	0	0	113	P55 V65 P76 K77 P81 L86 L104	P55-L79 HydrophobicContact CG-CD2 3.45Å; P55-L79 VanDerWaalsContact CG-CD2 3.45Å; V65-L79 HydrophobicContact CG1-CD2 4Å; P76-L79 HydrophobicContact CB-CD2 4.18Å; K77-L79 PolarHBondContact O-N 2.89Å; K77-L79 VanDerWaalsContact O-N 3.09Å; L79-P81 WeakPolarHBondContact O-CD 3.36Å; L79-L86 HydrophobicContact CD1-CD1 3.89Å; L79-L86 HydrophobicContact CD1-CD2 3.75Å; L79-L104 HydrophobicContact CB-CD2 4.13Å; L79-L104 HydrophobicContact CD1-CD1 4.3Å
80	P	94	Very high	96.3	Very high	20 Å²	20	47.8 Å²	47.8	13%	0.13	25%	0.25	C	S	.	.			trans	-52.8	121.6	177	-25.6	33.5	0	0	0	114.7	P52 V65 D82 T83	P52-P80 HydrophobicContact CB-CB 4.2Å; P52-P80 HydrophobicContact CB-CG 4.17Å; V65-P80 HydrophobicContact CG2-CG 4.48Å; P80-D82 PolarHBondContact O-N 3.31Å; P80-D82 VanDerWaalsContact O-N 3.09Å; P80-T83 VanDerWaalsContact O-CB 3.29Å; P80-T83 WeakPolarHBondContact O-CB 3.39Å; P80-T83 PolarHBondContact O-N 3.37Å; P80-T83 PolarHBondContact O-OG1 2.82Å
81	P	94.1	Very high	96.4	Very high	60 Å²	60	46.7 Å²	46.7	39%	0.39	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.7	179.6	-25.6	35.7	0	0	0	115.6	L79 N103 N106	L79-P81 WeakPolarHBondContact O-CD 3.36Å; P81-N103 HydrophobicContact CG-CB 4.47Å; P81-N106 PolarHBondContact O-ND2 3.12Å
82	D	95.1	Very high	96.4	Very high	70 Å²	70	50.5 Å²	50.5	37%	0.374	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.9	174.1	78.3	-35.6	0	0	0	113.7	R63 P80 T84	R63-D82 WeakPolarHBondContact CB-O 3.35Å; R63-D82 VanDerWaalsContact CD-O 3.28Å; R63-D82 WeakPolarHBondContact CD-O 3.43Å; R63-D82 HydrophobicContact CG-CB 4.34Å; R63-D82 VanDerWaalsContact CG-O 3.31Å; R63-D82 WeakPolarHBondContact CG-O 3.47Å; R63-D82 WeakPolarHBondContact CG-OD2 3.28Å; R63-D82 IonicContact CZ-OD2 2.61Å; R63-D82 IonicContact NE-OD2 3.95Å; R63-D82 PolarHBondContact NE-OD2 3.3Å; P80-D82 PolarHBondContact O-N 3.31Å; P80-D82 VanDerWaalsContact O-N 3.09Å; D82-T84 PolarHBondContact O-N 3.25Å
83	T	97.3	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.			trans	-52.5	127.5	175.2	-62.7	0	0	0	0	112	R63 V65 P80 L85 L86 N106 L107	R63-T83 CarbonylContact O-C 3.36Å; R63-T83 VanDerWaalsContact O-CA 3.29Å; R63-T83 WeakPolarHBondContact O-CA 3.2Å; R63-T83 WeakPolarHBondContact O-CG2 3.38Å; V65-T83 HydrophobicContact CB-CG2 4.12Å; V65-T83 HydrophobicContact CG2-CG2 3.75Å; V65-T83 VanDerWaalsContact CG2-OG1 3.3Å; V65-T83 WeakPolarHBondContact CG2-OG1 3.04Å; P80-T83 VanDerWaalsContact O-CB 3.29Å; P80-T83 WeakPolarHBondContact O-CB 3.39Å; P80-T83 PolarHBondContact O-N 3.37Å; P80-T83 PolarHBondContact O-OG1 2.82Å; T83-L85 VanDerWaalsContact CG2-O 3.28Å; T83-L85 WeakPolarHBondContact CG2-O 3.38Å; T83-L86 HydrophobicContact CG2-CB 4.34Å; T83-N106 CarbonylContact O-C 3.52Å; T83-L107 HydrophobicContact CG2-CD1 3.83Å; T83-L107 WeakPolarHBondContact O-CA 3.3Å; T83-L107 PolarHBondContact O-N 3.19Å
84	T	98.1	Very high	96.5	Very high	43 Å²	43	47 Å²	47	26%	0.264	24%	0.239	S	C	.	.	S	Bend	trans	-104.9	-28	178.5	53.5	0	0	0	0	112.9	R63 D82 N106 H108 A109	R63-T84 HydrophobicContact CB-CG2 4.06Å; R63-T84 PolarHBondContact O-N 3.18Å; R63-T84 PolarHBondContact O-OG1 3.17Å; D82-T84 PolarHBondContact O-N 3.25Å; T84-N106 WeakPolarHBondContact CA-O 3.29Å; T84-H108 PolarHBondContact O-N 2.89Å; T84-A109 PolarHBondContact O-N 3.15Å
85	L	98.5	Very high	96.6	Very high	54 Å²	54	42.9 Å²	42.9	28%	0.283	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.6	174.5	-168.1	155.9	0	0	0	109.6	R63 V64 V65 T83 D87 A109 I111	R63-L85 PolarHBondContact O-N 2.97Å; V64-L85 HydrophobicContact CG1-CB 4.47Å; V64-L85 HydrophobicContact CG1-CD2 4.07Å; V64-L85 HydrophobicContact CG2-CB 4.39Å; V65-L85 PolarHBondContact N-O 2.77Å; T83-L85 VanDerWaalsContact CG2-O 3.28Å; T83-L85 WeakPolarHBondContact CG2-O 3.38Å; L85-D87 HydrophobicContact CD2-CB 3.97Å; L85-A109 HydrophobicContact CD1-CB 4.34Å; L85-A109 HydrophobicContact CG-CB 4.13Å; L85-I111 HydrophobicContact CD2-CD1 4.33Å
86	L	98.4	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.2	173.9	174.9	56.5	0	0	0	108.4	V65 L79 T83 L88 F101 L104 L107 A109 L110 I111	V65-L86 HydrophobicContact CB-CD1 3.85Å; V65-L86 HydrophobicContact CG1-CD1 3.58Å; L79-L86 HydrophobicContact CD1-CD1 3.89Å; L79-L86 HydrophobicContact CD1-CD2 3.75Å; T83-L86 HydrophobicContact CG2-CB 4.34Å; L86-L88 HydrophobicContact CD1-CD1 4.06Å; L86-L88 HydrophobicContact CD1-CG 3.99Å; L86-L88 HydrophobicContact CD2-CD1 3.88Å; L86-L88 HydrophobicContact CG-CD1 3.86Å; L86-L88 HydrophobicContact CG-CG 4.14Å; L86-F101 HydrophobicContact CD2-CD1 4.29Å; L86-F101 HydrophobicContact CD2-CE1 3.99Å; L86-L104 HydrophobicContact CD2-CD1 3.88Å; L86-L107 HydrophobicContact CB-CD1 3.66Å; L86-L107 HydrophobicContact CB-CD2 4.32Å; L86-A109 PolarHBondContact N-O 3.23Å; L86-A109 VanDerWaalsContact N-O 3.14Å; L86-L110 HydrophobicContact CB-CD1 4.12Å; L86-L110 HydrophobicContact CD2-CD1 3.94Å; L86-L110 HydrophobicContact CG-CD1 4Å; L86-I111 PolarHBondContact O-N 2.96Å
87	D	98.6	Very high	96.7	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.3	176.8	-170	2.4	0	0	0	110.7	V65 Q66 C67 S68 L85 Q89 I111	V65-D87 PolarHBondContact O-N 2.91Å; Q66-D87 PolarHBondContact NE2-OD2 2.91Å; Q66-D87 PolarHBondContact OE1-OD2 2.85Å; C67-D87 WeakPolarHBondContact CA-O 3.47Å; C67-D87 WeakPolarHBondContact CB-O 3.39Å; C67-D87 PolarHBondContact N-O 2.83Å; S68-D87 PolarHBondContact OG-OD2 2.82Å; L85-D87 HydrophobicContact CD2-CB 3.97Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.45Å; D87-Q89 VanDerWaalsContact OD1-CG 3.26Å; D87-Q89 WeakPolarHBondContact OD1-CG 3.37Å; D87-Q89 PolarHBondContact OD1-N 2.88Å; D87-Q89 PolarHBondContact OD2-NE2 2.88Å; D87-Q89 VanDerWaalsContact OD2-NE2 3.17Å; D87-I111 HydrophobicContact CB-CB 4.42Å; D87-I111 HydrophobicContact CB-CD1 4.35Å
88	L	98.4	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.			trans	-127.3	23.3	-178.9	-74.1	164.2	0	0	0	110.6	C67 L72 V75 P76 L86 N91 I93 I111 L112 N115	C67-L88 HydrophobicContact CB-CD2 3.61Å; C67-L88 HydrophobicContact CB-CG 4.48Å; L72-L88 HydrophobicContact CD1-CD2 3.82Å; V75-L88 HydrophobicContact CG1-CD1 4.25Å; P76-L88 HydrophobicContact CG-CD2 4.04Å; L86-L88 HydrophobicContact CD1-CD1 4.06Å; L86-L88 HydrophobicContact CD1-CG 3.99Å; L86-L88 HydrophobicContact CD2-CD1 3.88Å; L86-L88 HydrophobicContact CG-CD1 3.86Å; L86-L88 HydrophobicContact CG-CG 4.14Å; L88-N91 VanDerWaalsContact C-ND2 3.28Å; L88-N91 PolarHBondContact O-ND2 3.44Å; L88-I93 HydrophobicContact CB-CD1 4.12Å; L88-I93 HydrophobicContact CD1-CD1 4.19Å; L88-I93 HydrophobicContact CD2-CD1 4.36Å; L88-I93 HydrophobicContact CG-CD1 4.47Å; L88-I111 PolarHBondContact N-O 3.01Å; L88-L112 HydrophobicContact CB-CD2 3.88Å; L88-L112 HydrophobicContact CD1-CD2 3.92Å; L88-N115 PolarHBondContact O-ND2 3.13Å
89	Q	98.3	Very high	96.9	Very high	70 Å²	70	40.4 Å²	40.4	33%	0.327	22%	0.219	S	C	.	.			trans	-63.6	158.1	-179.7	70.8	-172	-19.4	0	0	114.1	S68 D69 D87 N91 I111 V113	S68-Q89 WeakPolarHBondContact CA-O 3.1Å; S68-Q89 WeakPolarHBondContact OG-CG 3.38Å; S68-Q89 PolarHBondContact OG-NE2 2.71Å; D69-Q89 PolarHBondContact N-O 3.02Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.45Å; D87-Q89 VanDerWaalsContact OD1-CG 3.26Å; D87-Q89 WeakPolarHBondContact OD1-CG 3.37Å; D87-Q89 PolarHBondContact OD1-N 2.88Å; D87-Q89 PolarHBondContact OD2-NE2 2.88Å; D87-Q89 VanDerWaalsContact OD2-NE2 3.17Å; Q89-N91 VanDerWaalsContact C-N 3.29Å; Q89-N91 PolarHBondContact O-N 3.09Å; Q89-N91 PolarHBondContact O-ND2 3.05Å; Q89-I111 HydrophobicContact CB-CG2 4.17Å; Q89-V113 CarbonylContact C-O 3.19Å; Q89-V113 WeakPolarHBondContact CA-O 3.26Å; Q89-V113 HydrophobicContact CB-CB 4.29Å; Q89-V113 WeakPolarHBondContact CB-O 3.36Å
90	N	98.5	Very high	97	Very high	75 Å²	75	41.6 Å²	41.6	40%	0.401	23%	0.226	S	C	.	.	S	Bend	trans	51.7	44.4	179.2	-160	26.5	0	0	0	113.8	D69 V113 N114	D69-N90 WeakPolarHBondContact OD1-CB 3.31Å; D69-N90 PolarHBondContact OD1-ND2 2.66Å; N90-V113 PolarHBondContact N-O 3.4Å; N90-N114 WeakPolarHBondContact CA-O 3.17Å; N90-N114 PolarHBondContact N-O 2.88Å; N90-N114 PolarHBondContact OD1-ND2 3.17Å
91	N	98.6	Very high	97.1	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.048	22%	0.22	C	C	.	.	S	Bend	trans	-114.6	-171.6	175.7	-79.7	-68.1	0	0	0	110.1	C67 L70 G71 L72 L88 Q89 I93 N114 N115	C67-N91 PolarHBondContact O-ND2 3.2Å; L70-N91 PolarHBondContact N-OD1 3.29Å; G71-N91 PolarHBondContact N-OD1 3.06Å; L72-N91 HydrophobicContact CB-CB 4.24Å; L72-N91 WeakPolarHBondContact CB-OD1 3.38Å; L72-N91 PolarHBondContact N-OD1 2.92Å; L88-N91 VanDerWaalsContact C-ND2 3.28Å; L88-N91 PolarHBondContact O-ND2 3.44Å; Q89-N91 VanDerWaalsContact C-N 3.29Å; Q89-N91 PolarHBondContact O-N 3.09Å; Q89-N91 PolarHBondContact O-ND2 3.05Å; N91-I93 HydrophobicContact CB-CG1 4.27Å; N91-N114 PolarHBondContact N-O 2.78Å; N91-N115 WeakPolarHBondContact CA-OD1 3.32Å; N91-N115 WeakPolarHBondContact CB-OD1 3.14Å; N91-N115 PolarHBondContact O-OD1 3.03Å
92	K	98.4	Very high	96.9	Very high	98 Å²	98	42.9 Å²	42.9	43%	0.426	22%	0.223	S	C	.	.			trans	-111.9	15.5	-176	-61	176.4	-164.7	151.2	0	112.8	G71 L72 D73 T94 N115	G71-K92 WeakPolarHBondContact O-CD 3.16Å; G71-K92 PolarHBondContact O-NZ 2.85Å; L72-K92 CarbonylContact O-C 3.53Å; L72-K92 WeakPolarHBondContact O-CA 3.4Å; L72-K92 PolarHBondContact O-N 2.04Å; D73-K92 WeakPolarHBondContact OD1-CB 3.44Å; D73-K92 WeakPolarHBondContact OD1-CD 3.26Å; K92-T94 WeakPolarHBondContact O-CG2 3.27Å; K92-T94 PolarHBondContact O-N 3.02Å; K92-N115 PolarHBondContact N-OD1 2.96Å
93	I	98.6	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.			trans	-57.7	121	-173.2	-55.8	175.7	0	0	0	109.5	L72 D73 V75 L88 N91 L112 N115 K116 I117	L72-I93 PolarHBondContact O-N 3.09Å; D73-I93 WeakPolarHBondContact O-CA 3.17Å; V75-I93 HydrophobicContact CG2-CD1 4.29Å; V75-I93 HydrophobicContact CG2-CG2 4.42Å; L88-I93 HydrophobicContact CB-CD1 4.12Å; L88-I93 HydrophobicContact CD1-CD1 4.19Å; L88-I93 HydrophobicContact CD2-CD1 4.36Å; L88-I93 HydrophobicContact CG-CD1 4.47Å; N91-I93 HydrophobicContact CB-CG1 4.27Å; I93-L112 HydrophobicContact CD1-CD2 4.01Å; I93-N115 HydrophobicContact CB-CB 4.46Å; I93-N115 VanDerWaalsContact CB-OD1 3.31Å; I93-N115 WeakPolarHBondContact CB-OD1 3.31Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.47Å; I93-N115 PolarHBondContact N-OD1 3.06Å; I93-K116 CarbonylContact O-C 3.57Å; I93-K116 WeakPolarHBondContact O-CA 3.5Å; I93-K116 PolarHBondContact O-N 3.24Å; I93-I117 HydrophobicContact CB-CG1 4.24Å; I93-I117 HydrophobicContact CG2-CD1 4.4Å; I93-I117 HydrophobicContact CG2-CG1 4.08Å; I93-I117 VanDerWaalsContact O-CG1 3.26Å; I93-I117 WeakPolarHBondContact O-CG1 3.33Å; I93-I117 PolarHBondContact O-N 3.02Å
94	T	98.2	Very high	96.6	Very high	62 Å²	62	44.1 Å²	44.1	38%	0.38	23%	0.23	S	C	.	.			trans	-98	-26.5	-172.8	53.9	0	0	0	0	114.4	K92 K116 I117 S118	K92-T94 WeakPolarHBondContact O-CG2 3.27Å; K92-T94 PolarHBondContact O-N 3.02Å; T94-K116 WeakPolarHBondContact CA-O 3.47Å; T94-K116 HydrophobicContact CG2-CB 4.29Å; T94-I117 WeakPolarHBondContact O-CA 3.24Å; T94-S118 PolarHBondContact O-N 3.28Å; T94-S118 PolarHBondContact O-OG 3.49Å
95	E	97.9	Very high	96.6	Very high	58 Å²	58	48 Å²	48	27%	0.271	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.9	179.4	61.5	179.8	150.7	0	0	110.7	K97 K119	E95-K97 HydrophobicContact CG-CG 4.44Å; E95-K97 WeakPolarHBondContact OE1-CE 3.34Å; E95-K97 IonicContact OE1-NZ 3.12Å; E95-K97 PolarHBondContact OE1-NZ 3.02Å; E95-K97 IonicContact OE2-NZ 3.28Å; E95-K97 PolarHBondContact OE2-NZ 3.21Å; E95-K97 VanDerWaalsContact OE2-NZ 3.12Å; E95-K119 CarbonylContact C-O 3.39Å; E95-K119 VanDerWaalsContact CA-O 3.23Å; E95-K119 WeakPolarHBondContact CA-O 3.43Å; E95-K119 HydrophobicContact CB-CB 4.21Å
96	I	98.3	Very high	96.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.9	169.9	-48.4	177.9	0	0	0	108.8	D100 F101 L112 I117 K119 I120 S121 A124 F125 L136	I96-D100 HydrophobicContact CG2-CB 4.38Å; I96-F101 HydrophobicContact CD1-CE2 4.37Å; I96-F101 HydrophobicContact CG2-CD2 4.2Å; I96-F101 HydrophobicContact CG2-CE2 3.5Å; I96-F101 VanDerWaalsContact CG2-CE2 3.5Å; I96-F101 HydrophobicContact CG2-CZ 4.18Å; I96-L112 HydrophobicContact CD1-CD1 3.68Å; I96-I117 HydrophobicContact CD1-CD1 4.2Å; I96-I117 HydrophobicContact CD1-CG2 4.36Å; I96-I117 HydrophobicContact CG1-CD1 4.28Å; I96-I117 HydrophobicContact CG1-CG2 4.01Å; I96-K119 PolarHBondContact N-O 2.88Å; I96-I120 HydrophobicContact CB-CG1 4.26Å; I96-I120 HydrophobicContact CB-CG2 4.24Å; I96-I120 HydrophobicContact CD1-CD1 3.86Å; I96-I120 HydrophobicContact CD1-CG1 3.85Å; I96-I120 HydrophobicContact CD1-CG2 4.42Å; I96-I120 HydrophobicContact CG1-CG1 4.08Å; I96-S121 PolarHBondContact O-N 3.35Å; I96-A124 HydrophobicContact CG2-CB 3.78Å; I96-F125 HydrophobicContact CD1-CE1 3.92Å; I96-F125 HydrophobicContact CD1-CZ 3.64Å; I96-L136 HydrophobicContact CD1-CD2 4.45Å
97	K	96.4	Very high	96.5	Very high	81 Å²	81	48 Å²	48	35%	0.352	24%	0.243	S	C	.	.			trans	-105.1	160.8	-174.3	-54.8	174.7	-173.3	-81.4	0	112	E95 G99 D100	E95-K97 HydrophobicContact CG-CG 4.44Å; E95-K97 WeakPolarHBondContact OE1-CE 3.34Å; E95-K97 IonicContact OE1-NZ 3.12Å; E95-K97 PolarHBondContact OE1-NZ 3.02Å; E95-K97 IonicContact OE2-NZ 3.28Å; E95-K97 PolarHBondContact OE2-NZ 3.21Å; E95-K97 VanDerWaalsContact OE2-NZ 3.12Å; K97-G99 PolarHBondContact O-N 2.99Å; K97-D100 PolarHBondContact N-OD2 2.91Å; K97-D100 PolarHBondContact O-N 3.28Å
98	D	93.5	Very high	96.5	Very high	95 Å²	95	50.5 Å²	50.5	51%	0.508	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	120.5	168.5	-60.6	-66	0	0	0	109.7	S121 G123 A124	D98-S121 WeakPolarHBondContact OD1-CB 3.26Å; D98-S121 WeakPolarHBondContact OD2-CB 3.08Å; D98-S121 PolarHBondContact OD2-OG 2.91Å; D98-G123 WeakPolarHBondContact OD1-CA 3.45Å; D98-G123 PolarHBondContact OD1-N 2.98Å; D98-G123 VanDerWaalsContact OD1-N 3.11Å; D98-A124 PolarHBondContact OD1-N 3.24Å
99	G	91.8	Very high	96.5	Very high	33 Å²	33	51 Å²	51	34%	0.34	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	-6.9	-179.2	0	0	0	0	0	116.1	K97 F101 K102	K97-G99 PolarHBondContact O-N 2.99Å; G99-F101 PolarHBondContact O-N 3.43Å; G99-K102 WeakPolarHBondContact O-CB 3.41Å; G99-K102 VanDerWaalsContact O-CG 3.23Å; G99-K102 WeakPolarHBondContact O-CG 3.23Å; G99-K102 PolarHBondContact O-N 3.06Å
100	D	95.8	Very high	96.5	Very high	37 Å²	37	47.7 Å²	47.7	20%	0.198	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.2	174.7	-76.8	-9.8	0	0	0	112	V75 I96 K97	V75-D100 HydrophobicContact CB-CB 4.08Å; V75-D100 HydrophobicContact CG1-CB 4.27Å; V75-D100 HydrophobicContact CG2-CB 4.23Å; I96-D100 HydrophobicContact CG2-CB 4.38Å; K97-D100 PolarHBondContact N-OD2 2.91Å; K97-D100 PolarHBondContact O-N 3.28Å
101	F	96.5	Very high	96.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	25.7	175.6	-54.6	-58.1	0	0	0	113.7	V75 L86 I96 G99 N103 L104 L110 L112 F125 P127 L128	V75-F101 HydrophobicContact CB-CE1 4.49Å; V75-F101 HydrophobicContact CG1-CD1 4.07Å; V75-F101 HydrophobicContact CG1-CE1 3.57Å; V75-F101 HydrophobicContact CG1-CZ 4.27Å; V75-F101 HydrophobicContact CG2-CE1 4.07Å; V75-F101 HydrophobicContact CG2-CZ 3.92Å; L86-F101 HydrophobicContact CD2-CD1 4.29Å; L86-F101 HydrophobicContact CD2-CE1 3.99Å; I96-F101 HydrophobicContact CD1-CE2 4.37Å; I96-F101 HydrophobicContact CG2-CD2 4.2Å; I96-F101 HydrophobicContact CG2-CE2 3.5Å; I96-F101 VanDerWaalsContact CG2-CE2 3.5Å; I96-F101 HydrophobicContact CG2-CZ 4.18Å; G99-F101 PolarHBondContact O-N 3.43Å; F101-N103 PolarHBondContact O-N 3.29Å; F101-L104 HydrophobicContact CB-CD1 4.39Å; F101-L104 HydrophobicContact CD1-CD1 3.95Å; F101-L104 PolarHBondContact O-N 2.78Å; F101-L110 HydrophobicContact CD2-CD2 4.41Å; F101-L110 HydrophobicContact CE1-CD1 4.08Å; F101-L110 HydrophobicContact CE1-CD2 4.08Å; F101-L110 HydrophobicContact CE2-CD2 3.81Å; F101-L110 HydrophobicContact CZ-CD1 4.18Å; F101-L110 HydrophobicContact CZ-CD2 3.63Å; F101-L112 HydrophobicContact CZ-CD1 4.3Å; F101-F125 AromaticContact CD2-CD1 3.96Å; F101-F125 HydrophobicContact CD2-CD1 3.96Å; F101-F125 HydrophobicContact CD2-CE1 4.2Å; F101-F125 AromaticContact CE2-CD1 3.85Å; F101-F125 HydrophobicContact CE2-CD1 3.85Å; F101-F125 AromaticContact CE2-CE1 3.6Å; F101-F125 HydrophobicContact CE2-CE1 3.6Å; F101-F125 HydrophobicContact CZ-CE1 4.49Å; F101-P127 WeakPolarHBondContact O-CB 3.35Å; F101-L128 HydrophobicContact CB-CD1 4.3Å; F101-L128 HydrophobicContact CB-CD2 3.78Å; F101-L128 HydrophobicContact CB-CG 4.11Å; F101-L128 HydrophobicContact CD2-CD1 4.09Å; F101-L128 HydrophobicContact CG-CD1 4.21Å; F101-L128 HydrophobicContact CG-CD2 4.39Å
102	K	89.1	Confident	96.6	Very high	106 Å²	106	44.9 Å²	44.9	46%	0.461	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	142	171.6	69.6	-174.3	178.3	161.7	0	109.5	D78 G99 L104	D78-K102 IonicContact OD1-NZ 2.78Å; D78-K102 PolarHBondContact OD1-NZ 2.97Å; G99-K102 WeakPolarHBondContact O-CB 3.41Å; G99-K102 VanDerWaalsContact O-CG 3.23Å; G99-K102 WeakPolarHBondContact O-CG 3.23Å; G99-K102 PolarHBondContact O-N 3.06Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 3.04Å
103	N	91.4	Very high	96.6	Very high	92 Å²	92	41.7 Å²	41.7	49%	0.492	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-13.4	-179.7	-51.5	-27.4	0	0	0	118.2	P81 F101 K105	P81-N103 HydrophobicContact CG-CB 4.47Å; F101-N103 PolarHBondContact O-N 3.29Å; N103-K105 PolarHBondContact O-N 3.16Å
104	L	96.3	Very high	96.6	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	24%	0.235	C	C	.	.			trans	-76.1	49.4	-179	-63.3	-174.7	0	0	0	114.6	L79 L86 F101 K102 N106 L107 L128	L79-L104 HydrophobicContact CB-CD2 4.13Å; L79-L104 HydrophobicContact CD1-CD1 4.3Å; L86-L104 HydrophobicContact CD2-CD1 3.88Å; F101-L104 HydrophobicContact CB-CD1 4.39Å; F101-L104 HydrophobicContact CD1-CD1 3.95Å; F101-L104 PolarHBondContact O-N 2.78Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 3.04Å; L104-N106 PolarHBondContact O-N 2.93Å; L104-L107 HydrophobicContact CB-CB 4.33Å; L104-L107 HydrophobicContact CD1-CD2 4.33Å; L104-L107 WeakPolarHBondContact O-CB 3.48Å; L104-L107 PolarHBondContact O-N 2.96Å; L104-L128 HydrophobicContact CB-CD2 3.68Å; L104-L128 WeakPolarHBondContact O-CD2 3.36Å
105	K	96.6	Very high	96.6	Very high	126 Å²	126	42.7 Å²	42.7	55%	0.548	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.1	-175.9	-62.3	175.2	-176.7	173.5	0	113.9	N103 V129 K130	N103-K105 PolarHBondContact O-N 3.16Å; K105-V129 HydrophobicContact CB-CG2 4.2Å; K105-K130 WeakPolarHBondContact O-CG 3.46Å
106	N	97.6	Very high	96.6	Very high	53 Å²	53	44.9 Å²	44.9	28%	0.283	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	3.2	-180	-68.1	-60	0	0	0	114.1	P81 T83 T84 L104 H108 K130	P81-N106 PolarHBondContact O-ND2 3.12Å; T83-N106 CarbonylContact O-C 3.52Å; T84-N106 WeakPolarHBondContact CA-O 3.29Å; L104-N106 PolarHBondContact O-N 2.93Å; N106-H108 PolarHBondContact O-CE1 2.84Å; N106-H108 PolarHBondContact O-N 2.84Å; N106-H108 PolarHBondContact O-ND1 3.14Å; N106-K130 PolarHBondContact OD1-NZ 2.61Å
107	L	98.4	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.			trans	-71.5	124.5	-178.5	-160	70.9	0	0	0	111.1	T83 L86 L104 L110 L128 K130 L131	T83-L107 HydrophobicContact CG2-CD1 3.83Å; T83-L107 WeakPolarHBondContact O-CA 3.3Å; T83-L107 PolarHBondContact O-N 3.19Å; L86-L107 HydrophobicContact CB-CD1 3.66Å; L86-L107 HydrophobicContact CB-CD2 4.32Å; L104-L107 HydrophobicContact CB-CB 4.33Å; L104-L107 HydrophobicContact CD1-CD2 4.33Å; L104-L107 WeakPolarHBondContact O-CB 3.48Å; L104-L107 PolarHBondContact O-N 2.96Å; L107-L110 HydrophobicContact CD2-CB 3.97Å; L107-L110 HydrophobicContact CD2-CD1 4.33Å; L107-L110 HydrophobicContact CD2-CD2 4.45Å; L107-L110 HydrophobicContact CD2-CG 4.48Å; L107-L128 HydrophobicContact CB-CD2 4.01Å; L107-L128 HydrophobicContact CD2-CD1 4.16Å; L107-L128 HydrophobicContact CD2-CD2 3.72Å; L107-K130 CarbonylContact O-C 3.08Å; L107-L131 HydrophobicContact CD2-CD1 4.18Å; L107-L131 HydrophobicContact CG-CD1 4.21Å; L107-L131 WeakPolarHBondContact O-CA 3.29Å; L107-L131 PolarHBondContact O-N 3.34Å; L107-L131 VanDerWaalsContact O-N 3.16Å
108	H	98.3	Very high	96.7	Very high	60 Å²	60	43.9 Å²	43.9	28%	0.278	23%	0.231	S	C	.	.			trans	-106.3	-28.9	176.5	-62	72.6	0	0	0	111.7	T84 N106 E132 R133	T84-H108 PolarHBondContact O-N 2.89Å; N106-H108 PolarHBondContact O-CE1 2.84Å; N106-H108 PolarHBondContact O-N 2.84Å; N106-H108 PolarHBondContact O-ND1 3.14Å; H108-E132 HydrophobicContact CB-CG 4.42Å; H108-E132 PolarHBondContact O-N 3.33Å; H108-R133 PolarHBondContact O-N 3.43Å
109	A	98.7	Very high	96.9	Very high	10 Å²	10	45.2 Å²	45.2	8%	0.083	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.4	176.3	0	0	0	0	0	111.8	T84 L85 L86 R133	T84-A109 PolarHBondContact O-N 3.15Å; L85-A109 HydrophobicContact CD1-CB 4.34Å; L85-A109 HydrophobicContact CG-CB 4.13Å; L86-A109 PolarHBondContact N-O 3.23Å; L86-A109 VanDerWaalsContact N-O 3.14Å; A109-R133 WeakPolarHBondContact CA-O 3.44Å; A109-R133 HydrophobicContact CB-CB 4.26Å
110	L	98.8	Very high	97.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.6	175.7	177.3	54.7	0	0	0	109.7	L86 F101 L107 L112 F125 L128 L131 R133 L134 Y135	L86-L110 HydrophobicContact CB-CD1 4.12Å; L86-L110 HydrophobicContact CD2-CD1 3.94Å; L86-L110 HydrophobicContact CG-CD1 4Å; F101-L110 HydrophobicContact CD2-CD2 4.41Å; F101-L110 HydrophobicContact CE1-CD1 4.08Å; F101-L110 HydrophobicContact CE1-CD2 4.08Å; F101-L110 HydrophobicContact CE2-CD2 3.81Å; F101-L110 HydrophobicContact CZ-CD1 4.18Å; F101-L110 HydrophobicContact CZ-CD2 3.63Å; L107-L110 HydrophobicContact CD2-CB 3.97Å; L107-L110 HydrophobicContact CD2-CD1 4.33Å; L107-L110 HydrophobicContact CD2-CD2 4.45Å; L107-L110 HydrophobicContact CD2-CG 4.48Å; L110-L112 HydrophobicContact CD1-CD1 4.15Å; L110-L112 HydrophobicContact CD1-CG 4.03Å; L110-L112 HydrophobicContact CD2-CD1 3.89Å; L110-L112 HydrophobicContact CG-CD1 3.84Å; L110-L112 HydrophobicContact CG-CG 4.1Å; L110-F125 HydrophobicContact CD2-CD1 4.17Å; L110-F125 HydrophobicContact CD2-CE1 3.75Å; L110-L128 HydrophobicContact CD2-CD1 3.9Å; L110-L131 HydrophobicContact CB-CD1 3.86Å; L110-R133 PolarHBondContact N-O 3.27Å; L110-L134 HydrophobicContact CB-CD1 4.24Å; L110-L134 HydrophobicContact CD2-CD1 3.99Å; L110-L134 HydrophobicContact CG-CD1 4.16Å; L110-Y135 PolarHBondContact O-N 2.89Å
111	I	98.8	Very high	97.2	Very high	26 Å²	26	44.2 Å²	44.2	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.6	-178.8	-47.5	179.6	0	0	0	108.6	L85 L86 D87 L88 Q89 V113 Y135	L85-I111 HydrophobicContact CD2-CD1 4.33Å; L86-I111 PolarHBondContact O-N 2.96Å; D87-I111 HydrophobicContact CB-CB 4.42Å; D87-I111 HydrophobicContact CB-CD1 4.35Å; L88-I111 PolarHBondContact N-O 3.01Å; Q89-I111 HydrophobicContact CB-CG2 4.17Å; I111-V113 HydrophobicContact CG2-CB 4.19Å; I111-V113 HydrophobicContact CG2-CG2 3.85Å; I111-Y135 HydrophobicContact CG1-CD2 4.01Å; I111-Y135 HydrophobicContact CG2-CD2 4.34Å
112	L	98.6	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.			trans	-124.1	26.5	178.7	-71.2	162.3	0	0	0	110.5	L88 I93 I96 F101 L110 N115 I117 Y135 L136 N139	L88-L112 HydrophobicContact CB-CD2 3.88Å; L88-L112 HydrophobicContact CD1-CD2 3.92Å; I93-L112 HydrophobicContact CD1-CD2 4.01Å; I96-L112 HydrophobicContact CD1-CD1 3.68Å; F101-L112 HydrophobicContact CZ-CD1 4.3Å; L110-L112 HydrophobicContact CD1-CD1 4.15Å; L110-L112 HydrophobicContact CD1-CG 4.03Å; L110-L112 HydrophobicContact CD2-CD1 3.89Å; L110-L112 HydrophobicContact CG-CD1 3.84Å; L110-L112 HydrophobicContact CG-CG 4.1Å; L112-N115 PolarHBondContact O-ND2 2.95Å; L112-I117 HydrophobicContact CB-CD1 3.87Å; L112-I117 HydrophobicContact CD1-CD1 4.24Å; L112-I117 HydrophobicContact CD2-CD1 4.15Å; L112-I117 HydrophobicContact CG-CD1 4.32Å; L112-Y135 CarbonylContact C-O 3.57Å; L112-Y135 WeakPolarHBondContact CA-O 3.39Å; L112-Y135 PolarHBondContact N-O 3.01Å; L112-L136 HydrophobicContact CB-CD2 4.05Å; L112-L136 HydrophobicContact CD1-CD2 3.8Å; L112-N139 PolarHBondContact O-ND2 2.9Å
113	V	98.8	Very high	96.9	Very high	31 Å²	31	43.3 Å²	43.3	19%	0.188	23%	0.23	C	C	.	.			trans	-67.9	143	-173.7	176.8	0	0	0	0	110.7	Q89 N90 I111 N115 S137	Q89-V113 CarbonylContact C-O 3.19Å; Q89-V113 WeakPolarHBondContact CA-O 3.26Å; Q89-V113 HydrophobicContact CB-CB 4.29Å; Q89-V113 WeakPolarHBondContact CB-O 3.36Å; N90-V113 PolarHBondContact N-O 3.4Å; I111-V113 HydrophobicContact CG2-CB 4.19Å; I111-V113 HydrophobicContact CG2-CG2 3.85Å; V113-N115 PolarHBondContact O-ND2 2.9Å; V113-S137 VanDerWaalsContact CA-O 3.24Å; V113-S137 WeakPolarHBondContact CA-O 2.84Å
114	N	98.6	Very high	97.2	Very high	72 Å²	72	39 Å²	39	39%	0.385	21%	0.207	S	C	.	.	S	Bend	trans	57.1	62.8	178.5	-163.5	38.9	0	0	0	111.8	N90 N91 S137 K138	N90-N114 WeakPolarHBondContact CA-O 3.17Å; N90-N114 PolarHBondContact N-O 2.88Å; N90-N114 PolarHBondContact OD1-ND2 3.17Å; N91-N114 PolarHBondContact N-O 2.78Å; N114-S137 PolarHBondContact N-O 3.2Å; N114-K138 CarbonylContact C-O 3.57Å; N114-K138 WeakPolarHBondContact CA-O 3.21Å; N114-K138 HydrophobicContact CB-CB 4.07Å; N114-K138 HydrophobicContact CB-CD 4.18Å; N114-K138 PolarHBondContact N-O 3.48Å
115	N	98.8	Very high	97.2	Very high	10 Å²	10	39 Å²	39	5%	0.053	21%	0.207	C	C	.	.	S	Bend	trans	-128.9	-168.4	174.5	-89.1	-92.5	0	0	0	109.1	L88 N91 K92 I93 L112 V113 I117 K138 N139	L88-N115 PolarHBondContact O-ND2 3.13Å; N91-N115 WeakPolarHBondContact CA-OD1 3.32Å; N91-N115 WeakPolarHBondContact CB-OD1 3.14Å; N91-N115 PolarHBondContact O-OD1 3.03Å; K92-N115 PolarHBondContact N-OD1 2.96Å; I93-N115 HydrophobicContact CB-CB 4.46Å; I93-N115 VanDerWaalsContact CB-OD1 3.31Å; I93-N115 WeakPolarHBondContact CB-OD1 3.31Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.47Å; I93-N115 PolarHBondContact N-OD1 3.06Å; L112-N115 PolarHBondContact O-ND2 2.95Å; V113-N115 PolarHBondContact O-ND2 2.9Å; N115-I117 HydrophobicContact CB-CD1 4.13Å; N115-I117 HydrophobicContact CB-CG1 3.96Å; N115-K138 PolarHBondContact N-O 3.31Å; N115-N139 WeakPolarHBondContact CA-OD1 3.32Å; N115-N139 WeakPolarHBondContact CB-OD1 3.28Å; N115-N139 PolarHBondContact O-OD1 2.93Å
116	K	98.5	Very high	97	Very high	105 Å²	105	36.9 Å²	36.9	46%	0.457	21%	0.205	S	C	.	.			trans	-114.9	27.5	-179.5	-60.8	-173.7	178.9	-175.2	0	111.8	I93 T94 S118 N139	I93-K116 CarbonylContact O-C 3.57Å; I93-K116 WeakPolarHBondContact O-CA 3.5Å; I93-K116 PolarHBondContact O-N 3.24Å; T94-K116 WeakPolarHBondContact CA-O 3.47Å; T94-K116 HydrophobicContact CG2-CB 4.29Å; K116-S118 PolarHBondContact O-N 3.33Å; K116-N139 PolarHBondContact N-OD1 3.35Å
117	I	98.7	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.			trans	-70.2	109.6	-169.3	-54.7	168.3	0	0	0	108.6	I93 T94 I96 L112 N115 I120 L136 N139 Q140 L141	I93-I117 HydrophobicContact CB-CG1 4.24Å; I93-I117 HydrophobicContact CG2-CD1 4.4Å; I93-I117 HydrophobicContact CG2-CG1 4.08Å; I93-I117 VanDerWaalsContact O-CG1 3.26Å; I93-I117 WeakPolarHBondContact O-CG1 3.33Å; I93-I117 PolarHBondContact O-N 3.02Å; T94-I117 WeakPolarHBondContact O-CA 3.24Å; I96-I117 HydrophobicContact CD1-CD1 4.2Å; I96-I117 HydrophobicContact CD1-CG2 4.36Å; I96-I117 HydrophobicContact CG1-CD1 4.28Å; I96-I117 HydrophobicContact CG1-CG2 4.01Å; L112-I117 HydrophobicContact CB-CD1 3.87Å; L112-I117 HydrophobicContact CD1-CD1 4.24Å; L112-I117 HydrophobicContact CD2-CD1 4.15Å; L112-I117 HydrophobicContact CG-CD1 4.32Å; N115-I117 HydrophobicContact CB-CD1 4.13Å; N115-I117 HydrophobicContact CB-CG1 3.96Å; I117-I120 HydrophobicContact CG2-CD1 4.25Å; I117-I120 HydrophobicContact CG2-CG1 3.81Å; I117-L136 HydrophobicContact CD1-CD2 4.34Å; I117-N139 HydrophobicContact CB-CB 4.33Å; I117-N139 VanDerWaalsContact CB-OD1 3.27Å; I117-N139 WeakPolarHBondContact CB-OD1 3.43Å; I117-N139 VanDerWaalsContact CG1-OD1 3.26Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.48Å; I117-N139 PolarHBondContact N-OD1 3.05Å; I117-Q140 CarbonylContact O-C 3.49Å; I117-Q140 VanDerWaalsContact O-C 3.27Å; I117-Q140 WeakPolarHBondContact O-CA 3.44Å; I117-Q140 PolarHBondContact O-N 3.09Å; I117-L141 HydrophobicContact CB-CD2 4.44Å; I117-L141 HydrophobicContact CG2-CD2 3.86Å; I117-L141 WeakPolarHBondContact O-CD2 3.5Å; I117-L141 PolarHBondContact O-N 2.97Å
118	S	97.8	Very high	96.9	Very high	60 Å²	60	36.4 Å²	36.4	42%	0.42	20%	0.204	S	C	.	.			trans	-105.1	-17.3	-179.3	61.1	0	0	0	0	112.8	T94 K116	T94-S118 PolarHBondContact O-N 3.28Å; T94-S118 PolarHBondContact O-OG 3.49Å; K116-S118 PolarHBondContact O-N 3.33Å
119	K	97.1	Very high	96.8	Very high	124 Å²	124	37.7 Å²	37.7	54%	0.539	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137	-175.9	-176	-175.6	175.4	-167.3	0	111	E95 I96	E95-K119 CarbonylContact C-O 3.39Å; E95-K119 VanDerWaalsContact CA-O 3.23Å; E95-K119 WeakPolarHBondContact CA-O 3.43Å; E95-K119 HydrophobicContact CB-CB 4.21Å; I96-K119 PolarHBondContact N-O 2.88Å
120	I	97.9	Very high	96.8	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.128	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.8	171.8	-59.9	177.9	0	0	0	107.4	I96 I117 A124 F125 L136 L141 P145	I96-I120 HydrophobicContact CB-CG1 4.26Å; I96-I120 HydrophobicContact CB-CG2 4.24Å; I96-I120 HydrophobicContact CD1-CD1 3.86Å; I96-I120 HydrophobicContact CD1-CG1 3.85Å; I96-I120 HydrophobicContact CD1-CG2 4.42Å; I96-I120 HydrophobicContact CG1-CG1 4.08Å; I117-I120 HydrophobicContact CG2-CD1 4.25Å; I117-I120 HydrophobicContact CG2-CG1 3.81Å; I120-A124 HydrophobicContact CG2-CB 4.1Å; I120-F125 HydrophobicContact CD1-CE2 4.03Å; I120-F125 HydrophobicContact CD1-CZ 4.04Å; I120-F125 HydrophobicContact CG2-CD2 4.32Å; I120-F125 HydrophobicContact CG2-CE2 3.75Å; I120-F125 HydrophobicContact CG2-CZ 4.18Å; I120-L136 HydrophobicContact CD1-CD1 3.99Å; I120-L136 HydrophobicContact CD1-CD2 4.06Å; I120-L141 HydrophobicContact CD1-CD1 4.12Å; I120-L141 HydrophobicContact CD1-CD2 3.71Å; I120-L141 HydrophobicContact CG1-CD2 3.86Å; I120-P145 HydrophobicContact CB-CB 4.32Å; I120-P145 HydrophobicContact CD1-CB 4.13Å; I120-P145 HydrophobicContact CD1-CG 4.31Å; I120-P145 HydrophobicContact CG2-CB 4.01Å
121	S	96.3	Very high	96.8	Very high	24 Å²	24	41.5 Å²	41.5	17%	0.168	23%	0.231	C	C	.	.			trans	-63	136	173.4	-107.5	0	0	0	0	111.4	I96 D98 G123 A124	I96-S121 PolarHBondContact O-N 3.35Å; D98-S121 WeakPolarHBondContact OD1-CB 3.26Å; D98-S121 WeakPolarHBondContact OD2-CB 3.08Å; D98-S121 PolarHBondContact OD2-OG 2.91Å; S121-G123 PolarHBondContact O-N 3.49Å; S121-A124 VanDerWaalsContact O-CB 3.3Å; S121-A124 WeakPolarHBondContact O-CB 3.23Å; S121-A124 PolarHBondContact O-N 3.16Å
122	P	91.5	Very high	96.8	Very high	63 Å²	63	42.7 Å²	42.7	41%	0.409	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.4	-179	-26.3	35.4	0	0	0	116.3	E146 K147	P122-E146 HydrophobicContact CB-CB 4.42Å; P122-K147 WeakPolarHBondContact O-CB 3.33Å; P122-K147 WeakPolarHBondContact O-CD 3.39Å
123	G	88.1	Confident	96.8	Very high	23 Å²	23	47 Å²	47	24%	0.237	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-8.9	173	0	0	0	0	0	114.4	D98 S121 F125 T126	D98-G123 WeakPolarHBondContact OD1-CA 3.45Å; D98-G123 PolarHBondContact OD1-N 2.98Å; D98-G123 VanDerWaalsContact OD1-N 3.11Å; S121-G123 PolarHBondContact O-N 3.49Å; G123-F125 PolarHBondContact O-N 3.29Å; G123-F125 VanDerWaalsContact O-N 3.17Å; G123-T126 WeakPolarHBondContact CA-OG1 3.48Å; G123-T126 VanDerWaalsContact O-CB 3.25Å; G123-T126 WeakPolarHBondContact O-CB 3.34Å; G123-T126 PolarHBondContact O-N 3.41Å; G123-T126 PolarHBondContact O-OG1 3.29Å
124	A	96.2	Very high	96.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.6	-163	0	0	0	0	0	114.8	I96 D98 I120 S121 P127	I96-A124 HydrophobicContact CG2-CB 3.78Å; D98-A124 PolarHBondContact OD1-N 3.24Å; I120-A124 HydrophobicContact CG2-CB 4.1Å; S121-A124 VanDerWaalsContact O-CB 3.3Å; S121-A124 WeakPolarHBondContact O-CB 3.23Å; S121-A124 PolarHBondContact O-N 3.16Å; A124-P127 WeakPolarHBondContact O-CD 3.16Å
125	F	96.7	Very high	96.8	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.018	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.3	-179.8	-58	-54.8	0	0	0	114.2	I96 F101 L110 I120 G123 P127 L128 L134 L136 P145 P149	I96-F125 HydrophobicContact CD1-CE1 3.92Å; I96-F125 HydrophobicContact CD1-CZ 3.64Å; F101-F125 AromaticContact CD2-CD1 3.96Å; F101-F125 HydrophobicContact CD2-CD1 3.96Å; F101-F125 HydrophobicContact CD2-CE1 4.2Å; F101-F125 AromaticContact CE2-CD1 3.85Å; F101-F125 HydrophobicContact CE2-CD1 3.85Å; F101-F125 AromaticContact CE2-CE1 3.6Å; F101-F125 HydrophobicContact CE2-CE1 3.6Å; F101-F125 HydrophobicContact CZ-CE1 4.49Å; L110-F125 HydrophobicContact CD2-CD1 4.17Å; L110-F125 HydrophobicContact CD2-CE1 3.75Å; I120-F125 HydrophobicContact CD1-CE2 4.03Å; I120-F125 HydrophobicContact CD1-CZ 4.04Å; I120-F125 HydrophobicContact CG2-CD2 4.32Å; I120-F125 HydrophobicContact CG2-CE2 3.75Å; I120-F125 HydrophobicContact CG2-CZ 4.18Å; G123-F125 PolarHBondContact O-N 3.29Å; G123-F125 VanDerWaalsContact O-N 3.17Å; F125-P127 VanDerWaalsContact C-N 3.32Å; F125-L128 HydrophobicContact CB-CD1 4.35Å; F125-L128 HydrophobicContact CD1-CD1 3.81Å; F125-L128 WeakPolarHBondContact O-CB 3.49Å; F125-L128 PolarHBondContact O-N 2.61Å; F125-L134 HydrophobicContact CD2-CD2 4.13Å; F125-L134 HydrophobicContact CE1-CD1 4.03Å; F125-L134 HydrophobicContact CE1-CD2 4.5Å; F125-L134 HydrophobicContact CE2-CD2 3.81Å; F125-L134 HydrophobicContact CZ-CD1 3.95Å; F125-L134 HydrophobicContact CZ-CD2 4.01Å; F125-L136 HydrophobicContact CE2-CD1 4.49Å; F125-L136 HydrophobicContact CZ-CD1 4.39Å; F125-L136 HydrophobicContact CZ-CD2 4.45Å; F125-P145 HydrophobicContact CD2-CB 4.24Å; F125-P145 HydrophobicContact CD2-CG 4.44Å; F125-P145 HydrophobicContact CE2-CB 3.85Å; F125-P145 HydrophobicContact CE2-CG 3.89Å; F125-P149 HydrophobicContact CB-CG 4.19Å
126	T	93.9	Very high	96.8	Very high	83 Å²	83	43.9 Å²	43.9	51%	0.509	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.2	-177.8	-43.1	0	0	0	0	114.6	G123 L128	G123-T126 WeakPolarHBondContact CA-OG1 3.48Å; G123-T126 VanDerWaalsContact O-CB 3.25Å; G123-T126 WeakPolarHBondContact O-CB 3.34Å; G123-T126 PolarHBondContact O-N 3.41Å; G123-T126 PolarHBondContact O-OG1 3.29Å; T126-L128 PolarHBondContact O-N 3.19Å
127	P	95.8	Very high	96.8	Very high	42 Å²	42	39.6 Å²	39.6	27%	0.273	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.5	176.6	-22.8	35.2	0	0	0	115	F101 A124 F125 V129	F101-P127 WeakPolarHBondContact O-CB 3.35Å; A124-P127 WeakPolarHBondContact O-CD 3.16Å; F125-P127 VanDerWaalsContact C-N 3.32Å; P127-V129 PolarHBondContact O-N 2.94Å
128	L	97.5	Very high	96.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.			trans	-83.2	58.8	-171.3	-56.9	179.6	0	0	0	111.8	F101 L104 L107 L110 F125 T126 K130 L131 P149	F101-L128 HydrophobicContact CB-CD1 4.3Å; F101-L128 HydrophobicContact CB-CD2 3.78Å; F101-L128 HydrophobicContact CB-CG 4.11Å; F101-L128 HydrophobicContact CD2-CD1 4.09Å; F101-L128 HydrophobicContact CG-CD1 4.21Å; F101-L128 HydrophobicContact CG-CD2 4.39Å; L104-L128 HydrophobicContact CB-CD2 3.68Å; L104-L128 WeakPolarHBondContact O-CD2 3.36Å; L107-L128 HydrophobicContact CB-CD2 4.01Å; L107-L128 HydrophobicContact CD2-CD1 4.16Å; L107-L128 HydrophobicContact CD2-CD2 3.72Å; L110-L128 HydrophobicContact CD2-CD1 3.9Å; F125-L128 HydrophobicContact CB-CD1 4.35Å; F125-L128 HydrophobicContact CD1-CD1 3.81Å; F125-L128 WeakPolarHBondContact O-CB 3.49Å; F125-L128 PolarHBondContact O-N 2.61Å; T126-L128 PolarHBondContact O-N 3.19Å; L128-K130 PolarHBondContact O-N 2.75Å; L128-L131 HydrophobicContact CB-CB 3.97Å; L128-L131 HydrophobicContact CB-CD2 4.39Å; L128-L131 HydrophobicContact CD1-CD1 4.47Å; L128-L131 HydrophobicContact CD1-CD2 3.97Å; L128-L131 WeakPolarHBondContact O-CB 3.24Å; L128-L131 PolarHBondContact O-N 2.81Å; L128-P149 HydrophobicContact CB-CG 4.21Å
129	V	96.8	Very high	96.9	Very high	87 Å²	87	41.1 Å²	41.1	53%	0.527	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.3	-168.9	-65.5	0	0	0	0	115.3	K105 P127 T151	K105-V129 HydrophobicContact CB-CG2 4.2Å; P127-V129 PolarHBondContact O-N 2.94Å; V129-T151 WeakPolarHBondContact O-CG2 3.44Å; V129-T151 PolarHBondContact O-OG1 2.94Å
130	K	98.2	Very high	96.9	Very high	92 Å²	92	39 Å²	39	40%	0.4	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	7.9	176.4	-65.3	-173.1	-169.3	168.5	0	114.6	K105 N106 L107 L128 E132	K105-K130 WeakPolarHBondContact O-CG 3.46Å; N106-K130 PolarHBondContact OD1-NZ 2.61Å; L107-K130 CarbonylContact O-C 3.08Å; L128-K130 PolarHBondContact O-N 2.75Å; K130-E132 PolarHBondContact O-N 2.7Å
131	L	98.6	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.			trans	-66.1	121.5	-173.1	-165.1	71.7	0	0	0	111.7	L107 L110 L128 L134 P149 T151 L152	L107-L131 HydrophobicContact CD2-CD1 4.18Å; L107-L131 HydrophobicContact CG-CD1 4.21Å; L107-L131 WeakPolarHBondContact O-CA 3.29Å; L107-L131 PolarHBondContact O-N 3.34Å; L107-L131 VanDerWaalsContact O-N 3.16Å; L110-L131 HydrophobicContact CB-CD1 3.86Å; L128-L131 HydrophobicContact CB-CB 3.97Å; L128-L131 HydrophobicContact CB-CD2 4.39Å; L128-L131 HydrophobicContact CD1-CD1 4.47Å; L128-L131 HydrophobicContact CD1-CD2 3.97Å; L128-L131 WeakPolarHBondContact O-CB 3.24Å; L128-L131 PolarHBondContact O-N 2.81Å; L131-L134 HydrophobicContact CD2-CB 4.14Å; L131-L134 HydrophobicContact CD2-CD1 4.44Å; L131-P149 HydrophobicContact CB-CB 4.19Å; L131-P149 HydrophobicContact CB-CG 4.01Å; L131-P149 HydrophobicContact CD2-CG 4.13Å; L131-T151 CarbonylContact O-C 3.54Å; L131-L152 HydrophobicContact CD2-CD1 4.04Å; L131-L152 HydrophobicContact CG-CD1 4.05Å; L131-L152 VanDerWaalsContact O-CA 3.24Å; L131-L152 WeakPolarHBondContact O-CA 3.14Å; L131-L152 PolarHBondContact O-N 3.02Å; L131-L152 VanDerWaalsContact O-N 3.12Å
132	E	98.6	Very high	97	Very high	51 Å²	51	42.7 Å²	42.7	24%	0.238	22%	0.218	C	C	.	.			trans	-102.3	-36.3	176.8	-54.2	-172.7	134.9	0	0	111.8	H108 K130 L152 Q153 E154	H108-E132 HydrophobicContact CB-CG 4.42Å; H108-E132 PolarHBondContact O-N 3.33Å; K130-E132 PolarHBondContact O-N 2.7Å; E132-L152 WeakPolarHBondContact O-CD1 3.32Å; E132-Q153 HydrophobicContact CB-CG 4.34Å; E132-Q153 VanDerWaalsContact CD-NE2 3.26Å; E132-Q153 WeakPolarHBondContact O-CA 3.21Å; E132-Q153 PolarHBondContact O-N 3.25Å; E132-Q153 PolarHBondContact OE1-NE2 3Å; E132-E154 PolarHBondContact O-N 3.03Å
133	R	98.8	Very high	97.2	Very high	90 Å²	90	43.6 Å²	43.6	34%	0.34	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.6	-174.6	-52.1	-175.6	-167.8	67.6	15.8	111.4	H108 A109 L110 Y135 E154	H108-R133 PolarHBondContact O-N 3.43Å; A109-R133 WeakPolarHBondContact CA-O 3.44Å; A109-R133 HydrophobicContact CB-CB 4.26Å; L110-R133 PolarHBondContact N-O 3.27Å; R133-Y135 HydrophobicContact CB-CE1 4.05Å; R133-E154 WeakPolarHBondContact CA-O 3.47Å; R133-E154 HydrophobicContact CG-CB 4.23Å
134	L	98.7	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	109.7	177.2	178.5	55.9	0	0	0	109.8	L110 F125 L131 L136 M148 L152 E154 L155 R156	L110-L134 HydrophobicContact CB-CD1 4.24Å; L110-L134 HydrophobicContact CD2-CD1 3.99Å; L110-L134 HydrophobicContact CG-CD1 4.16Å; F125-L134 HydrophobicContact CD2-CD2 4.13Å; F125-L134 HydrophobicContact CE1-CD1 4.03Å; F125-L134 HydrophobicContact CE1-CD2 4.5Å; F125-L134 HydrophobicContact CE2-CD2 3.81Å; F125-L134 HydrophobicContact CZ-CD1 3.95Å; F125-L134 HydrophobicContact CZ-CD2 4.01Å; L131-L134 HydrophobicContact CD2-CB 4.14Å; L131-L134 HydrophobicContact CD2-CD1 4.44Å; L134-L136 HydrophobicContact CD1-CD1 4.21Å; L134-L136 HydrophobicContact CD1-CD2 4.4Å; L134-L136 HydrophobicContact CD1-CG 4.02Å; L134-L136 HydrophobicContact CD2-CD1 3.96Å; L134-L136 HydrophobicContact CG-CD1 3.91Å; L134-L136 HydrophobicContact CG-CG 4.07Å; L134-M148 HydrophobicContact CD2-SD 4.27Å; L134-L152 HydrophobicContact CB-CD1 3.7Å; L134-L152 HydrophobicContact CB-CD2 4.32Å; L134-E154 PolarHBondContact N-O 2.83Å; L134-L155 HydrophobicContact CB-CD1 4.17Å; L134-L155 HydrophobicContact CD2-CD1 4.05Å; L134-L155 HydrophobicContact CG-CD1 4.06Å; L134-R156 PolarHBondContact O-N 3.41Å; L134-R156 VanDerWaalsContact O-N 3.09Å
135	Y	98.9	Very high	97.5	Very high	47 Å²	47	43.1 Å²	43.1	18%	0.184	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.2	-179.8	-56.3	-21	0	0	0	110.4	L110 I111 L112 R133 E154 R156	L110-Y135 PolarHBondContact O-N 2.89Å; I111-Y135 HydrophobicContact CG1-CD2 4.01Å; I111-Y135 HydrophobicContact CG2-CD2 4.34Å; L112-Y135 CarbonylContact C-O 3.57Å; L112-Y135 WeakPolarHBondContact CA-O 3.39Å; L112-Y135 PolarHBondContact N-O 3.01Å; R133-Y135 HydrophobicContact CB-CE1 4.05Å; Y135-E154 HydrophobicContact CE1-CG 4Å; Y135-E154 PolarHBondContact OH-OE2 3.16Å; Y135-R156 HydrophobicContact CD1-CB 3.92Å; Y135-R156 HydrophobicContact CD1-CG 3.74Å; Y135-R156 HydrophobicContact CE1-CG 3.9Å
136	L	98.7	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.			trans	-114.1	14.9	179.9	-69.4	166.1	0	0	0	111.8	I96 L112 I117 I120 F125 L134 N139 L141 P145 R156 N160	I96-L136 HydrophobicContact CD1-CD2 4.45Å; L112-L136 HydrophobicContact CB-CD2 4.05Å; L112-L136 HydrophobicContact CD1-CD2 3.8Å; I117-L136 HydrophobicContact CD1-CD2 4.34Å; I120-L136 HydrophobicContact CD1-CD1 3.99Å; I120-L136 HydrophobicContact CD1-CD2 4.06Å; F125-L136 HydrophobicContact CE2-CD1 4.49Å; F125-L136 HydrophobicContact CZ-CD1 4.39Å; F125-L136 HydrophobicContact CZ-CD2 4.45Å; L134-L136 HydrophobicContact CD1-CD1 4.21Å; L134-L136 HydrophobicContact CD1-CD2 4.4Å; L134-L136 HydrophobicContact CD1-CG 4.02Å; L134-L136 HydrophobicContact CD2-CD1 3.96Å; L134-L136 HydrophobicContact CG-CD1 3.91Å; L134-L136 HydrophobicContact CG-CG 4.07Å; L136-N139 WeakPolarHBondContact O-CB 3.18Å; L136-N139 PolarHBondContact O-ND2 3.11Å; L136-L141 HydrophobicContact CB-CD1 3.88Å; L136-L141 HydrophobicContact CD1-CD1 3.99Å; L136-L141 HydrophobicContact CD2-CD1 4.44Å; L136-L141 HydrophobicContact CG-CD1 4.33Å; L136-P145 HydrophobicContact CD1-CG 4.08Å; L136-R156 CarbonylContact C-O 3.34Å; L136-R156 PolarHBondContact N-O 2.97Å; L136-N160 PolarHBondContact O-ND2 3.25Å
137	S	98.8	Very high	97.2	Very high	15 Å²	15	48.8 Å²	48.8	11%	0.105	23%	0.228	C	C	.	.			trans	-66.8	153	-176.6	-56.4	0	0	0	0	112.2	V113 N114 N139 R156 H158	V113-S137 VanDerWaalsContact CA-O 3.24Å; V113-S137 WeakPolarHBondContact CA-O 2.84Å; N114-S137 PolarHBondContact N-O 3.2Å; S137-N139 PolarHBondContact O-ND2 2.8Å; S137-R156 PolarHBondContact N-O 3.17Å; S137-R156 VanDerWaalsContact N-O 3.13Å; S137-R156 WeakPolarHBondContact OG-CB 3.04Å; S137-R156 PolarHBondContact OG-O 3.09Å; S137-H158 CarbonylContact C-O 3.57Å; S137-H158 WeakPolarHBondContact CA-O 3.41Å; S137-H158 WeakPolarHBondContact CB-O 3.4Å; S137-H158 PolarHBondContact OG-N 2.69Å; S137-H158 VanDerWaalsContact OG-N 3.09Å
138	K	98.6	Very high	97.1	Very high	82 Å²	82	47.1 Å²	47.1	36%	0.357	22%	0.217	S	C	.	.	S	Bend	trans	56.5	66	-172.8	-63.1	179.4	173.5	-70.9	0	111.5	N114 N115 H158 E159	N114-K138 CarbonylContact C-O 3.57Å; N114-K138 WeakPolarHBondContact CA-O 3.21Å; N114-K138 HydrophobicContact CB-CB 4.07Å; N114-K138 HydrophobicContact CB-CD 4.18Å; N114-K138 PolarHBondContact N-O 3.48Å; N115-K138 PolarHBondContact N-O 3.31Å; K138-H158 PolarHBondContact N-O 3Å; K138-E159 WeakPolarHBondContact CA-O 3.45Å; K138-E159 WeakPolarHBondContact CE-OE2 3.48Å; K138-E159 HydrophobicContact CG-CB 4.07Å; K138-E159 HydrophobicContact CG-CG 4.16Å; K138-E159 WeakPolarHBondContact CG-OE2 3.35Å; K138-E159 PolarHBondContact N-O 3.29Å; K138-E159 VanDerWaalsContact N-O 3.17Å; K138-E159 IonicContact NZ-OE1 2.66Å; K138-E159 PolarHBondContact NZ-OE1 2.98Å; K138-E159 IonicContact NZ-OE2 2.74Å; K138-E159 PolarHBondContact NZ-OE2 2.93Å
139	N	98.8	Very high	97	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.059	22%	0.22	C	C	.	.	S	Bend	trans	-145.3	-170.6	177.8	-84.3	-74.5	0	0	0	110.3	L112 N115 K116 I117 L136 S137 L141 E159 N160	L112-N139 PolarHBondContact O-ND2 2.9Å; N115-N139 WeakPolarHBondContact CA-OD1 3.32Å; N115-N139 WeakPolarHBondContact CB-OD1 3.28Å; N115-N139 PolarHBondContact O-OD1 2.93Å; K116-N139 PolarHBondContact N-OD1 3.35Å; I117-N139 HydrophobicContact CB-CB 4.33Å; I117-N139 VanDerWaalsContact CB-OD1 3.27Å; I117-N139 WeakPolarHBondContact CB-OD1 3.43Å; I117-N139 VanDerWaalsContact CG1-OD1 3.26Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.48Å; I117-N139 PolarHBondContact N-OD1 3.05Å; L136-N139 WeakPolarHBondContact O-CB 3.18Å; L136-N139 PolarHBondContact O-ND2 3.11Å; S137-N139 PolarHBondContact O-ND2 2.8Å; N139-L141 HydrophobicContact CB-CG 4.36Å; N139-E159 PolarHBondContact N-O 3.44Å; N139-E159 VanDerWaalsContact N-O 3.16Å; N139-N160 WeakPolarHBondContact CA-OD1 3.3Å; N139-N160 WeakPolarHBondContact CB-OD1 3.07Å; N139-N160 PolarHBondContact N-ND2 2.84Å; N139-N160 WeakPolarHBondContact O-CA 3.47Å; N139-N160 PolarHBondContact O-OD1 3.03Å
140	Q	98.6	Very high	97	Very high	79 Å²	79	50.8 Å²	50.8	37%	0.369	23%	0.227	S	C	.	.			trans	-117	28	-173.9	-63.8	175.1	-0.7	0	0	111.7	I117 K142 N160	I117-Q140 CarbonylContact O-C 3.49Å; I117-Q140 VanDerWaalsContact O-C 3.27Å; I117-Q140 WeakPolarHBondContact O-CA 3.44Å; I117-Q140 PolarHBondContact O-N 3.09Å; Q140-K142 PolarHBondContact O-N 2.89Å; Q140-N160 PolarHBondContact N-OD1 3.47Å
141	L	98.3	Very high	96.9	Very high	4 Å²	4	49 Å²	49	2%	0.021	22%	0.223	C	C	.	.			trans	-72.2	124.1	-175.2	-61.1	174.7	0	0	0	111	I117 I120 L136 N139 N160 E161 I162	I117-L141 HydrophobicContact CB-CD2 4.44Å; I117-L141 HydrophobicContact CG2-CD2 3.86Å; I117-L141 WeakPolarHBondContact O-CD2 3.5Å; I117-L141 PolarHBondContact O-N 2.97Å; I120-L141 HydrophobicContact CD1-CD1 4.12Å; I120-L141 HydrophobicContact CD1-CD2 3.71Å; I120-L141 HydrophobicContact CG1-CD2 3.86Å; L136-L141 HydrophobicContact CB-CD1 3.88Å; L136-L141 HydrophobicContact CD1-CD1 3.99Å; L136-L141 HydrophobicContact CD2-CD1 4.44Å; L136-L141 HydrophobicContact CG-CD1 4.33Å; N139-L141 HydrophobicContact CB-CG 4.36Å; L141-N160 VanDerWaalsContact CB-OD1 3.24Å; L141-N160 WeakPolarHBondContact CB-OD1 3.41Å; L141-N160 WeakPolarHBondContact CG-OD1 3.37Å; L141-N160 PolarHBondContact N-OD1 2.75Å; L141-E161 CarbonylContact O-C 3.26Å; L141-E161 VanDerWaalsContact O-CA 3.3Å; L141-E161 WeakPolarHBondContact O-CA 3.35Å; L141-E161 PolarHBondContact O-N 3.23Å; L141-I162 WeakPolarHBondContact O-CG1 3.24Å; L141-I162 PolarHBondContact O-N 3.04Å
142	K	96.4	Very high	96.9	Very high	122 Å²	122	49 Å²	49	53%	0.53	22%	0.223	S	C	.	.	S	Bend	trans	-87.8	-19.9	-179.4	-65.6	179.1	175.6	176.4	0	113.7	Q140 E161 I162 T163	Q140-K142 PolarHBondContact O-N 2.89Å; K142-E161 WeakPolarHBondContact CA-O 3.45Å; K142-E161 WeakPolarHBondContact CE-OE2 3.46Å; K142-E161 HydrophobicContact CG-CB 3.98Å; K142-E161 IonicContact NZ-OE2 2.91Å; K142-I162 WeakPolarHBondContact O-CA 3.22Å; K142-T163 PolarHBondContact O-N 2.81Å; K142-T163 PolarHBondContact O-OG1 3.17Å
143	E	95.8	Very high	96.9	Very high	82 Å²	82	49.3 Å²	49.3	38%	0.383	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-151	161.5	171.5	58.5	-173.4	-172.6	0	0	110.3	R166	E143-R166 IonicContact OE1-NH2 2.71Å; E143-R166 PolarHBondContact OE1-NH2 3.12Å; E143-R166 VanDerWaalsContact OE1-NH2 3.09Å; E143-R166 IonicContact OE2-CZ 4Å; E143-R166 IonicContact OE2-NE 3.68Å; E143-R166 IonicContact OE2-NH2 3.33Å; E143-R166 PolarHBondContact OE2-NH2 3.35Å
144	L	96.1	Very high	96.9	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-74.6	144.1	179.6	-72.2	173.4	0	0	0	111.5	E146 L155 A157 I162 V165 T169 F170 L181	L144-E146 PolarHBondContact O-N 2.96Å; L144-L155 HydrophobicContact CD2-CD2 4.29Å; L144-A157 HydrophobicContact CD2-CB 3.83Å; L144-I162 HydrophobicContact CD2-CD1 3.59Å; L144-I162 HydrophobicContact CG-CD1 4.03Å; L144-V165 HydrophobicContact CD1-CG2 4.49Å; L144-T169 HydrophobicContact CB-CG2 3.77Å; L144-F170 HydrophobicContact CD1-CE1 4.04Å; L144-F170 HydrophobicContact CD1-CE2 4.46Å; L144-F170 HydrophobicContact CD1-CZ 3.56Å; L144-L181 HydrophobicContact CD1-CD1 4.32Å; L144-L181 HydrophobicContact CD1-CD2 3.94Å; L144-L181 HydrophobicContact CD2-CD2 3.93Å; L144-L181 HydrophobicContact CG-CD2 4.43Å
145	P	94.7	Very high	96.9	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.058	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-64.1	132.1	-175.6	26.3	-35.1	0	0	0	112.2	I120 F125 L136 M148 T169	I120-P145 HydrophobicContact CB-CB 4.32Å; I120-P145 HydrophobicContact CD1-CB 4.13Å; I120-P145 HydrophobicContact CD1-CG 4.31Å; I120-P145 HydrophobicContact CG2-CB 4.01Å; F125-P145 HydrophobicContact CD2-CB 4.24Å; F125-P145 HydrophobicContact CD2-CG 4.44Å; F125-P145 HydrophobicContact CE2-CB 3.85Å; F125-P145 HydrophobicContact CE2-CG 3.89Å; L136-P145 HydrophobicContact CD1-CG 4.08Å; P145-M148 HydrophobicContact CG-CG 4.04Å; P145-M148 HydrophobicContact CG-SD 3.98Å; P145-M148 WeakPolarHBondContact O-CE 3.44Å; P145-T169 WeakPolarHBondContact O-CG2 3.37Å
146	E	91.9	Very high	96.9	Very high	63 Å²	63	49 Å²	49	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	160.2	174.5	-62.7	-166.6	163.3	0	0	112.1	P122 L144 M148 R166	P122-E146 HydrophobicContact CB-CB 4.42Å; L144-E146 PolarHBondContact O-N 2.96Å; E146-M148 VanDerWaalsContact C-N 3.3Å; E146-M148 PolarHBondContact O-N 3.3Å; E146-R166 IonicContact OE1-CZ 2.8Å; E146-R166 IonicContact OE1-NH1 2.7Å; E146-R166 PolarHBondContact OE1-NH1 3.46Å
147	K	91.9	Very high	96.9	Very high	143 Å²	143	49 Å²	49	62%	0.622	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	35.6	172.8	-46.7	-177.8	-165.7	165.5	0	115.2	P122	P122-K147 WeakPolarHBondContact O-CB 3.33Å; P122-K147 WeakPolarHBondContact O-CD 3.39Å
148	M	94.9	Very high	96.8	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.03	23%	0.229	C	C	.	.			trans	-53.6	153.1	172.8	-74.3	-177.9	-83	0	0	112.8	L134 P145 E146 K150 L152 L155 T169 F170 L173	L134-M148 HydrophobicContact CD2-SD 4.27Å; P145-M148 HydrophobicContact CG-CG 4.04Å; P145-M148 HydrophobicContact CG-SD 3.98Å; P145-M148 WeakPolarHBondContact O-CE 3.44Å; E146-M148 VanDerWaalsContact C-N 3.3Å; E146-M148 PolarHBondContact O-N 3.3Å; M148-K150 PolarHBondContact O-N 3.23Å; M148-L152 HydrophobicContact CB-CD2 4.46Å; M148-L152 HydrophobicContact SD-CD2 3.89Å; M148-L155 HydrophobicContact CE-CD2 3.94Å; M148-L155 HydrophobicContact SD-CD1 4.03Å; M148-L155 HydrophobicContact SD-CD2 3.89Å; M148-T169 HydrophobicContact CE-CG2 3.73Å; M148-F170 HydrophobicContact CE-CD1 4.4Å; M148-F170 HydrophobicContact CE-CE1 4.44Å; M148-L173 HydrophobicContact CB-CD1 4.17Å; M148-L173 HydrophobicContact CB-CD2 4.25Å; M148-L173 HydrophobicContact CE-CD1 4Å; M148-L173 WeakPolarHBondContact O-CD2 3.33Å
149	P	95.8	Very high	96.8	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.065	23%	0.23	C	C	.	.			trans	-56.1	132.1	178	-28	37.6	0	0	0	112.8	F125 L128 L131 T151 L152 L173	F125-P149 HydrophobicContact CB-CG 4.19Å; L128-P149 HydrophobicContact CB-CG 4.21Å; L131-P149 HydrophobicContact CB-CB 4.19Å; L131-P149 HydrophobicContact CB-CG 4.01Å; L131-P149 HydrophobicContact CD2-CG 4.13Å; P149-T151 PolarHBondContact O-N 2.83Å; P149-T151 VanDerWaalsContact O-N 3.1Å; P149-L152 VanDerWaalsContact O-CB 3.22Å; P149-L152 WeakPolarHBondContact O-CB 3.17Å; P149-L152 PolarHBondContact O-N 2.9Å; P149-L173 WeakPolarHBondContact O-CD2 3.23Å
150	K	95.6	Very high	96.8	Very high	155 Å²	155	50.3 Å²	50.3	67%	0.674	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.9	-179.4	-61.4	-180	-176.7	175.2	0	113.9	M148 Q175	M148-K150 PolarHBondContact O-N 3.23Å; K150-Q175 WeakPolarHBondContact O-CG 3.22Å
151	T	97.4	Very high	96.8	Very high	54 Å²	54	50.1 Å²	50.1	33%	0.331	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.3	173.8	24	0	0	0	0	113.7	V129 L131 P149 Q153	V129-T151 WeakPolarHBondContact O-CG2 3.44Å; V129-T151 PolarHBondContact O-OG1 2.94Å; L131-T151 CarbonylContact O-C 3.54Å; P149-T151 PolarHBondContact O-N 2.83Å; P149-T151 VanDerWaalsContact O-N 3.1Å; T151-Q153 PolarHBondContact O-N 2.96Å
152	L	98.1	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.			trans	-62.1	134.3	-176.8	-161.9	74.6	0	0	0	111.5	L131 E132 L134 M148 P149 L155 Q175 M176	L131-L152 HydrophobicContact CD2-CD1 4.04Å; L131-L152 HydrophobicContact CG-CD1 4.05Å; L131-L152 VanDerWaalsContact O-CA 3.24Å; L131-L152 WeakPolarHBondContact O-CA 3.14Å; L131-L152 PolarHBondContact O-N 3.02Å; L131-L152 VanDerWaalsContact O-N 3.12Å; E132-L152 WeakPolarHBondContact O-CD1 3.32Å; L134-L152 HydrophobicContact CB-CD1 3.7Å; L134-L152 HydrophobicContact CB-CD2 4.32Å; M148-L152 HydrophobicContact CB-CD2 4.46Å; M148-L152 HydrophobicContact SD-CD2 3.89Å; P149-L152 VanDerWaalsContact O-CB 3.22Å; P149-L152 WeakPolarHBondContact O-CB 3.17Å; P149-L152 PolarHBondContact O-N 2.9Å; L152-L155 HydrophobicContact CD2-CB 4.19Å; L152-L155 HydrophobicContact CD2-CD1 4.44Å; L152-Q175 CarbonylContact O-C 3.14Å; L152-M176 VanDerWaalsContact C-SD 3.54Å; L152-M176 HydrophobicContact CB-SD 3.86Å; L152-M176 HydrophobicContact CD2-SD 3.74Å; L152-M176 HydrophobicContact CG-SD 3.67Å; L152-M176 WeakPolarHBondContact O-CA 3.18Å; L152-M176 WeakPolarHBondContact O-CG 3.41Å; L152-M176 PolarHBondContact O-N 3.3Å; L152-M176 VanDerWaalsContact O-N 3.13Å; L152-M176 VanDerWaalsContact O-SD 3.35Å
153	Q	98.5	Very high	96.9	Very high	58 Å²	58	47.5 Å²	47.5	27%	0.271	22%	0.223	S	C	.	.			trans	-114.7	-33	-178.8	-60.5	177	37.7	0	0	111.6	E132 T151 Q175 I177 V178	E132-Q153 HydrophobicContact CB-CG 4.34Å; E132-Q153 VanDerWaalsContact CD-NE2 3.26Å; E132-Q153 WeakPolarHBondContact O-CA 3.21Å; E132-Q153 PolarHBondContact O-N 3.25Å; E132-Q153 PolarHBondContact OE1-NE2 3Å; T151-Q153 PolarHBondContact O-N 2.96Å; Q153-Q175 WeakPolarHBondContact CA-O 3.25Å; Q153-Q175 HydrophobicContact CG-CB 4.26Å; Q153-I177 PolarHBondContact O-N 3.29Å; Q153-V178 PolarHBondContact O-N 2.65Å; Q153-V178 VanDerWaalsContact O-N 3.07Å
154	E	98.8	Very high	96.9	Very high	24 Å²	24	49.3 Å²	49.3	11%	0.112	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.1	-176	-178.1	171.5	-160.5	0	0	112	E132 R133 L134 Y135 R156 V178	E132-E154 PolarHBondContact O-N 3.03Å; R133-E154 WeakPolarHBondContact CA-O 3.47Å; R133-E154 HydrophobicContact CG-CB 4.23Å; L134-E154 PolarHBondContact N-O 2.83Å; Y135-E154 HydrophobicContact CE1-CG 4Å; Y135-E154 PolarHBondContact OH-OE2 3.16Å; E154-R156 HydrophobicContact CG-CG 4.32Å; E154-R156 IonicContact OE1-CZ 2.96Å; E154-R156 IonicContact OE1-NE 3.43Å; E154-R156 PolarHBondContact OE1-NE 2.95Å; E154-R156 IonicContact OE1-NH2 3.61Å; E154-R156 PolarHBondContact OE1-NH2 2.97Å; E154-V178 WeakPolarHBondContact CA-O 3.3Å; E154-V178 HydrophobicContact CB-CB 4.29Å; E154-V178 HydrophobicContact CG-CB 3.98Å; E154-V178 HydrophobicContact CG-CG1 4.03Å
155	L	98.6	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.4	176.3	178.7	66	0	0	0	109.5	L134 L144 M148 L152 F170 M176 V178 E180	L134-L155 HydrophobicContact CB-CD1 4.17Å; L134-L155 HydrophobicContact CD2-CD1 4.05Å; L134-L155 HydrophobicContact CG-CD1 4.06Å; L144-L155 HydrophobicContact CD2-CD2 4.29Å; M148-L155 HydrophobicContact CE-CD2 3.94Å; M148-L155 HydrophobicContact SD-CD1 4.03Å; M148-L155 HydrophobicContact SD-CD2 3.89Å; L152-L155 HydrophobicContact CD2-CB 4.19Å; L152-L155 HydrophobicContact CD2-CD1 4.44Å; L155-F170 HydrophobicContact CD2-CE1 4.2Å; L155-M176 HydrophobicContact CB-CE 3.68Å; L155-V178 PolarHBondContact N-O 2.93Å; L155-V178 VanDerWaalsContact N-O 3.13Å; L155-E180 PolarHBondContact O-N 2.97Å; L155-E180 VanDerWaalsContact O-N 3.08Å
156	R	98.8	Very high	97	Very high	107 Å²	107	52.1 Å²	52.1	40%	0.404	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109.4	174.5	-57.8	-172.6	-176.6	-161.2	2.5	110.3	L134 Y135 L136 S137 E154 E180	L134-R156 PolarHBondContact O-N 3.41Å; L134-R156 VanDerWaalsContact O-N 3.09Å; Y135-R156 HydrophobicContact CD1-CB 3.92Å; Y135-R156 HydrophobicContact CD1-CG 3.74Å; Y135-R156 HydrophobicContact CE1-CG 3.9Å; L136-R156 CarbonylContact C-O 3.34Å; L136-R156 PolarHBondContact N-O 2.97Å; S137-R156 PolarHBondContact N-O 3.17Å; S137-R156 VanDerWaalsContact N-O 3.13Å; S137-R156 WeakPolarHBondContact OG-CB 3.04Å; S137-R156 PolarHBondContact OG-O 3.09Å; E154-R156 HydrophobicContact CG-CG 4.32Å; E154-R156 IonicContact OE1-CZ 2.96Å; E154-R156 IonicContact OE1-NE 3.43Å; E154-R156 PolarHBondContact OE1-NE 2.95Å; E154-R156 IonicContact OE1-NH2 3.61Å; E154-R156 PolarHBondContact OE1-NH2 2.97Å; R156-E180 HydrophobicContact CG-CB 4.34Å
157	A	98.3	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.242	C	C	.	.			trans	-124.5	41.2	174.8	0	0	0	0	0	111.1	L144 I162 E180 L181 N184	L144-A157 HydrophobicContact CD2-CB 3.83Å; A157-I162 HydrophobicContact CB-CD1 3.82Å; A157-E180 PolarHBondContact N-O 3.23Å; A157-L181 HydrophobicContact CB-CD2 4.04Å; A157-N184 PolarHBondContact O-ND2 2.9Å
158	H	97.2	Very high	97.1	Very high	43 Å²	43	50.5 Å²	50.5	20%	0.199	24%	0.239	C	C	.	.			trans	-63.4	150.1	174.2	-166.9	88.9	0	0	0	110.7	S137 K138 N160 E180 G182 T183	S137-H158 CarbonylContact C-O 3.57Å; S137-H158 WeakPolarHBondContact CA-O 3.41Å; S137-H158 WeakPolarHBondContact CB-O 3.4Å; S137-H158 PolarHBondContact OG-N 2.69Å; S137-H158 VanDerWaalsContact OG-N 3.09Å; K138-H158 PolarHBondContact N-O 3Å; H158-N160 PolarHBondContact O-ND2 3.11Å; H158-E180 HydrophobicContact CB-CG 4.08Å; H158-E180 IonicContact CE1-OE1 3.15Å; H158-E180 IonicContact CG-OE1 3.99Å; H158-E180 IonicContact ND1-OE1 2.7Å; H158-E180 PolarHBondContact ND1-OE1 3.02Å; H158-G182 CarbonylContact C-O 3.57Å; H158-G182 VanDerWaalsContact CA-O 3.23Å; H158-G182 WeakPolarHBondContact CA-O 3.49Å; H158-G182 WeakPolarHBondContact ND1-CA 3.41Å; H158-G182 PolarHBondContact ND1-O 3.1Å; H158-T183 PolarHBondContact CE1-OG1 3.06Å; H158-T183 PolarHBondContact NE2-OG1 3.06Å
159	E	98.4	Very high	97	Very high	79 Å²	79	50.6 Å²	50.6	37%	0.369	24%	0.24	S	C	.	.	S	Bend	trans	55.5	69	174.6	-162.4	175.1	146.5	0	0	112	K138 N139 G182 T183	K138-E159 WeakPolarHBondContact CA-O 3.45Å; K138-E159 WeakPolarHBondContact CE-OE2 3.48Å; K138-E159 HydrophobicContact CG-CB 4.07Å; K138-E159 HydrophobicContact CG-CG 4.16Å; K138-E159 WeakPolarHBondContact CG-OE2 3.35Å; K138-E159 PolarHBondContact N-O 3.29Å; K138-E159 VanDerWaalsContact N-O 3.17Å; K138-E159 IonicContact NZ-OE1 2.66Å; K138-E159 PolarHBondContact NZ-OE1 2.98Å; K138-E159 IonicContact NZ-OE2 2.74Å; K138-E159 PolarHBondContact NZ-OE2 2.93Å; N139-E159 PolarHBondContact N-O 3.44Å; N139-E159 VanDerWaalsContact N-O 3.16Å; E159-G182 PolarHBondContact N-O 3.19Å; E159-T183 WeakPolarHBondContact CA-O 3.17Å; E159-T183 HydrophobicContact CB-CG2 4.15Å; E159-T183 HydrophobicContact CG-CG2 4.08Å; E159-T183 PolarHBondContact N-O 2.85Å
160	N	98.8	Very high	96.9	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.064	24%	0.237	C	C	.	.	S	Bend	trans	-144.6	-179.2	-176.9	-93	-93.5	0	0	0	110.7	L136 N139 Q140 L141 H158 I162 T183 N184 P185	L136-N160 PolarHBondContact O-ND2 3.25Å; N139-N160 WeakPolarHBondContact CA-OD1 3.3Å; N139-N160 WeakPolarHBondContact CB-OD1 3.07Å; N139-N160 PolarHBondContact N-ND2 2.84Å; N139-N160 WeakPolarHBondContact O-CA 3.47Å; N139-N160 PolarHBondContact O-OD1 3.03Å; Q140-N160 PolarHBondContact N-OD1 3.47Å; L141-N160 VanDerWaalsContact CB-OD1 3.24Å; L141-N160 WeakPolarHBondContact CB-OD1 3.41Å; L141-N160 WeakPolarHBondContact CG-OD1 3.37Å; L141-N160 PolarHBondContact N-OD1 2.75Å; H158-N160 PolarHBondContact O-ND2 3.11Å; N160-I162 HydrophobicContact CB-CD1 4.21Å; N160-I162 HydrophobicContact CB-CG1 4.12Å; N160-T183 PolarHBondContact N-O 3.35Å; N160-N184 WeakPolarHBondContact CA-OD1 3.49Å; N160-N184 WeakPolarHBondContact CB-OD1 3.39Å; N160-N184 PolarHBondContact O-OD1 2.91Å; N160-P185 WeakPolarHBondContact O-CD 3.45Å
161	E	98.4	Very high	96.5	Very high	76 Å²	76	48.6 Å²	48.6	36%	0.355	24%	0.236	S	C	.	.			trans	-96.7	21.6	179.4	-65.9	-175.8	-149.7	0	0	113.2	L141 K142 T163 P185	L141-E161 CarbonylContact O-C 3.26Å; L141-E161 VanDerWaalsContact O-CA 3.3Å; L141-E161 WeakPolarHBondContact O-CA 3.35Å; L141-E161 PolarHBondContact O-N 3.23Å; K142-E161 WeakPolarHBondContact CA-O 3.45Å; K142-E161 WeakPolarHBondContact CE-OE2 3.46Å; K142-E161 HydrophobicContact CG-CB 3.98Å; K142-E161 IonicContact NZ-OE2 2.91Å; E161-T163 PolarHBondContact O-N 3.03Å; E161-T163 VanDerWaalsContact O-N 3.1Å; E161-P185 VanDerWaalsContact C-CG 3.44Å; E161-P185 WeakPolarHBondContact O-CG 2.96Å
162	I	98.4	Very high	96.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.23	C	C	.	.			trans	-66.5	115.9	-169.2	-59.9	164.7	0	0	0	110.5	L141 K142 L144 A157 N160 K164 V165 L181 N184 L186	L141-I162 WeakPolarHBondContact O-CG1 3.24Å; L141-I162 PolarHBondContact O-N 3.04Å; K142-I162 WeakPolarHBondContact O-CA 3.22Å; L144-I162 HydrophobicContact CD2-CD1 3.59Å; L144-I162 HydrophobicContact CG-CD1 4.03Å; A157-I162 HydrophobicContact CB-CD1 3.82Å; N160-I162 HydrophobicContact CB-CD1 4.21Å; N160-I162 HydrophobicContact CB-CG1 4.12Å; I162-K164 WeakPolarHBondContact CG2-O 3.48Å; I162-V165 HydrophobicContact CG2-CG2 4.13Å; I162-L181 HydrophobicContact CD1-CD2 4.4Å; I162-N184 HydrophobicContact CB-CB 4.32Å; I162-N184 WeakPolarHBondContact CB-OD1 3.11Å; I162-N184 VanDerWaalsContact CG1-OD1 3.32Å; I162-N184 WeakPolarHBondContact CG1-OD1 3.14Å; I162-N184 PolarHBondContact N-OD1 2.76Å; I162-L186 WeakPolarHBondContact O-CA 3.49Å; I162-L186 WeakPolarHBondContact O-CB 3.48Å; I162-L186 PolarHBondContact O-N 2.66Å; I162-L186 VanDerWaalsContact O-N 3.11Å
163	T	97.6	Very high	96	Very high	69 Å²	69	47.1 Å²	47.1	42%	0.423	23%	0.231	S	C	.	.			trans	-105.8	-15.9	177.7	54.2	0	0	0	0	113.5	K142 E161 P185 G190	K142-T163 PolarHBondContact O-N 2.81Å; K142-T163 PolarHBondContact O-OG1 3.17Å; E161-T163 PolarHBondContact O-N 3.03Å; E161-T163 VanDerWaalsContact O-N 3.1Å; T163-P185 HydrophobicContact CG2-CB 4.37Å; T163-P185 HydrophobicContact CG2-CG 3.92Å; T163-G190 WeakPolarHBondContact O-CA 3.17Å
164	K	96.7	Very high	95.9	Very high	120 Å²	120	47.1 Å²	47.1	52%	0.522	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-138.5	139.8	-175.9	-65.5	-179.6	-177.1	177.2	0	112.2	I162 G190	I162-K164 WeakPolarHBondContact CG2-O 3.48Å; K164-G190 CarbonylContact C-O 3.31Å; K164-G190 VanDerWaalsContact CA-O 3.32Å; K164-G190 WeakPolarHBondContact CA-O 3.23Å
165	V	97.2	Very high	95.8	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-131.7	102.1	177	178.1	0	0	0	0	108.2	L144 I162 F170 L181 L186 G190 I191 E192 A195 F196	L144-V165 HydrophobicContact CD1-CG2 4.49Å; I162-V165 HydrophobicContact CG2-CG2 4.13Å; V165-F170 HydrophobicContact CG1-CE2 3.53Å; V165-F170 HydrophobicContact CG1-CZ 4.11Å; V165-L181 HydrophobicContact CG2-CD1 4.42Å; V165-L186 HydrophobicContact CG2-CD1 3.9Å; V165-L186 HydrophobicContact CG2-CD2 3.77Å; V165-G190 PolarHBondContact N-O 3.13Å; V165-I191 HydrophobicContact CB-CG1 4.42Å; V165-E192 PolarHBondContact O-N 2.94Å; V165-E192 VanDerWaalsContact O-N 3.09Å; V165-A195 HydrophobicContact CG1-CB 4.26Å; V165-F196 HydrophobicContact CG1-CE1 3.99Å; V165-F196 HydrophobicContact CG1-CZ 3.9Å
166	R	95.4	Very high	95.8	Very high	73 Å²	73	49.7 Å²	49.7	28%	0.275	24%	0.244	S	C	.	.			trans	-90.2	149.4	-174.8	-49	-174.6	-159.1	163.5	-0.1	112	E143 E146 T168 T169 E192	E143-R166 IonicContact OE1-NH2 2.71Å; E143-R166 PolarHBondContact OE1-NH2 3.12Å; E143-R166 VanDerWaalsContact OE1-NH2 3.09Å; E143-R166 IonicContact OE2-CZ 4Å; E143-R166 IonicContact OE2-NE 3.68Å; E143-R166 IonicContact OE2-NH2 3.33Å; E143-R166 PolarHBondContact OE2-NH2 3.35Å; E146-R166 IonicContact OE1-CZ 2.8Å; E146-R166 IonicContact OE1-NH1 2.7Å; E146-R166 PolarHBondContact OE1-NH1 3.46Å; R166-T168 VanDerWaalsContact C-N 3.28Å; R166-T168 PolarHBondContact O-N 2.8Å; R166-T169 WeakPolarHBondContact O-CB 3.45Å; R166-T169 PolarHBondContact O-N 2.81Å; R166-E192 WeakPolarHBondContact CA-OE1 3.32Å; R166-E192 WeakPolarHBondContact CB-OE1 3.43Å; R166-E192 WeakPolarHBondContact CG-OE1 3.43Å
167	K	94.3	Very high	95.8	Very high	82 Å²	82	47.8 Å²	47.8	36%	0.357	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.9	175.1	-169.7	166.4	-169.3	158.9	0	112.8	E192 G194 A195	K167-E192 HydrophobicContact CB-CB 4.45Å; K167-E192 VanDerWaalsContact CB-OE2 3.32Å; K167-E192 WeakPolarHBondContact CB-OE2 3.26Å; K167-E192 PolarHBondContact N-OE2 3.39Å; K167-G194 WeakPolarHBondContact CD-O 3.31Å; K167-G194 WeakPolarHBondContact CE-O 3.49Å; K167-G194 PolarHBondContact NZ-O 3.13Å; K167-A195 HydrophobicContact CB-CB 4.49Å
168	T	92.2	Very high	95.8	Very high	89 Å²	89	49.5 Å²	49.5	55%	0.546	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-37.1	175.9	51.8	0	0	0	0	112.6	R166 F170 N171	R166-T168 VanDerWaalsContact C-N 3.28Å; R166-T168 PolarHBondContact O-N 2.8Å; T168-F170 VanDerWaalsContact C-N 3.29Å; T168-F170 PolarHBondContact O-N 2.71Å; T168-N171 WeakPolarHBondContact O-CB 3.39Å; T168-N171 PolarHBondContact O-N 2.89Å; T168-N171 VanDerWaalsContact O-N 3.16Å
169	T	92.4	Very high	95.9	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.049	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.8	-175.7	-55.3	0	0	0	0	113.3	L144 P145 M148 R166	L144-T169 HydrophobicContact CB-CG2 3.77Å; P145-T169 WeakPolarHBondContact O-CG2 3.37Å; M148-T169 HydrophobicContact CE-CG2 3.73Å; R166-T169 WeakPolarHBondContact O-CB 3.45Å; R166-T169 PolarHBondContact O-N 2.81Å
170	F	93.7	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	3.3	-178.6	-57.5	-61.3	0	0	0	114.2	L144 M148 L155 V165 T168 G172 L173 I179 F196 M199	L144-F170 HydrophobicContact CD1-CE1 4.04Å; L144-F170 HydrophobicContact CD1-CE2 4.46Å; L144-F170 HydrophobicContact CD1-CZ 3.56Å; M148-F170 HydrophobicContact CE-CD1 4.4Å; M148-F170 HydrophobicContact CE-CE1 4.44Å; L155-F170 HydrophobicContact CD2-CE1 4.2Å; V165-F170 HydrophobicContact CG1-CE2 3.53Å; V165-F170 HydrophobicContact CG1-CZ 4.11Å; T168-F170 VanDerWaalsContact C-N 3.29Å; T168-F170 PolarHBondContact O-N 2.71Å; F170-G172 PolarHBondContact O-N 3.11Å; F170-L173 HydrophobicContact CD1-CD1 4.2Å; F170-L173 PolarHBondContact O-N 3.15Å; F170-I179 HydrophobicContact CD1-CD1 4.26Å; F170-I179 HydrophobicContact CE1-CD1 3.75Å; F170-I179 HydrophobicContact CZ-CD1 4.06Å; F170-F196 HydrophobicContact CD2-CD1 4.16Å; F170-F196 AromaticContact CE2-CD1 3.61Å; F170-F196 HydrophobicContact CE2-CD1 3.61Å; F170-F196 AromaticContact CE2-CE1 3.58Å; F170-F196 HydrophobicContact CE2-CE1 3.58Å; F170-F196 HydrophobicContact CZ-CD1 4.14Å; F170-F196 AromaticContact CZ-CE1 3.91Å; F170-F196 HydrophobicContact CZ-CE1 3.91Å; F170-M199 HydrophobicContact CB-CE 3.52Å; F170-M199 HydrophobicContact CB-CG 4.07Å; F170-M199 HydrophobicContact CB-SD 3.8Å; F170-M199 HydrophobicContact CD1-CE 3.61Å; F170-M199 HydrophobicContact CD1-SD 3.69Å; F170-M199 HydrophobicContact CD2-CE 3.62Å; F170-M199 HydrophobicContact CE1-CE 4.15Å; F170-M199 HydrophobicContact CE1-SD 4.42Å; F170-M199 HydrophobicContact CE2-CE 4.14Å; F170-M199 HydrophobicContact CG-CE 3.31Å; F170-M199 HydrophobicContact CG-SD 3.85Å; F170-M199 HydrophobicContact CZ-CE 4.39Å
171	N	88.1	Confident	95.8	Very high	124 Å²	124	44.2 Å²	44.2	66%	0.663	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	122.3	-171.9	-170.8	13.2	0	0	0	111.6	T168	T168-N171 WeakPolarHBondContact O-CB 3.39Å; T168-N171 PolarHBondContact O-N 2.89Å; T168-N171 VanDerWaalsContact O-N 3.16Å
172	G	89.7	Confident	95.8	Very high	19 Å²	19	40.6 Å²	40.6	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-1.2	-179.8	0	0	0	0	0	115.6	F170 N174	F170-G172 PolarHBondContact O-N 3.11Å; G172-N174 VanDerWaalsContact C-ND2 3.31Å; G172-N174 PolarHBondContact O-N 2.87Å; G172-N174 PolarHBondContact O-ND2 2.9Å
173	L	95.4	Very high	95.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.225	C	C	.	.			trans	-76.8	58.9	176.5	-54.7	-172.8	0	0	0	111.8	M148 P149 F170 Q175 M176 M199	M148-L173 HydrophobicContact CB-CD1 4.17Å; M148-L173 HydrophobicContact CB-CD2 4.25Å; M148-L173 HydrophobicContact CE-CD1 4Å; M148-L173 WeakPolarHBondContact O-CD2 3.33Å; P149-L173 WeakPolarHBondContact O-CD2 3.23Å; F170-L173 HydrophobicContact CD1-CD1 4.2Å; F170-L173 PolarHBondContact O-N 3.15Å; L173-Q175 PolarHBondContact O-N 2.79Å; L173-Q175 VanDerWaalsContact O-N 3.13Å; L173-M176 HydrophobicContact CB-CG 3.68Å; L173-M176 HydrophobicContact CD1-CG 4.29Å; L173-M176 PolarHBondContact O-N 3.29Å; L173-M199 HydrophobicContact CB-CG 4.22Å
174	N	95.5	Very high	95.8	Very high	58 Å²	58	40.1 Å²	40.1	31%	0.31	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.3	-171.7	-67.7	-90.9	0	0	0	114.1	G172 K200 K201	G172-N174 VanDerWaalsContact C-ND2 3.31Å; G172-N174 PolarHBondContact O-N 2.87Å; G172-N174 PolarHBondContact O-ND2 2.9Å; N174-K200 WeakPolarHBondContact OD1-CD 3.41Å; N174-K201 WeakPolarHBondContact O-CD 3.47Å; N174-K201 WeakPolarHBondContact O-CG 3.46Å
175	Q	97.4	Very high	95.9	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.4	175.5	-52.1	-55.4	-19	0	0	113.7	K150 L152 Q153 L173 I177	K150-Q175 WeakPolarHBondContact O-CG 3.22Å; L152-Q175 CarbonylContact O-C 3.14Å; Q153-Q175 WeakPolarHBondContact CA-O 3.25Å; Q153-Q175 HydrophobicContact CG-CB 4.26Å; L173-Q175 PolarHBondContact O-N 2.79Å; L173-Q175 VanDerWaalsContact O-N 3.13Å; Q175-I177 WeakPolarHBondContact O-CG1 3.46Å; Q175-I177 PolarHBondContact O-N 3.08Å
176	M	98.1	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.			trans	-62.8	130.5	-180	-74.5	-65.8	-59.6	0	0	111.9	L152 L155 L173 V178 I179 M199 K201 L202	L152-M176 VanDerWaalsContact C-SD 3.54Å; L152-M176 HydrophobicContact CB-SD 3.86Å; L152-M176 HydrophobicContact CD2-SD 3.74Å; L152-M176 HydrophobicContact CG-SD 3.67Å; L152-M176 WeakPolarHBondContact O-CA 3.18Å; L152-M176 WeakPolarHBondContact O-CG 3.41Å; L152-M176 PolarHBondContact O-N 3.3Å; L152-M176 VanDerWaalsContact O-N 3.13Å; L152-M176 VanDerWaalsContact O-SD 3.35Å; L155-M176 HydrophobicContact CB-CE 3.68Å; L173-M176 HydrophobicContact CB-CG 3.68Å; L173-M176 HydrophobicContact CD1-CG 4.29Å; L173-M176 PolarHBondContact O-N 3.29Å; M176-V178 VanDerWaalsContact CE-O 3.23Å; M176-V178 WeakPolarHBondContact CE-O 3.49Å; M176-I179 HydrophobicContact CE-CD1 3.94Å; M176-I179 HydrophobicContact CE-CG1 3.42Å; M176-I179 VanDerWaalsContact CE-CG1 3.42Å; M176-M199 HydrophobicContact CB-CB 4.21Å; M176-M199 HydrophobicContact CB-CG 4.01Å; M176-M199 HydrophobicContact CB-SD 3.68Å; M176-M199 HydrophobicContact CG-CG 4.35Å; M176-M199 HydrophobicContact CG-SD 3.81Å; M176-K201 CarbonylContact O-C 3.13Å; M176-K201 WeakPolarHBondContact O-CB 3.32Å; M176-L202 HydrophobicContact CB-CD1 4.35Å; M176-L202 VanDerWaalsContact O-CA 3.23Å; M176-L202 WeakPolarHBondContact O-CA 3.26Å; M176-L202 PolarHBondContact O-N 3.1Å
177	I	98.4	Very high	96	Very high	68 Å²	68	39.2 Å²	39.2	35%	0.349	21%	0.21	S	C	.	.			trans	-120.2	-37.3	-179.6	-57.8	171.9	0	0	0	110.5	Q153 Q175 S203 Y204	Q153-I177 PolarHBondContact O-N 3.29Å; Q175-I177 WeakPolarHBondContact O-CG1 3.46Å; Q175-I177 PolarHBondContact O-N 3.08Å; I177-S203 PolarHBondContact O-N 2.89Å; I177-Y204 PolarHBondContact O-N 3.5Å
178	V	98.8	Very high	96.1	Very high	36 Å²	36	36.6 Å²	36.6	22%	0.218	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.4	-172.3	179.4	0	0	0	0	111.5	Q153 E154 L155 M176 Y204	Q153-V178 PolarHBondContact O-N 2.65Å; Q153-V178 VanDerWaalsContact O-N 3.07Å; E154-V178 WeakPolarHBondContact CA-O 3.3Å; E154-V178 HydrophobicContact CB-CB 4.29Å; E154-V178 HydrophobicContact CG-CB 3.98Å; E154-V178 HydrophobicContact CG-CG1 4.03Å; L155-V178 PolarHBondContact N-O 2.93Å; L155-V178 VanDerWaalsContact N-O 3.13Å; M176-V178 VanDerWaalsContact CE-O 3.23Å; M176-V178 WeakPolarHBondContact CE-O 3.49Å; V178-Y204 HydrophobicContact CG1-CD1 3.89Å; V178-Y204 HydrophobicContact CG1-CE1 4.49Å
179	I	98.3	Very high	96.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.1	169.8	-73.7	-179.8	0	0	0	110.3	F170 M176 L181 F196 M199 L202 Y204 I205 R206	F170-I179 HydrophobicContact CD1-CD1 4.26Å; F170-I179 HydrophobicContact CE1-CD1 3.75Å; F170-I179 HydrophobicContact CZ-CD1 4.06Å; M176-I179 HydrophobicContact CE-CD1 3.94Å; M176-I179 HydrophobicContact CE-CG1 3.42Å; M176-I179 VanDerWaalsContact CE-CG1 3.42Å; I179-L181 HydrophobicContact CG2-CD1 3.8Å; I179-L181 HydrophobicContact CG2-CD2 4.26Å; I179-L181 HydrophobicContact CG2-CG 3.6Å; I179-F196 HydrophobicContact CD1-CD1 4.47Å; I179-M199 HydrophobicContact CD1-CE 3.55Å; I179-M199 HydrophobicContact CD1-SD 3.6Å; I179-L202 HydrophobicContact CB-CD1 4.38Å; I179-L202 HydrophobicContact CD1-CD1 4.02Å; I179-L202 HydrophobicContact CD1-CD2 4.11Å; I179-L202 HydrophobicContact CG1-CD1 3.91Å; I179-Y204 PolarHBondContact N-O 3.28Å; I179-I205 WeakPolarHBondContact O-CA 3.45Å; I179-R206 PolarHBondContact O-N 3.06Å
180	E	98.4	Very high	96.6	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.7	172.6	168	62.6	-108	0	0	109.1	L155 R156 A157 H158 G182 R206	L155-E180 PolarHBondContact O-N 2.97Å; L155-E180 VanDerWaalsContact O-N 3.08Å; R156-E180 HydrophobicContact CG-CB 4.34Å; A157-E180 PolarHBondContact N-O 3.23Å; H158-E180 HydrophobicContact CB-CG 4.08Å; H158-E180 IonicContact CE1-OE1 3.15Å; H158-E180 IonicContact CG-OE1 3.99Å; H158-E180 IonicContact ND1-OE1 2.7Å; H158-E180 PolarHBondContact ND1-OE1 3.02Å; E180-G182 WeakPolarHBondContact OE1-CA 3.31Å; E180-G182 PolarHBondContact OE1-N 3.08Å; E180-R206 IonicContact OE1-NH1 2.75Å; E180-R206 WeakPolarHBondContact OE2-CB 3.49Å; E180-R206 WeakPolarHBondContact OE2-CD 3.11Å; E180-R206 WeakPolarHBondContact OE2-CG 3.39Å; E180-R206 IonicContact OE2-CZ 2.93Å; E180-R206 IonicContact OE2-NH1 3.9Å; E180-R206 PolarHBondContact OE2-NH1 3.09Å
181	L	98.1	Very high	96.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.224	C	C	.	.			trans	-126.9	17.9	-176.5	-59.5	175.8	0	0	0	112.5	L144 A157 I162 V165 I179 N184 F196 R206 I207	L144-L181 HydrophobicContact CD1-CD1 4.32Å; L144-L181 HydrophobicContact CD1-CD2 3.94Å; L144-L181 HydrophobicContact CD2-CD2 3.93Å; L144-L181 HydrophobicContact CG-CD2 4.43Å; A157-L181 HydrophobicContact CB-CD2 4.04Å; I162-L181 HydrophobicContact CD1-CD2 4.4Å; V165-L181 HydrophobicContact CG2-CD1 4.42Å; I179-L181 HydrophobicContact CG2-CD1 3.8Å; I179-L181 HydrophobicContact CG2-CD2 4.26Å; I179-L181 HydrophobicContact CG2-CG 3.6Å; L181-N184 PolarHBondContact O-ND2 3.11Å; L181-F196 HydrophobicContact CD1-CE1 4.14Å; L181-F196 HydrophobicContact CD1-CZ 4.38Å; L181-R206 PolarHBondContact N-O 3.17Å; L181-I207 HydrophobicContact CB-CG1 4.39Å
182	G	97.4	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.			trans	-66.5	168.2	-176.8	0	0	0	0	0	114.4	H158 E159 E180 N184 A208	H158-G182 CarbonylContact C-O 3.57Å; H158-G182 VanDerWaalsContact CA-O 3.23Å; H158-G182 WeakPolarHBondContact CA-O 3.49Å; H158-G182 WeakPolarHBondContact ND1-CA 3.41Å; H158-G182 PolarHBondContact ND1-O 3.1Å; E159-G182 PolarHBondContact N-O 3.19Å; E180-G182 WeakPolarHBondContact OE1-CA 3.31Å; E180-G182 PolarHBondContact OE1-N 3.08Å; G182-N184 PolarHBondContact O-N 3.33Å; G182-N184 PolarHBondContact O-ND2 3.46Å; G182-A208 CarbonylContact C-O 3.54Å; G182-A208 WeakPolarHBondContact CA-O 3.31Å
183	T	98.2	Very high	97.5	Very high	53 Å²	53	42.5 Å²	42.5	33%	0.325	24%	0.235	S	C	.	.	S	Bend	trans	52.3	55.8	-177.6	-48.2	0	0	0	0	111.5	H158 E159 N160 A208	H158-T183 PolarHBondContact CE1-OG1 3.06Å; H158-T183 PolarHBondContact NE2-OG1 3.06Å; E159-T183 WeakPolarHBondContact CA-O 3.17Å; E159-T183 HydrophobicContact CB-CG2 4.15Å; E159-T183 HydrophobicContact CG-CG2 4.08Å; E159-T183 PolarHBondContact N-O 2.85Å; N160-T183 PolarHBondContact N-O 3.35Å; T183-A208 PolarHBondContact N-O 3.22Å
184	N	98.5	Very high	97.5	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	24%	0.235	C	C	.	.	S	Bend	trans	-133	149.1	178.5	-86.4	-85.1	0	0	0	110.4	A157 N160 I162 L181 G182 L186 T210	A157-N184 PolarHBondContact O-ND2 2.9Å; N160-N184 WeakPolarHBondContact CA-OD1 3.49Å; N160-N184 WeakPolarHBondContact CB-OD1 3.39Å; N160-N184 PolarHBondContact O-OD1 2.91Å; I162-N184 HydrophobicContact CB-CB 4.32Å; I162-N184 WeakPolarHBondContact CB-OD1 3.11Å; I162-N184 VanDerWaalsContact CG1-OD1 3.32Å; I162-N184 WeakPolarHBondContact CG1-OD1 3.14Å; I162-N184 PolarHBondContact N-OD1 2.76Å; L181-N184 PolarHBondContact O-ND2 3.11Å; G182-N184 PolarHBondContact O-N 3.33Å; G182-N184 PolarHBondContact O-ND2 3.46Å; N184-L186 HydrophobicContact CB-CB 4.35Å; N184-L186 PolarHBondContact O-N 3.09Å; N184-T210 HydrophobicContact CB-CG2 4.39Å; N184-T210 WeakPolarHBondContact O-CA 3.39Å; N184-T210 VanDerWaalsContact O-CB 3.26Å; N184-T210 WeakPolarHBondContact O-CB 3.45Å
185	P	97.9	Very high	97.6	Very high	52 Å²	52	39.8 Å²	39.8	34%	0.338	22%	0.221	S	C	.	.			trans	-71	15.5	177.1	31.7	-37.3	0	0	0	114.2	N160 E161 T163	N160-P185 WeakPolarHBondContact O-CD 3.45Å; E161-P185 VanDerWaalsContact C-CG 3.44Å; E161-P185 WeakPolarHBondContact O-CG 2.96Å; T163-P185 HydrophobicContact CG2-CB 4.37Å; T163-P185 HydrophobicContact CG2-CG 3.92Å
186	L	97.5	Very high	97.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.205	C	C	.	.			trans	-60	135.1	-178.2	-172.9	59	0	0	0	111.7	I162 V165 N184 I191 I207 N211 I212	I162-L186 WeakPolarHBondContact O-CA 3.49Å; I162-L186 WeakPolarHBondContact O-CB 3.48Å; I162-L186 PolarHBondContact O-N 2.66Å; I162-L186 VanDerWaalsContact O-N 3.11Å; V165-L186 HydrophobicContact CG2-CD1 3.9Å; V165-L186 HydrophobicContact CG2-CD2 3.77Å; N184-L186 HydrophobicContact CB-CB 4.35Å; N184-L186 PolarHBondContact O-N 3.09Å; L186-I191 HydrophobicContact CD1-CG1 3.92Å; L186-I191 HydrophobicContact CD2-CD1 3.88Å; L186-I191 HydrophobicContact CD2-CG1 3.92Å; L186-I191 HydrophobicContact CG-CD1 4.22Å; L186-I191 HydrophobicContact CG-CG1 4.01Å; L186-I207 HydrophobicContact CD2-CG2 4.11Å; L186-N211 CarbonylContact O-C 3.51Å; L186-N211 WeakPolarHBondContact O-CA 3.28Å; L186-N211 VanDerWaalsContact O-CB 3.31Å; L186-N211 WeakPolarHBondContact O-CB 3.41Å; L186-N211 PolarHBondContact O-N 2.81Å; L186-I212 PolarHBondContact O-N 2.7Å
187	K	97.8	Very high	97.3	Very high	124 Å²	124	41.3 Å²	41.3	54%	0.539	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-116.8	159.9	176.6	-64.8	174.3	-177.5	176.5	0	109.4	S189 G190 N211	K187-S189 PolarHBondContact O-N 3.48Å; K187-G190 WeakPolarHBondContact O-CA 3.19Å; K187-G190 PolarHBondContact O-N 2.8Å; K187-N211 HydrophobicContact CG-CB 3.85Å
188	S	97.2	Very high	96.9	Very high	27 Å²	27	39.3 Å²	39.3	19%	0.189	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.4	-38.5	177.4	-63.7	0	0	0	0	112.7	G190 I191 T213 S214	S188-G190 PolarHBondContact O-N 3.28Å; S188-I191 PolarHBondContact O-N 3.36Å; S188-T213 PolarHBondContact OG-N 3.39Å; S188-T213 PolarHBondContact OG-OG1 3.43Å; S188-S214 WeakPolarHBondContact CB-OG 3.29Å; S188-S214 PolarHBondContact OG-N 3.33Å; S188-S214 PolarHBondContact OG-OG 2.91Å
189	S	97.1	Very high	96.8	Very high	117 Å²	117	37.6 Å²	37.6	82%	0.818	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-72.4	-7.5	176.2	53.3	0	0	0	0	114.9	K187	K187-S189 PolarHBondContact O-N 3.48Å
190	G	96.8	Very high	96.6	Very high	13 Å²	13	45.2 Å²	45.2	13%	0.134	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-88.4	-12.5	171.3	0	0	0	0	0	113.7	T163 K164 V165 K187 S188	T163-G190 WeakPolarHBondContact O-CA 3.17Å; K164-G190 CarbonylContact C-O 3.31Å; K164-G190 VanDerWaalsContact CA-O 3.32Å; K164-G190 WeakPolarHBondContact CA-O 3.23Å; V165-G190 PolarHBondContact N-O 3.13Å; K187-G190 WeakPolarHBondContact O-CA 3.19Å; K187-G190 PolarHBondContact O-N 2.8Å; S188-G190 PolarHBondContact O-N 3.28Å
191	I	97.8	Very high	96.5	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.092	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-99.8	120	179.6	-54.5	176.6	0	0	0	108.7	V165 L186 S188 A195 F196 I207 I212 P216	V165-I191 HydrophobicContact CB-CG1 4.42Å; L186-I191 HydrophobicContact CD1-CG1 3.92Å; L186-I191 HydrophobicContact CD2-CD1 3.88Å; L186-I191 HydrophobicContact CD2-CG1 3.92Å; L186-I191 HydrophobicContact CG-CD1 4.22Å; L186-I191 HydrophobicContact CG-CG1 4.01Å; S188-I191 PolarHBondContact O-N 3.36Å; I191-A195 HydrophobicContact CG2-CB 4.31Å; I191-F196 HydrophobicContact CG2-CE2 3.83Å; I191-F196 HydrophobicContact CG2-CZ 4.38Å; I191-I207 HydrophobicContact CD1-CD1 4.43Å; I191-I212 HydrophobicContact CD1-CG2 3.88Å; I191-P216 HydrophobicContact CD1-CG 4.04Å; I191-P216 HydrophobicContact CG2-CB 4.44Å
192	E	97.3	Very high	96.5	Very high	86 Å²	86	49.5 Å²	49.5	40%	0.402	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-68.8	143.6	175.3	-73.4	173.7	-159.4	0	0	111.8	V165 R166 K167 G194 A195	V165-E192 PolarHBondContact O-N 2.94Å; V165-E192 VanDerWaalsContact O-N 3.09Å; R166-E192 WeakPolarHBondContact CA-OE1 3.32Å; R166-E192 WeakPolarHBondContact CB-OE1 3.43Å; R166-E192 WeakPolarHBondContact CG-OE1 3.43Å; K167-E192 HydrophobicContact CB-CB 4.45Å; K167-E192 VanDerWaalsContact CB-OE2 3.32Å; K167-E192 WeakPolarHBondContact CB-OE2 3.26Å; K167-E192 PolarHBondContact N-OE2 3.39Å; E192-G194 PolarHBondContact O-N 3.15Å; E192-G194 VanDerWaalsContact O-N 3.15Å; E192-A195 HydrophobicContact CB-CB 4.24Å; E192-A195 VanDerWaalsContact O-CB 3.25Å; E192-A195 WeakPolarHBondContact O-CB 3.39Å; E192-A195 PolarHBondContact O-N 2.59Å
193	N	95.6	Very high	96.6	Very high	130 Å²	130	51 Å²	51	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	118.8	179.8	-77.9	-24	0	0	0	111.4	A195	N193-A195 VanDerWaalsContact C-N 3.34Å
194	G	95.5	Very high	96.6	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	30.6	-172.7	0	0	0	0	0	114.2	K167 E192 F196 Q197 Q217 G218	K167-G194 WeakPolarHBondContact CD-O 3.31Å; K167-G194 WeakPolarHBondContact CE-O 3.49Å; K167-G194 PolarHBondContact NZ-O 3.13Å; E192-G194 PolarHBondContact O-N 3.15Å; E192-G194 VanDerWaalsContact O-N 3.15Å; G194-F196 PolarHBondContact O-N 3.02Å; G194-Q197 WeakPolarHBondContact O-CB 3.41Å; G194-Q197 PolarHBondContact O-N 2.92Å; G194-Q197 VanDerWaalsContact O-N 3.11Å; G194-Q217 WeakPolarHBondContact CA-O 3.5Å; G194-Q217 PolarHBondContact N-O 3.08Å; G194-G218 WeakPolarHBondContact CA-O 3.23Å
195	A	96.8	Very high	96.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-53.3	-43.6	174.9	0	0	0	0	0	112.2	V165 K167 I191 E192 N193 Q197	V165-A195 HydrophobicContact CG1-CB 4.26Å; K167-A195 HydrophobicContact CB-CB 4.49Å; I191-A195 HydrophobicContact CG2-CB 4.31Å; E192-A195 HydrophobicContact CB-CB 4.24Å; E192-A195 VanDerWaalsContact O-CB 3.25Å; E192-A195 WeakPolarHBondContact O-CB 3.39Å; E192-A195 PolarHBondContact O-N 2.59Å; N193-A195 VanDerWaalsContact C-N 3.34Å; A195-Q197 VanDerWaalsContact C-N 3.31Å; A195-Q197 PolarHBondContact O-N 3.15Å
196	F	96.4	Very high	96.6	Very high	3 Å²	3	51 Å²	51	1%	0.013	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-78.8	-10.5	-179.1	-51.3	-73.8	0	0	0	114	V165 F170 I179 L181 I191 G194 G198 M199 L202 I205 I207 P216 L219 P220	V165-F196 HydrophobicContact CG1-CE1 3.99Å; V165-F196 HydrophobicContact CG1-CZ 3.9Å; F170-F196 HydrophobicContact CD2-CD1 4.16Å; F170-F196 AromaticContact CE2-CD1 3.61Å; F170-F196 HydrophobicContact CE2-CD1 3.61Å; F170-F196 AromaticContact CE2-CE1 3.58Å; F170-F196 HydrophobicContact CE2-CE1 3.58Å; F170-F196 HydrophobicContact CZ-CD1 4.14Å; F170-F196 AromaticContact CZ-CE1 3.91Å; F170-F196 HydrophobicContact CZ-CE1 3.91Å; I179-F196 HydrophobicContact CD1-CD1 4.47Å; L181-F196 HydrophobicContact CD1-CE1 4.14Å; L181-F196 HydrophobicContact CD1-CZ 4.38Å; I191-F196 HydrophobicContact CG2-CE2 3.83Å; I191-F196 HydrophobicContact CG2-CZ 4.38Å; G194-F196 PolarHBondContact O-N 3.02Å; F196-G198 PolarHBondContact O-N 2.93Å; F196-G198 VanDerWaalsContact O-N 3.1Å; F196-M199 HydrophobicContact CB-CE 3.99Å; F196-M199 HydrophobicContact CD1-CE 3.9Å; F196-M199 HydrophobicContact CG-CE 4.45Å; F196-M199 PolarHBondContact O-N 3.07Å; F196-L202 HydrophobicContact CB-CD2 4.34Å; F196-I205 HydrophobicContact CB-CD1 4.17Å; F196-I205 HydrophobicContact CD1-CD1 4.26Å; F196-I205 HydrophobicContact CD2-CD1 4.43Å; F196-I205 HydrophobicContact CG-CD1 4.03Å; F196-I207 HydrophobicContact CE2-CD1 4.09Å; F196-I207 HydrophobicContact CZ-CD1 3.74Å; F196-P216 HydrophobicContact CE2-CB 4.36Å; F196-L219 HydrophobicContact CD2-CD2 3.84Å; F196-L219 HydrophobicContact CG-CD2 4.47Å; F196-P220 HydrophobicContact CB-CG 4.44Å
197	Q	93.6	Very high	96.7	Very high	106 Å²	106	51 Å²	51	50%	0.495	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.6	-21.8	-170.3	-162.1	-176.2	26	0	0	114.1	G194 A195 M199	G194-Q197 WeakPolarHBondContact O-CB 3.41Å; G194-Q197 PolarHBondContact O-N 2.92Å; G194-Q197 VanDerWaalsContact O-N 3.11Å; A195-Q197 VanDerWaalsContact C-N 3.31Å; A195-Q197 PolarHBondContact O-N 3.15Å; Q197-M199 VanDerWaalsContact C-N 3.28Å; Q197-M199 PolarHBondContact O-N 2.81Å
198	G	90.7	Very high	96.7	Very high	26 Å²	26	45.1 Å²	45.1	27%	0.268	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-71.7	-16.6	179.6	0	0	0	0	0	114.8	F196 K200	F196-G198 PolarHBondContact O-N 2.93Å; F196-G198 VanDerWaalsContact O-N 3.1Å; G198-K200 PolarHBondContact O-N 3.13Å
199	M	95.7	Very high	96.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.			trans	-96.2	86.7	-172.2	-66.5	175.2	-79	0	0	111.4	F170 L173 M176 I179 F196 Q197 K201 L202	F170-M199 HydrophobicContact CB-CE 3.52Å; F170-M199 HydrophobicContact CB-CG 4.07Å; F170-M199 HydrophobicContact CB-SD 3.8Å; F170-M199 HydrophobicContact CD1-CE 3.61Å; F170-M199 HydrophobicContact CD1-SD 3.69Å; F170-M199 HydrophobicContact CD2-CE 3.62Å; F170-M199 HydrophobicContact CE1-CE 4.15Å; F170-M199 HydrophobicContact CE1-SD 4.42Å; F170-M199 HydrophobicContact CE2-CE 4.14Å; F170-M199 HydrophobicContact CG-CE 3.31Å; F170-M199 HydrophobicContact CG-SD 3.85Å; F170-M199 HydrophobicContact CZ-CE 4.39Å; L173-M199 HydrophobicContact CB-CG 4.22Å; M176-M199 HydrophobicContact CB-CB 4.21Å; M176-M199 HydrophobicContact CB-CG 4.01Å; M176-M199 HydrophobicContact CB-SD 3.68Å; M176-M199 HydrophobicContact CG-CG 4.35Å; M176-M199 HydrophobicContact CG-SD 3.81Å; I179-M199 HydrophobicContact CD1-CE 3.55Å; I179-M199 HydrophobicContact CD1-SD 3.6Å; F196-M199 HydrophobicContact CB-CE 3.99Å; F196-M199 HydrophobicContact CD1-CE 3.9Å; F196-M199 HydrophobicContact CG-CE 4.45Å; F196-M199 PolarHBondContact O-N 3.07Å; Q197-M199 VanDerWaalsContact C-N 3.28Å; Q197-M199 PolarHBondContact O-N 2.81Å; M199-K201 PolarHBondContact O-N 3.21Å; M199-K201 VanDerWaalsContact O-N 3.09Å; M199-L202 HydrophobicContact CB-CB 3.84Å; M199-L202 HydrophobicContact CB-CD2 4.18Å; M199-L202 HydrophobicContact CE-CD2 3.76Å; M199-L202 WeakPolarHBondContact O-CB 3.2Å; M199-L202 PolarHBondContact O-N 3.41Å; M199-L202 VanDerWaalsContact O-N 3.11Å; M199-L202 HydrophobicContact SD-CD2 4.23Å
200	K	93.6	Very high	96.8	Very high	160 Å²	160	42.3 Å²	42.3	70%	0.696	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.7	-170.2	-55.3	-176.1	-174.4	-179.8	0	116.2	N174 G198	N174-K200 WeakPolarHBondContact OD1-CD 3.41Å; G198-K200 PolarHBondContact O-N 3.13Å
201	K	97.3	Very high	96.8	Very high	114 Å²	114	44.2 Å²	44.2	50%	0.496	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	1.4	177.5	-74.6	-169.9	178.2	-178.2	0	113.4	N174 M176 M199 S203	N174-K201 WeakPolarHBondContact O-CD 3.47Å; N174-K201 WeakPolarHBondContact O-CG 3.46Å; M176-K201 CarbonylContact O-C 3.13Å; M176-K201 WeakPolarHBondContact O-CB 3.32Å; M199-K201 PolarHBondContact O-N 3.21Å; M199-K201 VanDerWaalsContact O-N 3.09Å; K201-S203 PolarHBondContact O-N 3.01Å; K201-S203 VanDerWaalsContact O-N 3.15Å
202	L	98.1	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.			trans	-66.2	119.5	-171.4	-170.4	64.5	0	0	0	109.5	M176 I179 F196 M199 I205 P220 S222 L223	M176-L202 HydrophobicContact CB-CD1 4.35Å; M176-L202 VanDerWaalsContact O-CA 3.23Å; M176-L202 WeakPolarHBondContact O-CA 3.26Å; M176-L202 PolarHBondContact O-N 3.1Å; I179-L202 HydrophobicContact CB-CD1 4.38Å; I179-L202 HydrophobicContact CD1-CD1 4.02Å; I179-L202 HydrophobicContact CD1-CD2 4.11Å; I179-L202 HydrophobicContact CG1-CD1 3.91Å; F196-L202 HydrophobicContact CB-CD2 4.34Å; M199-L202 HydrophobicContact CB-CB 3.84Å; M199-L202 HydrophobicContact CB-CD2 4.18Å; M199-L202 HydrophobicContact CE-CD2 3.76Å; M199-L202 WeakPolarHBondContact O-CB 3.2Å; M199-L202 PolarHBondContact O-N 3.41Å; M199-L202 VanDerWaalsContact O-N 3.11Å; M199-L202 HydrophobicContact SD-CD2 4.23Å; L202-I205 HydrophobicContact CD1-CG1 4.47Å; L202-I205 HydrophobicContact CD2-CD1 3.57Å; L202-I205 HydrophobicContact CD2-CG1 3.62Å; L202-I205 HydrophobicContact CG-CD1 4.37Å; L202-I205 HydrophobicContact CG-CG1 4.02Å; L202-P220 HydrophobicContact CB-CG 4.11Å; L202-P220 HydrophobicContact CD2-CG 3.99Å; L202-S222 PolarHBondContact N-OG 2.84Å; L202-S222 CarbonylContact O-C 3.36Å; L202-S222 WeakPolarHBondContact O-CB 3.33Å; L202-S222 PolarHBondContact O-OG 3.45Å; L202-L223 HydrophobicContact CD2-CD2 4.48Å; L202-L223 HydrophobicContact CG-CD2 4.04Å; L202-L223 WeakPolarHBondContact O-CA 3.46Å; L202-L223 PolarHBondContact O-N 3.32Å
203	S	98.5	Very high	96.9	Very high	31 Å²	31	42.8 Å²	42.8	22%	0.217	22%	0.217	C	C	.	.			trans	-109.5	-37.6	-171	-171.3	0	0	0	0	111.2	I177 K201 T224 E225	I177-S203 PolarHBondContact O-N 2.89Å; K201-S203 PolarHBondContact O-N 3.01Å; K201-S203 VanDerWaalsContact O-N 3.15Å; S203-T224 PolarHBondContact O-N 3.2Å; S203-T224 PolarHBondContact O-OG1 2.82Å; S203-T224 PolarHBondContact OG-OG1 2.95Å; S203-E225 PolarHBondContact O-N 2.9Å
204	Y	98.8	Very high	97	Very high	61 Å²	61	38.7 Å²	38.7	24%	0.239	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.5	-178.3	-178.5	-80.2	0	0	0	110.6	I177 V178 I179 R206 E225 H227	I177-Y204 PolarHBondContact O-N 3.5Å; V178-Y204 HydrophobicContact CG1-CD1 3.89Å; V178-Y204 HydrophobicContact CG1-CE1 4.49Å; I179-Y204 PolarHBondContact N-O 3.28Å; Y204-R206 HydrophobicContact CE1-CB 3.59Å; Y204-R206 WeakPolarHBondContact OH-CD 3.25Å; Y204-E225 WeakPolarHBondContact CA-O 3.47Å; Y204-E225 HydrophobicContact CD2-CB 3.82Å; Y204-E225 HydrophobicContact CD2-CG 4.45Å; Y204-E225 HydrophobicContact CE2-CB 4.47Å; Y204-H227 AromaticContact CD2-CD2 4Å; Y204-H227 AromaticContact CE2-CD2 3.33Å; Y204-H227 WeakPolarHBondContact CE2-CD2 3.14Å; Y204-H227 AromaticContact CE2-NE2 3.54Å; Y204-H227 AromaticContact CZ-CD2 3.67Å
205	I	98.4	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.7	162.8	-68.6	171.5	0	0	0	108.6	I179 F196 L202 I207 L219 L223 E225 L226 H227	I179-I205 WeakPolarHBondContact O-CA 3.45Å; F196-I205 HydrophobicContact CB-CD1 4.17Å; F196-I205 HydrophobicContact CD1-CD1 4.26Å; F196-I205 HydrophobicContact CD2-CD1 4.43Å; F196-I205 HydrophobicContact CG-CD1 4.03Å; L202-I205 HydrophobicContact CD1-CG1 4.47Å; L202-I205 HydrophobicContact CD2-CD1 3.57Å; L202-I205 HydrophobicContact CD2-CG1 3.62Å; L202-I205 HydrophobicContact CG-CD1 4.37Å; L202-I205 HydrophobicContact CG-CG1 4.02Å; I205-I207 HydrophobicContact CG2-CD1 3.98Å; I205-I207 HydrophobicContact CG2-CG1 3.7Å; I205-L219 HydrophobicContact CD1-CD2 3.82Å; I205-L223 HydrophobicContact CB-CD2 4.37Å; I205-L223 HydrophobicContact CD1-CD1 4Å; I205-L223 HydrophobicContact CD1-CD2 3.85Å; I205-L223 HydrophobicContact CG1-CD2 3.78Å; I205-E225 PolarHBondContact N-O 3.45Å; I205-E225 VanDerWaalsContact N-O 3.15Å; I205-L226 HydrophobicContact CB-CD1 4.21Å; I205-L226 HydrophobicContact CG2-CD1 4.26Å; I205-H227 PolarHBondContact O-N 3.46Å
206	R	98.7	Very high	97.2	Very high	51 Å²	51	39 Å²	39	19%	0.192	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.2	161.1	-173	155	175.1	-91.2	0.4	111.7	I179 E180 L181 Y204 A208 D209 H227 D229	I179-R206 PolarHBondContact O-N 3.06Å; E180-R206 IonicContact OE1-NH1 2.75Å; E180-R206 WeakPolarHBondContact OE2-CB 3.49Å; E180-R206 WeakPolarHBondContact OE2-CD 3.11Å; E180-R206 WeakPolarHBondContact OE2-CG 3.39Å; E180-R206 IonicContact OE2-CZ 2.93Å; E180-R206 IonicContact OE2-NH1 3.9Å; E180-R206 PolarHBondContact OE2-NH1 3.09Å; L181-R206 PolarHBondContact N-O 3.17Å; Y204-R206 HydrophobicContact CE1-CB 3.59Å; Y204-R206 WeakPolarHBondContact OH-CD 3.25Å; R206-A208 HydrophobicContact CG-CB 3.93Å; R206-D209 IonicContact NH2-OD2 3.91Å; R206-H227 VanDerWaalsContact CA-O 3.31Å; R206-H227 WeakPolarHBondContact CA-O 3.39Å; R206-H227 HydrophobicContact CB-CB 3.93Å; R206-H227 HydrophobicContact CG-CB 3.71Å; R206-D229 IonicContact CZ-OD2 2.66Å; R206-D229 IonicContact NE-OD1 3.8Å; R206-D229 PolarHBondContact NE-OD1 2.95Å; R206-D229 VanDerWaalsContact NE-OD1 3.15Å; R206-D229 IonicContact NE-OD2 3.55Å; R206-D229 PolarHBondContact NE-OD2 3.46Å; R206-D229 VanDerWaalsContact NE-OD2 3.11Å; R206-D229 IonicContact NH2-OD2 3.09Å; R206-D229 PolarHBondContact NH2-OD2 3.24Å
207	I	98.4	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.			trans	-131.3	69.9	173.4	-49.3	175.3	0	0	0	106.3	L181 L186 I191 F196 I205 T210 I212 P216 H227 L228 N231	L181-I207 HydrophobicContact CB-CG1 4.39Å; L186-I207 HydrophobicContact CD2-CG2 4.11Å; I191-I207 HydrophobicContact CD1-CD1 4.43Å; F196-I207 HydrophobicContact CE2-CD1 4.09Å; F196-I207 HydrophobicContact CZ-CD1 3.74Å; I205-I207 HydrophobicContact CG2-CD1 3.98Å; I205-I207 HydrophobicContact CG2-CG1 3.7Å; I207-T210 HydrophobicContact CG2-CG2 3.74Å; I207-I212 HydrophobicContact CG2-CD1 4.44Å; I207-P216 HydrophobicContact CD1-CG 4.4Å; I207-H227 PolarHBondContact N-O 2.85Å; I207-L228 HydrophobicContact CB-CD2 3.89Å; I207-L228 HydrophobicContact CD1-CD2 4.41Å; I207-L228 HydrophobicContact CG1-CD2 4.33Å; I207-N231 PolarHBondContact O-ND2 2.84Å
208	A	98.1	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.			trans	-91.2	159.7	-175.7	0	0	0	0	0	113	G182 T183 R206 T210 D229	G182-A208 CarbonylContact C-O 3.54Å; G182-A208 WeakPolarHBondContact CA-O 3.31Å; T183-A208 PolarHBondContact N-O 3.22Å; R206-A208 HydrophobicContact CG-CB 3.93Å; A208-T210 VanDerWaalsContact C-N 3.3Å; A208-T210 WeakPolarHBondContact O-CG2 3.47Å; A208-T210 PolarHBondContact O-N 3.05Å; A208-D229 CarbonylContact C-O 3.42Å; A208-D229 WeakPolarHBondContact CA-O 3.42Å; A208-D229 WeakPolarHBondContact CB-O 3.15Å; A208-D229 WeakPolarHBondContact CB-OD2 3.33Å
209	D	98.1	Very high	97.5	Very high	81 Å²	81	38.2 Å²	38.2	43%	0.433	20%	0.198	S	C	.	.	S	Bend	trans	56	39.8	169	-52.6	-61.4	0	0	0	113.8	R206 D229 G230	R206-D209 IonicContact NH2-OD2 3.91Å; D209-D229 PolarHBondContact N-O 3.36Å; D209-G230 WeakPolarHBondContact CA-O 3.32Å
210	T	98.1	Very high	97.6	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.025	20%	0.198	C	C	.	.	S	Bend	trans	-116.8	-166.6	-179.8	81.3	0	0	0	0	112.8	N184 I207 A208 I212 N231	N184-T210 HydrophobicContact CB-CG2 4.39Å; N184-T210 WeakPolarHBondContact O-CA 3.39Å; N184-T210 VanDerWaalsContact O-CB 3.26Å; N184-T210 WeakPolarHBondContact O-CB 3.45Å; I207-T210 HydrophobicContact CG2-CG2 3.74Å; A208-T210 VanDerWaalsContact C-N 3.3Å; A208-T210 WeakPolarHBondContact O-CG2 3.47Å; A208-T210 PolarHBondContact O-N 3.05Å; T210-I212 PolarHBondContact OG1-N 3.16Å; T210-N231 VanDerWaalsContact CA-OD1 3.31Å; T210-N231 WeakPolarHBondContact CA-OD1 3.31Å; T210-N231 WeakPolarHBondContact CB-OD1 3.46Å; T210-N231 PolarHBondContact N-OD1 3.28Å; T210-N231 PolarHBondContact O-OD1 3.16Å; T210-N231 PolarHBondContact OG1-OD1 2.85Å
211	N	97.8	Very high	97.7	Very high	54 Å²	54	34.3 Å²	34.3	29%	0.289	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-110.8	22.5	178.3	-64.7	-90.5	0	0	0	112.8	L186 K187 K232	L186-N211 CarbonylContact O-C 3.51Å; L186-N211 WeakPolarHBondContact O-CA 3.28Å; L186-N211 VanDerWaalsContact O-CB 3.31Å; L186-N211 WeakPolarHBondContact O-CB 3.41Å; L186-N211 PolarHBondContact O-N 2.81Å; K187-N211 HydrophobicContact CG-CB 3.85Å; N211-K232 PolarHBondContact OD1-NZ 3.48Å
212	I	98.3	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.174	C	C	.	.			trans	-67.3	141	169.1	67	177.8	0	0	0	110.9	L186 I191 I207 T210 L228 N231 K232 I233	L186-I212 PolarHBondContact O-N 2.7Å; I191-I212 HydrophobicContact CD1-CG2 3.88Å; I207-I212 HydrophobicContact CG2-CD1 4.44Å; T210-I212 PolarHBondContact OG1-N 3.16Å; I212-L228 HydrophobicContact CD1-CD2 3.88Å; I212-N231 HydrophobicContact CD1-CB 4.4Å; I212-N231 HydrophobicContact CG1-CB 3.79Å; I212-N231 WeakPolarHBondContact CG1-OD1 3.43Å; I212-K232 CarbonylContact O-C 3.02Å; I212-K232 WeakPolarHBondContact O-CA 3.23Å; I212-K232 PolarHBondContact O-N 2.94Å; I212-I233 HydrophobicContact CD1-CD1 4.18Å; I212-I233 HydrophobicContact CG1-CD1 4.43Å; I212-I233 HydrophobicContact CG1-CG1 4.25Å; I212-I233 PolarHBondContact O-N 3.02Å
213	T	98.1	Very high	97.8	Very high	74 Å²	74	30.2 Å²	30.2	45%	0.454	17%	0.174	S	C	.	.			trans	-116.5	1.8	-178.2	54.2	0	0	0	0	113.2	S188 K232 S234	S188-T213 PolarHBondContact OG-N 3.39Å; S188-T213 PolarHBondContact OG-OG1 3.43Å; T213-K232 WeakPolarHBondContact CA-O 3.36Å; T213-K232 HydrophobicContact CG2-CB 4.12Å; T213-S234 PolarHBondContact O-N 2.93Å
214	S	97.9	Very high	97.8	Very high	44 Å²	44	31 Å²	31	31%	0.308	18%	0.178	S	C	.	.	S	Bend	trans	-152.9	152.6	-177.7	60	0	0	0	0	109.4	S188	S188-S214 WeakPolarHBondContact CB-OG 3.29Å; S188-S214 PolarHBondContact OG-N 3.33Å; S188-S214 PolarHBondContact OG-OG 2.91Å
215	I	98.3	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-65.1	137.8	170.2	-60	169	0	0	0	108.6	L219 L226 L228 I233 V236 S240 L241 L252	I215-L219 HydrophobicContact CG2-CD1 4.13Å; I215-L226 HydrophobicContact CG2-CD2 4.34Å; I215-L228 HydrophobicContact CB-CD1 4.24Å; I215-L228 HydrophobicContact CG1-CD1 3.94Å; I215-L228 HydrophobicContact CG2-CD1 3.9Å; I215-I233 HydrophobicContact CG1-CD1 4.23Å; I215-V236 HydrophobicContact CD1-CB 4.38Å; I215-V236 HydrophobicContact CD1-CG1 3.89Å; I215-V236 HydrophobicContact CD1-CG2 4.27Å; I215-S240 WeakPolarHBondContact CB-OG 3.33Å; I215-L241 HydrophobicContact CD1-CD2 4.25Å; I215-L252 HydrophobicContact CD1-CD1 4.41Å; I215-L252 HydrophobicContact CD1-CD2 4.24Å; I215-L252 HydrophobicContact CG1-CD2 4.26Å
216	P	97.4	Very high	97.8	Very high	10 Å²	10	30.2 Å²	30.2	7%	0.065	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-60.6	137.3	177.9	-24.7	34.7	0	0	0	112.9	I191 F196 I207 L219	I191-P216 HydrophobicContact CD1-CG 4.04Å; I191-P216 HydrophobicContact CG2-CB 4.44Å; F196-P216 HydrophobicContact CE2-CB 4.36Å; I207-P216 HydrophobicContact CD1-CG 4.4Å; P216-L219 HydrophobicContact CB-CD2 4.2Å; P216-L219 HydrophobicContact CB-CG 4.36Å; P216-L219 WeakPolarHBondContact O-CG 3.49Å
217	Q	96	Very high	97.8	Very high	73 Å²	73	29.2 Å²	29.2	34%	0.341	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	142.1	179.8	-64.2	-69.8	-25.1	0	0	111.4	G194 D237	G194-Q217 WeakPolarHBondContact CA-O 3.5Å; G194-Q217 PolarHBondContact N-O 3.08Å; Q217-D237 PolarHBondContact NE2-OD2 3.38Å
218	G	95.6	Very high	97.8	Very high	32 Å²	32	29.2 Å²	29.2	33%	0.33	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	32.7	176	0	0	0	0	0	115	G194	G194-G218 WeakPolarHBondContact CA-O 3.23Å
219	L	97.4	Very high	97.8	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.068	18%	0.182	C	C	.	.			trans	-58.9	148	171.9	-70.9	167	0	0	0	111.6	F196 I205 I215 P216 L223 L226 L244	F196-L219 HydrophobicContact CD2-CD2 3.84Å; F196-L219 HydrophobicContact CG-CD2 4.47Å; I205-L219 HydrophobicContact CD1-CD2 3.82Å; I215-L219 HydrophobicContact CG2-CD1 4.13Å; P216-L219 HydrophobicContact CB-CD2 4.2Å; P216-L219 HydrophobicContact CB-CG 4.36Å; P216-L219 WeakPolarHBondContact O-CG 3.49Å; L219-L223 HydrophobicContact CB-CD1 3.95Å; L219-L223 HydrophobicContact CD1-CD1 4.48Å; L219-L223 HydrophobicContact CD2-CD1 4.23Å; L219-L223 HydrophobicContact CG-CD1 4.46Å; L219-L226 HydrophobicContact CD1-CD1 4.12Å; L219-L226 HydrophobicContact CD1-CD2 3.61Å; L219-L244 HydrophobicContact CB-CD1 4.42Å; L219-L244 HydrophobicContact CB-CD2 3.98Å; L219-L244 HydrophobicContact CD1-CD1 4.23Å
220	P	96.5	Very high	97.8	Very high	2 Å²	2	28 Å²	28	1%	0.013	17%	0.173	C	C	.	.			trans	-71.5	138.1	-177	26.1	-31.1	0	0	0	111.7	F196 L202 S222 L223 L244	F196-P220 HydrophobicContact CB-CG 4.44Å; L202-P220 HydrophobicContact CB-CG 4.11Å; L202-P220 HydrophobicContact CD2-CG 3.99Å; P220-S222 PolarHBondContact O-N 3.4Å; P220-L223 HydrophobicContact CG-CD1 4.46Å; P220-L223 HydrophobicContact CG-CG 4.15Å; P220-L223 WeakPolarHBondContact O-CG 3.49Å; P220-L223 PolarHBondContact O-N 3.31Å; P220-L244 WeakPolarHBondContact O-CD2 3.5Å
221	P	96.9	Very high	97.9	Very high	77 Å²	77	28.1 Å²	28.1	50%	0.5	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.4	-176.4	31.3	-37.7	0	0	0	114	L223 G243 N246	P221-L223 VanDerWaalsContact C-N 3.31Å; P221-G243 WeakPolarHBondContact CB-O 3.32Å; P221-N246 PolarHBondContact O-ND2 2.93Å
222	S	97.8	Very high	97.9	Very high	27 Å²	27	30.9 Å²	30.9	19%	0.189	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.2	173.2	54.1	0	0	0	0	113.9	L202 P220 T224	L202-S222 PolarHBondContact N-OG 2.84Å; L202-S222 CarbonylContact O-C 3.36Å; L202-S222 WeakPolarHBondContact O-CB 3.33Å; L202-S222 PolarHBondContact O-OG 3.45Å; P220-S222 PolarHBondContact O-N 3.4Å; S222-T224 PolarHBondContact O-N 2.87Å
223	L	98.5	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.183	C	C	.	.			trans	-60.8	133.7	-178	-69.8	173.9	0	0	0	111.8	L202 I205 L219 P220 P221 L244 N246 L247	L202-L223 HydrophobicContact CD2-CD2 4.48Å; L202-L223 HydrophobicContact CG-CD2 4.04Å; L202-L223 WeakPolarHBondContact O-CA 3.46Å; L202-L223 PolarHBondContact O-N 3.32Å; I205-L223 HydrophobicContact CB-CD2 4.37Å; I205-L223 HydrophobicContact CD1-CD1 4Å; I205-L223 HydrophobicContact CD1-CD2 3.85Å; I205-L223 HydrophobicContact CG1-CD2 3.78Å; L219-L223 HydrophobicContact CB-CD1 3.95Å; L219-L223 HydrophobicContact CD1-CD1 4.48Å; L219-L223 HydrophobicContact CD2-CD1 4.23Å; L219-L223 HydrophobicContact CG-CD1 4.46Å; P220-L223 HydrophobicContact CG-CD1 4.46Å; P220-L223 HydrophobicContact CG-CG 4.15Å; P220-L223 WeakPolarHBondContact O-CG 3.49Å; P220-L223 PolarHBondContact O-N 3.31Å; P221-L223 VanDerWaalsContact C-N 3.31Å; L223-L244 HydrophobicContact CD1-CD2 4.39Å; L223-N246 CarbonylContact O-C 3.17Å; L223-L247 HydrophobicContact CB-CD1 4.02Å; L223-L247 WeakPolarHBondContact O-CA 3.38Å; L223-L247 PolarHBondContact O-N 3.28Å
224	T	98.7	Very high	97.9	Very high	49 Å²	49	30.2 Å²	30.2	30%	0.301	18%	0.182	S	C	.	.	S	Bend	trans	-107.8	-26.9	168.4	65.1	0	0	0	0	111.4	S203 S222 A248 K249	S203-T224 PolarHBondContact O-N 3.2Å; S203-T224 PolarHBondContact O-OG1 2.82Å; S203-T224 PolarHBondContact OG-OG1 2.95Å; S222-T224 PolarHBondContact O-N 2.87Å; T224-A248 WeakPolarHBondContact O-CA 3.48Å; T224-A248 PolarHBondContact O-N 2.83Å; T224-K249 PolarHBondContact O-N 2.91Å
225	E	98.8	Very high	97.9	Very high	44 Å²	44	34 Å²	34	21%	0.206	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.7	176.7	-59.8	-161.2	-170.6	0	0	112	S203 Y204 I205 H227 K249	S203-E225 PolarHBondContact O-N 2.9Å; Y204-E225 WeakPolarHBondContact CA-O 3.47Å; Y204-E225 HydrophobicContact CD2-CB 3.82Å; Y204-E225 HydrophobicContact CD2-CG 4.45Å; Y204-E225 HydrophobicContact CE2-CB 4.47Å; I205-E225 PolarHBondContact N-O 3.45Å; I205-E225 VanDerWaalsContact N-O 3.15Å; E225-H227 IonicContact OE2-CD2 3.56Å; E225-H227 IonicContact OE2-CE1 3.93Å; E225-H227 IonicContact OE2-NE2 3.84Å; E225-H227 PolarHBondContact OE2-NE2 2.88Å; E225-K249 HydrophobicContact CB-CB 4.49Å; E225-K249 HydrophobicContact CG-CB 4.08Å; E225-K249 HydrophobicContact CG-CD 4.08Å; E225-K249 HydrophobicContact CG-CG 4.09Å; E225-K249 WeakPolarHBondContact OE1-CD 3.23Å; E225-K249 WeakPolarHBondContact OE1-CE 3.16Å; E225-K249 IonicContact OE1-NZ 3.15Å; E225-K249 PolarHBondContact OE1-NZ 3.33Å; E225-K249 IonicContact OE2-NZ 3.11Å
226	L	98.8	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.8	174.1	177.6	63.3	0	0	0	109.2	I205 I215 L219 L228 L244 L247 K249 L250 G251	I205-L226 HydrophobicContact CB-CD1 4.21Å; I205-L226 HydrophobicContact CG2-CD1 4.26Å; I215-L226 HydrophobicContact CG2-CD2 4.34Å; L219-L226 HydrophobicContact CD1-CD1 4.12Å; L219-L226 HydrophobicContact CD1-CD2 3.61Å; L226-L228 HydrophobicContact CD1-CD1 4.19Å; L226-L228 HydrophobicContact CD1-CD2 4.17Å; L226-L228 HydrophobicContact CD1-CG 4.07Å; L226-L228 HydrophobicContact CD2-CD1 4.14Å; L226-L228 HydrophobicContact CG-CD1 4.1Å; L226-L228 HydrophobicContact CG-CG 4.13Å; L226-L244 HydrophobicContact CD2-CD1 4.42Å; L226-L247 HydrophobicContact CB-CD1 3.78Å; L226-L247 HydrophobicContact CB-CD2 4.47Å; L226-K249 PolarHBondContact N-O 3.02Å; L226-K249 VanDerWaalsContact N-O 3.11Å; L226-L250 HydrophobicContact CB-CD1 4.19Å; L226-L250 HydrophobicContact CD2-CD1 3.92Å; L226-L250 HydrophobicContact CG-CD1 4.13Å; L226-L250 WeakPolarHBondContact O-CA 3.44Å; L226-G251 PolarHBondContact O-N 2.78Å
227	H	98.8	Very high	97.8	Very high	29 Å²	29	34.8 Å²	34.8	13%	0.134	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.2	-177.9	-61.6	-74.6	0	0	0	110.4	Y204 I205 R206 I207 E225	Y204-H227 AromaticContact CD2-CD2 4Å; Y204-H227 AromaticContact CE2-CD2 3.33Å; Y204-H227 WeakPolarHBondContact CE2-CD2 3.14Å; Y204-H227 AromaticContact CE2-NE2 3.54Å; Y204-H227 AromaticContact CZ-CD2 3.67Å; I205-H227 PolarHBondContact O-N 3.46Å; R206-H227 VanDerWaalsContact CA-O 3.31Å; R206-H227 WeakPolarHBondContact CA-O 3.39Å; R206-H227 HydrophobicContact CB-CB 3.93Å; R206-H227 HydrophobicContact CG-CB 3.71Å; I207-H227 PolarHBondContact N-O 2.85Å; E225-H227 IonicContact OE2-CD2 3.56Å; E225-H227 IonicContact OE2-CE1 3.93Å; E225-H227 IonicContact OE2-NE2 3.84Å; E225-H227 PolarHBondContact OE2-NE2 2.88Å
228	L	98.8	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.			trans	-130.7	35.9	-177.5	-57.6	174.1	0	0	0	109.9	I207 I212 I215 L226 N231 I233 G251 L252 N255	I207-L228 HydrophobicContact CB-CD2 3.89Å; I207-L228 HydrophobicContact CD1-CD2 4.41Å; I207-L228 HydrophobicContact CG1-CD2 4.33Å; I212-L228 HydrophobicContact CD1-CD2 3.88Å; I215-L228 HydrophobicContact CB-CD1 4.24Å; I215-L228 HydrophobicContact CG1-CD1 3.94Å; I215-L228 HydrophobicContact CG2-CD1 3.9Å; L226-L228 HydrophobicContact CD1-CD1 4.19Å; L226-L228 HydrophobicContact CD1-CD2 4.17Å; L226-L228 HydrophobicContact CD1-CG 4.07Å; L226-L228 HydrophobicContact CD2-CD1 4.14Å; L226-L228 HydrophobicContact CG-CD1 4.1Å; L226-L228 HydrophobicContact CG-CG 4.13Å; L228-N231 PolarHBondContact O-ND2 2.75Å; L228-I233 HydrophobicContact CB-CD1 3.91Å; L228-I233 HydrophobicContact CD1-CD1 4.14Å; L228-G251 PolarHBondContact N-O 2.78Å; L228-L252 HydrophobicContact CB-CD2 4.05Å; L228-L252 HydrophobicContact CD1-CD2 4.28Å; L228-N255 PolarHBondContact O-ND2 2.87Å
229	D	98.2	Very high	97.9	Very high	32 Å²	32	34 Å²	34	17%	0.171	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	150	176.9	47.2	-57.5	0	0	0	113.4	R206 A208 D209 N231 S253	R206-D229 IonicContact CZ-OD2 2.66Å; R206-D229 IonicContact NE-OD1 3.8Å; R206-D229 PolarHBondContact NE-OD1 2.95Å; R206-D229 VanDerWaalsContact NE-OD1 3.15Å; R206-D229 IonicContact NE-OD2 3.55Å; R206-D229 PolarHBondContact NE-OD2 3.46Å; R206-D229 VanDerWaalsContact NE-OD2 3.11Å; R206-D229 IonicContact NH2-OD2 3.09Å; R206-D229 PolarHBondContact NH2-OD2 3.24Å; A208-D229 CarbonylContact C-O 3.42Å; A208-D229 WeakPolarHBondContact CA-O 3.42Å; A208-D229 WeakPolarHBondContact CB-O 3.15Å; A208-D229 WeakPolarHBondContact CB-OD2 3.33Å; D209-D229 PolarHBondContact N-O 3.36Å; D229-N231 VanDerWaalsContact C-N 3.31Å; D229-N231 PolarHBondContact O-N 2.86Å; D229-N231 PolarHBondContact O-ND2 3.09Å; D229-N231 VanDerWaalsContact O-ND2 3.08Å; D229-S253 VanDerWaalsContact CA-O 3.32Å; D229-S253 WeakPolarHBondContact CA-O 3.46Å
230	G	98.3	Very high	97.8	Very high	24 Å²	24	33.5 Å²	33.5	25%	0.247	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	17	173.5	0	0	0	0	0	115.8	D209 S253 F254	D209-G230 WeakPolarHBondContact CA-O 3.32Å; G230-S253 PolarHBondContact N-O 2.96Å; G230-S253 VanDerWaalsContact N-O 3.08Å; G230-F254 CarbonylContact C-O 3.22Å; G230-F254 WeakPolarHBondContact CA-O 3.35Å; G230-F254 PolarHBondContact N-O 2.98Å
231	N	98.7	Very high	97.9	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	19%	0.193	C	C	.	.	S	Bend	trans	-101.6	-169.3	-174	-72	-65.7	0	0	0	113.2	I207 T210 I212 L228 D229 I233 F254 N255	I207-N231 PolarHBondContact O-ND2 2.84Å; T210-N231 VanDerWaalsContact CA-OD1 3.31Å; T210-N231 WeakPolarHBondContact CA-OD1 3.31Å; T210-N231 WeakPolarHBondContact CB-OD1 3.46Å; T210-N231 PolarHBondContact N-OD1 3.28Å; T210-N231 PolarHBondContact O-OD1 3.16Å; T210-N231 PolarHBondContact OG1-OD1 2.85Å; I212-N231 HydrophobicContact CD1-CB 4.4Å; I212-N231 HydrophobicContact CG1-CB 3.79Å; I212-N231 WeakPolarHBondContact CG1-OD1 3.43Å; L228-N231 PolarHBondContact O-ND2 2.75Å; D229-N231 VanDerWaalsContact C-N 3.31Å; D229-N231 PolarHBondContact O-N 2.86Å; D229-N231 PolarHBondContact O-ND2 3.09Å; D229-N231 VanDerWaalsContact O-ND2 3.08Å; N231-I233 HydrophobicContact CB-CD1 4.43Å; N231-I233 HydrophobicContact CB-CG1 4.18Å; N231-F254 PolarHBondContact N-O 2.93Å; N231-N255 WeakPolarHBondContact CA-OD1 3.33Å; N231-N255 WeakPolarHBondContact CB-OD1 3.43Å; N231-N255 PolarHBondContact O-OD1 3.11Å
232	K	98.4	Very high	97.8	Very high	111 Å²	111	37.3 Å²	37.3	48%	0.483	20%	0.202	S	C	.	.			trans	-113.6	25.6	-177.4	-63.5	173.7	-174	173.9	0	111.7	N211 I212 T213 S234 N255	N211-K232 PolarHBondContact OD1-NZ 3.48Å; I212-K232 CarbonylContact O-C 3.02Å; I212-K232 WeakPolarHBondContact O-CA 3.23Å; I212-K232 PolarHBondContact O-N 2.94Å; T213-K232 WeakPolarHBondContact CA-O 3.36Å; T213-K232 HydrophobicContact CG2-CB 4.12Å; K232-S234 PolarHBondContact O-N 3.48Å; K232-N255 PolarHBondContact N-OD1 2.93Å
233	I	98.6	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.			trans	-64.8	131.9	-179.7	-56	173.1	0	0	0	109.2	I212 I215 L228 N231 R235 L252 N255 S256 I257	I212-I233 HydrophobicContact CD1-CD1 4.18Å; I212-I233 HydrophobicContact CG1-CD1 4.43Å; I212-I233 HydrophobicContact CG1-CG1 4.25Å; I212-I233 PolarHBondContact O-N 3.02Å; I215-I233 HydrophobicContact CG1-CD1 4.23Å; L228-I233 HydrophobicContact CB-CD1 3.91Å; L228-I233 HydrophobicContact CD1-CD1 4.14Å; N231-I233 HydrophobicContact CB-CD1 4.43Å; N231-I233 HydrophobicContact CB-CG1 4.18Å; I233-R235 VanDerWaalsContact CG2-O 3.26Å; I233-R235 WeakPolarHBondContact CG2-O 3.1Å; I233-L252 HydrophobicContact CD1-CD2 3.93Å; I233-N255 WeakPolarHBondContact CB-OD1 3.29Å; I233-N255 WeakPolarHBondContact CG1-OD1 3.5Å; I233-N255 PolarHBondContact N-OD1 3.44Å; I233-S256 CarbonylContact O-C 3.13Å; I233-S256 VanDerWaalsContact O-CA 3.3Å; I233-S256 WeakPolarHBondContact O-CA 3.38Å; I233-S256 PolarHBondContact O-N 2.84Å; I233-I257 HydrophobicContact CB-CG1 4.25Å; I233-I257 HydrophobicContact CG2-CD1 4.37Å; I233-I257 HydrophobicContact CG2-CG1 4.01Å; I233-I257 WeakPolarHBondContact O-CG1 3.45Å; I233-I257 PolarHBondContact O-N 3.21Å
234	S	97.9	Very high	97.7	Very high	61 Å²	61	37.4 Å²	37.4	43%	0.427	21%	0.206	S	C	.	.			trans	-108.8	-18.8	-175	59.9	0	0	0	0	114.6	T213 K232 I257 S258	T213-S234 PolarHBondContact O-N 2.93Å; K232-S234 PolarHBondContact O-N 3.48Å; S234-I257 WeakPolarHBondContact O-CA 3.31Å; S234-S258 PolarHBondContact O-N 2.69Å; S234-S258 PolarHBondContact O-OG 3.04Å
235	R	97.8	Very high	97.6	Very high	124 Å²	124	39 Å²	39	47%	0.468	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155.1	175.4	69.6	-174.8	-66.7	161.3	0.2	111.4	I233 V259 D261	I233-R235 VanDerWaalsContact CG2-O 3.26Å; I233-R235 WeakPolarHBondContact CG2-O 3.1Å; R235-V259 VanDerWaalsContact CA-O 3.28Å; R235-V259 WeakPolarHBondContact CA-O 3.16Å; R235-D261 IonicContact CZ-OD1 3.83Å; R235-D261 IonicContact CZ-OD2 3.55Å; R235-D261 IonicContact NE-OD2 2.87Å; R235-D261 IonicContact NH2-OD1 2.91Å; R235-D261 PolarHBondContact NH2-OD1 3.13Å; R235-D261 IonicContact NH2-OD2 2.73Å; R235-D261 PolarHBondContact NH2-OD2 2.85Å
236	V	98.3	Very high	97.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105.2	166.2	178.4	0	0	0	0	108.3	I215 L241 L252 I257 V259 V260 D261 S264 L276	I215-V236 HydrophobicContact CD1-CB 4.38Å; I215-V236 HydrophobicContact CD1-CG1 3.89Å; I215-V236 HydrophobicContact CD1-CG2 4.27Å; V236-L241 HydrophobicContact CG1-CD1 3.84Å; V236-L252 HydrophobicContact CG2-CD1 3.68Å; V236-I257 HydrophobicContact CG2-CD1 3.91Å; V236-I257 HydrophobicContact CG2-CG1 4.49Å; V236-I257 HydrophobicContact CG2-CG2 4.05Å; V236-V259 PolarHBondContact N-O 3.31Å; V236-V260 HydrophobicContact CB-CB 4.3Å; V236-V260 HydrophobicContact CB-CG1 4.07Å; V236-V260 HydrophobicContact CB-CG2 4.06Å; V236-V260 HydrophobicContact CG1-CG1 4.19Å; V236-V260 HydrophobicContact CG2-CG2 4.07Å; V236-D261 PolarHBondContact O-N 3.22Å; V236-S264 PolarHBondContact O-OG 3.44Å; V236-L276 HydrophobicContact CG2-CD2 4.49Å
237	D	95.9	Very high	97.6	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.123	23%	0.227	C	C	.	.			trans	-85.5	146	179.3	70.3	-66.7	0	0	0	112.3	Q217 A239 S240 D261	Q217-D237 PolarHBondContact NE2-OD2 3.38Å; D237-A239 PolarHBondContact O-N 3.09Å; D237-A239 WeakPolarHBondContact OD2-CB 3.39Å; D237-A239 PolarHBondContact OD2-N 2.81Å; D237-S240 VanDerWaalsContact CG-OG 3.23Å; D237-S240 PolarHBondContact O-OG 2.84Å; D237-S240 VanDerWaalsContact O-OG 3.1Å; D237-S240 VanDerWaalsContact OD1-CB 3.28Å; D237-S240 WeakPolarHBondContact OD1-CB 3.13Å; D237-S240 PolarHBondContact OD1-OG 3.29Å; D237-S240 WeakPolarHBondContact OD2-CB 3.44Å; D237-S240 PolarHBondContact OD2-N 3.18Å; D237-S240 PolarHBondContact OD2-OG 3.24Å; D237-D261 WeakPolarHBondContact CA-OD2 3.35Å
238	A	95.9	Very high	97.6	Very high	28 Å²	28	41.2 Å²	41.2	23%	0.231	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.2	-179.6	0	0	0	0	0	113.2	S264 N267	A238-S264 VanDerWaalsContact CA-OG 3.27Å; A238-S264 WeakPolarHBondContact CA-OG 3.48Å; A238-S264 PolarHBondContact N-OG 2.96Å; A238-S264 VanDerWaalsContact N-OG 3.15Å; A238-N267 PolarHBondContact O-ND2 3.21Å
239	A	96.1	Very high	97.6	Very high	59 Å²	59	43.9 Å²	43.9	49%	0.488	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-41	-176.5	0	0	0	0	0	112.8	D237 L241 K242	D237-A239 PolarHBondContact O-N 3.09Å; D237-A239 WeakPolarHBondContact OD2-CB 3.39Å; D237-A239 PolarHBondContact OD2-N 2.81Å; A239-L241 VanDerWaalsContact C-N 3.32Å; A239-L241 PolarHBondContact O-N 3.21Å; A239-K242 WeakPolarHBondContact O-CB 3.19Å; A239-K242 PolarHBondContact O-N 3.48Å; A239-K242 VanDerWaalsContact O-N 3.13Å
240	S	96.4	Very high	97.6	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.021	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-35.9	179.2	57.4	0	0	0	0	113.3	I215 D237 K242	I215-S240 WeakPolarHBondContact CB-OG 3.33Å; D237-S240 VanDerWaalsContact CG-OG 3.23Å; D237-S240 PolarHBondContact O-OG 2.84Å; D237-S240 VanDerWaalsContact O-OG 3.1Å; D237-S240 VanDerWaalsContact OD1-CB 3.28Å; D237-S240 WeakPolarHBondContact OD1-CB 3.13Å; D237-S240 PolarHBondContact OD1-OG 3.29Å; D237-S240 WeakPolarHBondContact OD2-CB 3.44Å; D237-S240 PolarHBondContact OD2-N 3.18Å; D237-S240 PolarHBondContact OD2-OG 3.24Å; S240-K242 VanDerWaalsContact C-N 3.32Å
241	L	97.7	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.2	177	-60.6	-174.9	0	0	0	113.9	I215 V236 A239 G243 L244 L250 N267 T268	I215-L241 HydrophobicContact CD1-CD2 4.25Å; V236-L241 HydrophobicContact CG1-CD1 3.84Å; A239-L241 VanDerWaalsContact C-N 3.32Å; A239-L241 PolarHBondContact O-N 3.21Å; L241-G243 PolarHBondContact O-N 3.27Å; L241-G243 VanDerWaalsContact O-N 3.14Å; L241-L244 HydrophobicContact CD2-CD1 4.09Å; L241-L244 WeakPolarHBondContact O-CB 3.21Å; L241-L244 PolarHBondContact O-N 2.76Å; L241-L250 HydrophobicContact CD1-CD2 4.05Å; L241-L250 HydrophobicContact CD2-CD2 4.15Å; L241-N267 HydrophobicContact CB-CB 4.33Å; L241-N267 WeakPolarHBondContact O-CB 3.19Å; L241-T268 HydrophobicContact CB-CG2 4.11Å; L241-T268 HydrophobicContact CD1-CG2 4.33Å; L241-T268 HydrophobicContact CD2-CG2 4.43Å
242	K	96.3	Very high	97.6	Very high	160 Å²	160	41.2 Å²	41.2	70%	0.696	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	114.9	-170.2	-175.7	177.2	177.3	178.4	0	112.8	A239 S240	A239-K242 WeakPolarHBondContact O-CB 3.19Å; A239-K242 PolarHBondContact O-N 3.48Å; A239-K242 VanDerWaalsContact O-N 3.13Å; S240-K242 VanDerWaalsContact C-N 3.32Å
243	G	95.2	Very high	97.6	Very high	27 Å²	27	36.5 Å²	36.5	28%	0.278	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	10.7	174.7	0	0	0	0	0	114.6	P221 L241 N245	P221-G243 WeakPolarHBondContact CB-O 3.32Å; L241-G243 PolarHBondContact O-N 3.27Å; L241-G243 VanDerWaalsContact O-N 3.14Å; G243-N245 PolarHBondContact O-N 3.14Å
244	L	97.9	Very high	97.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.231	C	C	.	.			trans	-75.5	55.8	171.3	-62.1	-174.2	0	0	0	111	L219 P220 L223 L226 L241 N246 L247 T268	L219-L244 HydrophobicContact CB-CD1 4.42Å; L219-L244 HydrophobicContact CB-CD2 3.98Å; L219-L244 HydrophobicContact CD1-CD1 4.23Å; P220-L244 WeakPolarHBondContact O-CD2 3.5Å; L223-L244 HydrophobicContact CD1-CD2 4.39Å; L226-L244 HydrophobicContact CD2-CD1 4.42Å; L241-L244 HydrophobicContact CD2-CD1 4.09Å; L241-L244 WeakPolarHBondContact O-CB 3.21Å; L241-L244 PolarHBondContact O-N 2.76Å; L244-N246 PolarHBondContact O-N 3.35Å; L244-L247 HydrophobicContact CB-CB 4.13Å; L244-L247 HydrophobicContact CD1-CD2 4.37Å; L244-L247 VanDerWaalsContact O-CB 3.3Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 2.85Å; L244-L247 VanDerWaalsContact O-N 3.11Å; L244-T268 HydrophobicContact CB-CG2 3.98Å
245	N	97.2	Very high	97.7	Very high	82 Å²	82	40 Å²	40	44%	0.439	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.9	-171.1	-68.2	-20.4	0	0	0	113.7	G243 H270	G243-N245 PolarHBondContact O-N 3.14Å; N245-H270 PolarHBondContact O-ND1 3.23Å
246	N	98.1	Very high	97.7	Very high	93 Å²	93	36 Å²	36	50%	0.497	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.2	179.9	-62	-58.9	0	0	0	113.3	P221 L223 L244 A248	P221-N246 PolarHBondContact O-ND2 2.93Å; L223-N246 CarbonylContact O-C 3.17Å; L244-N246 PolarHBondContact O-N 3.35Å; N246-A248 PolarHBondContact O-N 2.86Å
247	L	98.7	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.			trans	-67.5	116.8	-174.4	-162.7	75.6	0	0	0	110.4	L223 L226 L244 L250 T268 H270 L271	L223-L247 HydrophobicContact CB-CD1 4.02Å; L223-L247 WeakPolarHBondContact O-CA 3.38Å; L223-L247 PolarHBondContact O-N 3.28Å; L226-L247 HydrophobicContact CB-CD1 3.78Å; L226-L247 HydrophobicContact CB-CD2 4.47Å; L244-L247 HydrophobicContact CB-CB 4.13Å; L244-L247 HydrophobicContact CD1-CD2 4.37Å; L244-L247 VanDerWaalsContact O-CB 3.3Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 2.85Å; L244-L247 VanDerWaalsContact O-N 3.11Å; L247-L250 HydrophobicContact CD2-CB 4.12Å; L247-L250 HydrophobicContact CD2-CD1 4.41Å; L247-T268 HydrophobicContact CB-CG2 4.18Å; L247-T268 HydrophobicContact CD2-CG2 3.67Å; L247-H270 CarbonylContact O-C 3.18Å; L247-L271 HydrophobicContact CD2-CD1 4.2Å; L247-L271 HydrophobicContact CG-CD1 4.26Å; L247-L271 WeakPolarHBondContact O-CA 3.47Å; L247-L271 PolarHBondContact O-N 3.18Å; L247-L271 VanDerWaalsContact O-N 3.14Å
248	A	98.7	Very high	97.8	Very high	28 Å²	28	37.4 Å²	37.4	23%	0.231	22%	0.216	C	C	.	.			trans	-100.2	-30.9	179	0	0	0	0	0	112	T224 N246 R272 E273	T224-A248 WeakPolarHBondContact O-CA 3.48Å; T224-A248 PolarHBondContact O-N 2.83Å; N246-A248 PolarHBondContact O-N 2.86Å; A248-R272 WeakPolarHBondContact O-CA 3.38Å; A248-R272 PolarHBondContact O-N 2.95Å; A248-E273 PolarHBondContact O-N 3.3Å
249	K	98.9	Very high	97.9	Very high	56 Å²	56	38.7 Å²	38.7	24%	0.243	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.2	176.6	-49.9	-170.6	-174.5	147.1	0	112.7	T224 E225 L226 E273	T224-K249 PolarHBondContact O-N 2.91Å; E225-K249 HydrophobicContact CB-CB 4.49Å; E225-K249 HydrophobicContact CG-CB 4.08Å; E225-K249 HydrophobicContact CG-CD 4.08Å; E225-K249 HydrophobicContact CG-CG 4.09Å; E225-K249 WeakPolarHBondContact OE1-CD 3.23Å; E225-K249 WeakPolarHBondContact OE1-CE 3.16Å; E225-K249 IonicContact OE1-NZ 3.15Å; E225-K249 PolarHBondContact OE1-NZ 3.33Å; E225-K249 IonicContact OE2-NZ 3.11Å; L226-K249 PolarHBondContact N-O 3.02Å; L226-K249 VanDerWaalsContact N-O 3.11Å; K249-E273 WeakPolarHBondContact CA-O 3.46Å; K249-E273 HydrophobicContact CB-CB 4.32Å; K249-E273 WeakPolarHBondContact CD-OE2 3.34Å; K249-E273 VanDerWaalsContact CE-CD 3.44Å; K249-E273 WeakPolarHBondContact CE-OE1 3.42Å; K249-E273 WeakPolarHBondContact CE-OE2 3.38Å; K249-E273 HydrophobicContact CG-CB 4.05Å; K249-E273 HydrophobicContact CG-CG 4.36Å
250	L	98.8	Very high	98	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	102.8	174.6	180	53.5	0	0	0	110	L226 L241 L247 L252 L271 E273 L274 H275	L226-L250 HydrophobicContact CB-CD1 4.19Å; L226-L250 HydrophobicContact CD2-CD1 3.92Å; L226-L250 HydrophobicContact CG-CD1 4.13Å; L226-L250 WeakPolarHBondContact O-CA 3.44Å; L241-L250 HydrophobicContact CD1-CD2 4.05Å; L241-L250 HydrophobicContact CD2-CD2 4.15Å; L247-L250 HydrophobicContact CD2-CB 4.12Å; L247-L250 HydrophobicContact CD2-CD1 4.41Å; L250-L252 HydrophobicContact CD1-CD1 3.98Å; L250-L252 HydrophobicContact CD1-CG 3.98Å; L250-L252 HydrophobicContact CD2-CD1 3.86Å; L250-L252 HydrophobicContact CG-CD1 3.75Å; L250-L252 HydrophobicContact CG-CG 4.07Å; L250-L271 HydrophobicContact CB-CD1 3.73Å; L250-L271 HydrophobicContact CB-CD2 4.32Å; L250-E273 PolarHBondContact N-O 3.09Å; L250-L274 HydrophobicContact CB-CD1 4.09Å; L250-L274 HydrophobicContact CD2-CD1 3.94Å; L250-L274 HydrophobicContact CG-CD1 4.04Å; L250-H275 PolarHBondContact O-N 2.93Å
251	G	98.8	Very high	98	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.2	174.5	0	0	0	0	0	111.2	L226 L228	L226-G251 PolarHBondContact O-N 2.78Å; L228-G251 PolarHBondContact N-O 2.78Å
252	L	98.8	Very high	97.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.245	C	C	.	.			trans	-131.6	15.3	177.4	-73	166.8	0	0	0	112.1	I215 L228 I233 V236 L250 N255 I257 H275 L276 N279	I215-L252 HydrophobicContact CD1-CD1 4.41Å; I215-L252 HydrophobicContact CD1-CD2 4.24Å; I215-L252 HydrophobicContact CG1-CD2 4.26Å; L228-L252 HydrophobicContact CB-CD2 4.05Å; L228-L252 HydrophobicContact CD1-CD2 4.28Å; I233-L252 HydrophobicContact CD1-CD2 3.93Å; V236-L252 HydrophobicContact CG2-CD1 3.68Å; L250-L252 HydrophobicContact CD1-CD1 3.98Å; L250-L252 HydrophobicContact CD1-CG 3.98Å; L250-L252 HydrophobicContact CD2-CD1 3.86Å; L250-L252 HydrophobicContact CG-CD1 3.75Å; L250-L252 HydrophobicContact CG-CG 4.07Å; L252-N255 PolarHBondContact O-ND2 3.1Å; L252-I257 HydrophobicContact CB-CD1 3.84Å; L252-I257 HydrophobicContact CD1-CD1 4.31Å; L252-I257 HydrophobicContact CD2-CD1 4.2Å; L252-I257 HydrophobicContact CG-CD1 4.36Å; L252-H275 CarbonylContact C-O 3.06Å; L252-H275 WeakPolarHBondContact CA-O 3.39Å; L252-H275 WeakPolarHBondContact CB-O 3.4Å; L252-H275 PolarHBondContact N-O 3.15Å; L252-L276 HydrophobicContact CB-CD2 3.7Å; L252-L276 HydrophobicContact CB-CG 4.44Å; L252-L276 HydrophobicContact CD1-CD2 3.9Å; L252-L276 HydrophobicContact CG-CD2 4.47Å; L252-N279 PolarHBondContact O-ND2 3.01Å
253	S	98.6	Very high	97.6	Very high	13 Å²	13	38.9 Å²	38.9	9%	0.091	23%	0.23	C	C	.	.			trans	-54.5	156.6	176.9	-49.6	0	0	0	0	113	D229 G230 N255 H275 D277	D229-S253 VanDerWaalsContact CA-O 3.32Å; D229-S253 WeakPolarHBondContact CA-O 3.46Å; G230-S253 PolarHBondContact N-O 2.96Å; G230-S253 VanDerWaalsContact N-O 3.08Å; S253-N255 PolarHBondContact O-N 2.86Å; S253-N255 PolarHBondContact O-ND2 3.21Å; S253-H275 PolarHBondContact N-O 2.99Å; S253-H275 VanDerWaalsContact OG-CB 3.29Å; S253-H275 WeakPolarHBondContact OG-CB 3.41Å; S253-D277 WeakPolarHBondContact CA-O 3.39Å; S253-D277 VanDerWaalsContact CB-OD1 3.28Å; S253-D277 WeakPolarHBondContact CB-OD1 3.46Å; S253-D277 WeakPolarHBondContact CB-OD2 3.35Å; S253-D277 PolarHBondContact OG-OD1 3.48Å
254	F	98.6	Very high	97.7	Very high	124 Å²	124	37.6 Å²	37.6	54%	0.544	22%	0.217	S	C	.	.	S	Bend	trans	52.2	54.1	174.8	-64.7	-86.7	0	0	0	113.2	G230 N231 D277 N278	G230-F254 CarbonylContact C-O 3.22Å; G230-F254 WeakPolarHBondContact CA-O 3.35Å; G230-F254 PolarHBondContact N-O 2.98Å; N231-F254 PolarHBondContact N-O 2.93Å; F254-D277 PolarHBondContact N-O 3.34Å; F254-D277 VanDerWaalsContact N-O 3.16Å; F254-N278 CarbonylContact C-O 3.16Å; F254-N278 WeakPolarHBondContact CA-O 3.49Å; F254-N278 HydrophobicContact CB-CB 4.41Å; F254-N278 HydrophobicContact CD1-CB 3.56Å; F254-N278 HydrophobicContact CD2-CB 4.15Å; F254-N278 HydrophobicContact CE1-CB 3.73Å; F254-N278 VanDerWaalsContact CE1-CG 3.41Å; F254-N278 HydrophobicContact CE2-CB 4.29Å; F254-N278 HydrophobicContact CG-CB 3.79Å; F254-N278 HydrophobicContact CZ-CB 4.1Å; F254-N278 VanDerWaalsContact CZ-ND2 3.32Å; F254-N278 WeakPolarHBondContact CZ-ND2 3.33Å; F254-N278 PolarHBondContact N-O 2.92Å
255	N	98.8	Very high	97.6	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.059	22%	0.218	C	C	.	.	S	Bend	trans	-126.8	-163.5	180	-92.1	-90.4	0	0	0	110.7	L228 N231 K232 I233 L252 S253 I257 N278 N279	L228-N255 PolarHBondContact O-ND2 2.87Å; N231-N255 WeakPolarHBondContact CA-OD1 3.33Å; N231-N255 WeakPolarHBondContact CB-OD1 3.43Å; N231-N255 PolarHBondContact O-OD1 3.11Å; K232-N255 PolarHBondContact N-OD1 2.93Å; I233-N255 WeakPolarHBondContact CB-OD1 3.29Å; I233-N255 WeakPolarHBondContact CG1-OD1 3.5Å; I233-N255 PolarHBondContact N-OD1 3.44Å; L252-N255 PolarHBondContact O-ND2 3.1Å; S253-N255 PolarHBondContact O-N 2.86Å; S253-N255 PolarHBondContact O-ND2 3.21Å; N255-I257 HydrophobicContact CB-CD1 4.11Å; N255-I257 HydrophobicContact CB-CG1 4.07Å; N255-N278 PolarHBondContact N-O 3.23Å; N255-N278 VanDerWaalsContact N-O 3.09Å; N255-N279 WeakPolarHBondContact CA-OD1 3.45Å; N255-N279 WeakPolarHBondContact CB-OD1 3.27Å
256	S	98.4	Very high	97.6	Very high	39 Å²	39	37.4 Å²	37.4	27%	0.273	23%	0.226	S	C	.	.			trans	-122	27.8	175.4	-76.8	0	0	0	0	112.5	I233 S258 N279 K280	I233-S256 CarbonylContact O-C 3.13Å; I233-S256 VanDerWaalsContact O-CA 3.3Å; I233-S256 WeakPolarHBondContact O-CA 3.38Å; I233-S256 PolarHBondContact O-N 2.84Å; S256-S258 PolarHBondContact O-N 3.11Å; S256-N279 PolarHBondContact N-OD1 3.06Å; S256-K280 PolarHBondContact OG-NZ 3.25Å
257	I	98.8	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.214	C	C	.	.			trans	-66.8	117.5	-174.9	-58.9	163.1	0	0	0	109	I233 S234 V236 L252 N255 V260 L276 N279 K280 L281	I233-I257 HydrophobicContact CB-CG1 4.25Å; I233-I257 HydrophobicContact CG2-CD1 4.37Å; I233-I257 HydrophobicContact CG2-CG1 4.01Å; I233-I257 WeakPolarHBondContact O-CG1 3.45Å; I233-I257 PolarHBondContact O-N 3.21Å; S234-I257 WeakPolarHBondContact O-CA 3.31Å; V236-I257 HydrophobicContact CG2-CD1 3.91Å; V236-I257 HydrophobicContact CG2-CG1 4.49Å; V236-I257 HydrophobicContact CG2-CG2 4.05Å; L252-I257 HydrophobicContact CB-CD1 3.84Å; L252-I257 HydrophobicContact CD1-CD1 4.31Å; L252-I257 HydrophobicContact CD2-CD1 4.2Å; L252-I257 HydrophobicContact CG-CD1 4.36Å; N255-I257 HydrophobicContact CB-CD1 4.11Å; N255-I257 HydrophobicContact CB-CG1 4.07Å; I257-V260 HydrophobicContact CG2-CG2 4.41Å; I257-L276 HydrophobicContact CD1-CD2 3.69Å; I257-N279 VanDerWaalsContact CB-OD1 3.23Å; I257-N279 WeakPolarHBondContact CB-OD1 3.34Å; I257-N279 WeakPolarHBondContact CG1-OD1 3.11Å; I257-N279 PolarHBondContact N-OD1 3.48Å; I257-K280 CarbonylContact O-C 3.5Å; I257-K280 VanDerWaalsContact O-CA 3.3Å; I257-K280 WeakPolarHBondContact O-CA 3.35Å; I257-K280 PolarHBondContact O-N 2.87Å; I257-L281 HydrophobicContact CG2-CD2 3.8Å; I257-L281 PolarHBondContact O-N 3.43Å; I257-L281 VanDerWaalsContact O-N 3.09Å
258	S	97.7	Very high	97.5	Very high	55 Å²	55	35.2 Å²	35.2	39%	0.385	21%	0.214	S	C	.	.			trans	-100.8	-24.4	174.3	60.1	0	0	0	0	113.2	S234 S256 K280	S234-S258 PolarHBondContact O-N 2.69Å; S234-S258 PolarHBondContact O-OG 3.04Å; S256-S258 PolarHBondContact O-N 3.11Å; S258-K280 WeakPolarHBondContact CA-O 3.48Å
259	V	96.9	Very high	97.5	Very high	55 Å²	55	35.9 Å²	35.9	33%	0.333	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.5	-177.7	-176.8	0	0	0	0	111.1	R235 V236	R235-V259 VanDerWaalsContact CA-O 3.28Å; R235-V259 WeakPolarHBondContact CA-O 3.16Å; V236-V259 PolarHBondContact N-O 3.31Å
260	V	98.1	Very high	97.4	Very high	14 Å²	14	37 Å²	37	9%	0.085	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.6	160.5	178.9	0	0	0	0	107.3	V236 I257 L276 L281 P285	V236-V260 HydrophobicContact CB-CB 4.3Å; V236-V260 HydrophobicContact CB-CG1 4.07Å; V236-V260 HydrophobicContact CB-CG2 4.06Å; V236-V260 HydrophobicContact CG1-CG1 4.19Å; V236-V260 HydrophobicContact CG2-CG2 4.07Å; I257-V260 HydrophobicContact CG2-CG2 4.41Å; V260-L276 HydrophobicContact CG2-CD1 4.13Å; V260-L281 HydrophobicContact CG2-CD2 4.1Å; V260-P285 HydrophobicContact CB-CB 4.14Å; V260-P285 HydrophobicContact CG1-CB 4.27Å; V260-P285 HydrophobicContact CG2-CB 4.13Å; V260-P285 HydrophobicContact CG2-CG 4.07Å
261	D	97.2	Very high	97.4	Very high	39 Å²	39	37 Å²	37	21%	0.209	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-68.9	142.5	179.7	-70.2	-27.8	0	0	0	111.6	R235 V236 D237 G263 S264	R235-D261 IonicContact CZ-OD1 3.83Å; R235-D261 IonicContact CZ-OD2 3.55Å; R235-D261 IonicContact NE-OD2 2.87Å; R235-D261 IonicContact NH2-OD1 2.91Å; R235-D261 PolarHBondContact NH2-OD1 3.13Å; R235-D261 IonicContact NH2-OD2 2.73Å; R235-D261 PolarHBondContact NH2-OD2 2.85Å; V236-D261 PolarHBondContact O-N 3.22Å; D237-D261 WeakPolarHBondContact CA-OD2 3.35Å; D261-G263 PolarHBondContact O-N 3.09Å; D261-S264 VanDerWaalsContact O-CB 3.29Å; D261-S264 WeakPolarHBondContact O-CB 3.28Å; D261-S264 PolarHBondContact O-N 2.92Å; D261-S264 VanDerWaalsContact O-N 3.13Å; D261-S264 PolarHBondContact O-OG 2.96Å
262	N	92.7	Very high	97.4	Very high	137 Å²	137	42.1 Å²	42.1	73%	0.733	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.7	176.9	-75.2	-11.3	0	0	0	110.2
263	G	93.5	Very high	97.4	Very high	37 Å²	37	44.8 Å²	44.8	38%	0.381	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-9.8	-176.4	0	0	0	0	0	114.9	D261 L265 A266	D261-G263 PolarHBondContact O-N 3.09Å; G263-L265 VanDerWaalsContact C-N 3.31Å; G263-L265 PolarHBondContact O-N 3.49Å; G263-A266 WeakPolarHBondContact O-CB 3.18Å; G263-A266 PolarHBondContact O-N 2.83Å
264	S	95.9	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-54.9	-44.6	176.4	-65.6	0	0	0	0	112.6	V236 A238 D261 A266 N267	V236-S264 PolarHBondContact O-OG 3.44Å; A238-S264 VanDerWaalsContact CA-OG 3.27Å; A238-S264 WeakPolarHBondContact CA-OG 3.48Å; A238-S264 PolarHBondContact N-OG 2.96Å; A238-S264 VanDerWaalsContact N-OG 3.15Å; D261-S264 VanDerWaalsContact O-CB 3.29Å; D261-S264 WeakPolarHBondContact O-CB 3.28Å; D261-S264 PolarHBondContact O-N 2.92Å; D261-S264 VanDerWaalsContact O-N 3.13Å; D261-S264 PolarHBondContact O-OG 2.96Å; S264-A266 VanDerWaalsContact C-N 3.28Å; S264-A266 PolarHBondContact O-N 3.49Å; S264-N267 PolarHBondContact O-N 2.82Å
265	L	96.5	Very high	97.4	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-71.5	-18.6	177.8	-59.1	-178.8	0	0	0	113.6	G263 N267 T268 L271 L274 P285 L288 H291	G263-L265 VanDerWaalsContact C-N 3.31Å; G263-L265 PolarHBondContact O-N 3.49Å; L265-N267 VanDerWaalsContact C-N 3.26Å; L265-N267 PolarHBondContact O-N 3.16Å; L265-T268 PolarHBondContact O-N 2.9Å; L265-T268 PolarHBondContact O-OG1 3.27Å; L265-L271 HydrophobicContact CD2-CD2 4.18Å; L265-L274 HydrophobicContact CD1-CD2 4.1Å; L265-L274 HydrophobicContact CD2-CD2 3.85Å; L265-P285 HydrophobicContact CD1-CB 4.32Å; L265-L288 HydrophobicContact CD1-CD2 3.71Å; L265-L288 HydrophobicContact CD1-CG 3.9Å; L265-H291 PolarHBondContact O-CD2 3.36Å
266	A	96.4	Very high	97.4	Very high	72 Å²	72	40 Å²	40	60%	0.595	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-74	-19	174.6	0	0	0	0	0	112.5	G263 S264 T268	G263-A266 WeakPolarHBondContact O-CB 3.18Å; G263-A266 PolarHBondContact O-N 2.83Å; S264-A266 VanDerWaalsContact C-N 3.28Å; S264-A266 PolarHBondContact O-N 3.49Å; A266-T268 VanDerWaalsContact C-N 3.35Å
267	N	97.6	Very high	97.4	Very high	48 Å²	48	38.6 Å²	38.6	26%	0.257	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-82.8	-9.7	175.1	-75.7	-30.5	0	0	0	113.9	A238 L241 S264 L265 P269	A238-N267 PolarHBondContact O-ND2 3.21Å; L241-N267 HydrophobicContact CB-CB 4.33Å; L241-N267 WeakPolarHBondContact O-CB 3.19Å; S264-N267 PolarHBondContact O-N 2.82Å; L265-N267 VanDerWaalsContact C-N 3.26Å; L265-N267 PolarHBondContact O-N 3.16Å; N267-P269 WeakPolarHBondContact O-CD 3.5Å
268	T	98.1	Very high	97.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-118.7	55.8	173.9	51.8	0	0	0	0	110.9	L241 L244 L247 L265 A266 H270 L271 H291	L241-T268 HydrophobicContact CB-CG2 4.11Å; L241-T268 HydrophobicContact CD1-CG2 4.33Å; L241-T268 HydrophobicContact CD2-CG2 4.43Å; L244-T268 HydrophobicContact CB-CG2 3.98Å; L247-T268 HydrophobicContact CB-CG2 4.18Å; L247-T268 HydrophobicContact CD2-CG2 3.67Å; L265-T268 PolarHBondContact O-N 2.9Å; L265-T268 PolarHBondContact O-OG1 3.27Å; A266-T268 VanDerWaalsContact C-N 3.35Å; T268-H270 PolarHBondContact O-N 3.1Å; T268-L271 VanDerWaalsContact O-CB 3.24Å; T268-L271 WeakPolarHBondContact O-CB 3.44Å; T268-L271 PolarHBondContact O-N 3.24Å; T268-H291 PolarHBondContact O-NE2 3.15Å
269	P	97.6	Very high	97.5	Very high	42 Å²	42	38.2 Å²	38.2	27%	0.273	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.7	-162.7	25.1	-37.6	0	0	0	116.4	N267 H291 Y293	N267-P269 WeakPolarHBondContact O-CD 3.5Å; P269-H291 VanDerWaalsContact C-NE2 3.33Å; P269-H291 WeakPolarHBondContact CA-NE2 3.42Å; P269-H291 PolarHBondContact O-CE1 2.83Å; P269-H291 PolarHBondContact O-NE2 3.41Å; P269-Y293 WeakPolarHBondContact O-CD2 3.42Å
270	H	98.2	Very high	97.5	Very high	79 Å²	79	41.1 Å²	41.1	37%	0.366	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	10	178.2	-60.3	111	0	0	0	113.8	N245 L247 T268 R272 Y293	N245-H270 PolarHBondContact O-ND1 3.23Å; L247-H270 CarbonylContact O-C 3.18Å; T268-H270 PolarHBondContact O-N 3.1Å; H270-R272 PolarHBondContact O-N 2.96Å; H270-Y293 AromaticContact CD2-CD2 3.72Å; H270-Y293 AromaticContact CD2-CE2 3.39Å; H270-Y293 WeakPolarHBondContact CD2-CE2 3.48Å; H270-Y293 AromaticContact CD2-CZ 3.54Å; H270-Y293 AromaticContact NE2-CE2 3.81Å; H270-Y293 AromaticContact NE2-CZ 3.95Å
271	L	98.6	Very high	97.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.218	C	C	.	.			trans	-58.8	126.4	179.5	-170.4	71.1	0	0	0	111.6	L247 L250 L265 T268 L274 H291 Y293 I294	L247-L271 HydrophobicContact CD2-CD1 4.2Å; L247-L271 HydrophobicContact CG-CD1 4.26Å; L247-L271 WeakPolarHBondContact O-CA 3.47Å; L247-L271 PolarHBondContact O-N 3.18Å; L247-L271 VanDerWaalsContact O-N 3.14Å; L250-L271 HydrophobicContact CB-CD1 3.73Å; L250-L271 HydrophobicContact CB-CD2 4.32Å; L265-L271 HydrophobicContact CD2-CD2 4.18Å; T268-L271 VanDerWaalsContact O-CB 3.24Å; T268-L271 WeakPolarHBondContact O-CB 3.44Å; T268-L271 PolarHBondContact O-N 3.24Å; L271-L274 HydrophobicContact CD2-CB 4.07Å; L271-L274 HydrophobicContact CD2-CD1 4.23Å; L271-H291 PolarHBondContact O-CE1 3.14Å; L271-Y293 CarbonylContact O-C 3.48Å; L271-I294 HydrophobicContact CD2-CD1 4.18Å; L271-I294 HydrophobicContact CG-CD1 4.07Å; L271-I294 WeakPolarHBondContact O-CA 3.26Å; L271-I294 PolarHBondContact O-N 3.24Å; L271-I294 VanDerWaalsContact O-N 3.15Å
272	R	98.6	Very high	97.6	Very high	111 Å²	111	42 Å²	42	42%	0.419	23%	0.228	S	C	.	.			trans	-105.1	-38.7	179.4	-64.6	-177.4	-179.5	-96.8	2.8	112.7	A248 H270 Y293 Q295 V296	A248-R272 WeakPolarHBondContact O-CA 3.38Å; A248-R272 PolarHBondContact O-N 2.95Å; H270-R272 PolarHBondContact O-N 2.96Å; R272-Y293 WeakPolarHBondContact CA-O 3.47Å; R272-Q295 PolarHBondContact O-N 3.14Å; R272-V296 PolarHBondContact O-N 3.47Å
273	E	98.8	Very high	97.8	Very high	58 Å²	58	43 Å²	43	27%	0.271	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.6	-175.4	-60.6	165.5	-136.8	0	0	109.9	A248 K249 L250 V296	A248-E273 PolarHBondContact O-N 3.3Å; K249-E273 WeakPolarHBondContact CA-O 3.46Å; K249-E273 HydrophobicContact CB-CB 4.32Å; K249-E273 WeakPolarHBondContact CD-OE2 3.34Å; K249-E273 VanDerWaalsContact CE-CD 3.44Å; K249-E273 WeakPolarHBondContact CE-OE1 3.42Å; K249-E273 WeakPolarHBondContact CE-OE2 3.38Å; K249-E273 HydrophobicContact CG-CB 4.05Å; K249-E273 HydrophobicContact CG-CG 4.36Å; L250-E273 PolarHBondContact N-O 3.09Å; E273-V296 WeakPolarHBondContact CA-O 3.39Å; E273-V296 HydrophobicContact CB-CB 4.31Å; E273-V296 HydrophobicContact CG-CB 3.99Å; E273-V296 HydrophobicContact CG-CG2 4.11Å
274	L	98.8	Very high	98	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.3	177.5	176.6	60.6	0	0	0	109.1	L250 L265 L271 L276 L288 I294 V296 V297 Y298	L250-L274 HydrophobicContact CB-CD1 4.09Å; L250-L274 HydrophobicContact CD2-CD1 3.94Å; L250-L274 HydrophobicContact CG-CD1 4.04Å; L265-L274 HydrophobicContact CD1-CD2 4.1Å; L265-L274 HydrophobicContact CD2-CD2 3.85Å; L271-L274 HydrophobicContact CD2-CB 4.07Å; L271-L274 HydrophobicContact CD2-CD1 4.23Å; L274-L276 HydrophobicContact CD1-CD1 3.87Å; L274-L276 HydrophobicContact CD1-CG 3.98Å; L274-L276 HydrophobicContact CD2-CD1 3.82Å; L274-L276 HydrophobicContact CG-CD1 3.85Å; L274-L276 HydrophobicContact CG-CG 4.16Å; L274-L288 HydrophobicContact CD2-CD2 4.34Å; L274-I294 HydrophobicContact CB-CD1 3.83Å; L274-V296 PolarHBondContact N-O 3.18Å; L274-V297 WeakPolarHBondContact O-CA 3.3Å; L274-Y298 PolarHBondContact O-N 3.11Å
275	H	98.8	Very high	98	Very high	45 Å²	45	42 Å²	42	21%	0.208	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.7	177	-52.9	164	0	0	0	109.2	L250 L252 S253 Y298	L250-H275 PolarHBondContact O-N 2.93Å; L252-H275 CarbonylContact C-O 3.06Å; L252-H275 WeakPolarHBondContact CA-O 3.39Å; L252-H275 WeakPolarHBondContact CB-O 3.4Å; L252-H275 PolarHBondContact N-O 3.15Å; S253-H275 PolarHBondContact N-O 2.99Å; S253-H275 VanDerWaalsContact OG-CB 3.29Å; S253-H275 WeakPolarHBondContact OG-CB 3.41Å; H275-Y298 HydrophobicContact CB-CD2 4.46Å; H275-Y298 AromaticContact CD2-CD2 3.26Å; H275-Y298 WeakPolarHBondContact CD2-CD2 3.46Å; H275-Y298 AromaticContact CD2-CE2 3.71Å; H275-Y298 AromaticContact CD2-CG 3.96Å; H275-Y298 AromaticContact CG-CD2 3.81Å; H275-Y298 AromaticContact NE2-CD2 3.57Å; H275-Y298 AromaticContact NE2-CE2 3.47Å; H275-Y298 WeakPolarHBondContact NE2-CE2 3.48Å
276	L	98.7	Very high	98	Very high	2 Å²	2	43 Å²	43	1%	0.01	22%	0.22	C	C	.	.			trans	-127.3	20.8	179.8	-83.1	169.2	0	0	0	110.8	V236 L252 I257 V260 L274 N279 L281 P285 Y298 L299 N302	V236-L276 HydrophobicContact CG2-CD2 4.49Å; L252-L276 HydrophobicContact CB-CD2 3.7Å; L252-L276 HydrophobicContact CB-CG 4.44Å; L252-L276 HydrophobicContact CD1-CD2 3.9Å; L252-L276 HydrophobicContact CG-CD2 4.47Å; I257-L276 HydrophobicContact CD1-CD2 3.69Å; V260-L276 HydrophobicContact CG2-CD1 4.13Å; L274-L276 HydrophobicContact CD1-CD1 3.87Å; L274-L276 HydrophobicContact CD1-CG 3.98Å; L274-L276 HydrophobicContact CD2-CD1 3.82Å; L274-L276 HydrophobicContact CG-CD1 3.85Å; L274-L276 HydrophobicContact CG-CG 4.16Å; L276-N279 WeakPolarHBondContact O-CB 3.47Å; L276-L281 HydrophobicContact CB-CD1 4.02Å; L276-L281 HydrophobicContact CD1-CD1 4.3Å; L276-P285 HydrophobicContact CD1-CG 3.72Å; L276-Y298 CarbonylContact C-O 3.15Å; L276-Y298 VanDerWaalsContact C-O 3.31Å; L276-Y298 WeakPolarHBondContact CA-O 3.42Å; L276-Y298 PolarHBondContact N-O 3.25Å; L276-L299 HydrophobicContact CB-CD2 3.79Å; L276-L299 HydrophobicContact CD1-CD2 4.37Å; L276-N302 PolarHBondContact O-ND2 3.37Å
277	D	98.6	Very high	98	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.043	21%	0.213	C	C	.	.			trans	-67.7	165	175.3	63.3	-79.4	0	0	0	112.4	S253 F254 N279 Y298 H300	S253-D277 WeakPolarHBondContact CA-O 3.39Å; S253-D277 VanDerWaalsContact CB-OD1 3.28Å; S253-D277 WeakPolarHBondContact CB-OD1 3.46Å; S253-D277 WeakPolarHBondContact CB-OD2 3.35Å; S253-D277 PolarHBondContact OG-OD1 3.48Å; F254-D277 PolarHBondContact N-O 3.34Å; F254-D277 VanDerWaalsContact N-O 3.16Å; D277-N279 PolarHBondContact O-N 3.44Å; D277-N279 PolarHBondContact O-ND2 2.88Å; D277-Y298 PolarHBondContact N-O 3.06Å; D277-H300 CarbonylContact C-O 3.27Å; D277-H300 WeakPolarHBondContact CA-O 3.26Å; D277-H300 VanDerWaalsContact CB-CD2 3.45Å; D277-H300 WeakPolarHBondContact CB-CD2 3.25Å; D277-H300 WeakPolarHBondContact CB-NE2 3.32Å; D277-H300 WeakPolarHBondContact CB-O 3.36Å; D277-H300 IonicContact OD2-CE1 3.87Å; D277-H300 IonicContact OD2-NE2 3.85Å
278	N	98.6	Very high	98	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.193	20%	0.201	C	C	.	.	S	Bend	trans	52.1	54.9	177.6	-66.9	-79.5	0	0	0	111.9	F254 N255 H300 N301	F254-N278 CarbonylContact C-O 3.16Å; F254-N278 WeakPolarHBondContact CA-O 3.49Å; F254-N278 HydrophobicContact CB-CB 4.41Å; F254-N278 HydrophobicContact CD1-CB 3.56Å; F254-N278 HydrophobicContact CD2-CB 4.15Å; F254-N278 HydrophobicContact CE1-CB 3.73Å; F254-N278 VanDerWaalsContact CE1-CG 3.41Å; F254-N278 HydrophobicContact CE2-CB 4.29Å; F254-N278 HydrophobicContact CG-CB 3.79Å; F254-N278 HydrophobicContact CZ-CB 4.1Å; F254-N278 VanDerWaalsContact CZ-ND2 3.32Å; F254-N278 WeakPolarHBondContact CZ-ND2 3.33Å; F254-N278 PolarHBondContact N-O 2.92Å; N255-N278 PolarHBondContact N-O 3.23Å; N255-N278 VanDerWaalsContact N-O 3.09Å; N278-H300 PolarHBondContact N-O 3.48Å; N278-N301 CarbonylContact C-O 3.55Å; N278-N301 WeakPolarHBondContact CA-O 3.19Å; N278-N301 HydrophobicContact CB-CB 4.33Å; N278-N301 PolarHBondContact N-O 3.34Å; N278-N301 VanDerWaalsContact OD1-CB 3.23Å; N278-N301 WeakPolarHBondContact OD1-CB 3.23Å; N278-N301 PolarHBondContact OD1-ND2 3.4Å
279	N	98.8	Very high	97.9	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.064	21%	0.205	C	C	.	.	S	Bend	trans	-139.6	-165.9	-173.4	-94.8	-77.5	0	0	0	110.6	L252 N255 S256 I257 L276 D277 N301 N302	L252-N279 PolarHBondContact O-ND2 3.01Å; N255-N279 WeakPolarHBondContact CA-OD1 3.45Å; N255-N279 WeakPolarHBondContact CB-OD1 3.27Å; S256-N279 PolarHBondContact N-OD1 3.06Å; I257-N279 VanDerWaalsContact CB-OD1 3.23Å; I257-N279 WeakPolarHBondContact CB-OD1 3.34Å; I257-N279 WeakPolarHBondContact CG1-OD1 3.11Å; I257-N279 PolarHBondContact N-OD1 3.48Å; L276-N279 WeakPolarHBondContact O-CB 3.47Å; D277-N279 PolarHBondContact O-N 3.44Å; D277-N279 PolarHBondContact O-ND2 2.88Å; N279-N301 PolarHBondContact N-O 2.93Å; N279-N302 WeakPolarHBondContact CA-OD1 3.35Å; N279-N302 WeakPolarHBondContact CB-OD1 3.36Å; N279-N302 PolarHBondContact O-OD1 3.06Å
280	K	98.5	Very high	97.8	Very high	116 Å²	116	43.5 Å²	43.5	50%	0.504	22%	0.218	S	C	.	.			trans	-122.1	22.1	-173.3	-65.2	174.4	-179.6	162	0	112.6	S256 I257 S258 T282 N302	S256-K280 PolarHBondContact OG-NZ 3.25Å; I257-K280 CarbonylContact O-C 3.5Å; I257-K280 VanDerWaalsContact O-CA 3.3Å; I257-K280 WeakPolarHBondContact O-CA 3.35Å; I257-K280 PolarHBondContact O-N 2.87Å; S258-K280 WeakPolarHBondContact CA-O 3.48Å; K280-T282 PolarHBondContact O-N 3.15Å; K280-N302 PolarHBondContact N-OD1 2.87Å
281	L	98.4	Very high	97.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.204	C	C	.	.			trans	-63.6	133	-178.3	-63.1	173.4	0	0	0	110.3	I257 V260 L276 P285 L299 N302 N303 I304	I257-L281 HydrophobicContact CG2-CD2 3.8Å; I257-L281 PolarHBondContact O-N 3.43Å; I257-L281 VanDerWaalsContact O-N 3.09Å; V260-L281 HydrophobicContact CG2-CD2 4.1Å; L276-L281 HydrophobicContact CB-CD1 4.02Å; L276-L281 HydrophobicContact CD1-CD1 4.3Å; L281-P285 HydrophobicContact CD1-CG 4.27Å; L281-L299 HydrophobicContact CD1-CD2 3.55Å; L281-N302 HydrophobicContact CB-CB 4.4Å; L281-N302 VanDerWaalsContact CB-OD1 3.26Å; L281-N302 WeakPolarHBondContact CB-OD1 3.26Å; L281-N302 WeakPolarHBondContact CG-OD1 3.17Å; L281-N302 PolarHBondContact N-OD1 3.11Å; L281-N303 CarbonylContact O-C 3.06Å; L281-N303 VanDerWaalsContact O-CA 3.26Å; L281-N303 WeakPolarHBondContact O-CA 3.45Å; L281-N303 PolarHBondContact O-N 3.35Å; L281-I304 HydrophobicContact CB-CG1 4.33Å; L281-I304 PolarHBondContact O-N 2.85Å; L281-I304 VanDerWaalsContact O-N 3.14Å
282	T	97.1	Very high	97.7	Very high	68 Å²	68	45.5 Å²	45.5	42%	0.417	23%	0.226	S	C	.	.	S	Bend	trans	-95.8	-9.9	178.1	54	0	0	0	0	113.8	K280 N303	K280-T282 PolarHBondContact O-N 3.15Å; T282-N303 WeakPolarHBondContact CA-O 3.5Å
283	R	97.2	Very high	97.6	Very high	159 Å²	159	44.8 Å²	44.8	60%	0.6	22%	0.224	S	C	*	.	B	Isolated β-bridge	trans	-154.5	162.3	-179.7	58.8	-179.1	172.6	-135.8	-2.7	110.2
284	V	97.9	Very high	97.6	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62	140.8	173.3	-178.5	0	0	0	0	110.4	G286 L288 L299 I304 V307 D311 F312	V284-G286 PolarHBondContact O-N 2.76Å; V284-L288 HydrophobicContact CG1-CD1 3.73Å; V284-L299 HydrophobicContact CG1-CD1 4Å; V284-L299 HydrophobicContact CG2-CD1 4.43Å; V284-I304 HydrophobicContact CG2-CD1 4.42Å; V284-I304 HydrophobicContact CG2-CG2 4.44Å; V284-V307 HydrophobicContact CG2-CG1 4.19Å; V284-V307 HydrophobicContact CG2-CG2 4.06Å; V284-D311 HydrophobicContact CB-CB 3.97Å; V284-D311 HydrophobicContact CG1-CB 3.92Å; V284-D311 HydrophobicContact CG2-CB 4.3Å; V284-F312 HydrophobicContact CG1-CE1 4.09Å; V284-F312 HydrophobicContact CG1-CE2 4.06Å; V284-F312 HydrophobicContact CG1-CZ 3.75Å; V284-F312 HydrophobicContact CG2-CE2 3.88Å; V284-F312 HydrophobicContact CG2-CZ 3.95Å
285	P	97.3	Very high	97.6	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.039	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-60.4	132.4	177.3	-26.7	36.1	0	0	0	113.9	V260 L265 L276 L281 L288 L299	V260-P285 HydrophobicContact CB-CB 4.14Å; V260-P285 HydrophobicContact CG1-CB 4.27Å; V260-P285 HydrophobicContact CG2-CB 4.13Å; V260-P285 HydrophobicContact CG2-CG 4.07Å; L265-P285 HydrophobicContact CD1-CB 4.32Å; L276-P285 HydrophobicContact CD1-CG 3.72Å; L281-P285 HydrophobicContact CD1-CG 4.27Å; P285-L288 HydrophobicContact CB-CD1 4.49Å; P285-L299 HydrophobicContact CG-CD2 4.02Å
286	G	95.8	Very high	97.6	Very high	28 Å²	28	43.2 Å²	43.2	29%	0.289	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	141.9	-179.7	0	0	0	0	0	113.5	V284	V284-G286 PolarHBondContact O-N 2.76Å
287	G	95.6	Very high	97.6	Very high	43 Å²	43	43.1 Å²	43.1	44%	0.443	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-6	175.7	0	0	0	0	0	115.6	A289 E290 H291	G287-A289 VanDerWaalsContact C-N 3.31Å; G287-A289 PolarHBondContact O-N 2.86Å; G287-E290 PolarHBondContact O-N 2.87Å; G287-H291 PolarHBondContact O-N 3.01Å
288	L	97.6	Very high	97.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-40.5	176.6	-76.3	174.2	0	0	0	112.8	L265 L274 V284 P285 E290 H291 I294 V297 D311 F312 K321 Y324	L265-L288 HydrophobicContact CD1-CD2 3.71Å; L265-L288 HydrophobicContact CD1-CG 3.9Å; L274-L288 HydrophobicContact CD2-CD2 4.34Å; V284-L288 HydrophobicContact CG1-CD1 3.73Å; P285-L288 HydrophobicContact CB-CD1 4.49Å; L288-E290 PolarHBondContact O-N 3Å; L288-H291 PolarHBondContact O-N 2.8Å; L288-I294 HydrophobicContact CD2-CG1 4.07Å; L288-I294 HydrophobicContact CD2-CG2 4.19Å; L288-V297 HydrophobicContact CD1-CG1 3.98Å; L288-V297 HydrophobicContact CD1-CG2 4.44Å; L288-V297 HydrophobicContact CD2-CG2 3.9Å; L288-D311 WeakPolarHBondContact CB-O 3.41Å; L288-F312 HydrophobicContact CD1-CD1 4.33Å; L288-F312 HydrophobicContact CD1-CE1 4.19Å; L288-K321 PolarHBondContact O-NZ 2.76Å; L288-Y324 PolarHBondContact O-OH 2.79Å
289	A	96.5	Very high	97.6	Very high	9 Å²	9	44.5 Å²	44.5	7%	0.074	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-48.3	172.9	0	0	0	0	0	113.7	G287 S310 D311 F312 P314 K321	G287-A289 VanDerWaalsContact C-N 3.31Å; G287-A289 PolarHBondContact O-N 2.86Å; A289-S310 WeakPolarHBondContact CB-O 3.3Å; A289-D311 PolarHBondContact N-O 2.87Å; A289-F312 WeakPolarHBondContact CA-O 3.41Å; A289-P314 WeakPolarHBondContact O-CD 3.48Å; A289-K321 WeakPolarHBondContact O-CD 3.48Å; A289-K321 PolarHBondContact O-NZ 2.71Å
290	E	95.4	Very high	97.6	Very high	118 Å²	118	45.5 Å²	45.5	55%	0.551	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.4	-178.9	-59.3	-49.8	124.4	0	0	113.4	G287 L288 K292	G287-E290 PolarHBondContact O-N 2.87Å; L288-E290 PolarHBondContact O-N 3Å; E290-K292 PolarHBondContact O-N 3.2Å
291	H	97.1	Very high	97.5	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.065	22%	0.215	C	C	.	.			trans	-70.6	117.3	-178.7	-160.6	-87.5	0	0	0	111.7	L265 T268 P269 L271 G287 L288 I294 K321	L265-H291 PolarHBondContact O-CD2 3.36Å; T268-H291 PolarHBondContact O-NE2 3.15Å; P269-H291 VanDerWaalsContact C-NE2 3.33Å; P269-H291 WeakPolarHBondContact CA-NE2 3.42Å; P269-H291 PolarHBondContact O-CE1 2.83Å; P269-H291 PolarHBondContact O-NE2 3.41Å; L271-H291 PolarHBondContact O-CE1 3.14Å; G287-H291 PolarHBondContact O-N 3.01Å; L288-H291 PolarHBondContact O-N 2.8Å; H291-I294 HydrophobicContact CB-CB 4.47Å; H291-I294 HydrophobicContact CB-CG2 3.89Å; H291-I294 WeakPolarHBondContact ND1-CB 3.26Å; H291-I294 PolarHBondContact ND1-N 3.18Å; H291-K321 PolarHBondContact O-NZ 3.04Å
292	K	97.1	Very high	97.6	Very high	108 Å²	108	43.2 Å²	43.2	47%	0.47	22%	0.217	S	C	.	.	S	Bend	trans	-78.4	-30.4	-168.9	-69.4	166.7	-171.7	160	0	114.2	E290 A322	E290-K292 PolarHBondContact O-N 3.2Å; K292-A322 PolarHBondContact O-N 3.27Å
293	Y	97.9	Very high	97.6	Very high	97 Å²	97	44.3 Å²	44.3	38%	0.38	22%	0.22	S	C	.	.	S	Bend	trans	-106.7	-2.2	-169.6	-68.2	-91	0	0	0	114.7	P269 H270 L271 R272	P269-Y293 WeakPolarHBondContact O-CD2 3.42Å; H270-Y293 AromaticContact CD2-CD2 3.72Å; H270-Y293 AromaticContact CD2-CE2 3.39Å; H270-Y293 WeakPolarHBondContact CD2-CE2 3.48Å; H270-Y293 AromaticContact CD2-CZ 3.54Å; H270-Y293 AromaticContact NE2-CE2 3.81Å; H270-Y293 AromaticContact NE2-CZ 3.95Å; L271-Y293 CarbonylContact O-C 3.48Å; R272-Y293 WeakPolarHBondContact CA-O 3.47Å
294	I	98.3	Very high	97.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.192	C	C	.	.			trans	-75.3	132.7	-177.1	-168.1	75.5	0	0	0	110.2	L271 L274 L288 H291 V297 Y324	L271-I294 HydrophobicContact CD2-CD1 4.18Å; L271-I294 HydrophobicContact CG-CD1 4.07Å; L271-I294 WeakPolarHBondContact O-CA 3.26Å; L271-I294 PolarHBondContact O-N 3.24Å; L271-I294 VanDerWaalsContact O-N 3.15Å; L274-I294 HydrophobicContact CB-CD1 3.83Å; L288-I294 HydrophobicContact CD2-CG1 4.07Å; L288-I294 HydrophobicContact CD2-CG2 4.19Å; H291-I294 HydrophobicContact CB-CB 4.47Å; H291-I294 HydrophobicContact CB-CG2 3.89Å; H291-I294 WeakPolarHBondContact ND1-CB 3.26Å; H291-I294 PolarHBondContact ND1-N 3.18Å; I294-V297 HydrophobicContact CD1-CG2 4.09Å; I294-V297 HydrophobicContact CG1-CG2 3.44Å; I294-V297 VanDerWaalsContact CG1-CG2 3.44Å; I294-Y324 HydrophobicContact CG1-CE1 4.37Å; I294-Y324 HydrophobicContact CG2-CE1 3.75Å
295	Q	98.2	Very high	97.5	Very high	51 Å²	51	39.5 Å²	39.5	24%	0.238	21%	0.212	C	C	.	.			trans	-128.9	-37.2	-175.1	-57.6	-171.8	-103.3	0	0	112.3	R272 A322 Y324 S325 G326	R272-Q295 PolarHBondContact O-N 3.14Å; Q295-A322 HydrophobicContact CG-CB 3.92Å; Q295-Y324 CarbonylContact O-C 3.39Å; Q295-Y324 VanDerWaalsContact O-CA 3.26Å; Q295-Y324 WeakPolarHBondContact O-CA 3.44Å; Q295-S325 PolarHBondContact O-N 2.71Å; Q295-S325 PolarHBondContact O-OG 3.26Å; Q295-G326 PolarHBondContact O-N 3.4Å; Q295-G326 VanDerWaalsContact O-N 3.14Å
296	V	98.8	Very high	97.5	Very high	18 Å²	18	44 Å²	44	11%	0.109	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.1	177.2	-176.3	0	0	0	0	109.6	R272 E273 L274 Y298 S325 G326	R272-V296 PolarHBondContact O-N 3.47Å; E273-V296 WeakPolarHBondContact CA-O 3.39Å; E273-V296 HydrophobicContact CB-CB 4.31Å; E273-V296 HydrophobicContact CG-CB 3.99Å; E273-V296 HydrophobicContact CG-CG2 4.11Å; L274-V296 PolarHBondContact N-O 3.18Å; V296-Y298 HydrophobicContact CG1-CD1 3.91Å; V296-Y298 HydrophobicContact CG1-CD2 4.41Å; V296-Y298 HydrophobicContact CG1-CE1 3.43Å; V296-Y298 VanDerWaalsContact CG1-CE1 3.43Å; V296-Y298 HydrophobicContact CG1-CE2 3.96Å; V296-Y298 HydrophobicContact CG1-CG 4.38Å; V296-Y298 VanDerWaalsContact CG1-CZ 3.44Å; V296-S325 WeakPolarHBondContact CG2-OG 3.1Å; V296-G326 CarbonylContact C-O 3.35Å; V296-G326 VanDerWaalsContact CA-O 3.28Å; V296-G326 WeakPolarHBondContact CA-O 3.11Å
297	V	98.7	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	106.5	177.3	179.6	0	0	0	0	109	L274 L288 I294 L299 F312 Y324 G326 V327 S328	L274-V297 WeakPolarHBondContact O-CA 3.3Å; L288-V297 HydrophobicContact CD1-CG1 3.98Å; L288-V297 HydrophobicContact CD1-CG2 4.44Å; L288-V297 HydrophobicContact CD2-CG2 3.9Å; I294-V297 HydrophobicContact CD1-CG2 4.09Å; I294-V297 HydrophobicContact CG1-CG2 3.44Å; I294-V297 VanDerWaalsContact CG1-CG2 3.44Å; V297-L299 HydrophobicContact CG1-CD1 3.69Å; V297-L299 HydrophobicContact CG1-CG 3.86Å; V297-F312 HydrophobicContact CG1-CE1 4.26Å; V297-Y324 HydrophobicContact CG2-CD1 4.21Å; V297-Y324 HydrophobicContact CG2-CE1 3.79Å; V297-G326 PolarHBondContact N-O 2.98Å; V297-V327 WeakPolarHBondContact O-CA 3.43Å; V297-S328 PolarHBondContact O-N 2.93Å
298	Y	98.8	Very high	97.6	Very high	73 Å²	73	42.4 Å²	42.4	29%	0.286	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.2	175.4	-60.6	-26.4	0	0	0	110.9	L274 H275 L276 D277 V296 S328	L274-Y298 PolarHBondContact O-N 3.11Å; H275-Y298 HydrophobicContact CB-CD2 4.46Å; H275-Y298 AromaticContact CD2-CD2 3.26Å; H275-Y298 WeakPolarHBondContact CD2-CD2 3.46Å; H275-Y298 AromaticContact CD2-CE2 3.71Å; H275-Y298 AromaticContact CD2-CG 3.96Å; H275-Y298 AromaticContact CG-CD2 3.81Å; H275-Y298 AromaticContact NE2-CD2 3.57Å; H275-Y298 AromaticContact NE2-CE2 3.47Å; H275-Y298 WeakPolarHBondContact NE2-CE2 3.48Å; L276-Y298 CarbonylContact C-O 3.15Å; L276-Y298 VanDerWaalsContact C-O 3.31Å; L276-Y298 WeakPolarHBondContact CA-O 3.42Å; L276-Y298 PolarHBondContact N-O 3.25Å; D277-Y298 PolarHBondContact N-O 3.06Å; V296-Y298 HydrophobicContact CG1-CD1 3.91Å; V296-Y298 HydrophobicContact CG1-CD2 4.41Å; V296-Y298 HydrophobicContact CG1-CE1 3.43Å; V296-Y298 VanDerWaalsContact CG1-CE1 3.43Å; V296-Y298 HydrophobicContact CG1-CE2 3.96Å; V296-Y298 HydrophobicContact CG1-CG 4.38Å; V296-Y298 VanDerWaalsContact CG1-CZ 3.44Å; Y298-S328 VanDerWaalsContact CA-OG 3.31Å; Y298-S328 WeakPolarHBondContact CA-OG 3.09Å; Y298-S328 WeakPolarHBondContact CB-OG 3.19Å; Y298-S328 WeakPolarHBondContact CD1-OG 3.48Å
299	L	98.6	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.			trans	-133.6	13.3	-178.9	-67.6	166.8	0	0	0	111.3	L276 L281 V284 P285 V297 N302 I304 F312 S328 L329 N332	L276-L299 HydrophobicContact CB-CD2 3.79Å; L276-L299 HydrophobicContact CD1-CD2 4.37Å; L281-L299 HydrophobicContact CD1-CD2 3.55Å; V284-L299 HydrophobicContact CG1-CD1 4Å; V284-L299 HydrophobicContact CG2-CD1 4.43Å; P285-L299 HydrophobicContact CG-CD2 4.02Å; V297-L299 HydrophobicContact CG1-CD1 3.69Å; V297-L299 HydrophobicContact CG1-CG 3.86Å; L299-N302 PolarHBondContact O-ND2 2.67Å; L299-I304 HydrophobicContact CB-CD1 4.02Å; L299-I304 HydrophobicContact CD1-CD1 4.38Å; L299-I304 HydrophobicContact CD2-CD1 4.45Å; L299-F312 HydrophobicContact CD1-CE1 4.23Å; L299-F312 HydrophobicContact CD1-CZ 4.02Å; L299-S328 CarbonylContact C-O 3.04Å; L299-S328 VanDerWaalsContact C-O 3.26Å; L299-S328 WeakPolarHBondContact CA-O 3.46Å; L299-S328 WeakPolarHBondContact CB-O 3.06Å; L299-S328 PolarHBondContact N-O 3.29Å; L299-L329 HydrophobicContact CB-CD2 3.82Å; L299-L329 HydrophobicContact CD1-CD2 4.18Å; L299-N332 PolarHBondContact O-ND2 3.34Å
300	H	98.2	Very high	97.5	Very high	34 Å²	34	46.6 Å²	46.6	16%	0.157	25%	0.249	C	C	.	.			trans	-64.4	161.2	175.2	74.8	90.6	0	0	0	111.5	D277 N278 N302 S328 F330	D277-H300 CarbonylContact C-O 3.27Å; D277-H300 WeakPolarHBondContact CA-O 3.26Å; D277-H300 VanDerWaalsContact CB-CD2 3.45Å; D277-H300 WeakPolarHBondContact CB-CD2 3.25Å; D277-H300 WeakPolarHBondContact CB-NE2 3.32Å; D277-H300 WeakPolarHBondContact CB-O 3.36Å; D277-H300 IonicContact OD2-CE1 3.87Å; D277-H300 IonicContact OD2-NE2 3.85Å; N278-H300 PolarHBondContact N-O 3.48Å; H300-N302 PolarHBondContact O-N 3.1Å; H300-N302 PolarHBondContact O-ND2 3.02Å; H300-N302 VanDerWaalsContact O-ND2 3.09Å; H300-S328 PolarHBondContact CD2-OG 2.77Å; H300-S328 PolarHBondContact N-O 3.37Å; H300-S328 VanDerWaalsContact N-O 3.13Å; H300-F330 WeakPolarHBondContact CA-O 3.48Å; H300-F330 HydrophobicContact CB-CD1 3.83Å; H300-F330 HydrophobicContact CB-CD2 3.73Å; H300-F330 HydrophobicContact CB-CE1 3.71Å; H300-F330 HydrophobicContact CB-CE2 3.59Å; H300-F330 HydrophobicContact CB-CG 3.84Å; H300-F330 HydrophobicContact CB-CZ 3.58Å; H300-F330 VanDerWaalsContact CB-O 3.25Å; H300-F330 WeakPolarHBondContact CB-O 3.38Å; H300-F330 AromaticContact CD2-CZ 3.68Å; H300-F330 AromaticContact CE1-CZ 3.93Å; H300-F330 AromaticContact CG-CE1 3.86Å; H300-F330 AromaticContact CG-CE2 3.55Å; H300-F330 AromaticContact CG-CZ 3.34Å; H300-F330 AromaticContact ND1-CE2 3.41Å; H300-F330 WeakPolarHBondContact ND1-CE2 3.44Å; H300-F330 AromaticContact ND1-CZ 3.51Å
301	N	97.9	Very high	97.6	Very high	58 Å²	58	43.2 Å²	43.2	31%	0.31	23%	0.234	S	C	.	.	S	Bend	trans	53.4	54.6	-178.7	-64.6	41.8	0	0	0	112.1	N278 N279 F330 S331	N278-N301 CarbonylContact C-O 3.55Å; N278-N301 WeakPolarHBondContact CA-O 3.19Å; N278-N301 HydrophobicContact CB-CB 4.33Å; N278-N301 PolarHBondContact N-O 3.34Å; N278-N301 VanDerWaalsContact OD1-CB 3.23Å; N278-N301 WeakPolarHBondContact OD1-CB 3.23Å; N278-N301 PolarHBondContact OD1-ND2 3.4Å; N279-N301 PolarHBondContact N-O 2.93Å; N301-F330 PolarHBondContact N-O 3.17Å; N301-F330 VanDerWaalsContact N-O 3.15Å; N301-S331 VanDerWaalsContact CA-O 3.23Å; N301-S331 WeakPolarHBondContact CA-O 3.12Å; N301-S331 PolarHBondContact N-O 3.36Å; N301-S331 WeakPolarHBondContact OD1-CB 3.46Å; N301-S331 PolarHBondContact OD1-OG 3.41Å
302	N	98.6	Very high	97.6	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.07	23%	0.231	C	C	.	.	S	Bend	trans	-132.2	-172.6	177	-90	-87.5	0	0	0	110.2	L276 N279 K280 L281 L299 H300 I304 S331 N332	L276-N302 PolarHBondContact O-ND2 3.37Å; N279-N302 WeakPolarHBondContact CA-OD1 3.35Å; N279-N302 WeakPolarHBondContact CB-OD1 3.36Å; N279-N302 PolarHBondContact O-OD1 3.06Å; K280-N302 PolarHBondContact N-OD1 2.87Å; L281-N302 HydrophobicContact CB-CB 4.4Å; L281-N302 VanDerWaalsContact CB-OD1 3.26Å; L281-N302 WeakPolarHBondContact CB-OD1 3.26Å; L281-N302 WeakPolarHBondContact CG-OD1 3.17Å; L281-N302 PolarHBondContact N-OD1 3.11Å; L299-N302 PolarHBondContact O-ND2 2.67Å; H300-N302 PolarHBondContact O-N 3.1Å; H300-N302 PolarHBondContact O-ND2 3.02Å; H300-N302 VanDerWaalsContact O-ND2 3.09Å; N302-I304 HydrophobicContact CB-CD1 4.41Å; N302-I304 HydrophobicContact CB-CG1 4.2Å; N302-S331 PolarHBondContact N-O 3.23Å; N302-N332 WeakPolarHBondContact CA-OD1 3.43Å; N302-N332 WeakPolarHBondContact CB-OD1 3.38Å; N302-N332 PolarHBondContact O-OD1 3.47Å
303	N	98.1	Very high	97.6	Very high	90 Å²	90	37.4 Å²	37.4	48%	0.481	21%	0.209	S	C	.	.			trans	-110.4	30.2	179.9	-163.4	42.8	0	0	0	112.3	L281 T282 S305 N332 P333	L281-N303 CarbonylContact O-C 3.06Å; L281-N303 VanDerWaalsContact O-CA 3.26Å; L281-N303 WeakPolarHBondContact O-CA 3.45Å; L281-N303 PolarHBondContact O-N 3.35Å; T282-N303 WeakPolarHBondContact CA-O 3.5Å; N303-S305 PolarHBondContact O-N 2.87Å; N303-N332 PolarHBondContact N-OD1 3.28Å; N303-P333 WeakPolarHBondContact OD1-CG 3.26Å
304	I	98	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.			trans	-71.3	114.2	-176.7	-60.5	173.7	0	0	0	109.3	L281 V284 L299 N302 V306 V307 L329 N332 P333 V334	L281-I304 HydrophobicContact CB-CG1 4.33Å; L281-I304 PolarHBondContact O-N 2.85Å; L281-I304 VanDerWaalsContact O-N 3.14Å; V284-I304 HydrophobicContact CG2-CD1 4.42Å; V284-I304 HydrophobicContact CG2-CG2 4.44Å; L299-I304 HydrophobicContact CB-CD1 4.02Å; L299-I304 HydrophobicContact CD1-CD1 4.38Å; L299-I304 HydrophobicContact CD2-CD1 4.45Å; N302-I304 HydrophobicContact CB-CD1 4.41Å; N302-I304 HydrophobicContact CB-CG1 4.2Å; I304-V306 WeakPolarHBondContact CG2-O 3.24Å; I304-V307 HydrophobicContact CG2-CG2 4.01Å; I304-L329 HydrophobicContact CD1-CD2 4.02Å; I304-N332 HydrophobicContact CB-CB 4.37Å; I304-N332 VanDerWaalsContact CB-OD1 3.27Å; I304-N332 WeakPolarHBondContact CB-OD1 3.36Å; I304-N332 WeakPolarHBondContact CG1-OD1 3.36Å; I304-N332 PolarHBondContact N-OD1 3.4Å; I304-P333 WeakPolarHBondContact O-CD 3.18Å; I304-V334 HydrophobicContact CG2-CG1 4.24Å; I304-V334 WeakPolarHBondContact O-CB 3.48Å; I304-V334 WeakPolarHBondContact O-CG1 3.27Å; I304-V334 PolarHBondContact O-N 3.19Å
305	S	96.1	Very high	97.1	Very high	67 Å²	67	38.1 Å²	38.1	47%	0.469	23%	0.226	S	C	.	.			trans	-99.2	-17.8	-178.9	58	0	0	0	0	114.3	N303	N303-S305 PolarHBondContact O-N 2.87Å
306	V	96	Very high	96.7	Very high	100 Å²	100	38.2 Å²	38.2	61%	0.606	24%	0.24	S	C	*	.	B	Isolated β-bridge	trans	-142.2	140.2	179.2	-177.3	0	0	0	0	109.3	I304	I304-V306 WeakPolarHBondContact CG2-O 3.24Å
307	V	97.6	Very high	96.1	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.085	26%	0.264	C	S	.	.			trans	-122.2	117.2	170.4	179.6	0	0	0	0	108.4	V284 I304 D311 F312 L329 V334 I339 T343	V284-V307 HydrophobicContact CG2-CG1 4.19Å; V284-V307 HydrophobicContact CG2-CG2 4.06Å; I304-V307 HydrophobicContact CG2-CG2 4.01Å; V307-D311 HydrophobicContact CG1-CB 4.49Å; V307-F312 HydrophobicContact CG1-CD2 4.25Å; V307-F312 HydrophobicContact CG1-CE2 3.83Å; V307-L329 HydrophobicContact CG2-CD1 4.32Å; V307-V334 HydrophobicContact CG2-CG1 4.1Å; V307-V334 HydrophobicContact CG2-CG2 4.34Å; V307-I339 HydrophobicContact CB-CD1 4.43Å; V307-I339 HydrophobicContact CB-CG1 4.26Å; V307-I339 HydrophobicContact CB-CG2 4.37Å; V307-I339 HydrophobicContact CG1-CG2 4.27Å; V307-I339 HydrophobicContact CG2-CD1 4.14Å; V307-I339 HydrophobicContact CG2-CG1 4.38Å; V307-T343 HydrophobicContact CG1-CG2 3.76Å
308	G	96.5	Very high	95.7	Very high	25 Å²	25	46 Å²	46	26%	0.258	28%	0.276	S	S	.	.			trans	-75.6	151.5	179.8	0	0	0	0	0	113.1	S310 D311	G308-S310 PolarHBondContact O-N 3.19Å; G308-D311 VanDerWaalsContact CA-OD1 3.26Å; G308-D311 WeakPolarHBondContact CA-OD1 3.4Å; G308-D311 PolarHBondContact N-OD1 2.04Å; G308-D311 PolarHBondContact N-OD2 2.83Å; G308-D311 PolarHBondContact O-N 3.18Å; G308-D311 VanDerWaalsContact O-N 3.17Å
309	S	95.8	Very high	95.3	Very high	52 Å²	52	48.2 Å²	48.2	36%	0.364	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-12	-177.6	65.8	0	0	0	0	114.4	R345	S309-R345 PolarHBondContact O-NH1 2.73Å; S309-R345 PolarHBondContact O-NH2 2.91Å
310	S	95.9	Very high	95	Very high	45 Å²	45	56.1 Å²	56.1	32%	0.315	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	26.4	177	-57.2	0	0	0	0	113.2	A289 G308 C313 R345	A289-S310 WeakPolarHBondContact CB-O 3.3Å; G308-S310 PolarHBondContact O-N 3.19Å; S310-C313 WeakPolarHBondContact CA-O 3.49Å; S310-C313 WeakPolarHBondContact CB-O 3.28Å; S310-R345 PolarHBondContact OG-NH2 3.21Å; S310-R345 VanDerWaalsContact OG-NH2 3.1Å
311	D	97.2	Very high	94.9	Very high	48 Å²	48	55.6 Å²	55.6	26%	0.257	33%	0.329	S	S	.	.	S	Bend	trans	-69.7	-46.5	176.3	-68.5	7.3	0	0	0	110.8	V284 L288 A289 V307 G308	V284-D311 HydrophobicContact CB-CB 3.97Å; V284-D311 HydrophobicContact CG1-CB 3.92Å; V284-D311 HydrophobicContact CG2-CB 4.3Å; L288-D311 WeakPolarHBondContact CB-O 3.41Å; A289-D311 PolarHBondContact N-O 2.87Å; V307-D311 HydrophobicContact CG1-CB 4.49Å; G308-D311 VanDerWaalsContact CA-OD1 3.26Å; G308-D311 WeakPolarHBondContact CA-OD1 3.4Å; G308-D311 PolarHBondContact N-OD1 2.04Å; G308-D311 PolarHBondContact N-OD2 2.83Å; G308-D311 PolarHBondContact O-N 3.18Å; G308-D311 VanDerWaalsContact O-N 3.17Å
312	F	97.4	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-95.3	-33.2	-177.8	-65.9	-82.2	0	0	0	114.1	V284 L288 A289 V297 L299 V307 K321 Y324 V327 L329 T343 F344	V284-F312 HydrophobicContact CG1-CE1 4.09Å; V284-F312 HydrophobicContact CG1-CE2 4.06Å; V284-F312 HydrophobicContact CG1-CZ 3.75Å; V284-F312 HydrophobicContact CG2-CE2 3.88Å; V284-F312 HydrophobicContact CG2-CZ 3.95Å; L288-F312 HydrophobicContact CD1-CD1 4.33Å; L288-F312 HydrophobicContact CD1-CE1 4.19Å; A289-F312 WeakPolarHBondContact CA-O 3.41Å; V297-F312 HydrophobicContact CG1-CE1 4.26Å; L299-F312 HydrophobicContact CD1-CE1 4.23Å; L299-F312 HydrophobicContact CD1-CZ 4.02Å; V307-F312 HydrophobicContact CG1-CD2 4.25Å; V307-F312 HydrophobicContact CG1-CE2 3.83Å; F312-K321 WeakPolarHBondContact O-CE 3.48Å; F312-Y324 HydrophobicContact CB-CE2 4.13Å; F312-Y324 HydrophobicContact CD1-CE1 4.49Å; F312-Y324 VanDerWaalsContact O-CE2 3.26Å; F312-Y324 WeakPolarHBondContact O-CE2 3.49Å; F312-Y324 PolarHBondContact O-OH 3.33Å; F312-V327 HydrophobicContact CD1-CG1 4.14Å; F312-V327 HydrophobicContact CD1-CG2 4.4Å; F312-V327 HydrophobicContact CE1-CG1 3.53Å; F312-V327 HydrophobicContact CE1-CG2 4.46Å; F312-V327 HydrophobicContact CZ-CG1 3.75Å; F312-L329 HydrophobicContact CE2-CD1 3.99Å; F312-L329 HydrophobicContact CZ-CD1 3.99Å; F312-L329 HydrophobicContact CZ-CD2 4.4Å; F312-L329 HydrophobicContact CZ-CG 4.47Å; F312-T343 HydrophobicContact CD2-CG2 4.03Å; F312-F344 HydrophobicContact CD2-CD1 4.27Å; F312-F344 AromaticContact CD2-CE1 3.61Å; F312-F344 HydrophobicContact CD2-CE1 3.61Å; F312-F344 HydrophobicContact CD2-CZ 4.37Å; F312-F344 AromaticContact CE2-CE1 3.87Å; F312-F344 HydrophobicContact CE2-CE1 3.87Å; F312-F344 HydrophobicContact CE2-CZ 4.33Å; F312-F344 HydrophobicContact CG-CD1 4.45Å; F312-F344 HydrophobicContact CG-CE1 4.08Å
313	C	97.1	Very high	94.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-120.8	136.5	-172.4	-63.9	0	0	0	0	111.4	S310 T343 R345 C346	S310-C313 WeakPolarHBondContact CA-O 3.49Å; S310-C313 WeakPolarHBondContact CB-O 3.28Å; C313-T343 PolarHBondContact SG-O 3.37Å; C313-T343 VanDerWaalsContact SG-O 3.34Å; C313-R345 HydrophobicContact CB-CG 3.95Å; C313-R345 PolarHBondContact O-NH2 3.07Å; C313-C346 VanDerWaalsContact CA-SG 3.51Å; C313-C346 HydrophobicContact CB-CB 3.84Å; C313-C346 WeakPolarHBondContact CB-SG 3.32Å; C313-C346 WeakPolarHBondContact SG-CB 3.39Å; C313-C346 PolarHBondContact SG-N 3.05Å; C313-C346 CovalentContact SG-SG 2.04Å; C313-C346 PolarHBondContact SG-SG 3.1Å
314	P	95.3	Very high	94.7	Very high	10 Å²	10	51.4 Å²	51.4	7%	0.065	31%	0.314	C	S	.	.			trans	-67.3	156.4	177.4	27.9	-32.7	0	0	0	111.3	A289 G316 N318 K321 R345	A289-P314 WeakPolarHBondContact O-CD 3.48Å; P314-G316 PolarHBondContact O-N 2.97Å; P314-N318 HydrophobicContact CG-CB 3.81Å; P314-K321 HydrophobicContact CG-CD 4.32Å; P314-R345 VanDerWaalsContact C-NH2 3.29Å; P314-R345 PolarHBondContact O-NE 2.82Å; P314-R345 PolarHBondContact O-NH2 3.08Å
315	P	90.8	Very high	94.7	Very high	103 Å²	103	54.8 Å²	54.8	67%	0.669	34%	0.338	S	S	*	.	S	Bend	trans	-55.8	-50.1	-175.8	-28.9	36.7	0	0	0	113.6
316	G	89.6	Confident	94.7	Very high	52 Å²	52	51.9 Å²	51.9	54%	0.536	32%	0.319	S	S	.	.	S	Bend	trans	-89.2	161.2	172.6	0	0	0	0	0	113	P314 N318	P314-G316 PolarHBondContact O-N 2.97Å; G316-N318 PolarHBondContact O-N 3.08Å
317	H	86.1	Confident	94.8	Very high	135 Å²	135	47.1 Å²	47.1	63%	0.625	29%	0.29	S	S	*	.			trans	-68.8	126.8	175.3	-176.6	67.8	0	0	0	111.2	Y348	H317-Y348 PolarHBondContact CE1-OH 3.5Å
318	N	90.3	Very high	94.9	Very high	46 Å²	46	46.4 Å²	46.4	25%	0.246	29%	0.286	C	S	.	.			trans	-120.5	97.6	-174.7	-178.3	-4.7	0	0	0	110.8	P314 G316 K320 K321	P314-N318 HydrophobicContact CG-CB 3.81Å; G316-N318 PolarHBondContact O-N 3.08Å; N318-K320 PolarHBondContact O-N 3.04Å; N318-K320 VanDerWaalsContact O-N 3.08Å; N318-K320 WeakPolarHBondContact OD1-CB 3.28Å; N318-K320 PolarHBondContact OD1-N 3.22Å; N318-K321 HydrophobicContact CB-CB 4.28Å; N318-K321 PolarHBondContact O-N 3.34Å; N318-K321 VanDerWaalsContact O-N 3.07Å
319	T	89.9	Confident	94.9	Very high	121 Å²	121	45.5 Å²	45.5	74%	0.742	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.8	179.8	55.1	0	0	0	0	114.4
320	K	93.3	Very high	95	Very high	166 Å²	166	44.8 Å²	44.8	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	2.6	176.4	-59.7	-179.3	-178.8	177.7	0	113.1	N318	N318-K320 PolarHBondContact O-N 3.04Å; N318-K320 VanDerWaalsContact O-N 3.08Å; N318-K320 WeakPolarHBondContact OD1-CB 3.28Å; N318-K320 PolarHBondContact OD1-N 3.22Å
321	K	96.2	Very high	95	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.096	28%	0.276	C	S	.	.	S	Bend	trans	-96.7	129	171.5	-177.9	-179	173.8	71.5	0	109.4	L288 A289 H291 F312 P314 N318 Y324	L288-K321 PolarHBondContact O-NZ 2.76Å; A289-K321 WeakPolarHBondContact O-CD 3.48Å; A289-K321 PolarHBondContact O-NZ 2.71Å; H291-K321 PolarHBondContact O-NZ 3.04Å; F312-K321 WeakPolarHBondContact O-CE 3.48Å; P314-K321 HydrophobicContact CG-CD 4.32Å; N318-K321 HydrophobicContact CB-CB 4.28Å; N318-K321 PolarHBondContact O-N 3.34Å; N318-K321 VanDerWaalsContact O-N 3.07Å; K321-Y324 PolarHBondContact NZ-OH 3.47Å
322	A	95.8	Very high	95	Very high	33 Å²	33	44.8 Å²	44.8	27%	0.273	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-62.7	138.9	170.7	0	0	0	0	0	110.8	K292 Q295	K292-A322 PolarHBondContact O-N 3.27Å; Q295-A322 HydrophobicContact CG-CB 3.92Å
323	S	95.8	Very high	95	Very high	38 Å²	38	47.7 Å²	47.7	27%	0.266	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-65.5	141.2	168.7	179.5	0	0	0	0	109.4
324	Y	98	Very high	94.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.3	138.7	170.2	-62.2	-89.5	0	0	0	110.5	L288 I294 Q295 V297 F312 K321 V327 V347	L288-Y324 PolarHBondContact O-OH 2.79Å; I294-Y324 HydrophobicContact CG1-CE1 4.37Å; I294-Y324 HydrophobicContact CG2-CE1 3.75Å; Q295-Y324 CarbonylContact O-C 3.39Å; Q295-Y324 VanDerWaalsContact O-CA 3.26Å; Q295-Y324 WeakPolarHBondContact O-CA 3.44Å; V297-Y324 HydrophobicContact CG2-CD1 4.21Å; V297-Y324 HydrophobicContact CG2-CE1 3.79Å; F312-Y324 HydrophobicContact CB-CE2 4.13Å; F312-Y324 HydrophobicContact CD1-CE1 4.49Å; F312-Y324 VanDerWaalsContact O-CE2 3.26Å; F312-Y324 WeakPolarHBondContact O-CE2 3.49Å; F312-Y324 PolarHBondContact O-OH 3.33Å; K321-Y324 PolarHBondContact NZ-OH 3.47Å; Y324-V327 HydrophobicContact CD1-CG2 3.76Å; Y324-V327 HydrophobicContact CE1-CG2 4.49Å; Y324-V327 HydrophobicContact CG-CG2 3.81Å; Y324-V347 HydrophobicContact CD2-CG2 3.83Å; Y324-V347 HydrophobicContact CG-CG2 4.39Å
325	S	97.5	Very high	94.9	Very high	71 Å²	71	51 Å²	51	50%	0.497	30%	0.302	S	S	.	.	S	Bend	trans	-103.4	-18.8	170.7	52.2	0	0	0	0	112.3	Q295 V296 A352	Q295-S325 PolarHBondContact O-N 2.71Å; Q295-S325 PolarHBondContact O-OG 3.26Å; V296-S325 WeakPolarHBondContact CG2-OG 3.1Å; S325-A352 VanDerWaalsContact O-CB 3.31Å; S325-A352 WeakPolarHBondContact O-CB 3.45Å
326	G	97.6	Very high	95	Very high	6 Å²	6	53.1 Å²	53.1	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	127.2	173.6	0	0	0	0	0	112.7	Q295 V296 V297 A352	Q295-G326 PolarHBondContact O-N 3.4Å; Q295-G326 VanDerWaalsContact O-N 3.14Å; V296-G326 CarbonylContact C-O 3.35Å; V296-G326 VanDerWaalsContact CA-O 3.28Å; V296-G326 WeakPolarHBondContact CA-O 3.11Å; V297-G326 PolarHBondContact N-O 2.98Å; G326-A352 CarbonylContact C-O 3.53Å; G326-A352 WeakPolarHBondContact CA-O 3.33Å
327	V	98.2	Very high	95.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	118.7	169.8	-179.6	0	0	0	0	108.1	V297 F312 Y324 L329 F344 A352 I353 Q354	V297-V327 WeakPolarHBondContact O-CA 3.43Å; F312-V327 HydrophobicContact CD1-CG1 4.14Å; F312-V327 HydrophobicContact CD1-CG2 4.4Å; F312-V327 HydrophobicContact CE1-CG1 3.53Å; F312-V327 HydrophobicContact CE1-CG2 4.46Å; F312-V327 HydrophobicContact CZ-CG1 3.75Å; Y324-V327 HydrophobicContact CD1-CG2 3.76Å; Y324-V327 HydrophobicContact CE1-CG2 4.49Å; Y324-V327 HydrophobicContact CG-CG2 3.81Å; V327-L329 HydrophobicContact CG1-CD1 4.41Å; V327-F344 HydrophobicContact CG1-CE1 4.23Å; V327-A352 PolarHBondContact N-O 3.18Å; V327-I353 WeakPolarHBondContact O-CA 3.34Å; V327-Q354 PolarHBondContact O-N 3.01Å
328	S	97.9	Very high	95.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.3	179	62.3	0	0	0	0	112.2	V297 Y298 L299 H300	V297-S328 PolarHBondContact O-N 2.93Å; Y298-S328 VanDerWaalsContact CA-OG 3.31Å; Y298-S328 WeakPolarHBondContact CA-OG 3.09Å; Y298-S328 WeakPolarHBondContact CB-OG 3.19Å; Y298-S328 WeakPolarHBondContact CD1-OG 3.48Å; L299-S328 CarbonylContact C-O 3.04Å; L299-S328 VanDerWaalsContact C-O 3.26Å; L299-S328 WeakPolarHBondContact CA-O 3.46Å; L299-S328 WeakPolarHBondContact CB-O 3.06Å; L299-S328 PolarHBondContact N-O 3.29Å; H300-S328 PolarHBondContact CD2-OG 2.77Å; H300-S328 PolarHBondContact N-O 3.37Å; H300-S328 VanDerWaalsContact N-O 3.13Å
329	L	97.7	Very high	95.9	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	29%	0.285	C	S	.	.			trans	-134.2	4.2	-179.5	-71.2	164	0	0	0	112.4	L299 I304 V307 F312 V327 N332 I339 F344 Q354 L355	L299-L329 HydrophobicContact CB-CD2 3.82Å; L299-L329 HydrophobicContact CD1-CD2 4.18Å; I304-L329 HydrophobicContact CD1-CD2 4.02Å; V307-L329 HydrophobicContact CG2-CD1 4.32Å; F312-L329 HydrophobicContact CE2-CD1 3.99Å; F312-L329 HydrophobicContact CZ-CD1 3.99Å; F312-L329 HydrophobicContact CZ-CD2 4.4Å; F312-L329 HydrophobicContact CZ-CG 4.47Å; V327-L329 HydrophobicContact CG1-CD1 4.41Å; L329-N332 WeakPolarHBondContact O-CB 3.26Å; L329-N332 PolarHBondContact O-ND2 2.81Å; L329-I339 HydrophobicContact CD1-CD1 4.32Å; L329-F344 HydrophobicContact CD1-CZ 3.99Å; L329-Q354 PolarHBondContact N-O 3.18Å; L329-L355 HydrophobicContact CB-CD2 3.85Å; L329-L355 HydrophobicContact CD1-CD2 4Å; L329-L355 HydrophobicContact CG-CD2 4.49Å
330	F	96.6	Very high	96.1	Very high	38 Å²	38	54.8 Å²	54.8	17%	0.167	28%	0.275	C	S	.	.			trans	-56	159.6	171.5	65.1	-96.5	0	0	0	112	H300 N301 N332 Q354 G356	H300-F330 WeakPolarHBondContact CA-O 3.48Å; H300-F330 HydrophobicContact CB-CD1 3.83Å; H300-F330 HydrophobicContact CB-CD2 3.73Å; H300-F330 HydrophobicContact CB-CE1 3.71Å; H300-F330 HydrophobicContact CB-CE2 3.59Å; H300-F330 HydrophobicContact CB-CG 3.84Å; H300-F330 HydrophobicContact CB-CZ 3.58Å; H300-F330 VanDerWaalsContact CB-O 3.25Å; H300-F330 WeakPolarHBondContact CB-O 3.38Å; H300-F330 AromaticContact CD2-CZ 3.68Å; H300-F330 AromaticContact CE1-CZ 3.93Å; H300-F330 AromaticContact CG-CE1 3.86Å; H300-F330 AromaticContact CG-CE2 3.55Å; H300-F330 AromaticContact CG-CZ 3.34Å; H300-F330 AromaticContact ND1-CE2 3.41Å; H300-F330 WeakPolarHBondContact ND1-CE2 3.44Å; H300-F330 AromaticContact ND1-CZ 3.51Å; N301-F330 PolarHBondContact N-O 3.17Å; N301-F330 VanDerWaalsContact N-O 3.15Å; F330-N332 VanDerWaalsContact C-N 3.31Å; F330-N332 PolarHBondContact O-N 3Å; F330-N332 PolarHBondContact O-ND2 3.19Å; F330-Q354 HydrophobicContact CD1-CB 3.99Å; F330-Q354 HydrophobicContact CE1-CB 4.35Å; F330-Q354 PolarHBondContact N-O 2.98Å; F330-G356 WeakPolarHBondContact CB-O 3.49Å
331	S	96.7	Very high	96.1	Very high	76 Å²	76	52.8 Å²	52.8	53%	0.531	28%	0.279	S	S	.	.	S	Bend	trans	52.8	45.6	-174.4	-55.4	0	0	0	0	113.5	N301 N302	N301-S331 VanDerWaalsContact CA-O 3.23Å; N301-S331 WeakPolarHBondContact CA-O 3.12Å; N301-S331 PolarHBondContact N-O 3.36Å; N301-S331 WeakPolarHBondContact OD1-CB 3.46Å; N301-S331 PolarHBondContact OD1-OG 3.41Å; N302-S331 PolarHBondContact N-O 3.23Å
332	N	97.3	Very high	96	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.091	29%	0.291	C	S	.	.	S	Bend	trans	-124.6	161.3	167.2	-81	-89.6	0	0	0	109.6	L299 N302 N303 I304 L329 F330 V334	L299-N332 PolarHBondContact O-ND2 3.34Å; N302-N332 WeakPolarHBondContact CA-OD1 3.43Å; N302-N332 WeakPolarHBondContact CB-OD1 3.38Å; N302-N332 PolarHBondContact O-OD1 3.47Å; N303-N332 PolarHBondContact N-OD1 3.28Å; I304-N332 HydrophobicContact CB-CB 4.37Å; I304-N332 VanDerWaalsContact CB-OD1 3.27Å; I304-N332 WeakPolarHBondContact CB-OD1 3.36Å; I304-N332 WeakPolarHBondContact CG1-OD1 3.36Å; I304-N332 PolarHBondContact N-OD1 3.4Å; L329-N332 WeakPolarHBondContact O-CB 3.26Å; L329-N332 PolarHBondContact O-ND2 2.81Å; F330-N332 VanDerWaalsContact C-N 3.31Å; F330-N332 PolarHBondContact O-N 3Å; F330-N332 PolarHBondContact O-ND2 3.19Å; N332-V334 VanDerWaalsContact C-N 3.33Å; N332-V334 HydrophobicContact CB-CG1 4.1Å; N332-V334 PolarHBondContact O-N 3.07Å
333	P	97.1	Very high	96.1	Very high	60 Å²	60	52.5 Å²	52.5	39%	0.39	28%	0.278	S	S	.	.	S	Bend	trans	-57.7	-38.5	171.9	-25.8	33	0	0	0	114.4	N303 I304 Q335	N303-P333 WeakPolarHBondContact OD1-CG 3.26Å; I304-P333 WeakPolarHBondContact O-CD 3.18Å; P333-Q335 PolarHBondContact O-N 2.84Å; P333-Q335 PolarHBondContact O-NE2 3.48Å
334	V	95.9	Very high	96.1	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.073	27%	0.27	C	S	.	.	S	Bend	trans	-63.3	130.7	-179.6	66.5	0	0	0	0	112.1	I304 V307 N332 E338 I339	I304-V334 HydrophobicContact CG2-CG1 4.24Å; I304-V334 WeakPolarHBondContact O-CB 3.48Å; I304-V334 WeakPolarHBondContact O-CG1 3.27Å; I304-V334 PolarHBondContact O-N 3.19Å; V307-V334 HydrophobicContact CG2-CG1 4.1Å; V307-V334 HydrophobicContact CG2-CG2 4.34Å; N332-V334 VanDerWaalsContact C-N 3.33Å; N332-V334 HydrophobicContact CB-CG1 4.1Å; N332-V334 PolarHBondContact O-N 3.07Å; V334-E338 HydrophobicContact CG2-CB 4.21Å; V334-I339 HydrophobicContact CG2-CD1 4.32Å; V334-I339 HydrophobicContact CG2-CG1 3.91Å
335	Q	94.5	Very high	96	Very high	68 Å²	68	56 Å²	56	32%	0.318	29%	0.286	S	S	.	.			trans	-97	154.8	-177.5	-57.5	-58.7	-51	0	0	112.1	P333 W337 E338	P333-Q335 PolarHBondContact O-N 2.84Å; P333-Q335 PolarHBondContact O-NE2 3.48Å; Q335-W337 HydrophobicContact CB-CD2 3.77Å; Q335-W337 HydrophobicContact CB-CE3 4.15Å; Q335-W337 HydrophobicContact CB-CG 4.38Å; Q335-W337 HydrophobicContact CB-CH2 3.84Å; Q335-W337 HydrophobicContact CB-CZ2 3.41Å; Q335-W337 VanDerWaalsContact CB-CZ2 3.41Å; Q335-W337 HydrophobicContact CB-CZ3 4.18Å; Q335-W337 HydrophobicContact CG-CH2 3.88Å; Q335-W337 HydrophobicContact CG-CZ2 3.46Å; Q335-W337 VanDerWaalsContact CG-CZ2 3.46Å; Q335-W337 PolarHBondContact O-N 3.31Å; Q335-W337 VanDerWaalsContact O-N 3.1Å; Q335-E338 PolarHBondContact N-OE2 2.79Å; Q335-E338 WeakPolarHBondContact O-CB 3.29Å; Q335-E338 PolarHBondContact O-N 3.36Å
336	Y	93.1	Very high	95.9	Very high	147 Å²	147	53.4 Å²	53.4	58%	0.576	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.2	-172.7	77.3	-99.1	0	0	0	113.7
337	W	93.1	Very high	95.8	Very high	163 Å²	163	54.1 Å²	54.1	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-15.3	177.1	57.1	73.5	0	0	0	113.7	Q335	Q335-W337 HydrophobicContact CB-CD2 3.77Å; Q335-W337 HydrophobicContact CB-CE3 4.15Å; Q335-W337 HydrophobicContact CB-CG 4.38Å; Q335-W337 HydrophobicContact CB-CH2 3.84Å; Q335-W337 HydrophobicContact CB-CZ2 3.41Å; Q335-W337 VanDerWaalsContact CB-CZ2 3.41Å; Q335-W337 HydrophobicContact CB-CZ3 4.18Å; Q335-W337 HydrophobicContact CG-CH2 3.88Å; Q335-W337 HydrophobicContact CG-CZ2 3.46Å; Q335-W337 VanDerWaalsContact CG-CZ2 3.46Å; Q335-W337 PolarHBondContact O-N 3.31Å; Q335-W337 VanDerWaalsContact O-N 3.1Å
338	E	95.5	Very high	95.5	Very high	100 Å²	100	62 Å²	62	47%	0.467	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.4	174.5	-73.3	143.7	-153.7	0	0	111.8	V334 Q335 Q340	V334-E338 HydrophobicContact CG2-CB 4.21Å; Q335-E338 PolarHBondContact N-OE2 2.79Å; Q335-E338 WeakPolarHBondContact O-CB 3.29Å; Q335-E338 PolarHBondContact O-N 3.36Å; E338-Q340 PolarHBondContact O-N 3.13Å
339	I	96.1	Very high	95.4	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.072	32%	0.324	C	S	.	.	S	Bend	trans	-83.8	115.6	-179.9	-48.9	178.6	0	0	0	109.6	V307 L329 V334 T343 F344 L355	V307-I339 HydrophobicContact CB-CD1 4.43Å; V307-I339 HydrophobicContact CB-CG1 4.26Å; V307-I339 HydrophobicContact CB-CG2 4.37Å; V307-I339 HydrophobicContact CG1-CG2 4.27Å; V307-I339 HydrophobicContact CG2-CD1 4.14Å; V307-I339 HydrophobicContact CG2-CG1 4.38Å; L329-I339 HydrophobicContact CD1-CD1 4.32Å; V334-I339 HydrophobicContact CG2-CD1 4.32Å; V334-I339 HydrophobicContact CG2-CG1 3.91Å; I339-T343 HydrophobicContact CG2-CG2 4.01Å; I339-F344 HydrophobicContact CG2-CE2 3.73Å; I339-F344 HydrophobicContact CG2-CZ 4.26Å; I339-L355 HydrophobicContact CD1-CD1 4.45Å; I339-L355 HydrophobicContact CD1-CD2 4.19Å
340	Q	95.3	Very high	95	Very high	112 Å²	112	76.5 Å²	76.5	52%	0.523	37%	0.365	S	S	.	.			trans	-60.6	137.1	176.9	-60.9	-176.1	-0.3	0	0	111.3	E338 S342 T343	E338-Q340 PolarHBondContact O-N 3.13Å; Q340-S342 VanDerWaalsContact CB-OG 3.32Å; Q340-S342 WeakPolarHBondContact CB-OG 3.37Å; Q340-S342 PolarHBondContact O-N 3.38Å; Q340-S342 VanDerWaalsContact O-N 3.08Å; Q340-S342 PolarHBondContact OE1-OG 3.14Å; Q340-T343 WeakPolarHBondContact O-CB 3.14Å; Q340-T343 PolarHBondContact O-N 2.95Å; Q340-T343 PolarHBondContact O-OG1 3.25Å
341	P	92.6	Very high	94.9	Very high	124 Å²	124	79 Å²	79	81%	0.805	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-57.3	-27.2	175.8	-27.5	35.5	0	0	0	114	T343	P341-T343 PolarHBondContact O-N 3.15Å
342	S	94.7	Very high	94.8	Very high	50 Å²	50	75.5 Å²	75.5	35%	0.35	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-61.2	-27.5	174.9	56	0	0	0	0	113.6	Q340 F344 R345	Q340-S342 VanDerWaalsContact CB-OG 3.32Å; Q340-S342 WeakPolarHBondContact CB-OG 3.37Å; Q340-S342 PolarHBondContact O-N 3.38Å; Q340-S342 VanDerWaalsContact O-N 3.08Å; Q340-S342 PolarHBondContact OE1-OG 3.14Å; S342-F344 PolarHBondContact O-N 3.29Å; S342-R345 VanDerWaalsContact O-CB 3.31Å; S342-R345 WeakPolarHBondContact O-CB 3.31Å; S342-R345 VanDerWaalsContact O-CG 3.31Å; S342-R345 WeakPolarHBondContact O-CG 3.31Å; S342-R345 PolarHBondContact O-N 3.13Å; S342-R345 PolarHBondContact O-NH1 3.21Å
343	T	96.9	Very high	94.8	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-53.7	-38.4	-179.6	-63.6	0	0	0	0	112.6	V307 F312 C313 I339 Q340 P341	V307-T343 HydrophobicContact CG1-CG2 3.76Å; F312-T343 HydrophobicContact CD2-CG2 4.03Å; C313-T343 PolarHBondContact SG-O 3.37Å; C313-T343 VanDerWaalsContact SG-O 3.34Å; I339-T343 HydrophobicContact CG2-CG2 4.01Å; Q340-T343 WeakPolarHBondContact O-CB 3.14Å; Q340-T343 PolarHBondContact O-N 2.95Å; Q340-T343 PolarHBondContact O-OG1 3.25Å; P341-T343 PolarHBondContact O-N 3.15Å
344	F	96.6	Very high	94.7	Very high	21 Å²	21	75.6 Å²	75.6	9%	0.092	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-103.9	21.3	-176	-56.9	-67	0	0	0	113.8	F312 V327 L329 I339 S342 C346 V347 I353 L355	F312-F344 HydrophobicContact CD2-CD1 4.27Å; F312-F344 AromaticContact CD2-CE1 3.61Å; F312-F344 HydrophobicContact CD2-CE1 3.61Å; F312-F344 HydrophobicContact CD2-CZ 4.37Å; F312-F344 AromaticContact CE2-CE1 3.87Å; F312-F344 HydrophobicContact CE2-CE1 3.87Å; F312-F344 HydrophobicContact CE2-CZ 4.33Å; F312-F344 HydrophobicContact CG-CD1 4.45Å; F312-F344 HydrophobicContact CG-CE1 4.08Å; V327-F344 HydrophobicContact CG1-CE1 4.23Å; L329-F344 HydrophobicContact CD1-CZ 3.99Å; I339-F344 HydrophobicContact CG2-CE2 3.73Å; I339-F344 HydrophobicContact CG2-CZ 4.26Å; S342-F344 PolarHBondContact O-N 3.29Å; F344-C346 PolarHBondContact O-N 3.21Å; F344-V347 HydrophobicContact CB-CB 4.4Å; F344-V347 HydrophobicContact CB-CG2 4.11Å; F344-V347 HydrophobicContact CD1-CG2 4.43Å; F344-V347 WeakPolarHBondContact O-CB 3.46Å; F344-V347 PolarHBondContact O-N 3.34Å; F344-I353 HydrophobicContact CB-CD1 3.65Å; F344-I353 HydrophobicContact CD1-CD1 4.24Å; F344-I353 HydrophobicContact CD1-CG2 4.49Å; F344-I353 HydrophobicContact CD2-CD1 4.03Å; F344-I353 HydrophobicContact CD2-CG2 4.25Å; F344-I353 HydrophobicContact CE1-CG2 4.25Å; F344-I353 HydrophobicContact CE2-CG2 3.98Å; F344-I353 HydrophobicContact CG-CD1 3.72Å; F344-I353 HydrophobicContact CZ-CG2 3.99Å; F344-L355 HydrophobicContact CE2-CD1 4.38Å; F344-L355 HydrophobicContact CZ-CD2 4.46Å
345	R	95.4	Very high	94.6	Very high	91 Å²	91	77.4 Å²	77.4	34%	0.343	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-10.3	-178.9	66.9	-176.8	167.1	-78.8	3.8	116.8	S309 S310 C313 P314 S342	S309-R345 PolarHBondContact O-NH1 2.73Å; S309-R345 PolarHBondContact O-NH2 2.91Å; S310-R345 PolarHBondContact OG-NH2 3.21Å; S310-R345 VanDerWaalsContact OG-NH2 3.1Å; C313-R345 HydrophobicContact CB-CG 3.95Å; C313-R345 PolarHBondContact O-NH2 3.07Å; P314-R345 VanDerWaalsContact C-NH2 3.29Å; P314-R345 PolarHBondContact O-NE 2.82Å; P314-R345 PolarHBondContact O-NH2 3.08Å; S342-R345 VanDerWaalsContact O-CB 3.31Å; S342-R345 WeakPolarHBondContact O-CB 3.31Å; S342-R345 VanDerWaalsContact O-CG 3.31Å; S342-R345 WeakPolarHBondContact O-CG 3.31Å; S342-R345 PolarHBondContact O-N 3.13Å; S342-R345 PolarHBondContact O-NH1 3.21Å
346	C	94.9	Very high	93.9	Very high	18 Å²	18	75.4 Å²	75.4	12%	0.122	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	12.1	176.7	69.8	0	0	0	0	113.5	C313 F344	C313-C346 VanDerWaalsContact CA-SG 3.51Å; C313-C346 HydrophobicContact CB-CB 3.84Å; C313-C346 WeakPolarHBondContact CB-SG 3.32Å; C313-C346 WeakPolarHBondContact SG-CB 3.39Å; C313-C346 PolarHBondContact SG-N 3.05Å; C313-C346 CovalentContact SG-SG 2.04Å; C313-C346 PolarHBondContact SG-SG 3.1Å; F344-C346 PolarHBondContact O-N 3.21Å
347	V	95.9	Very high	92.5	Very high	20 Å²	20	76.4 Å²	76.4	12%	0.121	38%	0.38	C	S	.	.			trans	-113.4	113.3	177.1	-170.9	0	0	0	0	109	Y324 F344 A352 I353	Y324-V347 HydrophobicContact CD2-CG2 3.83Å; Y324-V347 HydrophobicContact CG-CG2 4.39Å; F344-V347 HydrophobicContact CB-CB 4.4Å; F344-V347 HydrophobicContact CB-CG2 4.11Å; F344-V347 HydrophobicContact CD1-CG2 4.43Å; F344-V347 WeakPolarHBondContact O-CB 3.46Å; F344-V347 PolarHBondContact O-N 3.34Å; V347-A352 HydrophobicContact CG1-CB 4.02Å; V347-I353 HydrophobicContact CB-CD1 4.16Å; V347-I353 HydrophobicContact CG1-CD1 4.02Å; V347-I353 HydrophobicContact CG1-CG1 3.92Å
348	Y	92.8	Very high	90.9	Very high	165 Å²	165	73.9 Å²	73.9	65%	0.647	37%	0.371	S	S	*	.			trans	-88.6	-18.9	-177.3	-58.6	-71.3	0	0	0	114.1	H317	H317-Y348 PolarHBondContact CE1-OH 3.5Å
349	V	94.4	Very high	88.6	Confident	79 Å²	79	81.6 Å²	81.6	48%	0.479	40%	0.403	S	S	.	.			trans	-105.4	106.6	-175.3	178.5	0	0	0	0	109.1	S351 A352	V349-S351 VanDerWaalsContact C-N 3.26Å; V349-S351 VanDerWaalsContact CG1-OG 3.29Å; V349-S351 WeakPolarHBondContact CG1-OG 3.32Å; V349-S351 PolarHBondContact O-N 2.71Å; V349-A352 HydrophobicContact CB-CB 4.33Å; V349-A352 HydrophobicContact CG1-CB 4.47Å; V349-A352 WeakPolarHBondContact O-CB 3.48Å; V349-A352 PolarHBondContact O-N 2.8Å
350	R	90.4	Very high	88.2	Confident	231 Å²	231	85 Å²	85	87%	0.872	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-58.8	-35.5	-176.7	-176.5	174.6	176.7	167.8	-0.5	113.2	A352 I353	R350-A352 PolarHBondContact O-N 2.98Å; R350-I353 PolarHBondContact O-N 3.43Å
351	S	93.5	Very high	87.9	Confident	91 Å²	91	83.6 Å²	83.6	64%	0.636	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-70.1	-9.2	177.4	47.2	0	0	0	0	114.4	V349 I353	V349-S351 VanDerWaalsContact C-N 3.26Å; V349-S351 VanDerWaalsContact CG1-OG 3.29Å; V349-S351 WeakPolarHBondContact CG1-OG 3.32Å; V349-S351 PolarHBondContact O-N 2.71Å; S351-I353 PolarHBondContact O-N 3.26Å
352	A	95.5	Very high	87.6	Confident	3 Å²	3	81.3 Å²	81.3	3%	0.025	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-70.3	-21.2	170	0	0	0	0	0	112.5	S325 G326 V327 V347 V349 R350	S325-A352 VanDerWaalsContact O-CB 3.31Å; S325-A352 WeakPolarHBondContact O-CB 3.45Å; G326-A352 CarbonylContact C-O 3.53Å; G326-A352 WeakPolarHBondContact CA-O 3.33Å; V327-A352 PolarHBondContact N-O 3.18Å; V347-A352 HydrophobicContact CG1-CB 4.02Å; V349-A352 HydrophobicContact CB-CB 4.33Å; V349-A352 HydrophobicContact CG1-CB 4.47Å; V349-A352 WeakPolarHBondContact O-CB 3.48Å; V349-A352 PolarHBondContact O-N 2.8Å; R350-A352 PolarHBondContact O-N 2.98Å
353	I	96.1	Very high	87.2	Confident	36 Å²	36	83.2 Å²	83.2	19%	0.185	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.2	-171.3	-44.2	171.7	0	0	0	110	V327 F344 V347 R350 S351 L355	V327-I353 WeakPolarHBondContact O-CA 3.34Å; F344-I353 HydrophobicContact CB-CD1 3.65Å; F344-I353 HydrophobicContact CD1-CD1 4.24Å; F344-I353 HydrophobicContact CD1-CG2 4.49Å; F344-I353 HydrophobicContact CD2-CD1 4.03Å; F344-I353 HydrophobicContact CD2-CG2 4.25Å; F344-I353 HydrophobicContact CE1-CG2 4.25Å; F344-I353 HydrophobicContact CE2-CG2 3.98Å; F344-I353 HydrophobicContact CG-CD1 3.72Å; F344-I353 HydrophobicContact CZ-CG2 3.99Å; V347-I353 HydrophobicContact CB-CD1 4.16Å; V347-I353 HydrophobicContact CG1-CD1 4.02Å; V347-I353 HydrophobicContact CG1-CG1 3.92Å; R350-I353 PolarHBondContact O-N 3.43Å; S351-I353 PolarHBondContact O-N 3.26Å; I353-L355 HydrophobicContact CG2-CD1 4.24Å; I353-L355 HydrophobicContact CG2-CD2 3.89Å; I353-L355 HydrophobicContact CG2-CG 3.89Å
354	Q	95.8	Very high	86.6	Confident	42 Å²	42	88.4 Å²	88.4	20%	0.196	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	100	-173.7	-54.6	177.2	-18.1	0	0	110.2	V327 L329 F330 Y358	V327-Q354 PolarHBondContact O-N 3.01Å; L329-Q354 PolarHBondContact N-O 3.18Å; F330-Q354 HydrophobicContact CD1-CB 3.99Å; F330-Q354 HydrophobicContact CE1-CB 4.35Å; F330-Q354 PolarHBondContact N-O 2.98Å; Q354-Y358 HydrophobicContact CB-CD1 4.17Å; Q354-Y358 HydrophobicContact CB-CD2 3.82Å; Q354-Y358 HydrophobicContact CB-CE1 4.38Å; Q354-Y358 HydrophobicContact CB-CE2 4.06Å; Q354-Y358 HydrophobicContact CB-CG 3.87Å; Q354-Y358 HydrophobicContact CG-CD1 4.21Å; Q354-Y358 HydrophobicContact CG-CD2 4.07Å; Q354-Y358 HydrophobicContact CG-CE1 3.93Å; Q354-Y358 HydrophobicContact CG-CE2 3.77Å; Q354-Y358 HydrophobicContact CG-CG 4.28Å
355	L	92.8	Very high	85.9	Confident	51 Å²	51	92.9 Å²	92.9	27%	0.267	44%	0.442	S	S	.	.			trans	-120.6	160.6	-175.4	-51.3	-178	0	0	0	111.8	L329 I339 F344 I353	L329-L355 HydrophobicContact CB-CD2 3.85Å; L329-L355 HydrophobicContact CD1-CD2 4Å; L329-L355 HydrophobicContact CG-CD2 4.49Å; I339-L355 HydrophobicContact CD1-CD1 4.45Å; I339-L355 HydrophobicContact CD1-CD2 4.19Å; F344-L355 HydrophobicContact CE2-CD1 4.38Å; F344-L355 HydrophobicContact CZ-CD2 4.46Å; I353-L355 HydrophobicContact CG2-CD1 4.24Å; I353-L355 HydrophobicContact CG2-CD2 3.89Å; I353-L355 HydrophobicContact CG2-CG 3.89Å
356	G	79.6	Confident	85.3	Confident	25 Å²	25	93 Å²	93	26%	0.258	45%	0.449	S	S	.	.	S	Bend	trans	65	-139.3	172	0	0	0	0	0	112.8	F330 Y358	F330-G356 WeakPolarHBondContact CB-O 3.49Å; G356-Y358 PolarHBondContact O-N 3.42Å
357	N	63.9	Low	84.5	Confident	168 Å²	168	98.8 Å²	98.8	90%	0.898	47%	0.474	S	S	*	.	S	Bend	trans	-83.1	58.3	176.6	-70.3	-19.3	0	0	0	111.7	K359	N357-K359 PolarHBondContact O-N 2.78Å
358	Y	60	Low	83.6	Confident	110 Å²	110	105.3 Å²	105.3	43%	0.431	50%	0.503	S	S	.	.			trans	-66.8	127.4	168.2	-154.1	-88.6	0	0	0	108.6	Q354 G356	Q354-Y358 HydrophobicContact CB-CD1 4.17Å; Q354-Y358 HydrophobicContact CB-CD2 3.82Å; Q354-Y358 HydrophobicContact CB-CE1 4.38Å; Q354-Y358 HydrophobicContact CB-CE2 4.06Å; Q354-Y358 HydrophobicContact CB-CG 3.87Å; Q354-Y358 HydrophobicContact CG-CD1 4.21Å; Q354-Y358 HydrophobicContact CG-CD2 4.07Å; Q354-Y358 HydrophobicContact CG-CE1 3.93Å; Q354-Y358 HydrophobicContact CG-CE2 3.77Å; Q354-Y358 HydrophobicContact CG-CG 4.28Å; G356-Y358 PolarHBondContact O-N 3.42Å
359	K	48.1	Very low	82.7	Confident	263 Å²	263	99.9 Å²	99.9	100%	1.143	49%	0.49	S	S	*	.			trans	-122.3	0	-178.9	-81.8	-168.3	172.9	-172.4	0	110	N357	N357-K359 PolarHBondContact O-N 2.78Å

Retrieved 359 of 359 residues in 1916.3 ms (Link to these results)

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