A0A087YEY3_POEFO Loading...

Fibromodulin

Affects the rate of fibrils formation. May have a primary role in collagen fibrillogenesis.

AlphaFold DB , UniProt , Accession A0A087YEY3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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	36.7	Very low	35.1	Very low	236 Å²	236	152.8 Å²	152.8	100%	1.163	81%	0.811	S	S	*	*				0	115.8	0	-98.8	164.5	56.9	0	0	108.2
2	R	36.9	Very low	34.8	Very low	237 Å²	237	154.6 Å²	154.6	89%	0.894	82%	0.819	S	S	*	*			trans	63.4	106.9	171.8	-58.7	-174.3	177.9	-177.8	-1.8	115.2
3	L	34.9	Very low	34.8	Very low	155 Å²	155	155.2 Å²	155.2	81%	0.812	82%	0.821	S	S	*	*				56.2	104.9	50.4	-144.6	90.5	0	0	0	112.1
4	E	38.4	Very low	35.4	Very low	185 Å²	185	151.9 Å²	151.9	86%	0.864	81%	0.813	S	S	*	*				-161.2	136.7	114.6	-75.9	-137	155.5	0	0	111.2
5	T	37.5	Very low	35.1	Very low	109 Å²	109	153 Å²	153	67%	0.669	82%	0.818	S	S	*	*			trans	-99.2	142.2	179.7	37	0	0	0	0	109.9
6	V	37.7	Very low	34.9	Very low	142 Å²	142	150.3 Å²	150.3	86%	0.861	81%	0.813	S	S	*	*			trans	-131.5	120.6	152.7	178.5	0	0	0	0	109.2
7	I	36.9	Very low	34.6	Very low	124 Å²	124	150.9 Å²	150.9	64%	0.636	82%	0.815	S	S	*	*			trans	-92.8	139.2	177.4	-66.6	165.1	0	0	0	107.8	L9	I7-L9 HydrophobicContact CG2-CD1 3.75Å
8	L	32.6	Very low	34.5	Very low	171 Å²	171	147.9 Å²	147.9	90%	0.895	81%	0.807	S	S	*	*			trans	-148.2	117.7	147.1	-116.3	133	0	0	0	110.8
9	L	31.3	Very low	34.5	Very low	136 Å²	136	149.6 Å²	149.6	71%	0.712	81%	0.808	S	S	*	*			trans	-78.9	142.3	179.7	-98.2	106.8	0	0	0	111.5	I7	I7-L9 HydrophobicContact CG2-CD1 3.75Å
10	S	32.3	Very low	34.3	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	81%	0.809	S	S	*	*			trans	19.9	145.8	130.4	75.8	0	0	0	0	119.2
11	A	31.3	Very low	34.3	Very low	86 Å²	86	151 Å²	151	71%	0.711	82%	0.816	S	S	*	*			cis	-169.8	166	23.2	0	0	0	0	0	108.1
12	L	31	Very low	34.8	Very low	174 Å²	174	145.7 Å²	145.7	91%	0.911	79%	0.792	S	S	*	*				-176.9	145.3	124.9	-93.7	161.3	0	0	0	111.6
13	L	34.5	Very low	35	Very low	162 Å²	162	139.2 Å²	139.2	85%	0.848	78%	0.78	S	S	*	*			trans	-70.2	169.9	-163.3	-84.1	143.9	0	0	0	117.1
14	P	43.3	Very low	35.4	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	77%	0.767	S	S	*	*			trans	-96.1	150.9	-178.8	37.2	-29.9	0	0	0	113.2
15	L	30.7	Very low	35.8	Very low	169 Å²	169	131.5 Å²	131.5	89%	0.885	76%	0.756	S	S	*	*			trans	-157.1	117.9	159.9	-97.4	167.7	0	0	0	111.9
16	C	31.4	Very low	36	Very low	109 Å²	109	135.6 Å²	135.6	74%	0.736	76%	0.759	S	S	*	*			trans	38.9	134.9	141.8	-76.8	0	0	0	0	126
17	L	30.8	Very low	36.1	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	75%	0.752	S	S	*	*			trans	74.8	116	141.8	-63.5	164.5	0	0	0	120.2
18	S	31.9	Very low	36.3	Very low	97 Å²	97	138 Å²	138	68%	0.678	76%	0.76	S	S	*	*				167.2	146.7	91.3	59.8	0	0	0	0	114.9
19	H	34.9	Very low	36.8	Very low	179 Å²	179	138 Å²	138	83%	0.829	76%	0.755	S	S	*	*			trans	59.1	105.3	151.5	-61.8	-52.5	0	0	0	121.8
20	G	31.5	Very low	36.9	Very low	80 Å²	80	142.7 Å²	142.7	83%	0.825	76%	0.763	S	S	*	*			trans	-139.2	113.9	151.3	0	0	0	0	0	110
21	W	34.5	Very low	37	Very low	249 Å²	249	145.7 Å²	145.7	94%	0.943	77%	0.765	S	S	*	*			trans	-67.7	131.9	174.9	-75.1	-27.2	0	0	0	111.1	P23	W21-P23 WeakPolarHBondContact O-CD 3.49Å
22	D	46.8	Very low	37	Very low	124 Å²	124	145.7 Å²	145.7	66%	0.663	77%	0.774	S	S	*	*			trans	-84.3	115.9	173.1	-169.8	-18.7	0	0	0	109.9	L24	D22-L24 PolarHBondContact O-N 2.77Å; D22-L24 PolarHBondContact OD1-N 2.72Å
23	P	41.2	Very low	36.9	Very low	101 Å²	101	145.4 Å²	145.4	66%	0.656	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	27.9	-173.8	35.1	-35.6	0	0	0	113.1	W21 W26	W21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-W26 VanDerWaalsContact C-NE1 3.35Å; P23-W26 PolarHBondContact O-NE1 3.39Å
24	L	43.3	Very low	37.1	Very low	103 Å²	103	142.4 Å²	142.4	54%	0.539	77%	0.767	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.5	8.4	177.8	-67.5	176.8	0	0	0	115.8	D22 W26 L27	D22-L24 PolarHBondContact O-N 2.77Å; D22-L24 PolarHBondContact OD1-N 2.72Å; L24-W26 HydrophobicContact CD2-CZ2 4.45Å; L24-W26 PolarHBondContact O-N 3.32Å; L24-L27 PolarHBondContact O-N 2.75Å
25	A	47.1	Very low	36.5	Very low	75 Å²	75	145.7 Å²	145.7	62%	0.62	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-63.2	-5.6	180	0	0	0	0	0	116.1
26	W	40.7	Very low	36.7	Very low	196 Å²	196	146.7 Å²	146.7	74%	0.742	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-87.6	-6.2	-174.8	37.3	-60	0	0	0	113.3	P23 L24	P23-W26 VanDerWaalsContact C-NE1 3.35Å; P23-W26 PolarHBondContact O-NE1 3.39Å; L24-W26 HydrophobicContact CD2-CZ2 4.45Å; L24-W26 PolarHBondContact O-N 3.32Å
27	L	39.6	Very low	36.6	Very low	136 Å²	136	149.9 Å²	149.9	71%	0.712	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-80.9	-15.6	173	-77.6	166.3	0	0	0	113.9	L24	L24-L27 PolarHBondContact O-N 2.75Å
28	F	41.1	Very low	37	Very low	180 Å²	180	145.4 Å²	145.4	79%	0.789	77%	0.768	S	S	*	*	S	Bend	trans	-111.7	7.6	-175.5	-65.4	-74.6	0	0	0	114.8
29	H	43.3	Very low	37.1	Very low	172 Å²	172	149 Å²	149	80%	0.796	77%	0.772	S	S	*	*			trans	-131.4	86.3	176.1	-99.6	33.4	0	0	0	111.4
30	R	33	Very low	37.1	Very low	234 Å²	234	148 Å²	148	88%	0.883	77%	0.772	S	S	*	*			trans	-148.4	106.7	154.9	-127.9	-178.3	175	-162.5	-1.9	112.8
31	H	34.7	Very low	37.4	Very low	162 Å²	162	155.8 Å²	155.8	75%	0.75	78%	0.776	S	S	*	*			trans	51.7	91.9	137.9	-80	28.6	0	0	0	117.9	Q33	H31-Q33 VanDerWaalsContact C-N 3.32Å; H31-Q33 PolarHBondContact O-N 2.75Å
32	G	30.7	Very low	37.6	Very low	87 Å²	87	148.2 Å²	148.2	90%	0.897	77%	0.766	S	S	*	*			trans	-77.2	86	146.7	0	0	0	0	0	109.6
33	Q	30.8	Very low	37.1	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	77%	0.773	S	S	*	*			trans	-60	138.8	166.3	-99.9	-179.5	-36.6	0	0	110.1	H31 Q35	H31-Q33 VanDerWaalsContact C-N 3.32Å; H31-Q33 PolarHBondContact O-N 2.75Å; Q33-Q35 PolarHBondContact O-N 2.88Å
34	A	37.7	Very low	37.1	Very low	100 Å²	100	151.4 Å²	151.4	83%	0.826	78%	0.783	S	S	*	*			trans	-46.8	118.5	169.4	0	0	0	0	0	111.8
35	Q	30.8	Very low	37.2	Very low	177 Å²	177	151.5 Å²	151.5	83%	0.827	79%	0.788	S	S	*	*			trans	-113.3	105.6	155.7	-86.8	-173.5	-17.9	0	0	108.7	Q33 F37	Q33-Q35 PolarHBondContact O-N 2.88Å; Q35-F37 PolarHBondContact O-N 3.03Å
36	Q	34.6	Very low	37.4	Very low	191 Å²	191	151.5 Å²	151.5	89%	0.893	80%	0.795	S	S	*	*			trans	-70	99.4	171.8	-168.2	168.5	18.1	0	0	108.5
37	F	30.5	Very low	38.4	Very low	175 Å²	175	149.3 Å²	149.3	77%	0.768	79%	0.787	S	S	*	*			trans	-114.8	102.1	155.1	-94.3	-82.3	0	0	0	107.6	Q35 F39	Q35-F37 PolarHBondContact O-N 3.03Å; F37-F39 PolarHBondContact O-N 3.11Å
38	G	38.4	Very low	40.5	Very low	69 Å²	69	147 Å²	147	71%	0.711	79%	0.788	S	S	*	*			trans	-67.3	114	171.9	0	0	0	0	0	109.9
39	F	33.5	Very low	42.9	Very low	172 Å²	172	140.3 Å²	140.3	75%	0.754	76%	0.763	S	S	*	*			trans	-127.6	109.7	152.8	-81.5	-83.6	0	0	0	107.5	F37	F37-F39 PolarHBondContact O-N 3.11Å
40	L	34.7	Very low	45.3	Very low	158 Å²	158	132.9 Å²	132.9	83%	0.827	73%	0.73	S	S	*	*			trans	43.1	109.8	152	-58.6	169.2	0	0	0	116.6	A42	L40-A42 PolarHBondContact O-N 3.01Å
41	R	39.3	Very low	48.2	Very low	244 Å²	244	129.6 Å²	129.6	92%	0.921	73%	0.73	S	S	*	*			trans	-31.3	106.5	154.3	-82.7	174.1	163.1	158.6	-5.9	109.8	D43	R41-D43 PolarHBondContact O-N 3.14Å
42	A	37.3	Very low	51.1	Low	89 Å²	89	125.8 Å²	125.8	74%	0.736	71%	0.712	S	S	*	*			trans	-64.4	124	156.4	0	0	0	0	0	105.9	L40 T44	L40-A42 PolarHBondContact O-N 3.01Å; A42-T44 PolarHBondContact O-N 3.16Å; A42-T44 VanDerWaalsContact O-N 3.16Å
43	D	36.2	Very low	54.3	Low	152 Å²	152	122 Å²	122	81%	0.813	67%	0.672	S	S	*	*			trans	-49.4	122.6	-179.9	-77.3	-46.1	0	0	0	110.6	R41 V45	R41-D43 PolarHBondContact O-N 3.14Å; D43-V45 VanDerWaalsContact C-N 3.26Å; D43-V45 PolarHBondContact O-N 2.84Å
44	T	41.3	Very low	57.4	Low	140 Å²	140	118.3 Å²	118.3	86%	0.859	66%	0.658	S	S	*	*			trans	-67.8	83.5	171.9	47.2	0	0	0	0	109.3	A42	A42-T44 PolarHBondContact O-N 3.16Å; A42-T44 VanDerWaalsContact O-N 3.16Å
45	V	46.9	Very low	60.2	Low	105 Å²	105	115.4 Å²	115.4	64%	0.636	63%	0.631	S	S	*	*			trans	-106.7	86.4	143.5	-176	0	0	0	0	104.6	D43 W47	D43-V45 VanDerWaalsContact C-N 3.26Å; D43-V45 PolarHBondContact O-N 2.84Å; V45-W47 HydrophobicContact CG1-CZ2 4.44Å; V45-W47 PolarHBondContact O-N 3.1Å
46	G	49.5	Very low	63.2	Low	76 Å²	76	108.6 Å²	108.6	78%	0.784	60%	0.602	S	S	*	*			trans	-63.6	98.4	-172.8	0	0	0	0	0	111.3
47	W	63.1	Low	66	Low	149 Å²	149	105.5 Å²	105.5	56%	0.564	60%	0.599	S	S	*	*			trans	-99.5	98.9	159.5	-61.7	-27.2	0	0	0	106.7	V45 C49 P77 H79	V45-W47 HydrophobicContact CG1-CZ2 4.44Å; V45-W47 PolarHBondContact O-N 3.1Å; W47-C49 PolarHBondContact O-N 3.19Å; W47-P77 HydrophobicContact CB-CB 4.48Å; W47-H79 AromaticContact CD2-CE1 3.74Å; W47-H79 AromaticContact CD2-ND1 3.36Å; W47-H79 HydrophobicContact CE3-CB 3.97Å; W47-H79 AromaticContact CE3-CD2 3.83Å; W47-H79 AromaticContact CE3-CE1 3.25Å; W47-H79 AromaticContact CE3-CG 3.33Å; W47-H79 AromaticContact CE3-ND1 2.94Å; W47-H79 AromaticContact CE3-NE2 3.77Å; W47-H79 AromaticContact CG-CE1 3.95Å; W47-H79 AromaticContact CG-ND1 3.87Å; W47-H79 HydrophobicContact CH2-CB 3.8Å; W47-H79 HydrophobicContact CZ3-CB 3.43Å; W47-H79 VanDerWaalsContact CZ3-CB 3.43Å; W47-H79 AromaticContact CZ3-CD2 3.9Å; W47-H79 AromaticContact CZ3-CG 3.3Å; W47-H79 AromaticContact CZ3-ND1 3.43Å; W47-H79 WeakPolarHBondContact CZ3-ND1 3.41Å
48	A	83.1	Confident	69.1	Low	88 Å²	88	103.6 Å²	103.6	73%	0.727	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-69.6	123.5	177.3	0	0	0	0	0	109.1
49	C	91.6	Very high	71.8	Confident	39 Å²	39	104.4 Å²	104.4	26%	0.264	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-68.6	138.5	164.1	-168.1	0	0	0	0	108.2	W47 C55	W47-C49 PolarHBondContact O-N 3.19Å; C49-C55 HydrophobicContact CB-CB 3.65Å; C49-C55 WeakPolarHBondContact CB-SG 3.35Å; C49-C55 WeakPolarHBondContact SG-CB 3.45Å; C49-C55 PolarHBondContact SG-N 2.89Å; C49-C55 CovalentContact SG-SG 2.04Å; C49-C55 PolarHBondContact SG-SG 3.14Å
50	P	93.9	Very high	74.7	Confident	16 Å²	16	99.7 Å²	99.7	10%	0.104	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-57.3	139.9	171.7	-22.7	33.7	0	0	0	111.4	E52 C53 M63 P74 S75	P50-E52 HydrophobicContact CB-CG 4.17Å; P50-E52 WeakPolarHBondContact CB-OE2 3.1Å; P50-E52 PolarHBondContact O-N 3.34Å; P50-C53 HydrophobicContact CB-CB 4.36Å; P50-C53 PolarHBondContact O-N 3.14Å; P50-C53 VanDerWaalsContact O-O 3.07Å; P50-M63 HydrophobicContact CG-SD 4.03Å; P50-P74 HydrophobicContact CB-CB 4.31Å; P50-P74 HydrophobicContact CG-CB 4.28Å; P50-S75 WeakPolarHBondContact CG-O 3.36Å
51	D	93.6	Very high	77.6	Confident	165 Å²	165	94.5 Å²	94.5	88%	0.882	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.8	-177.8	-67.4	-31	0	0	0	112	C53	D51-C53 VanDerWaalsContact C-N 3.25Å; D51-C53 PolarHBondContact O-N 3.18Å
52	E	95.6	Very high	80.4	Confident	83 Å²	83	82.9 Å²	82.9	39%	0.388	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.7	176.3	66	-91.2	-149.2	0	0	114	P50 R68 L70 P74	P50-E52 HydrophobicContact CB-CG 4.17Å; P50-E52 WeakPolarHBondContact CB-OE2 3.1Å; P50-E52 PolarHBondContact O-N 3.34Å; E52-R68 VanDerWaalsContact C-NH1 3.31Å; E52-R68 WeakPolarHBondContact O-CD 3.09Å; E52-R68 PolarHBondContact O-NE 2.8Å; E52-R68 PolarHBondContact O-NH1 3.42Å; E52-L70 HydrophobicContact CB-CD2 3.97Å; E52-L70 HydrophobicContact CG-CD2 3.93Å; E52-P74 HydrophobicContact CG-CB 4.14Å; E52-P74 VanDerWaalsContact OE1-CB 3.25Å; E52-P74 WeakPolarHBondContact OE1-CB 3.32Å
53	C	97.4	Very high	83.3	Confident	7 Å²	7	78.7 Å²	78.7	5%	0.047	47%	0.466	C	S	.	.	S	Bend	trans	-130.2	163.8	-176.7	-62.2	0	0	0	0	112.6	P50 D51 M63 Y64 C65	P50-C53 HydrophobicContact CB-CB 4.36Å; P50-C53 PolarHBondContact O-N 3.14Å; P50-C53 VanDerWaalsContact O-O 3.07Å; D51-C53 VanDerWaalsContact C-N 3.25Å; D51-C53 PolarHBondContact O-N 3.18Å; C53-M63 HydrophobicContact CB-CG 3.99Å; C53-M63 HydrophobicContact CB-SD 4.38Å; C53-Y64 CarbonylContact C-O 3.09Å; C53-Y64 WeakPolarHBondContact CA-O 3.47Å; C53-Y64 WeakPolarHBondContact CB-O 3.47Å; C53-C65 HydrophobicContact CB-CB 4.17Å; C53-C65 WeakPolarHBondContact CB-SG 3.28Å; C53-C65 WeakPolarHBondContact SG-CB 3.24Å; C53-C65 CovalentContact SG-SG 2.03Å; C53-C65 PolarHBondContact SG-SG 2.9Å
54	D	97.1	Very high	86.3	Confident	90 Å²	90	74.5 Å²	74.5	48%	0.481	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-109.2	128.4	173.5	-59.5	-22	0	0	0	110.8	Y64 R68	D54-Y64 PolarHBondContact N-O 3.2Å; D54-Y64 PolarHBondContact O-N 2.73Å; D54-R68 IonicContact OD1-CZ 3.65Å; D54-R68 IonicContact OD1-NH1 3.75Å; D54-R68 IonicContact OD1-NH2 3.41Å; D54-R68 PolarHBondContact OD1-NH2 2.03Å; D54-R68 IonicContact OD2-CZ 3.77Å; D54-R68 IonicContact OD2-NH2 3.05Å; D54-R68 PolarHBondContact OD2-NH2 3.38Å
55	C	96.3	Very high	89	Confident	39 Å²	39	67.9 Å²	67.9	26%	0.264	40%	0.398	S	S	.	.			trans	-119.4	98.5	173.1	-55	0	0	0	0	109	C49	C49-C55 HydrophobicContact CB-CB 3.65Å; C49-C55 WeakPolarHBondContact CB-SG 3.35Å; C49-C55 WeakPolarHBondContact SG-CB 3.45Å; C49-C55 PolarHBondContact SG-N 2.89Å; C49-C55 CovalentContact SG-SG 2.04Å; C49-C55 PolarHBondContact SG-SG 3.14Å
56	P	94.4	Very high	91.4	Very high	34 Å²	34	66.2 Å²	66.2	22%	0.221	38%	0.384	C	S	.	.			trans	-68.9	129	-173.4	25	-32.5	0	0	0	111.7	T58 F59 Y64	P56-T58 PolarHBondContact O-N 2.9Å; P56-T58 VanDerWaalsContact O-N 3.16Å; P56-F59 HydrophobicContact CG-CB 4.2Å; P56-F59 CarbonylContact O-C 3.06Å; P56-F59 PolarHBondContact O-N 2.77Å; P56-Y64 HydrophobicContact CG-CD2 4.21Å; P56-Y64 HydrophobicContact CG-CE2 3.75Å
57	P	92.3	Very high	93.7	Very high	126 Å²	126	65.2 Å²	65.2	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.8	178.6	-24.6	33.8	0	0	0	114	F59	P57-F59 VanDerWaalsContact C-N 3.28Å
58	T	95.4	Very high	95.4	Very high	135 Å²	135	63.1 Å²	63.1	83%	0.828	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.4	177.1	51.1	0	0	0	0	112.9	P56	P56-T58 PolarHBondContact O-N 2.9Å; P56-T58 VanDerWaalsContact O-N 3.16Å
59	F	95.6	Very high	96.1	Very high	86 Å²	86	61.3 Å²	61.3	38%	0.377	36%	0.355	S	S	.	.	S	Bend	trans	-141.7	69.1	178.9	-162	-118.2	0	0	0	110.1	P56 P57 I61 A62 Y82	P56-F59 HydrophobicContact CG-CB 4.2Å; P56-F59 CarbonylContact O-C 3.06Å; P56-F59 PolarHBondContact O-N 2.77Å; P57-F59 VanDerWaalsContact C-N 3.28Å; F59-I61 HydrophobicContact CD1-CG1 4.36Å; F59-I61 HydrophobicContact CD2-CG1 4.3Å; F59-I61 HydrophobicContact CE1-CG1 4.01Å; F59-I61 HydrophobicContact CE2-CD1 3.91Å; F59-I61 HydrophobicContact CE2-CG1 3.94Å; F59-I61 HydrophobicContact CG-CG1 4.49Å; F59-I61 HydrophobicContact CZ-CD1 3.82Å; F59-I61 HydrophobicContact CZ-CG1 3.78Å; F59-I61 PolarHBondContact O-N 3.08Å; F59-A62 HydrophobicContact CD1-CB 3.44Å; F59-A62 VanDerWaalsContact CD1-CB 3.44Å; F59-A62 HydrophobicContact CE1-CB 3.74Å; F59-A62 PolarHBondContact O-N 2.75Å; F59-Y82 AromaticContact CE1-CD2 3.65Å; F59-Y82 HydrophobicContact CE1-CD2 3.65Å; F59-Y82 AromaticContact CE1-CE2 3.94Å; F59-Y82 HydrophobicContact CE1-CE2 3.94Å; F59-Y82 AromaticContact CZ-CD2 3.88Å; F59-Y82 HydrophobicContact CZ-CD2 3.88Å; F59-Y82 AromaticContact CZ-CE2 3.65Å; F59-Y82 HydrophobicContact CZ-CE2 3.65Å
60	P	93.8	Very high	96.4	Very high	72 Å²	72	60.6 Å²	60.6	47%	0.468	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-0.5	-165.8	30.3	-37.4	0	0	0	114	H79	P60-H79 PolarHBondContact O-CD2 3.47Å; P60-H79 PolarHBondContact O-NE2 3.48Å
61	I	96.3	Very high	96.6	Very high	50 Å²	50	64.6 Å²	64.6	26%	0.256	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6.2	178.4	59	173.9	0	0	0	112.7	F59 K81 Y82	F59-I61 HydrophobicContact CD1-CG1 4.36Å; F59-I61 HydrophobicContact CD2-CG1 4.3Å; F59-I61 HydrophobicContact CE1-CG1 4.01Å; F59-I61 HydrophobicContact CE2-CD1 3.91Å; F59-I61 HydrophobicContact CE2-CG1 3.94Å; F59-I61 HydrophobicContact CG-CG1 4.49Å; F59-I61 HydrophobicContact CZ-CD1 3.82Å; F59-I61 HydrophobicContact CZ-CG1 3.78Å; F59-I61 PolarHBondContact O-N 3.08Å; I61-K81 HydrophobicContact CB-CB 4.35Å; I61-K81 HydrophobicContact CB-CG 4.22Å; I61-K81 HydrophobicContact CD1-CD 4.29Å; I61-K81 PolarHBondContact O-N 3.26Å; I61-Y82 HydrophobicContact CD1-CD2 4.29Å; I61-Y82 HydrophobicContact CD1-CE2 3.71Å; I61-Y82 HydrophobicContact CG1-CD2 4.18Å; I61-Y82 HydrophobicContact CG1-CE2 4.11Å; I61-Y82 PolarHBondContact O-N 3.07Å; I61-Y82 VanDerWaalsContact O-N 3.11Å
62	A	97.9	Very high	96.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.1	174.4	0	0	0	0	0	111.7	F59 Y64 Y82	F59-A62 HydrophobicContact CD1-CB 3.44Å; F59-A62 VanDerWaalsContact CD1-CB 3.44Å; F59-A62 HydrophobicContact CE1-CB 3.74Å; F59-A62 PolarHBondContact O-N 2.75Å; A62-Y64 HydrophobicContact CB-CD2 4.46Å; A62-Y64 HydrophobicContact CB-CE2 3.65Å; A62-Y82 VanDerWaalsContact CA-O 3.32Å; A62-Y82 WeakPolarHBondContact CA-O 3.49Å
63	M	97.8	Very high	96.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.4	174.9	-175	168.8	83.1	0	0	109.6	P50 C53 P74 I76 I80 Y82 L83 Y84	P50-M63 HydrophobicContact CG-SD 4.03Å; C53-M63 HydrophobicContact CB-CG 3.99Å; C53-M63 HydrophobicContact CB-SD 4.38Å; M63-P74 HydrophobicContact CE-CG 4.12Å; M63-I76 HydrophobicContact CE-CB 4.24Å; M63-I76 HydrophobicContact CE-CG1 3.66Å; M63-I76 HydrophobicContact CE-CG2 4.26Å; M63-I80 HydrophobicContact CB-CD1 4.03Å; M63-I80 HydrophobicContact CB-CG1 4.2Å; M63-I80 HydrophobicContact CB-CG2 4.03Å; M63-Y82 PolarHBondContact N-O 3.09Å; M63-L83 HydrophobicContact CB-CD1 4.17Å; M63-L83 HydrophobicContact CE-CD1 3.34Å; M63-L83 HydrophobicContact CG-CD1 4.36Å; M63-Y84 PolarHBondContact O-N 3.23Å
64	Y	98.6	Very high	96.8	Very high	65 Å²	65	56.9 Å²	56.9	26%	0.255	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.6	-175.1	-62.1	-89.5	0	0	0	110.2	C53 D54 P56 A62 E66 Y84	C53-Y64 CarbonylContact C-O 3.09Å; C53-Y64 WeakPolarHBondContact CA-O 3.47Å; C53-Y64 WeakPolarHBondContact CB-O 3.47Å; D54-Y64 PolarHBondContact N-O 3.2Å; D54-Y64 PolarHBondContact O-N 2.73Å; P56-Y64 HydrophobicContact CG-CD2 4.21Å; P56-Y64 HydrophobicContact CG-CE2 3.75Å; A62-Y64 HydrophobicContact CB-CD2 4.46Å; A62-Y64 HydrophobicContact CB-CE2 3.65Å; Y64-E66 WeakPolarHBondContact CA-OE2 3.47Å; Y64-E66 WeakPolarHBondContact CB-OE2 3.45Å; Y64-Y84 AromaticContact CD1-CD2 3.53Å; Y64-Y84 HydrophobicContact CD1-CD2 3.53Å; Y64-Y84 HydrophobicContact CD1-CE2 4.03Å; Y64-Y84 AromaticContact CD1-CG 3.95Å; Y64-Y84 HydrophobicContact CD1-CG 3.95Å; Y64-Y84 AromaticContact CE1-CD2 3.48Å; Y64-Y84 HydrophobicContact CE1-CD2 3.48Å; Y64-Y84 VanDerWaalsContact CE1-CD2 3.48Å; Y64-Y84 AromaticContact CE1-CE2 3.45Å; Y64-Y84 HydrophobicContact CE1-CE2 3.45Å; Y64-Y84 VanDerWaalsContact CE1-CE2 3.45Å; Y64-Y84 HydrophobicContact CE1-CG 4.13Å; Y64-Y84 HydrophobicContact CG-CD2 4.21Å; Y64-Y84 AromaticContact CZ-CE2 3.83Å
65	C	98.4	Very high	96.7	Very high	0 Å²	0	57 Å²	57	0%	0	35%	0.351	C	S	.	.			trans	-133.3	13.2	-177.2	-52.7	0	0	0	0	111.3	C53 L70 Y84 L85 N88	C53-C65 HydrophobicContact CB-CB 4.17Å; C53-C65 WeakPolarHBondContact CB-SG 3.28Å; C53-C65 WeakPolarHBondContact SG-CB 3.24Å; C53-C65 CovalentContact SG-SG 2.03Å; C53-C65 PolarHBondContact SG-SG 2.9Å; C65-L70 HydrophobicContact CB-CD1 3.72Å; C65-Y84 CarbonylContact C-O 3.13Å; C65-Y84 WeakPolarHBondContact CA-O 3.34Å; C65-Y84 VanDerWaalsContact CB-O 3.29Å; C65-Y84 WeakPolarHBondContact CB-O 3.34Å; C65-Y84 PolarHBondContact N-O 2.93Å; C65-L85 HydrophobicContact CB-CD2 3.58Å; C65-L85 HydrophobicContact CB-CG 4.47Å; C65-N88 PolarHBondContact O-ND2 3.48Å
66	E	98.4	Very high	96.7	Very high	71 Å²	71	55.5 Å²	55.5	33%	0.332	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	142.9	-173.9	68.9	-78.6	-173.8	0	0	113.3	Y64 R68 Y84 Q86	Y64-E66 WeakPolarHBondContact CA-OE2 3.47Å; Y64-E66 WeakPolarHBondContact CB-OE2 3.45Å; E66-R68 VanDerWaalsContact C-N 3.3Å; E66-R68 WeakPolarHBondContact O-CG 3.01Å; E66-R68 PolarHBondContact O-N 2.77Å; E66-Y84 PolarHBondContact N-O 3.41Å; E66-Y84 WeakPolarHBondContact OE2-CB 3.39Å; E66-Q86 WeakPolarHBondContact CA-O 3.45Å; E66-Q86 HydrophobicContact CB-CG 3.92Å; E66-Q86 WeakPolarHBondContact CB-O 3.21Å
67	G	98.1	Very high	96.6	Very high	54 Å²	54	54.7 Å²	54.7	56%	0.557	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	18.6	171.4	0	0	0	0	0	115.3	Q86 N87	G67-Q86 PolarHBondContact N-O 3.31Å; G67-Q86 VanDerWaalsContact N-O 3.12Å; G67-N87 WeakPolarHBondContact CA-O 3.44Å; G67-N87 PolarHBondContact N-O 3.21Å
68	R	97.8	Very high	96.7	Very high	105 Å²	105	51.2 Å²	51.2	40%	0.396	31%	0.314	S	S	.	.	S	Bend	trans	-103.5	3.1	-171.7	-64.3	-173.2	172.6	-133.6	-6.5	114.4	E52 D54 E66 L70 N88	E52-R68 VanDerWaalsContact C-NH1 3.31Å; E52-R68 WeakPolarHBondContact O-CD 3.09Å; E52-R68 PolarHBondContact O-NE 2.8Å; E52-R68 PolarHBondContact O-NH1 3.42Å; D54-R68 IonicContact OD1-CZ 3.65Å; D54-R68 IonicContact OD1-NH1 3.75Å; D54-R68 IonicContact OD1-NH2 3.41Å; D54-R68 PolarHBondContact OD1-NH2 2.03Å; D54-R68 IonicContact OD2-CZ 3.77Å; D54-R68 IonicContact OD2-NH2 3.05Å; D54-R68 PolarHBondContact OD2-NH2 3.38Å; E66-R68 VanDerWaalsContact C-N 3.3Å; E66-R68 WeakPolarHBondContact O-CG 3.01Å; E66-R68 PolarHBondContact O-N 2.77Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 HydrophobicContact CB-CD2 4.32Å; R68-L70 HydrophobicContact CB-CG 4.17Å; R68-L70 PolarHBondContact O-N 3.09Å; R68-N88 PolarHBondContact N-OD1 3.22Å
69	G	97.8	Very high	96.5	Very high	51 Å²	51	46.6 Å²	46.6	53%	0.526	28%	0.283	S	S	.	.			trans	69.1	25.6	-178.1	0	0	0	0	0	113.3	T71 N88	G69-T71 PolarHBondContact O-N 2.77Å; G69-N88 PolarHBondContact N-OD1 3.35Å
70	L	98.3	Very high	96.6	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.12	27%	0.265	C	S	.	.			trans	-61.9	135.2	177.9	-59.3	-175.3	0	0	0	110.4	E52 C65 R68 P74 L85 N88 A89 I90	E52-L70 HydrophobicContact CB-CD2 3.97Å; E52-L70 HydrophobicContact CG-CD2 3.93Å; C65-L70 HydrophobicContact CB-CD1 3.72Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 HydrophobicContact CB-CD2 4.32Å; R68-L70 HydrophobicContact CB-CG 4.17Å; R68-L70 PolarHBondContact O-N 3.09Å; L70-P74 HydrophobicContact CD1-CG 4.36Å; L70-L85 HydrophobicContact CD1-CD2 3.99Å; L70-N88 HydrophobicContact CB-CB 4.15Å; L70-N88 PolarHBondContact N-OD1 2.93Å; L70-A89 CarbonylContact O-C 3.58Å; L70-A89 VanDerWaalsContact O-CA 3.3Å; L70-A89 WeakPolarHBondContact O-CA 3.44Å; L70-A89 PolarHBondContact O-N 2.66Å; L70-I90 HydrophobicContact CB-CD1 4.48Å; L70-I90 HydrophobicContact CB-CG1 4.21Å; L70-I90 WeakPolarHBondContact O-CG1 3.17Å; L70-I90 PolarHBondContact O-N 3.16Å; L70-I90 VanDerWaalsContact O-N 3.1Å
71	T	97.8	Very high	96.8	Very high	101 Å²	101	43.2 Å²	43.2	62%	0.62	26%	0.261	S	S	*	.	S	Bend	trans	-101.6	-11.8	178.1	55.7	0	0	0	0	112.9	G69 A89	G69-T71 PolarHBondContact O-N 2.77Å; T71-A89 HydrophobicContact CG2-CB 4.42Å
72	A	97.6	Very high	96.9	Very high	59 Å²	59	43.2 Å²	43.2	49%	0.488	26%	0.258	S	S	.	.	S	Bend	trans	-143	159.1	178.5	0	0	0	0	0	110.3
73	V	97.8	Very high	97	Very high	23 Å²	23	43.2 Å²	43.2	14%	0.139	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-66.8	125.5	172.2	179.2	0	0	0	0	109	I76 L85 I90 V93 A97 L98	V73-I76 HydrophobicContact CG1-CD1 3.76Å; V73-L85 HydrophobicContact CG1-CD1 4.11Å; V73-L85 HydrophobicContact CG2-CD1 4.48Å; V73-I90 HydrophobicContact CG2-CD1 4.49Å; V73-I90 HydrophobicContact CG2-CG2 4.04Å; V73-V93 HydrophobicContact CG2-CG2 4.18Å; V73-A97 HydrophobicContact CB-CB 4.1Å; V73-A97 HydrophobicContact CG1-CB 4.21Å; V73-L98 HydrophobicContact CG1-CD2 3.91Å
74	P	96.1	Very high	97	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.065	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-72.8	172.6	179.5	32.2	-36.3	0	0	0	111.4	P50 E52 M63 L70 I76 L85	P50-P74 HydrophobicContact CB-CB 4.31Å; P50-P74 HydrophobicContact CG-CB 4.28Å; E52-P74 HydrophobicContact CG-CB 4.14Å; E52-P74 VanDerWaalsContact OE1-CB 3.25Å; E52-P74 WeakPolarHBondContact OE1-CB 3.32Å; M63-P74 HydrophobicContact CE-CG 4.12Å; L70-P74 HydrophobicContact CD1-CG 4.36Å; P74-I76 PolarHBondContact O-N 2.78Å; P74-L85 VanDerWaalsContact CD-CD2 3.5Å; P74-L85 HydrophobicContact CG-CD2 3.95Å
75	S	94.7	Very high	97	Very high	93 Å²	93	42.2 Å²	42.2	65%	0.65	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-64.8	125.1	173.3	-176.9	0	0	0	0	110.7	P50	P50-S75 WeakPolarHBondContact CG-O 3.36Å
76	I	95.3	Very high	97	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.036	26%	0.259	C	S	.	.			trans	-105.6	119.1	-176.6	-58.8	150.1	0	0	0	110.1	M63 V73 P74 I80 L83 L98 A101	M63-I76 HydrophobicContact CE-CB 4.24Å; M63-I76 HydrophobicContact CE-CG1 3.66Å; M63-I76 HydrophobicContact CE-CG2 4.26Å; V73-I76 HydrophobicContact CG1-CD1 3.76Å; P74-I76 PolarHBondContact O-N 2.78Å; I76-I80 HydrophobicContact CG2-CB 4.12Å; I76-I80 HydrophobicContact CG2-CG1 4.38Å; I76-I80 HydrophobicContact CG2-CG2 4.49Å; I76-L83 HydrophobicContact CD1-CD2 3.42Å; I76-L83 VanDerWaalsContact CD1-CD2 3.42Å; I76-L83 HydrophobicContact CG1-CD2 3.73Å; I76-L83 HydrophobicContact CG2-CD2 4.29Å; I76-L98 HydrophobicContact CD1-CD2 3.18Å; I76-A101 HydrophobicContact CB-CB 4.09Å; I76-A101 HydrophobicContact CD1-CB 4.29Å; I76-A101 HydrophobicContact CG2-CB 3.63Å
77	P	93.4	Very high	97.1	Very high	17 Å²	17	44.1 Å²	44.1	11%	0.11	27%	0.266	C	S	.	.			trans	-61.7	141.6	171.7	-22.3	33.2	0	0	0	112.2	W47 H79 I80	W47-P77 HydrophobicContact CB-CB 4.48Å; P77-H79 WeakPolarHBondContact CB-CE1 3.46Å; P77-H79 WeakPolarHBondContact CB-ND1 3.44Å; P77-H79 PolarHBondContact O-N 2.98Å; P77-H79 VanDerWaalsContact O-N 3.11Å; P77-I80 HydrophobicContact CB-CG1 4.07Å; P77-I80 HydrophobicContact CG-CG1 4.29Å; P77-I80 WeakPolarHBondContact O-CB 3.45Å; P77-I80 WeakPolarHBondContact O-CG1 3.27Å; P77-I80 PolarHBondContact O-N 2.98Å; P77-I80 VanDerWaalsContact O-N 3.15Å
78	S	92.9	Very high	97.1	Very high	53 Å²	53	42.3 Å²	42.3	37%	0.371	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.6	-169.9	57.3	0	0	0	0	116.1	N100 S103	S78-N100 WeakPolarHBondContact CA-O 3.25Å; S78-N100 WeakPolarHBondContact CB-O 3.47Å; S78-S103 VanDerWaalsContact O-CB 3.3Å; S78-S103 WeakPolarHBondContact O-CB 3.48Å; S78-S103 PolarHBondContact O-OG 3.03Å
79	H	93.1	Very high	97.1	Very high	39 Å²	39	38.6 Å²	38.6	18%	0.181	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.9	179.7	65.7	-81.5	0	0	0	113.3	W47 P60 P77 K81	W47-H79 AromaticContact CD2-CE1 3.74Å; W47-H79 AromaticContact CD2-ND1 3.36Å; W47-H79 HydrophobicContact CE3-CB 3.97Å; W47-H79 AromaticContact CE3-CD2 3.83Å; W47-H79 AromaticContact CE3-CE1 3.25Å; W47-H79 AromaticContact CE3-CG 3.33Å; W47-H79 AromaticContact CE3-ND1 2.94Å; W47-H79 AromaticContact CE3-NE2 3.77Å; W47-H79 AromaticContact CG-CE1 3.95Å; W47-H79 AromaticContact CG-ND1 3.87Å; W47-H79 HydrophobicContact CH2-CB 3.8Å; W47-H79 HydrophobicContact CZ3-CB 3.43Å; W47-H79 VanDerWaalsContact CZ3-CB 3.43Å; W47-H79 AromaticContact CZ3-CD2 3.9Å; W47-H79 AromaticContact CZ3-CG 3.3Å; W47-H79 AromaticContact CZ3-ND1 3.43Å; W47-H79 WeakPolarHBondContact CZ3-ND1 3.41Å; P60-H79 PolarHBondContact O-CD2 3.47Å; P60-H79 PolarHBondContact O-NE2 3.48Å; P77-H79 WeakPolarHBondContact CB-CE1 3.46Å; P77-H79 WeakPolarHBondContact CB-ND1 3.44Å; P77-H79 PolarHBondContact O-N 2.98Å; P77-H79 VanDerWaalsContact O-N 3.11Å; H79-K81 PolarHBondContact O-N 2.96Å
80	I	97.1	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.			trans	-65.4	130.6	180	-61.3	-57.1	0	0	0	109.6	M63 I76 P77 Y82 L83 S103 L104	M63-I80 HydrophobicContact CB-CD1 4.03Å; M63-I80 HydrophobicContact CB-CG1 4.2Å; M63-I80 HydrophobicContact CB-CG2 4.03Å; I76-I80 HydrophobicContact CG2-CB 4.12Å; I76-I80 HydrophobicContact CG2-CG1 4.38Å; I76-I80 HydrophobicContact CG2-CG2 4.49Å; P77-I80 HydrophobicContact CB-CG1 4.07Å; P77-I80 HydrophobicContact CG-CG1 4.29Å; P77-I80 WeakPolarHBondContact O-CB 3.45Å; P77-I80 WeakPolarHBondContact O-CG1 3.27Å; P77-I80 PolarHBondContact O-N 2.98Å; P77-I80 VanDerWaalsContact O-N 3.15Å; I80-Y82 WeakPolarHBondContact CG2-O 3.49Å; I80-L83 HydrophobicContact CG2-CB 4.4Å; I80-S103 CarbonylContact O-C 3.16Å; I80-L104 HydrophobicContact CG2-CD2 4.04Å
81	K	98.3	Very high	97.2	Very high	86 Å²	86	37.8 Å²	37.8	37%	0.374	22%	0.223	S	C	.	.			trans	-107.3	-30.7	176.1	-62.5	-161.8	177.4	-176.7	0	112.6	I61 H79 S103 V105 W106	I61-K81 HydrophobicContact CB-CB 4.35Å; I61-K81 HydrophobicContact CB-CG 4.22Å; I61-K81 HydrophobicContact CD1-CD 4.29Å; I61-K81 PolarHBondContact O-N 3.26Å; H79-K81 PolarHBondContact O-N 2.96Å; K81-S103 WeakPolarHBondContact CG-O 3.44Å; K81-V105 HydrophobicContact CB-CG2 4.14Å; K81-V105 HydrophobicContact CD-CG2 4.26Å; K81-V105 HydrophobicContact CG-CG2 4.48Å; K81-V105 PolarHBondContact O-N 3.02Å; K81-W106 PolarHBondContact O-N 3.22Å
82	Y	98.7	Very high	97.2	Very high	51 Å²	51	34.6 Å²	34.6	20%	0.2	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.3	-176.1	-50.3	-74.2	0	0	0	109.5	F59 I61 A62 M63 I80 V105 W106	F59-Y82 AromaticContact CE1-CD2 3.65Å; F59-Y82 HydrophobicContact CE1-CD2 3.65Å; F59-Y82 AromaticContact CE1-CE2 3.94Å; F59-Y82 HydrophobicContact CE1-CE2 3.94Å; F59-Y82 AromaticContact CZ-CD2 3.88Å; F59-Y82 HydrophobicContact CZ-CD2 3.88Å; F59-Y82 AromaticContact CZ-CE2 3.65Å; F59-Y82 HydrophobicContact CZ-CE2 3.65Å; I61-Y82 HydrophobicContact CD1-CD2 4.29Å; I61-Y82 HydrophobicContact CD1-CE2 3.71Å; I61-Y82 HydrophobicContact CG1-CD2 4.18Å; I61-Y82 HydrophobicContact CG1-CE2 4.11Å; I61-Y82 PolarHBondContact O-N 3.07Å; I61-Y82 VanDerWaalsContact O-N 3.11Å; A62-Y82 VanDerWaalsContact CA-O 3.32Å; A62-Y82 WeakPolarHBondContact CA-O 3.49Å; M63-Y82 PolarHBondContact N-O 3.09Å; I80-Y82 WeakPolarHBondContact CG2-O 3.49Å; Y82-V105 HydrophobicContact CE1-CB 4.35Å; Y82-W106 HydrophobicContact CD1-CB 3.94Å; Y82-W106 AromaticContact CD1-CD2 3.5Å; Y82-W106 HydrophobicContact CD1-CD2 3.5Å; Y82-W106 VanDerWaalsContact CD1-CD2 3.5Å; Y82-W106 AromaticContact CD1-CE2 3.94Å; Y82-W106 AromaticContact CD1-CE3 3.75Å; Y82-W106 HydrophobicContact CD1-CE3 3.75Å; Y82-W106 AromaticContact CD1-CG 3.65Å; Y82-W106 HydrophobicContact CD1-CG 3.65Å; Y82-W106 HydrophobicContact CD1-CZ2 4.46Å; Y82-W106 HydrophobicContact CD1-CZ3 4.37Å; Y82-W106 AromaticContact CE1-CD2 3.76Å; Y82-W106 HydrophobicContact CE1-CD2 3.76Å; Y82-W106 AromaticContact CE1-CE2 3.66Å; Y82-W106 HydrophobicContact CE1-CE3 4.24Å; Y82-W106 HydrophobicContact CE1-CG 4.03Å; Y82-W106 HydrophobicContact CE1-CH2 4.49Å; Y82-W106 AromaticContact CE1-CZ2 4Å; Y82-W106 HydrophobicContact CE1-CZ2 4Å; Y82-W106 AromaticContact CE1-NE1 4Å
83	L	98.6	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.4	-176.1	178	51.6	0	0	0	111	M63 I76 I80 L85 L104 W106 L107 M108	M63-L83 HydrophobicContact CB-CD1 4.17Å; M63-L83 HydrophobicContact CE-CD1 3.34Å; M63-L83 HydrophobicContact CG-CD1 4.36Å; I76-L83 HydrophobicContact CD1-CD2 3.42Å; I76-L83 VanDerWaalsContact CD1-CD2 3.42Å; I76-L83 HydrophobicContact CG1-CD2 3.73Å; I76-L83 HydrophobicContact CG2-CD2 4.29Å; I80-L83 HydrophobicContact CG2-CB 4.4Å; L83-L85 HydrophobicContact CD1-CD1 4.06Å; L83-L85 HydrophobicContact CD1-CD2 4.48Å; L83-L85 HydrophobicContact CD1-CG 3.89Å; L83-L85 HydrophobicContact CD2-CD1 3.77Å; L83-L85 HydrophobicContact CD2-CG 4.48Å; L83-L85 HydrophobicContact CG-CD1 3.79Å; L83-L85 HydrophobicContact CG-CG 3.99Å; L83-L104 HydrophobicContact CB-CD2 3.71Å; L83-L104 HydrophobicContact CD2-CD1 4.3Å; L83-L104 HydrophobicContact CD2-CD2 4.46Å; L83-W106 PolarHBondContact N-O 3.39Å; L83-L107 HydrophobicContact CB-CD1 4.14Å; L83-L107 HydrophobicContact CD2-CD1 3.77Å; L83-L107 HydrophobicContact CG-CD1 3.92Å; L83-M108 PolarHBondContact O-N 3.01Å
84	Y	98.8	Very high	97.2	Very high	43 Å²	43	34.1 Å²	34.1	17%	0.169	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	104.7	-179.6	-58.3	-88.7	0	0	0	110.4	M63 Y64 C65 E66 Q86 M108	M63-Y84 PolarHBondContact O-N 3.23Å; Y64-Y84 AromaticContact CD1-CD2 3.53Å; Y64-Y84 HydrophobicContact CD1-CD2 3.53Å; Y64-Y84 HydrophobicContact CD1-CE2 4.03Å; Y64-Y84 AromaticContact CD1-CG 3.95Å; Y64-Y84 HydrophobicContact CD1-CG 3.95Å; Y64-Y84 AromaticContact CE1-CD2 3.48Å; Y64-Y84 HydrophobicContact CE1-CD2 3.48Å; Y64-Y84 VanDerWaalsContact CE1-CD2 3.48Å; Y64-Y84 AromaticContact CE1-CE2 3.45Å; Y64-Y84 HydrophobicContact CE1-CE2 3.45Å; Y64-Y84 VanDerWaalsContact CE1-CE2 3.45Å; Y64-Y84 HydrophobicContact CE1-CG 4.13Å; Y64-Y84 HydrophobicContact CG-CD2 4.21Å; Y64-Y84 AromaticContact CZ-CE2 3.83Å; C65-Y84 CarbonylContact C-O 3.13Å; C65-Y84 WeakPolarHBondContact CA-O 3.34Å; C65-Y84 VanDerWaalsContact CB-O 3.29Å; C65-Y84 WeakPolarHBondContact CB-O 3.34Å; C65-Y84 PolarHBondContact N-O 2.93Å; E66-Y84 PolarHBondContact N-O 3.41Å; E66-Y84 WeakPolarHBondContact OE2-CB 3.39Å; Y84-Q86 VanDerWaalsContact CA-OE1 3.31Å; Y84-M108 HydrophobicContact CD1-CB 4.41Å; Y84-M108 HydrophobicContact CD1-CG 3.83Å; Y84-M108 HydrophobicContact CE1-CG 4.18Å
85	L	98.8	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.			trans	-122.1	11.2	179.7	-72.9	165.9	0	0	0	112.3	C65 L70 V73 P74 L83 N88 I90 L107 M108 L109 N112	C65-L85 HydrophobicContact CB-CD2 3.58Å; C65-L85 HydrophobicContact CB-CG 4.47Å; L70-L85 HydrophobicContact CD1-CD2 3.99Å; V73-L85 HydrophobicContact CG1-CD1 4.11Å; V73-L85 HydrophobicContact CG2-CD1 4.48Å; P74-L85 VanDerWaalsContact CD-CD2 3.5Å; P74-L85 HydrophobicContact CG-CD2 3.95Å; L83-L85 HydrophobicContact CD1-CD1 4.06Å; L83-L85 HydrophobicContact CD1-CD2 4.48Å; L83-L85 HydrophobicContact CD1-CG 3.89Å; L83-L85 HydrophobicContact CD2-CD1 3.77Å; L83-L85 HydrophobicContact CD2-CG 4.48Å; L83-L85 HydrophobicContact CG-CD1 3.79Å; L83-L85 HydrophobicContact CG-CG 3.99Å; L85-N88 PolarHBondContact O-ND2 3.21Å; L85-I90 HydrophobicContact CB-CD1 4.02Å; L85-I90 HydrophobicContact CD1-CD1 4.48Å; L85-I90 HydrophobicContact CD2-CD1 4Å; L85-I90 HydrophobicContact CG-CD1 4.4Å; L85-L107 HydrophobicContact CD1-CD1 4.39Å; L85-M108 CarbonylContact C-O 3.28Å; L85-M108 VanDerWaalsContact CA-O 3.3Å; L85-M108 WeakPolarHBondContact CA-O 3.4Å; L85-M108 WeakPolarHBondContact CB-O 3.21Å; L85-M108 PolarHBondContact N-O 2.88Å; L85-L109 HydrophobicContact CB-CD2 3.77Å; L85-L109 HydrophobicContact CD1-CD2 3.85Å; L85-L109 HydrophobicContact CG-CD2 4.48Å; L85-N112 PolarHBondContact O-ND2 3.07Å
86	Q	98.8	Very high	97.3	Very high	24 Å²	24	36.3 Å²	36.3	11%	0.112	21%	0.214	C	C	.	.			trans	-67.4	160.8	-177.7	69.2	-82.9	5.8	0	0	113.5	E66 G67 Y84 N88 M108 H110	E66-Q86 WeakPolarHBondContact CA-O 3.45Å; E66-Q86 HydrophobicContact CB-CG 3.92Å; E66-Q86 WeakPolarHBondContact CB-O 3.21Å; G67-Q86 PolarHBondContact N-O 3.31Å; G67-Q86 VanDerWaalsContact N-O 3.12Å; Y84-Q86 VanDerWaalsContact CA-OE1 3.31Å; Q86-N88 PolarHBondContact O-ND2 3.32Å; Q86-M108 PolarHBondContact N-O 2.98Å; Q86-H110 WeakPolarHBondContact CA-O 3.24Å; Q86-H110 VanDerWaalsContact CB-CE1 3.42Å; Q86-H110 WeakPolarHBondContact CB-CE1 3.49Å; Q86-H110 VanDerWaalsContact CB-NE2 3.33Å; Q86-H110 WeakPolarHBondContact CB-NE2 3.42Å; Q86-H110 VanDerWaalsContact CB-O 3.27Å; Q86-H110 WeakPolarHBondContact CB-O 3.24Å; Q86-H110 WeakPolarHBondContact CG-NE2 3.42Å
87	N	98.7	Very high	97.4	Very high	87 Å²	87	37 Å²	37	47%	0.465	22%	0.221	S	C	.	.	S	Bend	trans	57.8	47.1	178.3	-56.1	-49.4	0	0	0	112.7	G67 H110 H111	G67-N87 WeakPolarHBondContact CA-O 3.44Å; G67-N87 PolarHBondContact N-O 3.21Å; N87-H110 PolarHBondContact N-O 3.05Å; N87-H110 VanDerWaalsContact N-O 3.13Å; N87-H111 VanDerWaalsContact CA-O 3.26Å; N87-H111 WeakPolarHBondContact CA-O 3.15Å; N87-H111 PolarHBondContact N-O 3.18Å; N87-H111 VanDerWaalsContact OD1-CB 3.24Å; N87-H111 WeakPolarHBondContact OD1-CB 3.47Å
88	N	98.8	Very high	97.5	Very high	16 Å²	16	36.3 Å²	36.3	9%	0.086	22%	0.217	C	C	.	.	S	Bend	trans	-124.7	-169.5	177.1	-79.7	-59.5	0	0	0	110.2	C65 R68 G69 L70 L85 Q86 I90 H111 N112	C65-N88 PolarHBondContact O-ND2 3.48Å; R68-N88 PolarHBondContact N-OD1 3.22Å; G69-N88 PolarHBondContact N-OD1 3.35Å; L70-N88 HydrophobicContact CB-CB 4.15Å; L70-N88 PolarHBondContact N-OD1 2.93Å; L85-N88 PolarHBondContact O-ND2 3.21Å; Q86-N88 PolarHBondContact O-ND2 3.32Å; N88-I90 HydrophobicContact CB-CD1 4.3Å; N88-I90 HydrophobicContact CB-CG1 4.04Å; N88-H111 PolarHBondContact N-O 3.35Å; N88-H111 VanDerWaalsContact N-O 3.17Å; N88-N112 WeakPolarHBondContact CA-OD1 3.42Å; N88-N112 WeakPolarHBondContact CB-OD1 3.2Å; N88-N112 PolarHBondContact O-OD1 3.06Å
89	A	98.6	Very high	97.6	Very high	27 Å²	27	37 Å²	37	22%	0.223	22%	0.218	C	C	.	.			trans	-114.9	30.7	176.2	0	0	0	0	0	111.4	L70 T71 S91 N112	L70-A89 CarbonylContact O-C 3.58Å; L70-A89 VanDerWaalsContact O-CA 3.3Å; L70-A89 WeakPolarHBondContact O-CA 3.44Å; L70-A89 PolarHBondContact O-N 2.66Å; T71-A89 HydrophobicContact CG2-CB 4.42Å; A89-S91 PolarHBondContact O-N 3.42Å; A89-N112 PolarHBondContact N-OD1 3.01Å
90	I	98.7	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.236	C	C	.	.			trans	-68.9	124.3	-178	-57.9	172.5	0	0	0	108.4	L70 V73 L85 N88 A92 L109 N112 Q113 L114	L70-I90 HydrophobicContact CB-CD1 4.48Å; L70-I90 HydrophobicContact CB-CG1 4.21Å; L70-I90 WeakPolarHBondContact O-CG1 3.17Å; L70-I90 PolarHBondContact O-N 3.16Å; L70-I90 VanDerWaalsContact O-N 3.1Å; V73-I90 HydrophobicContact CG2-CD1 4.49Å; V73-I90 HydrophobicContact CG2-CG2 4.04Å; L85-I90 HydrophobicContact CB-CD1 4.02Å; L85-I90 HydrophobicContact CD1-CD1 4.48Å; L85-I90 HydrophobicContact CD2-CD1 4Å; L85-I90 HydrophobicContact CG-CD1 4.4Å; N88-I90 HydrophobicContact CB-CD1 4.3Å; N88-I90 HydrophobicContact CB-CG1 4.04Å; I90-A92 WeakPolarHBondContact CG2-O 3.35Å; I90-L109 HydrophobicContact CD1-CD2 4.29Å; I90-N112 HydrophobicContact CB-CB 4.4Å; I90-N112 VanDerWaalsContact CB-OD1 3.29Å; I90-N112 WeakPolarHBondContact CB-OD1 3.03Å; I90-N112 WeakPolarHBondContact CG1-OD1 3.07Å; I90-N112 PolarHBondContact N-OD1 3.3Å; I90-Q113 CarbonylContact O-C 3.06Å; I90-Q113 VanDerWaalsContact O-C 3.31Å; I90-Q113 WeakPolarHBondContact O-CA 3.37Å; I90-Q113 PolarHBondContact O-N 3.12Å; I90-L114 HydrophobicContact CG2-CD2 3.9Å; I90-L114 PolarHBondContact O-N 3.13Å
91	S	98	Very high	97.3	Very high	57 Å²	57	40.1 Å²	40.1	40%	0.399	24%	0.236	S	C	.	.			trans	-108.8	-12.5	-177.1	57.8	0	0	0	0	114.2	A89 Q113 A118	A89-S91 PolarHBondContact O-N 3.42Å; S91-Q113 WeakPolarHBondContact CA-O 3.21Å; S91-A118 WeakPolarHBondContact O-CB 3.26Å
92	A	98.2	Very high	97.1	Very high	34 Å²	34	39.4 Å²	39.4	28%	0.281	24%	0.239	S	C	.	.			trans	-144.3	150.2	-176.3	0	0	0	0	0	112.9	I90 A118	I90-A92 WeakPolarHBondContact CG2-O 3.35Å; A92-A118 WeakPolarHBondContact CA-O 3.32Å; A92-A118 HydrophobicContact CB-CB 3.81Å; A92-A118 WeakPolarHBondContact CB-O 3.46Å
93	V	98.4	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-128.6	85.4	166.4	-171.2	0	0	0	0	107.7	V73 A97 L98 L109 L114 A118 I119 G120 A123	V73-V93 HydrophobicContact CG2-CG2 4.18Å; V93-A97 HydrophobicContact CG1-CB 4.09Å; V93-L98 HydrophobicContact CG1-CD1 3.89Å; V93-L98 HydrophobicContact CG1-CG 4.06Å; V93-L109 HydrophobicContact CG2-CD1 4.33Å; V93-L114 HydrophobicContact CG2-CD1 4.28Å; V93-L114 HydrophobicContact CG2-CD2 3.74Å; V93-A118 PolarHBondContact N-O 2.73Å; V93-I119 HydrophobicContact CB-CG1 4.46Å; V93-G120 PolarHBondContact O-N 3.33Å; V93-A123 HydrophobicContact CG1-CB 3.98Å; V93-A123 WeakPolarHBondContact O-CB 3.38Å
94	P	97.7	Very high	97	Very high	73 Å²	73	39.2 Å²	39.2	47%	0.474	25%	0.245	S	C	.	.			trans	-66.9	160.6	178.4	27.7	-34.7	0	0	0	111.5	A96 A97	P94-A96 PolarHBondContact O-N 3.13Å; P94-A97 HydrophobicContact CG-CB 3.98Å; P94-A97 VanDerWaalsContact O-CB 3.26Å; P94-A97 WeakPolarHBondContact O-CB 3.28Å; P94-A97 PolarHBondContact O-N 3.06Å
95	D	97.3	Very high	97	Very high	72 Å²	72	38.5 Å²	38.5	39%	0.385	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.6	-177.2	-67.7	-33.1	0	0	0	113.7	G120 K121 E122 A123	D95-G120 WeakPolarHBondContact OD1-CA 3.23Å; D95-K121 PolarHBondContact OD1-N 3.07Å; D95-E122 HydrophobicContact CB-CB 4.29Å; D95-E122 WeakPolarHBondContact OD1-CA 3.49Å; D95-E122 PolarHBondContact OD1-N 2.68Å; D95-A123 PolarHBondContact OD1-N 3.29Å
96	A	95.9	Very high	97	Very high	76 Å²	76	41.5 Å²	41.5	63%	0.628	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.6	179.9	0	0	0	0	0	114.3	P94 L98 V99	P94-A96 PolarHBondContact O-N 3.13Å; A96-L98 PolarHBondContact O-N 2.81Å; A96-V99 WeakPolarHBondContact O-CG1 3.49Å
97	A	96.4	Very high	97	Very high	23 Å²	23	40.4 Å²	40.4	19%	0.19	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-39.7	-170.4	0	0	0	0	0	113.2	V73 V93 P94	V73-A97 HydrophobicContact CB-CB 4.1Å; V73-A97 HydrophobicContact CG1-CB 4.21Å; V93-A97 HydrophobicContact CG1-CB 4.09Å; P94-A97 HydrophobicContact CG-CB 3.98Å; P94-A97 VanDerWaalsContact O-CB 3.26Å; P94-A97 WeakPolarHBondContact O-CB 3.28Å; P94-A97 PolarHBondContact O-N 3.06Å
98	L	96.2	Very high	97	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	9.4	-174.4	-52.6	178.4	0	0	0	112.7	V73 I76 V93 A96 N100 A101 L107 F124 L127	V73-L98 HydrophobicContact CG1-CD2 3.91Å; I76-L98 HydrophobicContact CD1-CD2 3.18Å; V93-L98 HydrophobicContact CG1-CD1 3.89Å; V93-L98 HydrophobicContact CG1-CG 4.06Å; A96-L98 PolarHBondContact O-N 2.81Å; L98-N100 VanDerWaalsContact C-N 3.25Å; L98-N100 PolarHBondContact O-N 2.87Å; L98-N100 VanDerWaalsContact O-N 3.17Å; L98-A101 PolarHBondContact O-N 3.48Å; L98-L107 HydrophobicContact CD1-CD2 3.7Å; L98-F124 HydrophobicContact CD1-CD1 3.78Å; L98-F124 HydrophobicContact CD1-CE1 3.72Å; L98-L127 HydrophobicContact CB-CD1 4.5Å; L98-L127 HydrophobicContact CB-CD2 4.25Å; L98-L127 HydrophobicContact CD1-CD1 3.9Å
99	V	93.8	Very high	97	Very high	67 Å²	67	36.1 Å²	36.1	41%	0.406	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.8	-170.2	71.9	0	0	0	0	113.5	A96	A96-V99 WeakPolarHBondContact O-CG1 3.49Å
100	N	90.4	Very high	97	Very high	105 Å²	105	36.3 Å²	36.3	56%	0.561	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.2	179.9	-69.8	-28	0	0	0	113.2	S78 L98 T102	S78-N100 WeakPolarHBondContact CA-O 3.25Å; S78-N100 WeakPolarHBondContact CB-O 3.47Å; L98-N100 VanDerWaalsContact C-N 3.25Å; L98-N100 PolarHBondContact O-N 2.87Å; L98-N100 VanDerWaalsContact O-N 3.17Å; N100-T102 PolarHBondContact O-N 2.79Å
101	A	94	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.242	C	C	.	.			trans	-84.8	43.6	-171.4	0	0	0	0	0	112.3	I76 L98 S103 L104 L127	I76-A101 HydrophobicContact CB-CB 4.09Å; I76-A101 HydrophobicContact CD1-CB 4.29Å; I76-A101 HydrophobicContact CG2-CB 3.63Å; L98-A101 PolarHBondContact O-N 3.48Å; A101-S103 PolarHBondContact O-N 3.41Å; A101-S103 VanDerWaalsContact O-N 3.17Å; A101-L104 HydrophobicContact CB-CD1 3.51Å; A101-L104 HydrophobicContact CB-CG 3.79Å; A101-L104 WeakPolarHBondContact O-CB 3.18Å; A101-L104 WeakPolarHBondContact O-CG 3.33Å; A101-L104 PolarHBondContact O-N 2.83Å; A101-L127 HydrophobicContact CB-CD2 4.39Å; A101-L127 WeakPolarHBondContact O-CD2 3.47Å
102	T	94.6	Very high	97.1	Very high	70 Å²	70	38 Å²	38	43%	0.429	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16	-171.4	56.6	0	0	0	0	114.1	N100 K126	N100-T102 PolarHBondContact O-N 2.79Å; T102-K126 HydrophobicContact CG2-CB 4.39Å
103	S	96.8	Very high	97.1	Very high	47 Å²	47	42 Å²	42	33%	0.329	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.2	177.6	-54	0	0	0	0	113.9	S78 I80 K81 A101 V105	S78-S103 VanDerWaalsContact O-CB 3.3Å; S78-S103 WeakPolarHBondContact O-CB 3.48Å; S78-S103 PolarHBondContact O-OG 3.03Å; I80-S103 CarbonylContact O-C 3.16Å; K81-S103 WeakPolarHBondContact CG-O 3.44Å; A101-S103 PolarHBondContact O-N 3.41Å; A101-S103 VanDerWaalsContact O-N 3.17Å; S103-V105 PolarHBondContact O-N 3.29Å
104	L	98.4	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.			trans	-60.4	134.1	-176.3	-77.5	177.2	0	0	0	112.1	I80 L83 A101 L127 G129 L130	I80-L104 HydrophobicContact CG2-CD2 4.04Å; L83-L104 HydrophobicContact CB-CD2 3.71Å; L83-L104 HydrophobicContact CD2-CD1 4.3Å; L83-L104 HydrophobicContact CD2-CD2 4.46Å; A101-L104 HydrophobicContact CB-CD1 3.51Å; A101-L104 HydrophobicContact CB-CG 3.79Å; A101-L104 WeakPolarHBondContact O-CB 3.18Å; A101-L104 WeakPolarHBondContact O-CG 3.33Å; A101-L104 PolarHBondContact O-N 2.83Å; L104-L127 HydrophobicContact CB-CD2 4.42Å; L104-L127 HydrophobicContact CD1-CD1 4.41Å; L104-L127 HydrophobicContact CD1-CD2 4.05Å; L104-G129 CarbonylContact O-C 3.55Å; L104-L130 HydrophobicContact CB-CD1 4.02Å; L104-L130 WeakPolarHBondContact O-CA 3.35Å; L104-L130 PolarHBondContact O-N 2.92Å
105	V	98.8	Very high	97.1	Very high	28 Å²	28	41 Å²	41	17%	0.17	23%	0.232	C	C	.	.	S	Bend	trans	-112.1	-43.5	173.6	-175.7	0	0	0	0	109.2	K81 Y82 S103 L130 E131 R132	K81-V105 HydrophobicContact CB-CG2 4.14Å; K81-V105 HydrophobicContact CD-CG2 4.26Å; K81-V105 HydrophobicContact CG-CG2 4.48Å; K81-V105 PolarHBondContact O-N 3.02Å; Y82-V105 HydrophobicContact CE1-CB 4.35Å; S103-V105 PolarHBondContact O-N 3.29Å; V105-L130 WeakPolarHBondContact O-CD1 3.41Å; V105-E131 HydrophobicContact CG1-CB 4.09Å; V105-E131 HydrophobicContact CG1-CG 3.98Å; V105-E131 PolarHBondContact O-N 3.43Å; V105-R132 PolarHBondContact O-N 3.25Å; V105-R132 VanDerWaalsContact O-N 3.07Å
106	W	98.9	Very high	97.1	Very high	64 Å²	64	38.4 Å²	38.4	24%	0.242	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134	176.1	-58.7	-5.8	0	0	0	111.4	K81 Y82 L83 M108 R132	K81-W106 PolarHBondContact O-N 3.22Å; Y82-W106 HydrophobicContact CD1-CB 3.94Å; Y82-W106 AromaticContact CD1-CD2 3.5Å; Y82-W106 HydrophobicContact CD1-CD2 3.5Å; Y82-W106 VanDerWaalsContact CD1-CD2 3.5Å; Y82-W106 AromaticContact CD1-CE2 3.94Å; Y82-W106 AromaticContact CD1-CE3 3.75Å; Y82-W106 HydrophobicContact CD1-CE3 3.75Å; Y82-W106 AromaticContact CD1-CG 3.65Å; Y82-W106 HydrophobicContact CD1-CG 3.65Å; Y82-W106 HydrophobicContact CD1-CZ2 4.46Å; Y82-W106 HydrophobicContact CD1-CZ3 4.37Å; Y82-W106 AromaticContact CE1-CD2 3.76Å; Y82-W106 HydrophobicContact CE1-CD2 3.76Å; Y82-W106 AromaticContact CE1-CE2 3.66Å; Y82-W106 HydrophobicContact CE1-CE3 4.24Å; Y82-W106 HydrophobicContact CE1-CG 4.03Å; Y82-W106 HydrophobicContact CE1-CH2 4.49Å; Y82-W106 AromaticContact CE1-CZ2 4Å; Y82-W106 HydrophobicContact CE1-CZ2 4Å; Y82-W106 AromaticContact CE1-NE1 4Å; L83-W106 PolarHBondContact N-O 3.39Å; W106-M108 HydrophobicContact CB-CE 3.83Å; W106-M108 HydrophobicContact CD2-CE 4.27Å; W106-M108 HydrophobicContact CE3-CE 4Å; W106-M108 HydrophobicContact CG-CE 4.2Å; W106-R132 HydrophobicContact CB-CB 4.5Å; W106-R132 HydrophobicContact CG-CB 4.21Å; W106-R132 HydrophobicContact CG-CG 4.44Å
107	L	98.8	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	113.9	173.6	178.5	54.7	0	0	0	110.2	L83 L85 L98 L109 F124 L127 L130 R132 L133 F134	L83-L107 HydrophobicContact CB-CD1 4.14Å; L83-L107 HydrophobicContact CD2-CD1 3.77Å; L83-L107 HydrophobicContact CG-CD1 3.92Å; L85-L107 HydrophobicContact CD1-CD1 4.39Å; L98-L107 HydrophobicContact CD1-CD2 3.7Å; L107-L109 HydrophobicContact CD1-CD1 4.02Å; L107-L109 HydrophobicContact CD1-CG 3.99Å; L107-L109 HydrophobicContact CD2-CD1 3.81Å; L107-L109 HydrophobicContact CG-CD1 3.8Å; L107-L109 HydrophobicContact CG-CG 4.09Å; L107-F124 HydrophobicContact CD2-CD1 4.26Å; L107-F124 HydrophobicContact CD2-CE1 3.85Å; L107-L127 HydrophobicContact CD2-CD1 4.26Å; L107-L130 HydrophobicContact CB-CD1 3.84Å; L107-R132 PolarHBondContact N-O 2.96Å; L107-L133 HydrophobicContact CB-CD1 4.05Å; L107-L133 HydrophobicContact CD2-CD1 3.86Å; L107-L133 HydrophobicContact CG-CD1 3.93Å; L107-F134 PolarHBondContact O-N 2.95Å
108	M	98.8	Very high	97.2	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.064	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	105.2	-178.3	-53.7	-70.5	155.6	0	0	109.7	L83 Y84 L85 Q86 W106 F134	L83-M108 PolarHBondContact O-N 3.01Å; Y84-M108 HydrophobicContact CD1-CB 4.41Å; Y84-M108 HydrophobicContact CD1-CG 3.83Å; Y84-M108 HydrophobicContact CE1-CG 4.18Å; L85-M108 CarbonylContact C-O 3.28Å; L85-M108 VanDerWaalsContact CA-O 3.3Å; L85-M108 WeakPolarHBondContact CA-O 3.4Å; L85-M108 WeakPolarHBondContact CB-O 3.21Å; L85-M108 PolarHBondContact N-O 2.88Å; Q86-M108 PolarHBondContact N-O 2.98Å; W106-M108 HydrophobicContact CB-CE 3.83Å; W106-M108 HydrophobicContact CD2-CE 4.27Å; W106-M108 HydrophobicContact CE3-CE 4Å; W106-M108 HydrophobicContact CG-CE 4.2Å; M108-F134 HydrophobicContact CE-CD2 3.91Å; M108-F134 HydrophobicContact CE-CE2 3.82Å; M108-F134 HydrophobicContact CE-CG 4.39Å; M108-F134 HydrophobicContact CE-CZ 4.24Å; M108-F134 HydrophobicContact SD-CB 4.04Å; M108-F134 HydrophobicContact SD-CD2 3.14Å; M108-F134 WeakPolarHBondContact SD-CD2 3.47Å; M108-F134 HydrophobicContact SD-CE2 3.61Å; M108-F134 HydrophobicContact SD-CG 3.71Å; M108-F134 HydrophobicContact SD-CZ 4.5Å
109	L	98.8	Very high	97.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.235	C	C	.	.			trans	-122	13.1	-179.2	-79	166.6	0	0	0	112.4	L85 I90 V93 L107 N112 L114 F124 F134 L135 N138	L85-L109 HydrophobicContact CB-CD2 3.77Å; L85-L109 HydrophobicContact CD1-CD2 3.85Å; L85-L109 HydrophobicContact CG-CD2 4.48Å; I90-L109 HydrophobicContact CD1-CD2 4.29Å; V93-L109 HydrophobicContact CG2-CD1 4.33Å; L107-L109 HydrophobicContact CD1-CD1 4.02Å; L107-L109 HydrophobicContact CD1-CG 3.99Å; L107-L109 HydrophobicContact CD2-CD1 3.81Å; L107-L109 HydrophobicContact CG-CD1 3.8Å; L107-L109 HydrophobicContact CG-CG 4.09Å; L109-N112 PolarHBondContact O-ND2 3.17Å; L109-L114 HydrophobicContact CB-CD1 4.17Å; L109-L114 HydrophobicContact CD1-CD1 4.38Å; L109-F124 HydrophobicContact CD1-CE1 4.5Å; L109-F134 CarbonylContact C-O 3.11Å; L109-F134 WeakPolarHBondContact CA-O 3.25Å; L109-F134 PolarHBondContact N-O 3.03Å; L109-L135 HydrophobicContact CB-CD2 3.8Å; L109-L135 HydrophobicContact CD1-CD2 4.02Å; L109-N138 PolarHBondContact O-ND2 2.83Å
110	H	98.9	Very high	97.5	Very high	30 Å²	30	40.6 Å²	40.6	14%	0.139	22%	0.223	C	C	.	.			trans	-68.1	156.5	-179.3	54.4	-82.3	0	0	0	113	Q86 N87 N112 F134 H136	Q86-H110 WeakPolarHBondContact CA-O 3.24Å; Q86-H110 VanDerWaalsContact CB-CE1 3.42Å; Q86-H110 WeakPolarHBondContact CB-CE1 3.49Å; Q86-H110 VanDerWaalsContact CB-NE2 3.33Å; Q86-H110 WeakPolarHBondContact CB-NE2 3.42Å; Q86-H110 VanDerWaalsContact CB-O 3.27Å; Q86-H110 WeakPolarHBondContact CB-O 3.24Å; Q86-H110 WeakPolarHBondContact CG-NE2 3.42Å; N87-H110 PolarHBondContact N-O 3.05Å; N87-H110 VanDerWaalsContact N-O 3.13Å; H110-N112 PolarHBondContact O-ND2 3.38Å; H110-F134 PolarHBondContact N-O 3.1Å; H110-H136 CarbonylContact C-O 3.5Å; H110-H136 WeakPolarHBondContact CA-O 3.37Å; H110-H136 WeakPolarHBondContact CB-CD2 3.42Å; H110-H136 WeakPolarHBondContact CB-NE2 3.37Å; H110-H136 WeakPolarHBondContact CB-O 3.49Å; H110-H136 AromaticContact CD2-NE2 3.39Å; H110-H136 PolarHBondContact CD2-NE2 2.81Å; H110-H136 AromaticContact CG-CD2 3.83Å; H110-H136 AromaticContact CG-CE1 3.64Å; H110-H136 AromaticContact CG-NE2 3.22Å; H110-H136 AromaticContact ND1-CE1 3.89Å; H110-H136 AromaticContact ND1-NE2 3.85Å
111	H	98.8	Very high	97.8	Very high	81 Å²	81	43 Å²	43	38%	0.375	23%	0.228	S	C	.	.	S	Bend	trans	53.7	59.5	-175.2	-66	-101.9	0	0	0	111.8	N87 N88 H136 H137	N87-H111 VanDerWaalsContact CA-O 3.26Å; N87-H111 WeakPolarHBondContact CA-O 3.15Å; N87-H111 PolarHBondContact N-O 3.18Å; N87-H111 VanDerWaalsContact OD1-CB 3.24Å; N87-H111 WeakPolarHBondContact OD1-CB 3.47Å; N88-H111 PolarHBondContact N-O 3.35Å; N88-H111 VanDerWaalsContact N-O 3.17Å; H111-H136 PolarHBondContact N-O 3.38Å; H111-H136 VanDerWaalsContact N-O 3.08Å; H111-H137 VanDerWaalsContact CA-O 3.22Å; H111-H137 WeakPolarHBondContact CA-O 3.44Å; H111-H137 HydrophobicContact CB-CB 4.5Å; H111-H137 AromaticContact CD2-CG 3.98Å; H111-H137 AromaticContact CE1-CD2 3.77Å; H111-H137 AromaticContact CE1-CG 3.51Å; H111-H137 AromaticContact CE1-ND1 3.7Å; H111-H137 PolarHBondContact N-O 2.93Å; H111-H137 AromaticContact NE2-CD2 3.39Å; H111-H137 PolarHBondContact NE2-CD2 3.3Å; H111-H137 AromaticContact NE2-CG 3.5Å; H111-H137 AromaticContact NE2-NE2 3.89Å
112	N	98.9	Very high	97.9	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.07	25%	0.254	C	S	.	.	S	Bend	trans	-132.1	-165.9	173.7	-87.2	-73.7	0	0	0	109.1	L85 N88 A89 I90 L109 H110 L114 H137 N138	L85-N112 PolarHBondContact O-ND2 3.07Å; N88-N112 WeakPolarHBondContact CA-OD1 3.42Å; N88-N112 WeakPolarHBondContact CB-OD1 3.2Å; N88-N112 PolarHBondContact O-OD1 3.06Å; A89-N112 PolarHBondContact N-OD1 3.01Å; I90-N112 HydrophobicContact CB-CB 4.4Å; I90-N112 VanDerWaalsContact CB-OD1 3.29Å; I90-N112 WeakPolarHBondContact CB-OD1 3.03Å; I90-N112 WeakPolarHBondContact CG1-OD1 3.07Å; I90-N112 PolarHBondContact N-OD1 3.3Å; L109-N112 PolarHBondContact O-ND2 3.17Å; H110-N112 PolarHBondContact O-ND2 3.38Å; N112-L114 HydrophobicContact CB-CG 4.38Å; N112-H137 PolarHBondContact N-O 3.32Å; N112-N138 WeakPolarHBondContact CA-OD1 3.38Å; N112-N138 WeakPolarHBondContact CB-OD1 3.43Å; N112-N138 PolarHBondContact O-OD1 3.13Å
113	Q	98.6	Very high	98	Very high	116 Å²	116	45.3 Å²	45.3	54%	0.542	23%	0.234	S	C	.	.			trans	-121.2	29.3	-177.2	-59.1	177.4	22.9	0	0	111.3	I90 S91 T115 N138	I90-Q113 CarbonylContact O-C 3.06Å; I90-Q113 VanDerWaalsContact O-C 3.31Å; I90-Q113 WeakPolarHBondContact O-CA 3.37Å; I90-Q113 PolarHBondContact O-N 3.12Å; S91-Q113 WeakPolarHBondContact CA-O 3.21Å; Q113-T115 PolarHBondContact O-N 3.39Å; Q113-N138 PolarHBondContact N-OD1 2.91Å
114	L	98.6	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.			trans	-63.3	134.7	-177.3	-63.7	175.2	0	0	0	110.8	I90 V93 L109 N112 L135 N138 N139 L140	I90-L114 HydrophobicContact CG2-CD2 3.9Å; I90-L114 PolarHBondContact O-N 3.13Å; V93-L114 HydrophobicContact CG2-CD1 4.28Å; V93-L114 HydrophobicContact CG2-CD2 3.74Å; L109-L114 HydrophobicContact CB-CD1 4.17Å; L109-L114 HydrophobicContact CD1-CD1 4.38Å; N112-L114 HydrophobicContact CB-CG 4.38Å; L114-L135 HydrophobicContact CD1-CD2 3.66Å; L114-N138 HydrophobicContact CB-CB 4.15Å; L114-N138 VanDerWaalsContact CB-OD1 3.27Å; L114-N138 WeakPolarHBondContact CB-OD1 3.35Å; L114-N138 WeakPolarHBondContact CG-OD1 3.34Å; L114-N138 PolarHBondContact N-OD1 3.41Å; L114-N139 CarbonylContact O-C 3.11Å; L114-N139 VanDerWaalsContact O-CA 3.26Å; L114-N139 WeakPolarHBondContact O-CA 3.19Å; L114-N139 WeakPolarHBondContact O-CB 3.3Å; L114-N139 PolarHBondContact O-N 3.36Å; L114-L140 HydrophobicContact CB-CD2 4.02Å; L114-L140 PolarHBondContact O-N 3.5Å
115	T	98.2	Very high	97.9	Very high	54 Å²	54	46.9 Å²	46.9	33%	0.331	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-114.4	150.6	170.3	61.1	0	0	0	0	109.9	Q113 D117 A118 I119 N139	Q113-T115 PolarHBondContact O-N 3.39Å; T115-D117 VanDerWaalsContact C-N 3.3Å; T115-D117 PolarHBondContact O-N 2.87Å; T115-A118 PolarHBondContact O-N 3.07Å; T115-A118 VanDerWaalsContact O-N 3.09Å; T115-A118 VanDerWaalsContact OG1-CB 3.28Å; T115-A118 WeakPolarHBondContact OG1-CB 3.4Å; T115-I119 PolarHBondContact O-N 2.89Å; T115-N139 HydrophobicContact CG2-CB 4.29Å
116	S	97.6	Very high	97.7	Very high	16 Å²	16	51.2 Å²	51.2	11%	0.112	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-57.5	-41.1	-177.6	-68.8	0	0	0	0	113.1	A118 I119 T141 S142	S116-A118 PolarHBondContact O-N 3.18Å; S116-I119 PolarHBondContact O-N 2.9Å; S116-T141 PolarHBondContact OG-N 3.28Å; S116-T141 PolarHBondContact OG-OG1 3.43Å; S116-S142 WeakPolarHBondContact CB-OG 3.36Å; S116-S142 PolarHBondContact OG-N 3.33Å; S116-S142 PolarHBondContact OG-O 3.42Å; S116-S142 PolarHBondContact OG-OG 2.64Å; S116-S142 VanDerWaalsContact OG-OG 3.07Å
117	D	97.1	Very high	97.6	Very high	161 Å²	161	48.1 Å²	48.1	86%	0.861	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-68.9	-19	-179.5	-64.1	-28.2	0	0	0	113.5	T115	T115-D117 VanDerWaalsContact C-N 3.3Å; T115-D117 PolarHBondContact O-N 2.87Å
118	A	97.5	Very high	97.5	Very high	30 Å²	30	53.6 Å²	53.6	25%	0.248	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-95.3	1.7	179.5	0	0	0	0	0	113	S91 A92 V93 T115 S116	S91-A118 WeakPolarHBondContact O-CB 3.26Å; A92-A118 WeakPolarHBondContact CA-O 3.32Å; A92-A118 HydrophobicContact CB-CB 3.81Å; A92-A118 WeakPolarHBondContact CB-O 3.46Å; V93-A118 PolarHBondContact N-O 2.73Å; T115-A118 PolarHBondContact O-N 3.07Å; T115-A118 VanDerWaalsContact O-N 3.09Å; T115-A118 VanDerWaalsContact OG1-CB 3.28Å; T115-A118 WeakPolarHBondContact OG1-CB 3.4Å; S116-A118 PolarHBondContact O-N 3.18Å
119	I	98.2	Very high	97.4	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.051	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-96.1	118.8	169.6	-64.3	178.8	0	0	0	108.4	V93 T115 S116 A123 F124 L140 P144	V93-I119 HydrophobicContact CB-CG1 4.46Å; T115-I119 PolarHBondContact O-N 2.89Å; S116-I119 PolarHBondContact O-N 2.9Å; I119-A123 HydrophobicContact CG2-CB 4.2Å; I119-F124 HydrophobicContact CD1-CE2 4.5Å; I119-F124 HydrophobicContact CG2-CD2 4.35Å; I119-F124 HydrophobicContact CG2-CE2 3.64Å; I119-F124 HydrophobicContact CG2-CZ 4.38Å; I119-L140 HydrophobicContact CD1-CD2 3.63Å; I119-P144 HydrophobicContact CD1-CB 4.44Å; I119-P144 HydrophobicContact CD1-CG 3.95Å; I119-P144 HydrophobicContact CG2-CB 4.26Å
120	G	97.7	Very high	97.4	Very high	14 Å²	14	54.5 Å²	54.5	14%	0.144	29%	0.289	C	S	.	.			trans	-62.8	149.3	176.1	0	0	0	0	0	112.1	V93 D95 E122 A123	V93-G120 PolarHBondContact O-N 3.33Å; D95-G120 WeakPolarHBondContact OD1-CA 3.23Å; G120-E122 PolarHBondContact O-N 3.25Å; G120-A123 VanDerWaalsContact O-CB 3.28Å; G120-A123 WeakPolarHBondContact O-CB 3.27Å; G120-A123 PolarHBondContact O-N 3.43Å
121	K	96.2	Very high	97.4	Very high	154 Å²	154	55.8 Å²	55.8	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.3	-176.4	-65.6	-176.9	-179.5	-179.5	0	113.4	D95 P145 N146	D95-K121 PolarHBondContact OD1-N 3.07Å; K121-P145 HydrophobicContact CG-CG 4.45Å; K121-N146 PolarHBondContact O-ND2 2.98Å
122	E	96.3	Very high	97.4	Very high	117 Å²	117	56 Å²	56	55%	0.547	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	1.8	-179.4	-56.7	-169.2	159	0	0	112.5	D95 G120 F124 L125	D95-E122 HydrophobicContact CB-CB 4.29Å; D95-E122 WeakPolarHBondContact OD1-CA 3.49Å; D95-E122 PolarHBondContact OD1-N 2.68Å; G120-E122 PolarHBondContact O-N 3.25Å; E122-F124 PolarHBondContact O-N 3.29Å; E122-F124 VanDerWaalsContact O-N 3.08Å; E122-L125 HydrophobicContact CB-CB 4.35Å; E122-L125 HydrophobicContact CB-CD2 4.37Å; E122-L125 HydrophobicContact CG-CD2 4.26Å; E122-L125 WeakPolarHBondContact O-CB 3.33Å; E122-L125 PolarHBondContact O-N 3.04Å
123	A	97.3	Very high	97.4	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.025	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-38.4	-174.6	0	0	0	0	0	113.8	V93 D95 I119 G120	V93-A123 HydrophobicContact CG1-CB 3.98Å; V93-A123 WeakPolarHBondContact O-CB 3.38Å; D95-A123 PolarHBondContact OD1-N 3.29Å; I119-A123 HydrophobicContact CG2-CB 4.2Å; G120-A123 VanDerWaalsContact O-CB 3.28Å; G120-A123 WeakPolarHBondContact O-CB 3.27Å; G120-A123 PolarHBondContact O-N 3.43Å
124	F	97	Very high	97.4	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-4	-179.5	-54.7	-66.5	0	0	0	114.2	L98 L107 L109 I119 E122 K126 L127 L133 P144 L147	L98-F124 HydrophobicContact CD1-CD1 3.78Å; L98-F124 HydrophobicContact CD1-CE1 3.72Å; L107-F124 HydrophobicContact CD2-CD1 4.26Å; L107-F124 HydrophobicContact CD2-CE1 3.85Å; L109-F124 HydrophobicContact CD1-CE1 4.5Å; I119-F124 HydrophobicContact CD1-CE2 4.5Å; I119-F124 HydrophobicContact CG2-CD2 4.35Å; I119-F124 HydrophobicContact CG2-CE2 3.64Å; I119-F124 HydrophobicContact CG2-CZ 4.38Å; E122-F124 PolarHBondContact O-N 3.29Å; E122-F124 VanDerWaalsContact O-N 3.08Å; F124-K126 VanDerWaalsContact C-N 3.28Å; F124-K126 PolarHBondContact O-N 2.94Å; F124-L127 HydrophobicContact CB-CD1 4.35Å; F124-L127 HydrophobicContact CD1-CD1 3.84Å; F124-L127 WeakPolarHBondContact O-CB 3.48Å; F124-L127 PolarHBondContact O-N 3.48Å; F124-L127 VanDerWaalsContact O-N 3.09Å; F124-L133 HydrophobicContact CE1-CD1 4.34Å; F124-P144 HydrophobicContact CD2-CB 4.15Å; F124-P144 HydrophobicContact CE2-CB 3.82Å; F124-P144 HydrophobicContact CE2-CG 4.23Å; F124-L147 HydrophobicContact CB-CD2 4.39Å; F124-L147 HydrophobicContact CD2-CD2 3.78Å; F124-L147 HydrophobicContact CE2-CD2 4.31Å; F124-L147 HydrophobicContact CG-CD2 4.18Å
125	L	94.6	Very high	97.4	Very high	78 Å²	78	51 Å²	51	41%	0.408	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-32	-168.1	-177.5	65.6	0	0	0	113.2	E122 L127 N146	E122-L125 HydrophobicContact CB-CB 4.35Å; E122-L125 HydrophobicContact CB-CD2 4.37Å; E122-L125 HydrophobicContact CG-CD2 4.26Å; E122-L125 WeakPolarHBondContact O-CB 3.33Å; E122-L125 PolarHBondContact O-N 3.04Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-N146 HydrophobicContact CD1-CB 4.27Å
126	K	95.1	Very high	97.4	Very high	119 Å²	119	49.5 Å²	49.5	52%	0.517	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-5.1	-178.6	-62.5	-61.6	-176	-175.8	0	114	T102 F124 V128	T102-K126 HydrophobicContact CG2-CB 4.39Å; F124-K126 VanDerWaalsContact C-N 3.28Å; F124-K126 PolarHBondContact O-N 2.94Å; K126-V128 PolarHBondContact O-N 3.34Å
127	L	97.1	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.			trans	-85.9	56	-175.9	-49.8	-176.7	0	0	0	111.4	L98 A101 L104 L107 F124 L125 G129 L130 P148	L98-L127 HydrophobicContact CB-CD1 4.5Å; L98-L127 HydrophobicContact CB-CD2 4.25Å; L98-L127 HydrophobicContact CD1-CD1 3.9Å; A101-L127 HydrophobicContact CB-CD2 4.39Å; A101-L127 WeakPolarHBondContact O-CD2 3.47Å; L104-L127 HydrophobicContact CB-CD2 4.42Å; L104-L127 HydrophobicContact CD1-CD1 4.41Å; L104-L127 HydrophobicContact CD1-CD2 4.05Å; L107-L127 HydrophobicContact CD2-CD1 4.26Å; F124-L127 HydrophobicContact CB-CD1 4.35Å; F124-L127 HydrophobicContact CD1-CD1 3.84Å; F124-L127 WeakPolarHBondContact O-CB 3.48Å; F124-L127 PolarHBondContact O-N 3.48Å; F124-L127 VanDerWaalsContact O-N 3.09Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L127-G129 PolarHBondContact O-N 2.91Å; L127-L130 HydrophobicContact CB-CB 3.9Å; L127-L130 HydrophobicContact CB-CD2 4.34Å; L127-L130 HydrophobicContact CD1-CD2 4Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.25Å; L127-P148 HydrophobicContact CB-CG 4.42Å; L127-P148 VanDerWaalsContact O-CB 3.24Å; L127-P148 WeakPolarHBondContact O-CB 3.48Å
128	V	95.5	Very high	97.6	Very high	115 Å²	115	45 Å²	45	70%	0.697	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.7	-170.4	-61.4	0	0	0	0	114.9	K126 S150	K126-V128 PolarHBondContact O-N 3.34Å; V128-S150 VanDerWaalsContact O-CB 3.29Å; V128-S150 WeakPolarHBondContact O-CB 3.09Å; V128-S150 PolarHBondContact O-OG 3.23Å
129	G	97.4	Very high	97.6	Very high	32 Å²	32	45.9 Å²	45.9	33%	0.33	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	7.3	176.9	0	0	0	0	0	114.2	L104 L127 E131	L104-G129 CarbonylContact O-C 3.55Å; L127-G129 PolarHBondContact O-N 2.91Å; G129-E131 PolarHBondContact O-N 2.82Å
130	L	98.6	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.			trans	-71	120	-176.1	-168.6	74	0	0	0	110.2	L104 V105 L107 L127 L133 P148 S150 L151	L104-L130 HydrophobicContact CB-CD1 4.02Å; L104-L130 WeakPolarHBondContact O-CA 3.35Å; L104-L130 PolarHBondContact O-N 2.92Å; V105-L130 WeakPolarHBondContact O-CD1 3.41Å; L107-L130 HydrophobicContact CB-CD1 3.84Å; L127-L130 HydrophobicContact CB-CB 3.9Å; L127-L130 HydrophobicContact CB-CD2 4.34Å; L127-L130 HydrophobicContact CD1-CD2 4Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.25Å; L130-L133 HydrophobicContact CD2-CB 4.06Å; L130-L133 HydrophobicContact CD2-CD1 4.44Å; L130-L133 HydrophobicContact CD2-CD2 4.45Å; L130-P148 HydrophobicContact CB-CG 3.82Å; L130-P148 HydrophobicContact CD2-CG 3.81Å; L130-P148 HydrophobicContact CG-CG 4.39Å; L130-S150 PolarHBondContact N-OG 3.42Å; L130-S150 CarbonylContact O-C 3.52Å; L130-S150 WeakPolarHBondContact O-CB 3.35Å; L130-S150 PolarHBondContact O-OG 3.15Å; L130-L151 HydrophobicContact CD2-CD2 4.07Å; L130-L151 HydrophobicContact CG-CD2 4.1Å; L130-L151 WeakPolarHBondContact O-CA 3.28Å; L130-L151 PolarHBondContact O-N 3.25Å
131	E	98.8	Very high	97.7	Very high	58 Å²	58	47.6 Å²	47.6	27%	0.271	24%	0.239	S	C	.	.			trans	-102.2	-29.7	179.8	-65.7	-170.4	159.5	0	0	112.1	V105 G129 R152 D153	V105-E131 HydrophobicContact CG1-CB 4.09Å; V105-E131 HydrophobicContact CG1-CG 3.98Å; V105-E131 PolarHBondContact O-N 3.43Å; G129-E131 PolarHBondContact O-N 2.82Å; E131-R152 HydrophobicContact CB-CG 4.38Å; E131-R152 PolarHBondContact O-N 2.99Å; E131-R152 IonicContact OE1-CZ 3.89Å; E131-R152 IonicContact OE1-NE 2.82Å; E131-R152 PolarHBondContact OE1-NE 3.42Å; E131-R152 IonicContact OE1-NH2 3.65Å; E131-D153 PolarHBondContact O-N 3.04Å; E131-D153 VanDerWaalsContact O-N 3.09Å
132	R	98.9	Very high	97.7	Very high	85 Å²	85	42.6 Å²	42.6	32%	0.321	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.9	-177.1	-55	-167.4	-175.7	138.6	7.4	111.5	V105 W106 L107 F134 D153	V105-R132 PolarHBondContact O-N 3.25Å; V105-R132 VanDerWaalsContact O-N 3.07Å; W106-R132 HydrophobicContact CB-CB 4.5Å; W106-R132 HydrophobicContact CG-CB 4.21Å; W106-R132 HydrophobicContact CG-CG 4.44Å; L107-R132 PolarHBondContact N-O 2.96Å; R132-F134 HydrophobicContact CB-CE1 4.15Å; R132-D153 WeakPolarHBondContact CA-O 3.38Å; R132-D153 HydrophobicContact CG-CB 4.08Å
133	L	98.9	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	111.4	176.9	177.5	58.3	0	0	0	109.7	L107 F124 L130 L135 L147 L151 D153 L154 R155	L107-L133 HydrophobicContact CB-CD1 4.05Å; L107-L133 HydrophobicContact CD2-CD1 3.86Å; L107-L133 HydrophobicContact CG-CD1 3.93Å; F124-L133 HydrophobicContact CE1-CD1 4.34Å; L130-L133 HydrophobicContact CD2-CB 4.06Å; L130-L133 HydrophobicContact CD2-CD1 4.44Å; L130-L133 HydrophobicContact CD2-CD2 4.45Å; L133-L135 HydrophobicContact CD1-CD1 4.18Å; L133-L135 HydrophobicContact CD1-CD2 4.44Å; L133-L135 HydrophobicContact CD1-CG 4Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CD2-CG 4.48Å; L133-L135 HydrophobicContact CG-CD1 3.85Å; L133-L135 HydrophobicContact CG-CG 4Å; L133-L147 HydrophobicContact CD2-CD2 3.46Å; L133-L147 VanDerWaalsContact CD2-CD2 3.46Å; L133-L151 HydrophobicContact CB-CD2 3.7Å; L133-D153 PolarHBondContact N-O 2.85Å; L133-D153 VanDerWaalsContact N-O 3.1Å; L133-L154 HydrophobicContact CB-CD1 4.14Å; L133-L154 HydrophobicContact CD2-CD1 4.12Å; L133-L154 HydrophobicContact CG-CD1 4.2Å; L133-R155 PolarHBondContact O-N 2.98Å; L133-R155 VanDerWaalsContact O-N 3.14Å
134	F	98.9	Very high	97.7	Very high	24 Å²	24	37.3 Å²	37.3	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.2	-179.3	-67.8	3.9	0	0	0	109.4	L107 M108 L109 H110 R132 H136 D153 R155	L107-F134 PolarHBondContact O-N 2.95Å; M108-F134 HydrophobicContact CE-CD2 3.91Å; M108-F134 HydrophobicContact CE-CE2 3.82Å; M108-F134 HydrophobicContact CE-CG 4.39Å; M108-F134 HydrophobicContact CE-CZ 4.24Å; M108-F134 HydrophobicContact SD-CB 4.04Å; M108-F134 HydrophobicContact SD-CD2 3.14Å; M108-F134 WeakPolarHBondContact SD-CD2 3.47Å; M108-F134 HydrophobicContact SD-CE2 3.61Å; M108-F134 HydrophobicContact SD-CG 3.71Å; M108-F134 HydrophobicContact SD-CZ 4.5Å; L109-F134 CarbonylContact C-O 3.11Å; L109-F134 WeakPolarHBondContact CA-O 3.25Å; L109-F134 PolarHBondContact N-O 3.03Å; H110-F134 PolarHBondContact N-O 3.1Å; R132-F134 HydrophobicContact CB-CE1 4.15Å; F134-H136 AromaticContact CD2-CE1 3.77Å; F134-H136 AromaticContact CG-CE1 3.87Å; F134-D153 HydrophobicContact CE1-CB 4.36Å; F134-R155 HydrophobicContact CD1-CB 4.1Å; F134-R155 HydrophobicContact CD1-CG 3.8Å; F134-R155 HydrophobicContact CE1-CG 3.93Å; F134-R155 HydrophobicContact CG-CG 4.49Å
135	L	98.8	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.			trans	-121.4	9.6	-179.3	-72.4	168.2	0	0	0	112.1	L109 L114 L133 N138 L140 P144 R155 L156 N159	L109-L135 HydrophobicContact CB-CD2 3.8Å; L109-L135 HydrophobicContact CD1-CD2 4.02Å; L114-L135 HydrophobicContact CD1-CD2 3.66Å; L133-L135 HydrophobicContact CD1-CD1 4.18Å; L133-L135 HydrophobicContact CD1-CD2 4.44Å; L133-L135 HydrophobicContact CD1-CG 4Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CD2-CG 4.48Å; L133-L135 HydrophobicContact CG-CD1 3.85Å; L133-L135 HydrophobicContact CG-CG 4Å; L135-N138 PolarHBondContact O-ND2 3.33Å; L135-L140 HydrophobicContact CB-CD1 4.06Å; L135-L140 HydrophobicContact CD1-CD1 4.27Å; L135-P144 HydrophobicContact CD1-CG 3.85Å; L135-R155 CarbonylContact C-O 3.07Å; L135-R155 WeakPolarHBondContact CA-O 3.48Å; L135-R155 PolarHBondContact N-O 3.22Å; L135-L156 HydrophobicContact CB-CD2 3.86Å; L135-L156 HydrophobicContact CD1-CD2 3.91Å; L135-N159 PolarHBondContact O-ND2 3.42Å
136	H	98.9	Very high	97.5	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.102	22%	0.218	C	C	.	.			trans	-62	155.5	179.1	52	-92.2	0	0	0	113.1	H110 H111 F134 N138 R155 D157	H110-H136 CarbonylContact C-O 3.5Å; H110-H136 WeakPolarHBondContact CA-O 3.37Å; H110-H136 WeakPolarHBondContact CB-CD2 3.42Å; H110-H136 WeakPolarHBondContact CB-NE2 3.37Å; H110-H136 WeakPolarHBondContact CB-O 3.49Å; H110-H136 AromaticContact CD2-NE2 3.39Å; H110-H136 PolarHBondContact CD2-NE2 2.81Å; H110-H136 AromaticContact CG-CD2 3.83Å; H110-H136 AromaticContact CG-CE1 3.64Å; H110-H136 AromaticContact CG-NE2 3.22Å; H110-H136 AromaticContact ND1-CE1 3.89Å; H110-H136 AromaticContact ND1-NE2 3.85Å; H111-H136 PolarHBondContact N-O 3.38Å; H111-H136 VanDerWaalsContact N-O 3.08Å; F134-H136 AromaticContact CD2-CE1 3.77Å; F134-H136 AromaticContact CG-CE1 3.87Å; H136-N138 PolarHBondContact O-ND2 2.97Å; H136-R155 PolarHBondContact N-O 2.85Å; H136-R155 WeakPolarHBondContact ND1-CB 3.37Å; H136-D157 CarbonylContact C-O 3.13Å; H136-D157 WeakPolarHBondContact CA-O 3.47Å; H136-D157 VanDerWaalsContact CB-CG 3.48Å; H136-D157 WeakPolarHBondContact CB-O 3.48Å; H136-D157 WeakPolarHBondContact CB-OD1 3.5Å; H136-D157 WeakPolarHBondContact CB-OD2 3.28Å; H136-D157 IonicContact CG-OD2 2.79Å
137	H	98.8	Very high	97.6	Very high	70 Å²	70	35.3 Å²	35.3	32%	0.324	20%	0.197	S	C	.	.	S	Bend	trans	54.3	55.9	-175.3	-67.5	-94	0	0	0	112.2	H111 N112 D157 H158	H111-H137 VanDerWaalsContact CA-O 3.22Å; H111-H137 WeakPolarHBondContact CA-O 3.44Å; H111-H137 HydrophobicContact CB-CB 4.5Å; H111-H137 AromaticContact CD2-CG 3.98Å; H111-H137 AromaticContact CE1-CD2 3.77Å; H111-H137 AromaticContact CE1-CG 3.51Å; H111-H137 AromaticContact CE1-ND1 3.7Å; H111-H137 PolarHBondContact N-O 2.93Å; H111-H137 AromaticContact NE2-CD2 3.39Å; H111-H137 PolarHBondContact NE2-CD2 3.3Å; H111-H137 AromaticContact NE2-CG 3.5Å; H111-H137 AromaticContact NE2-NE2 3.89Å; N112-H137 PolarHBondContact N-O 3.32Å; H137-D157 PolarHBondContact N-O 2.89Å; H137-D157 VanDerWaalsContact N-O 3.13Å; H137-H158 VanDerWaalsContact CA-O 3.24Å; H137-H158 WeakPolarHBondContact CA-O 3.22Å; H137-H158 HydrophobicContact CB-CB 4.46Å; H137-H158 AromaticContact CD2-CG 3.82Å; H137-H158 AromaticContact CD2-ND1 3.92Å; H137-H158 AromaticContact CE1-CD2 3.49Å; H137-H158 PolarHBondContact CE1-CD2 3.38Å; H137-H158 VanDerWaalsContact CE1-CD2 3.49Å; H137-H158 AromaticContact CE1-CG 3.47Å; H137-H158 VanDerWaalsContact CE1-CG 3.47Å; H137-H158 AromaticContact CE1-ND1 3.96Å; H137-H158 AromaticContact CE1-NE2 3.98Å; H137-H158 PolarHBondContact N-O 2.83Å; H137-H158 AromaticContact ND1-CG 3.99Å; H137-H158 AromaticContact NE2-CD2 3.75Å; H137-H158 AromaticContact NE2-CE1 3.82Å; H137-H158 AromaticContact NE2-CG 3.39Å; H137-H158 AromaticContact NE2-ND1 3.43Å; H137-H158 PolarHBondContact NE2-ND1 2.75Å; H137-H158 AromaticContact NE2-NE2 3.98Å
138	N	98.9	Very high	97.5	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.064	20%	0.2	C	C	.	.	S	Bend	trans	-127.6	-163.3	170	-85.4	-79.3	0	0	0	109	L109 N112 Q113 L114 L135 H136 L140 H158 N159	L109-N138 PolarHBondContact O-ND2 2.83Å; N112-N138 WeakPolarHBondContact CA-OD1 3.38Å; N112-N138 WeakPolarHBondContact CB-OD1 3.43Å; N112-N138 PolarHBondContact O-OD1 3.13Å; Q113-N138 PolarHBondContact N-OD1 2.91Å; L114-N138 HydrophobicContact CB-CB 4.15Å; L114-N138 VanDerWaalsContact CB-OD1 3.27Å; L114-N138 WeakPolarHBondContact CB-OD1 3.35Å; L114-N138 WeakPolarHBondContact CG-OD1 3.34Å; L114-N138 PolarHBondContact N-OD1 3.41Å; L135-N138 PolarHBondContact O-ND2 3.33Å; H136-N138 PolarHBondContact O-ND2 2.97Å; N138-L140 HydrophobicContact CB-CG 4.2Å; N138-H158 PolarHBondContact N-O 2.95Å; N138-N159 WeakPolarHBondContact CA-OD1 3.32Å; N138-N159 WeakPolarHBondContact CB-OD1 3.44Å; N138-N159 PolarHBondContact N-OD1 2.8Å; N138-N159 PolarHBondContact O-OD1 3.43Å
139	N	98.6	Very high	97.6	Very high	50 Å²	50	38.1 Å²	38.1	27%	0.267	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-122.3	35	-177.7	-147.1	91.6	0	0	0	111.6	L114 T115 N159 R160	L114-N139 CarbonylContact O-C 3.11Å; L114-N139 VanDerWaalsContact O-CA 3.26Å; L114-N139 WeakPolarHBondContact O-CA 3.19Å; L114-N139 WeakPolarHBondContact O-CB 3.3Å; L114-N139 PolarHBondContact O-N 3.36Å; T115-N139 HydrophobicContact CG2-CB 4.29Å; N139-N159 PolarHBondContact N-OD1 3.02Å; N139-R160 PolarHBondContact ND2-NH1 3.16Å; N139-R160 PolarHBondContact OD1-NE 3.17Å; N139-R160 PolarHBondContact OD1-NH1 3.25Å; N139-R160 PolarHBondContact OD1-NH2 3.02Å
140	L	98.8	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.			trans	-72.2	135.2	-179.3	-56.3	178.7	0	0	0	110.6	L114 I119 L135 N138 P144 L156 N159 R160 I161	L114-L140 HydrophobicContact CB-CD2 4.02Å; L114-L140 PolarHBondContact O-N 3.5Å; I119-L140 HydrophobicContact CD1-CD2 3.63Å; L135-L140 HydrophobicContact CB-CD1 4.06Å; L135-L140 HydrophobicContact CD1-CD1 4.27Å; N138-L140 HydrophobicContact CB-CG 4.2Å; L140-P144 HydrophobicContact CD1-CG 4.44Å; L140-L156 HydrophobicContact CD1-CD2 3.91Å; L140-N159 HydrophobicContact CB-CB 4.23Å; L140-N159 WeakPolarHBondContact CB-OD1 3.22Å; L140-N159 WeakPolarHBondContact CG-OD1 3.44Å; L140-N159 PolarHBondContact N-OD1 3.37Å; L140-R160 CarbonylContact O-C 3.21Å; L140-R160 VanDerWaalsContact O-CA 3.27Å; L140-R160 WeakPolarHBondContact O-CA 3.09Å; L140-R160 PolarHBondContact O-N 2.64Å; L140-I161 HydrophobicContact CB-CG1 4.42Å; L140-I161 PolarHBondContact O-N 3.12Å
141	T	98.1	Very high	97.6	Very high	60 Å²	60	37.8 Å²	37.8	37%	0.368	19%	0.189	S	C	.	.	S	Bend	trans	-104	-6.1	176.3	53	0	0	0	0	112.8	S116 R160 I161 E162	S116-T141 PolarHBondContact OG-N 3.28Å; S116-T141 PolarHBondContact OG-OG1 3.43Å; T141-R160 WeakPolarHBondContact CA-O 3.44Å; T141-R160 HydrophobicContact CG2-CB 4.39Å; T141-I161 WeakPolarHBondContact O-CA 3.38Å; T141-E162 PolarHBondContact O-N 3.03Å
142	S	97.1	Very high	97.6	Very high	49 Å²	49	40.7 Å²	40.7	34%	0.343	20%	0.197	S	C	.	.	S	Bend	trans	-152.4	159.8	179.5	68.4	0	0	0	0	110.1	S116	S116-S142 WeakPolarHBondContact CB-OG 3.36Å; S116-S142 PolarHBondContact OG-N 3.33Å; S116-S142 PolarHBondContact OG-O 3.42Å; S116-S142 PolarHBondContact OG-OG 2.64Å; S116-S142 VanDerWaalsContact OG-OG 3.07Å
143	I	97.3	Very high	97.6	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-64.6	136.7	167.2	-56.2	-170.5	0	0	0	108.5	L147 L156 I161 V164 D168 L169 L180	I143-L147 HydrophobicContact CG2-CD1 3.71Å; I143-L156 HydrophobicContact CD1-CD1 4.11Å; I143-L156 HydrophobicContact CG1-CD1 3.97Å; I143-L156 HydrophobicContact CG2-CD1 4.08Å; I143-I161 HydrophobicContact CG1-CD1 4.34Å; I143-I161 HydrophobicContact CG1-CG2 4.43Å; I143-V164 HydrophobicContact CD1-CB 4.49Å; I143-V164 HydrophobicContact CD1-CG1 3.92Å; I143-V164 HydrophobicContact CD1-CG2 4.07Å; I143-D168 HydrophobicContact CB-CB 4.01Å; I143-D168 HydrophobicContact CD1-CB 3.93Å; I143-D168 HydrophobicContact CG1-CB 4.42Å; I143-D168 HydrophobicContact CG2-CB 4.09Å; I143-L169 HydrophobicContact CD1-CD2 4.33Å; I143-L180 HydrophobicContact CD1-CD2 4.49Å
144	P	96.4	Very high	97.6	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.026	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-58.4	140.7	175.5	-26.8	35.5	0	0	0	112.3	I119 F124 L135 L140 L147	I119-P144 HydrophobicContact CD1-CB 4.44Å; I119-P144 HydrophobicContact CD1-CG 3.95Å; I119-P144 HydrophobicContact CG2-CB 4.26Å; F124-P144 HydrophobicContact CD2-CB 4.15Å; F124-P144 HydrophobicContact CE2-CB 3.82Å; F124-P144 HydrophobicContact CE2-CG 4.23Å; L135-P144 HydrophobicContact CD1-CG 3.85Å; L140-P144 HydrophobicContact CD1-CG 4.44Å; P144-L147 HydrophobicContact CB-CD2 4.01Å; P144-L147 HydrophobicContact CB-CG 4.37Å; P144-L147 HydrophobicContact CG-CD2 4.49Å; P144-L147 WeakPolarHBondContact O-CG 3.38Å
145	P	92.6	Very high	97.6	Very high	50 Å²	50	39.3 Å²	39.3	33%	0.325	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	155.1	177.8	31	-36.7	0	0	0	111.5	K121 L147	K121-P145 HydrophobicContact CG-CG 4.45Å; P145-L147 VanDerWaalsContact C-N 3.28Å; P145-L147 PolarHBondContact O-N 2.84Å
146	N	93.9	Very high	97.6	Very high	93 Å²	93	39.3 Å²	39.3	50%	0.497	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	37.7	170.8	-56	-49.8	0	0	0	114.6	K121 L125	K121-N146 PolarHBondContact O-ND2 2.98Å; L125-N146 HydrophobicContact CD1-CB 4.27Å
147	L	96.6	Very high	97.6	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	19%	0.19	C	C	.	.			trans	-58.7	143.9	171.3	-71.5	-178.8	0	0	0	111.1	F124 L133 I143 P144 P145 R149 L151 L154 M172	F124-L147 HydrophobicContact CB-CD2 4.39Å; F124-L147 HydrophobicContact CD2-CD2 3.78Å; F124-L147 HydrophobicContact CE2-CD2 4.31Å; F124-L147 HydrophobicContact CG-CD2 4.18Å; L133-L147 HydrophobicContact CD2-CD2 3.46Å; L133-L147 VanDerWaalsContact CD2-CD2 3.46Å; I143-L147 HydrophobicContact CG2-CD1 3.71Å; P144-L147 HydrophobicContact CB-CD2 4.01Å; P144-L147 HydrophobicContact CB-CG 4.37Å; P144-L147 HydrophobicContact CG-CD2 4.49Å; P144-L147 WeakPolarHBondContact O-CG 3.38Å; P145-L147 VanDerWaalsContact C-N 3.28Å; P145-L147 PolarHBondContact O-N 2.84Å; L147-R149 PolarHBondContact O-N 3.21Å; L147-L151 HydrophobicContact CB-CD1 4.06Å; L147-L151 HydrophobicContact CD1-CD1 4.41Å; L147-L154 HydrophobicContact CD1-CD1 4.18Å; L147-L154 HydrophobicContact CD1-CD2 3.8Å; L147-M172 HydrophobicContact CB-CE 3.45Å; L147-M172 VanDerWaalsContact CB-CE 3.45Å; L147-M172 HydrophobicContact CD1-CE 4.06Å; L147-M172 HydrophobicContact CG-CE 4.38Å
148	P	96.1	Very high	97.6	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.065	19%	0.189	C	C	.	.			trans	-68.8	134.3	-175.9	24.7	-31	0	0	0	111.3	L127 L130 S150 L151	L127-P148 HydrophobicContact CB-CG 4.42Å; L127-P148 VanDerWaalsContact O-CB 3.24Å; L127-P148 WeakPolarHBondContact O-CB 3.48Å; L130-P148 HydrophobicContact CB-CG 3.82Å; L130-P148 HydrophobicContact CD2-CG 3.81Å; L130-P148 HydrophobicContact CG-CG 4.39Å; P148-S150 PolarHBondContact O-N 3.21Å; P148-S150 VanDerWaalsContact O-N 3.09Å; P148-L151 HydrophobicContact CG-CD1 4.29Å; P148-L151 HydrophobicContact CG-CG 4.09Å; P148-L151 VanDerWaalsContact O-CG 3.29Å; P148-L151 WeakPolarHBondContact O-CG 3.48Å; P148-L151 PolarHBondContact O-N 2.98Å
149	R	96.7	Very high	97.6	Very high	163 Å²	163	38.5 Å²	38.5	62%	0.615	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.5	-179.9	-63.9	178.6	-177.5	166.3	0.1	114.2	L147 L151	L147-R149 PolarHBondContact O-N 3.21Å; R149-L151 VanDerWaalsContact C-N 3.27Å
150	S	97.9	Very high	97.6	Very high	26 Å²	26	42 Å²	42	18%	0.182	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.7	176	52.7	0	0	0	0	113.9	V128 L130 P148	V128-S150 VanDerWaalsContact O-CB 3.29Å; V128-S150 WeakPolarHBondContact O-CB 3.09Å; V128-S150 PolarHBondContact O-OG 3.23Å; L130-S150 PolarHBondContact N-OG 3.42Å; L130-S150 CarbonylContact O-C 3.52Å; L130-S150 WeakPolarHBondContact O-CB 3.35Å; L130-S150 PolarHBondContact O-OG 3.15Å; P148-S150 PolarHBondContact O-N 3.21Å; P148-S150 VanDerWaalsContact O-N 3.09Å
151	L	98.5	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.			trans	-58.8	140.7	-176.2	-75.2	170.8	0	0	0	112.6	L130 L133 L147 P148 R149 L154 M172 N174 L175	L130-L151 HydrophobicContact CD2-CD2 4.07Å; L130-L151 HydrophobicContact CG-CD2 4.1Å; L130-L151 WeakPolarHBondContact O-CA 3.28Å; L130-L151 PolarHBondContact O-N 3.25Å; L133-L151 HydrophobicContact CB-CD2 3.7Å; L147-L151 HydrophobicContact CB-CD1 4.06Å; L147-L151 HydrophobicContact CD1-CD1 4.41Å; P148-L151 HydrophobicContact CG-CD1 4.29Å; P148-L151 HydrophobicContact CG-CG 4.09Å; P148-L151 VanDerWaalsContact O-CG 3.29Å; P148-L151 WeakPolarHBondContact O-CG 3.48Å; P148-L151 PolarHBondContact O-N 2.98Å; R149-L151 VanDerWaalsContact C-N 3.27Å; L151-L154 HydrophobicContact CD1-CD1 4.4Å; L151-M172 HydrophobicContact CD1-CE 4.39Å; L151-N174 CarbonylContact O-C 3.38Å; L151-L175 HydrophobicContact CB-CD1 4.2Å; L151-L175 WeakPolarHBondContact O-CA 3.22Å; L151-L175 PolarHBondContact O-N 3.41Å
152	R	98.8	Very high	97.5	Very high	118 Å²	118	44 Å²	44	45%	0.445	20%	0.203	S	C	.	.	S	Bend	trans	-120.4	-32.5	176.2	-61	-174.3	-176.1	-139.6	4.5	112.5	E131 N174 T176 I177	E131-R152 HydrophobicContact CB-CG 4.38Å; E131-R152 PolarHBondContact O-N 2.99Å; E131-R152 IonicContact OE1-CZ 3.89Å; E131-R152 IonicContact OE1-NE 2.82Å; E131-R152 PolarHBondContact OE1-NE 3.42Å; E131-R152 IonicContact OE1-NH2 3.65Å; R152-N174 HydrophobicContact CG-CB 4.48Å; R152-T176 WeakPolarHBondContact O-CA 3.42Å; R152-T176 PolarHBondContact O-N 3.16Å; R152-T176 PolarHBondContact O-OG1 2.99Å; R152-I177 PolarHBondContact O-N 3.36Å; R152-I177 VanDerWaalsContact O-N 3.08Å
153	D	98.9	Very high	97.4	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	111.4	178.1	-174.3	-15.8	0	0	0	108.7	E131 R132 L133 F134 R155 I177	E131-D153 PolarHBondContact O-N 3.04Å; E131-D153 VanDerWaalsContact O-N 3.09Å; R132-D153 WeakPolarHBondContact CA-O 3.38Å; R132-D153 HydrophobicContact CG-CB 4.08Å; L133-D153 PolarHBondContact N-O 2.85Å; L133-D153 VanDerWaalsContact N-O 3.1Å; F134-D153 HydrophobicContact CE1-CB 4.36Å; D153-R155 VanDerWaalsContact OD1-CG 3.25Å; D153-R155 WeakPolarHBondContact OD1-CG 3.25Å; D153-R155 IonicContact OD1-CZ 2.81Å; D153-R155 IonicContact OD1-NE 3.47Å; D153-R155 PolarHBondContact OD1-NE 3.29Å; D153-R155 VanDerWaalsContact OD1-NE 3.07Å; D153-R155 IonicContact OD1-NH2 3.07Å; D153-R155 IonicContact OD2-CZ 3.06Å; D153-R155 IonicContact OD2-NE 3.18Å; D153-R155 PolarHBondContact OD2-NE 2.87Å; D153-R155 IonicContact OD2-NH2 3.6Å; D153-R155 PolarHBondContact OD2-NH2 2.79Å; D153-I177 HydrophobicContact CB-CB 4.42Å
154	L	98.8	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	177.9	178.1	59.4	0	0	0	109.2	L133 L147 L151 L156 L169 L175 I177 L178 H179	L133-L154 HydrophobicContact CB-CD1 4.14Å; L133-L154 HydrophobicContact CD2-CD1 4.12Å; L133-L154 HydrophobicContact CG-CD1 4.2Å; L147-L154 HydrophobicContact CD1-CD1 4.18Å; L147-L154 HydrophobicContact CD1-CD2 3.8Å; L151-L154 HydrophobicContact CD1-CD1 4.4Å; L154-L156 HydrophobicContact CD1-CD1 4.14Å; L154-L156 HydrophobicContact CD1-CG 4.09Å; L154-L156 HydrophobicContact CD2-CD1 3.84Å; L154-L156 HydrophobicContact CG-CD1 3.87Å; L154-L156 HydrophobicContact CG-CG 4.15Å; L154-L169 HydrophobicContact CD2-CD2 4.15Å; L154-L175 HydrophobicContact CB-CD1 3.86Å; L154-I177 PolarHBondContact N-O 3.47Å; L154-I177 VanDerWaalsContact N-O 3.09Å; L154-L178 HydrophobicContact CB-CD1 4.22Å; L154-L178 HydrophobicContact CD2-CD1 4.03Å; L154-L178 HydrophobicContact CG-CD1 4.14Å; L154-H179 PolarHBondContact O-N 2.79Å; L154-H179 VanDerWaalsContact O-N 3.07Å
155	R	98.9	Very high	97	Very high	71 Å²	71	50.9 Å²	50.9	27%	0.268	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.6	-179.7	-56.3	-170.7	-170.5	-166.1	2.3	110.9	L133 F134 L135 H136 D153 H179	L133-R155 PolarHBondContact O-N 2.98Å; L133-R155 VanDerWaalsContact O-N 3.14Å; F134-R155 HydrophobicContact CD1-CB 4.1Å; F134-R155 HydrophobicContact CD1-CG 3.8Å; F134-R155 HydrophobicContact CE1-CG 3.93Å; F134-R155 HydrophobicContact CG-CG 4.49Å; L135-R155 CarbonylContact C-O 3.07Å; L135-R155 WeakPolarHBondContact CA-O 3.48Å; L135-R155 PolarHBondContact N-O 3.22Å; H136-R155 PolarHBondContact N-O 2.85Å; H136-R155 WeakPolarHBondContact ND1-CB 3.37Å; D153-R155 VanDerWaalsContact OD1-CG 3.25Å; D153-R155 WeakPolarHBondContact OD1-CG 3.25Å; D153-R155 IonicContact OD1-CZ 2.81Å; D153-R155 IonicContact OD1-NE 3.47Å; D153-R155 PolarHBondContact OD1-NE 3.29Å; D153-R155 VanDerWaalsContact OD1-NE 3.07Å; D153-R155 IonicContact OD1-NH2 3.07Å; D153-R155 IonicContact OD2-CZ 3.06Å; D153-R155 IonicContact OD2-NE 3.18Å; D153-R155 PolarHBondContact OD2-NE 2.87Å; D153-R155 IonicContact OD2-NH2 3.6Å; D153-R155 PolarHBondContact OD2-NH2 2.79Å; R155-H179 HydrophobicContact CB-CB 4.47Å; R155-H179 HydrophobicContact CG-CB 4.39Å
156	L	98.8	Very high	96.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.24	C	C	.	.			trans	-125	9.3	-177.9	-71.9	163.7	0	0	0	111.4	L135 L140 I143 L154 N159 I161 H179 L180 N183	L135-L156 HydrophobicContact CB-CD2 3.86Å; L135-L156 HydrophobicContact CD1-CD2 3.91Å; L140-L156 HydrophobicContact CD1-CD2 3.91Å; I143-L156 HydrophobicContact CD1-CD1 4.11Å; I143-L156 HydrophobicContact CG1-CD1 3.97Å; I143-L156 HydrophobicContact CG2-CD1 4.08Å; L154-L156 HydrophobicContact CD1-CD1 4.14Å; L154-L156 HydrophobicContact CD1-CG 4.09Å; L154-L156 HydrophobicContact CD2-CD1 3.84Å; L154-L156 HydrophobicContact CG-CD1 3.87Å; L154-L156 HydrophobicContact CG-CG 4.15Å; L156-N159 PolarHBondContact O-ND2 3.39Å; L156-I161 HydrophobicContact CB-CD1 3.84Å; L156-I161 HydrophobicContact CD1-CD1 4.35Å; L156-I161 HydrophobicContact CD2-CD1 4.22Å; L156-I161 HydrophobicContact CG-CD1 4.37Å; L156-H179 PolarHBondContact N-O 2.67Å; L156-L180 HydrophobicContact CB-CD2 3.82Å; L156-L180 HydrophobicContact CD1-CD2 4.07Å; L156-N183 PolarHBondContact O-ND2 2.92Å
157	D	98.9	Very high	96.4	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.053	24%	0.243	C	C	.	.			trans	-60.3	159.5	178.2	55.1	-83	0	0	0	113.1	H136 H137 N159 H179 H181	H136-D157 CarbonylContact C-O 3.13Å; H136-D157 WeakPolarHBondContact CA-O 3.47Å; H136-D157 VanDerWaalsContact CB-CG 3.48Å; H136-D157 WeakPolarHBondContact CB-O 3.48Å; H136-D157 WeakPolarHBondContact CB-OD1 3.5Å; H136-D157 WeakPolarHBondContact CB-OD2 3.28Å; H136-D157 IonicContact CG-OD2 2.79Å; H137-D157 PolarHBondContact N-O 2.89Å; H137-D157 VanDerWaalsContact N-O 3.13Å; D157-N159 PolarHBondContact O-N 3.07Å; D157-N159 PolarHBondContact O-ND2 2.87Å; D157-N159 VanDerWaalsContact O-ND2 3.16Å; D157-H179 HydrophobicContact CB-CB 4.28Å; D157-H179 PolarHBondContact N-O 3.27Å; D157-H179 WeakPolarHBondContact OD1-CB 3.14Å; D157-H179 IonicContact OD1-ND1 3.72Å; D157-H181 CarbonylContact C-O 3.31Å; D157-H181 WeakPolarHBondContact CA-O 3.41Å; D157-H181 WeakPolarHBondContact CB-CD2 3.5Å; D157-H181 VanDerWaalsContact CB-NE2 3.33Å; D157-H181 WeakPolarHBondContact CB-NE2 3.45Å; D157-H181 VanDerWaalsContact CB-O 3.22Å; D157-H181 WeakPolarHBondContact CB-O 3.31Å; D157-H181 IonicContact OD2-NE2 3.62Å
158	H	98.8	Very high	96.2	Very high	65 Å²	65	52.9 Å²	52.9	30%	0.301	25%	0.246	S	C	.	.	S	Bend	trans	55.3	50.3	-178.8	-58.2	87	0	0	0	112.8	H137 N138 H181 D182	H137-H158 VanDerWaalsContact CA-O 3.24Å; H137-H158 WeakPolarHBondContact CA-O 3.22Å; H137-H158 HydrophobicContact CB-CB 4.46Å; H137-H158 AromaticContact CD2-CG 3.82Å; H137-H158 AromaticContact CD2-ND1 3.92Å; H137-H158 AromaticContact CE1-CD2 3.49Å; H137-H158 PolarHBondContact CE1-CD2 3.38Å; H137-H158 VanDerWaalsContact CE1-CD2 3.49Å; H137-H158 AromaticContact CE1-CG 3.47Å; H137-H158 VanDerWaalsContact CE1-CG 3.47Å; H137-H158 AromaticContact CE1-ND1 3.96Å; H137-H158 AromaticContact CE1-NE2 3.98Å; H137-H158 PolarHBondContact N-O 2.83Å; H137-H158 AromaticContact ND1-CG 3.99Å; H137-H158 AromaticContact NE2-CD2 3.75Å; H137-H158 AromaticContact NE2-CE1 3.82Å; H137-H158 AromaticContact NE2-CG 3.39Å; H137-H158 AromaticContact NE2-ND1 3.43Å; H137-H158 PolarHBondContact NE2-ND1 2.75Å; H137-H158 AromaticContact NE2-NE2 3.98Å; N138-H158 PolarHBondContact N-O 2.95Å; H158-H181 AromaticContact CE1-CD2 3.59Å; H158-H181 AromaticContact CE1-NE2 3.41Å; H158-H181 PolarHBondContact CE1-NE2 3.07Å; H158-H181 PolarHBondContact N-O 3.17Å; H158-H181 AromaticContact ND1-CD2 3.86Å; H158-H181 AromaticContact ND1-NE2 3.69Å; H158-D182 WeakPolarHBondContact CA-O 3.49Å; H158-D182 HydrophobicContact CB-CB 4.47Å; H158-D182 IonicContact CE1-OD2 2.75Å; H158-D182 PolarHBondContact N-O 2.94Å; H158-D182 IonicContact NE2-OD2 3.32Å
159	N	98.9	Very high	96.1	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.059	25%	0.245	C	C	.	.	S	Bend	trans	-126.6	-160	173.6	-84.6	-81.6	0	0	0	109.1	L135 N138 N139 L140 L156 D157 I161 D182 N183	L135-N159 PolarHBondContact O-ND2 3.42Å; N138-N159 WeakPolarHBondContact CA-OD1 3.32Å; N138-N159 WeakPolarHBondContact CB-OD1 3.44Å; N138-N159 PolarHBondContact N-OD1 2.8Å; N138-N159 PolarHBondContact O-OD1 3.43Å; N139-N159 PolarHBondContact N-OD1 3.02Å; L140-N159 HydrophobicContact CB-CB 4.23Å; L140-N159 WeakPolarHBondContact CB-OD1 3.22Å; L140-N159 WeakPolarHBondContact CG-OD1 3.44Å; L140-N159 PolarHBondContact N-OD1 3.37Å; L156-N159 PolarHBondContact O-ND2 3.39Å; D157-N159 PolarHBondContact O-N 3.07Å; D157-N159 PolarHBondContact O-ND2 2.87Å; D157-N159 VanDerWaalsContact O-ND2 3.16Å; N159-I161 HydrophobicContact CB-CD1 4.36Å; N159-I161 HydrophobicContact CB-CG1 4.17Å; N159-D182 PolarHBondContact N-O 2.89Å; N159-N183 WeakPolarHBondContact CA-OD1 3.46Å; N159-N183 WeakPolarHBondContact CB-OD1 3.41Å; N159-N183 PolarHBondContact O-OD1 3.05Å
160	R	98.6	Very high	95.8	Very high	123 Å²	123	50.6 Å²	50.6	46%	0.464	24%	0.242	S	C	.	.			trans	-126	32.9	177.6	-57	-179	-169.7	171.7	3.4	111.1	N139 L140 T141 E162 N183	N139-R160 PolarHBondContact ND2-NH1 3.16Å; N139-R160 PolarHBondContact OD1-NE 3.17Å; N139-R160 PolarHBondContact OD1-NH1 3.25Å; N139-R160 PolarHBondContact OD1-NH2 3.02Å; L140-R160 CarbonylContact O-C 3.21Å; L140-R160 VanDerWaalsContact O-CA 3.27Å; L140-R160 WeakPolarHBondContact O-CA 3.09Å; L140-R160 PolarHBondContact O-N 2.64Å; T141-R160 WeakPolarHBondContact CA-O 3.44Å; T141-R160 HydrophobicContact CG2-CB 4.39Å; R160-E162 PolarHBondContact O-N 3.46Å; R160-N183 PolarHBondContact N-OD1 3.34Å
161	I	98.4	Very high	95.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.			trans	-65.7	123.8	-176.2	-62.6	169.6	0	0	0	108.9	L140 T141 I143 L156 N159 K163 L180 N183 E184 V185	L140-I161 HydrophobicContact CB-CG1 4.42Å; L140-I161 PolarHBondContact O-N 3.12Å; T141-I161 WeakPolarHBondContact O-CA 3.38Å; I143-I161 HydrophobicContact CG1-CD1 4.34Å; I143-I161 HydrophobicContact CG1-CG2 4.43Å; L156-I161 HydrophobicContact CB-CD1 3.84Å; L156-I161 HydrophobicContact CD1-CD1 4.35Å; L156-I161 HydrophobicContact CD2-CD1 4.22Å; L156-I161 HydrophobicContact CG-CD1 4.37Å; N159-I161 HydrophobicContact CB-CD1 4.36Å; N159-I161 HydrophobicContact CB-CG1 4.17Å; I161-K163 WeakPolarHBondContact CG2-O 3.45Å; I161-L180 HydrophobicContact CD1-CD2 4.1Å; I161-N183 HydrophobicContact CB-CB 4.36Å; I161-N183 VanDerWaalsContact CB-OD1 3.3Å; I161-N183 WeakPolarHBondContact CB-OD1 3.19Å; I161-N183 WeakPolarHBondContact CG1-OD1 3.48Å; I161-N183 PolarHBondContact N-OD1 3.39Å; I161-E184 CarbonylContact O-C 3.34Å; I161-E184 WeakPolarHBondContact O-CA 3.26Å; I161-E184 PolarHBondContact O-N 3.39Å; I161-V185 HydrophobicContact CB-CG2 4.44Å; I161-V185 HydrophobicContact CG2-CG2 4.17Å; I161-V185 WeakPolarHBondContact O-CA 3.16Å; I161-V185 WeakPolarHBondContact O-CG2 3.41Å; I161-V185 PolarHBondContact O-N 3.01Å
162	E	96.7	Very high	95.4	Very high	102 Å²	102	50.8 Å²	50.8	48%	0.477	25%	0.247	S	C	.	.			trans	-94.7	-27.4	-174.4	-63.6	-177.7	-174.6	0	0	113.5	T141 R160 V185 T186	T141-E162 PolarHBondContact O-N 3.03Å; R160-E162 PolarHBondContact O-N 3.46Å; E162-V185 WeakPolarHBondContact O-CA 3.33Å; E162-T186 PolarHBondContact O-N 2.67Å; E162-T186 PolarHBondContact O-OG1 3.46Å
163	K	94.3	Very high	95.3	Very high	116 Å²	116	47.9 Å²	47.9	50%	0.504	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-148.3	150.4	-173.7	-61	-173.5	-177.6	-177.1	0	111.4	I161 D187	I161-K163 WeakPolarHBondContact CG2-O 3.45Å; K163-D187 HydrophobicContact CG-CB 4.47Å
164	V	94.3	Very high	95.2	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.024	26%	0.258	C	S	.	.			trans	-124.6	113.6	171.3	-179.9	0	0	0	0	108.8	I143 L169 L180 V185 D187 M188 T190	I143-V164 HydrophobicContact CD1-CB 4.49Å; I143-V164 HydrophobicContact CD1-CG1 3.92Å; I143-V164 HydrophobicContact CD1-CG2 4.07Å; V164-L169 HydrophobicContact CG1-CD1 4.1Å; V164-L180 HydrophobicContact CG2-CD1 4.19Å; V164-V185 HydrophobicContact CG2-CG1 4.27Å; V164-V185 HydrophobicContact CG2-CG2 4.34Å; V164-D187 PolarHBondContact N-O 2.74Å; V164-D187 VanDerWaalsContact N-O 3.16Å; V164-M188 HydrophobicContact CB-CE 4.34Å; V164-M188 HydrophobicContact CB-CG 4.13Å; V164-M188 HydrophobicContact CG1-CE 4.1Å; V164-M188 HydrophobicContact CG2-CE 4.3Å; V164-T190 PolarHBondContact O-OG1 2.81Å; V164-T190 VanDerWaalsContact O-OG1 3.06Å
165	I	91	Very high	95.2	Very high	82 Å²	82	51.3 Å²	51.3	42%	0.421	26%	0.258	S	S	.	.			trans	-101.1	157.9	-176.4	60.7	168.8	0	0	0	111.6	T167 D168	I165-T167 WeakPolarHBondContact CD1-OG1 3.3Å; I165-T167 PolarHBondContact O-N 3.08Å; I165-T167 VanDerWaalsContact O-N 3.1Å; I165-D168 HydrophobicContact CG1-CB 4.46Å; I165-D168 WeakPolarHBondContact CG1-OD1 3.41Å; I165-D168 VanDerWaalsContact CG1-OD2 3.23Å; I165-D168 WeakPolarHBondContact CG1-OD2 3.2Å; I165-D168 PolarHBondContact N-OD2 2.87Å; I165-D168 WeakPolarHBondContact O-CB 3.47Å; I165-D168 PolarHBondContact O-N 3.05Å
166	P	86.4	Confident	95.2	Very high	84 Å²	84	50 Å²	50	55%	0.545	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-55.6	-34.1	-175.1	-27.4	34.9	0	0	0	115.1	D168 T190	P166-D168 VanDerWaalsContact C-N 3.3Å; P166-D168 PolarHBondContact O-N 3.14Å; P166-T190 HydrophobicContact CB-CG2 3.98Å; P166-T190 VanDerWaalsContact CD-OG1 3.24Å; P166-T190 WeakPolarHBondContact CD-OG1 3.4Å; P166-T190 HydrophobicContact CG-CG2 3.91Å
167	T	88.9	Confident	95.2	Very high	90 Å²	90	51.9 Å²	51.9	55%	0.552	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-73	-19	-178.9	49.9	0	0	0	0	113.7	I165 L169	I165-T167 WeakPolarHBondContact CD1-OG1 3.3Å; I165-T167 PolarHBondContact O-N 3.08Å; I165-T167 VanDerWaalsContact O-N 3.1Å; T167-L169 VanDerWaalsContact C-N 3.29Å; T167-L169 PolarHBondContact O-N 2.9Å
168	D	92.2	Very high	95.2	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.134	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-67	-33	-176.2	-66.5	-21.4	0	0	0	112.4	I143 I165 P166 M172	I143-D168 HydrophobicContact CB-CB 4.01Å; I143-D168 HydrophobicContact CD1-CB 3.93Å; I143-D168 HydrophobicContact CG1-CB 4.42Å; I143-D168 HydrophobicContact CG2-CB 4.09Å; I165-D168 HydrophobicContact CG1-CB 4.46Å; I165-D168 WeakPolarHBondContact CG1-OD1 3.41Å; I165-D168 VanDerWaalsContact CG1-OD2 3.23Å; I165-D168 WeakPolarHBondContact CG1-OD2 3.2Å; I165-D168 PolarHBondContact N-OD2 2.87Å; I165-D168 WeakPolarHBondContact O-CB 3.47Å; I165-D168 PolarHBondContact O-N 3.05Å; P166-D168 VanDerWaalsContact C-N 3.3Å; P166-D168 PolarHBondContact O-N 3.14Å; D168-M172 VanDerWaalsContact O-CE 3.28Å; D168-M172 WeakPolarHBondContact O-CE 3.27Å
169	L	92.8	Very high	95.2	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.047	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-118.6	12.8	-174	-56.1	174.5	0	0	0	112.2	I143 L154 V164 T167 G171 M172 L178 L192 L195	I143-L169 HydrophobicContact CD1-CD2 4.33Å; L154-L169 HydrophobicContact CD2-CD2 4.15Å; V164-L169 HydrophobicContact CG1-CD1 4.1Å; T167-L169 VanDerWaalsContact C-N 3.29Å; T167-L169 PolarHBondContact O-N 2.9Å; L169-G171 PolarHBondContact O-N 3.06Å; L169-M172 HydrophobicContact CB-SD 4.38Å; L169-M172 HydrophobicContact CD2-CE 4.24Å; L169-M172 HydrophobicContact CD2-SD 3.85Å; L169-M172 PolarHBondContact O-N 3.07Å; L169-L178 HydrophobicContact CD1-CD2 3.71Å; L169-L178 HydrophobicContact CD2-CD2 4.47Å; L169-L192 HydrophobicContact CD1-CD2 4.03Å; L169-L195 HydrophobicContact CB-CD2 4.18Å; L169-L195 HydrophobicContact CD1-CD1 4.21Å
170	E	90.9	Very high	95.1	Very high	116 Å²	116	49.3 Å²	49.3	54%	0.542	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	126.6	-173.4	-172.3	-176.2	178.9	0	0	112.2	M172	E170-M172 VanDerWaalsContact C-N 3.25Å; E170-M172 PolarHBondContact O-N 3.44Å
171	G	93.1	Very high	95.2	Very high	26 Å²	26	44.8 Å²	44.8	27%	0.268	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	12.2	175.8	0	0	0	0	0	114.6	L169 D173	L169-G171 PolarHBondContact O-N 3.06Å; G171-D173 PolarHBondContact O-N 3.23Å
172	M	95.7	Very high	95.2	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.02	25%	0.254	C	S	.	.			trans	-77.6	56.4	172.5	-61.2	-171.6	-176.1	0	0	111.7	L147 L151 D168 L169 E170 N174 L175 L195	L147-M172 HydrophobicContact CB-CE 3.45Å; L147-M172 VanDerWaalsContact CB-CE 3.45Å; L147-M172 HydrophobicContact CD1-CE 4.06Å; L147-M172 HydrophobicContact CG-CE 4.38Å; L151-M172 HydrophobicContact CD1-CE 4.39Å; D168-M172 VanDerWaalsContact O-CE 3.28Å; D168-M172 WeakPolarHBondContact O-CE 3.27Å; L169-M172 HydrophobicContact CB-SD 4.38Å; L169-M172 HydrophobicContact CD2-CE 4.24Å; L169-M172 HydrophobicContact CD2-SD 3.85Å; L169-M172 PolarHBondContact O-N 3.07Å; E170-M172 VanDerWaalsContact C-N 3.25Å; E170-M172 PolarHBondContact O-N 3.44Å; M172-N174 PolarHBondContact O-N 3.36Å; M172-N174 VanDerWaalsContact O-N 3.1Å; M172-L175 HydrophobicContact CB-CB 4.03Å; M172-L175 WeakPolarHBondContact O-CB 3.42Å; M172-L175 PolarHBondContact O-N 3.29Å; M172-L175 VanDerWaalsContact O-N 3.09Å; M172-L175 HydrophobicContact SD-CD2 4.22Å; M172-L195 HydrophobicContact CB-CD2 3.92Å
173	D	95.6	Very high	95.3	Very high	57 Å²	57	43 Å²	43	31%	0.305	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.1	-174.7	-75	16.8	0	0	0	113.1	G171 K196 S197	G171-D173 PolarHBondContact O-N 3.23Å; D173-K196 IonicContact OD1-NZ 3.07Å; D173-K196 IonicContact OD2-NZ 2.66Å; D173-K196 PolarHBondContact OD2-NZ 3.11Å; D173-S197 VanDerWaalsContact O-CB 3.22Å; D173-S197 WeakPolarHBondContact O-CB 3.45Å; D173-S197 PolarHBondContact O-N 2.86Å; D173-S197 PolarHBondContact O-OG 2.65Å
174	N	97.6	Very high	95.5	Very high	82 Å²	82	40.8 Å²	40.8	44%	0.439	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-0.9	-179.1	-65	-35	0	0	0	114	L151 R152 M172 T176	L151-N174 CarbonylContact O-C 3.38Å; R152-N174 HydrophobicContact CG-CB 4.48Å; M172-N174 PolarHBondContact O-N 3.36Å; M172-N174 VanDerWaalsContact O-N 3.1Å; N174-T176 PolarHBondContact O-N 3.28Å
175	L	98.4	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.			trans	-67.8	122.7	-178.4	-169.7	69.3	0	0	0	109.7	L151 L154 M172 L178 L195 S197 L198	L151-L175 HydrophobicContact CB-CD1 4.2Å; L151-L175 WeakPolarHBondContact O-CA 3.22Å; L151-L175 PolarHBondContact O-N 3.41Å; L154-L175 HydrophobicContact CB-CD1 3.86Å; M172-L175 HydrophobicContact CB-CB 4.03Å; M172-L175 WeakPolarHBondContact O-CB 3.42Å; M172-L175 PolarHBondContact O-N 3.29Å; M172-L175 VanDerWaalsContact O-N 3.09Å; M172-L175 HydrophobicContact SD-CD2 4.22Å; L175-L178 HydrophobicContact CD2-CB 4.16Å; L175-L178 HydrophobicContact CD2-CD2 4.43Å; L175-L195 HydrophobicContact CD2-CD1 4.46Å; L175-L195 HydrophobicContact CD2-CD2 4.41Å; L175-S197 CarbonylContact O-C 3.58Å; L175-L198 HydrophobicContact CB-CD1 4.48Å; L175-L198 HydrophobicContact CD2-CD1 4.11Å; L175-L198 HydrophobicContact CG-CD1 3.96Å; L175-L198 WeakPolarHBondContact O-CA 3.2Å; L175-L198 PolarHBondContact O-N 3.38Å
176	T	98.6	Very high	95.9	Very high	44 Å²	44	40.2 Å²	40.2	27%	0.27	23%	0.225	S	C	.	.			trans	-107	-31	-177.2	59.1	0	0	0	0	113.1	R152 N174 S197 T199 L200	R152-T176 WeakPolarHBondContact O-CA 3.42Å; R152-T176 PolarHBondContact O-N 3.16Å; R152-T176 PolarHBondContact O-OG1 2.99Å; N174-T176 PolarHBondContact O-N 3.28Å; T176-S197 WeakPolarHBondContact CA-O 3.05Å; T176-T199 PolarHBondContact O-N 3Å; T176-T199 PolarHBondContact O-OG1 2.99Å; T176-L200 PolarHBondContact O-N 3.4Å; T176-L200 VanDerWaalsContact O-N 3.14Å
177	I	98.8	Very high	95.9	Very high	40 Å²	40	40 Å²	40	21%	0.205	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.6	-176.8	-60.4	172.8	0	0	0	108.3	R152 D153 L154 L200	R152-I177 PolarHBondContact O-N 3.36Å; R152-I177 VanDerWaalsContact O-N 3.08Å; D153-I177 HydrophobicContact CB-CB 4.42Å; L154-I177 PolarHBondContact N-O 3.47Å; L154-I177 VanDerWaalsContact N-O 3.09Å; I177-L200 HydrophobicContact CG1-CB 4.49Å; I177-L200 HydrophobicContact CG2-CD2 4.39Å
178	L	98.6	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	113.4	171.7	178.6	56.6	0	0	0	109.6	L154 L169 L175 L180 L198 L200 L201 D202	L154-L178 HydrophobicContact CB-CD1 4.22Å; L154-L178 HydrophobicContact CD2-CD1 4.03Å; L154-L178 HydrophobicContact CG-CD1 4.14Å; L169-L178 HydrophobicContact CD1-CD2 3.71Å; L169-L178 HydrophobicContact CD2-CD2 4.47Å; L175-L178 HydrophobicContact CD2-CB 4.16Å; L175-L178 HydrophobicContact CD2-CD2 4.43Å; L178-L180 HydrophobicContact CD1-CD1 4.15Å; L178-L180 HydrophobicContact CD1-CG 4.11Å; L178-L180 HydrophobicContact CD2-CD1 3.93Å; L178-L180 HydrophobicContact CG-CD1 3.97Å; L178-L180 HydrophobicContact CG-CG 4.23Å; L178-L198 HydrophobicContact CB-CD1 3.9Å; L178-L200 PolarHBondContact N-O 3.3Å; L178-L201 HydrophobicContact CB-CD1 4.13Å; L178-L201 HydrophobicContact CD2-CD1 3.87Å; L178-L201 HydrophobicContact CG-CD1 4.03Å; L178-D202 PolarHBondContact O-N 3.32Å
179	H	98.8	Very high	94.7	Very high	31 Å²	31	37.3 Å²	37.3	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.4	173.4	-70	-168.5	0	0	0	110.3	L154 R155 L156 D157 H181 L200	L154-H179 PolarHBondContact O-N 2.79Å; L154-H179 VanDerWaalsContact O-N 3.07Å; R155-H179 HydrophobicContact CB-CB 4.47Å; R155-H179 HydrophobicContact CG-CB 4.39Å; L156-H179 PolarHBondContact N-O 2.67Å; D157-H179 HydrophobicContact CB-CB 4.28Å; D157-H179 PolarHBondContact N-O 3.27Å; D157-H179 WeakPolarHBondContact OD1-CB 3.14Å; D157-H179 IonicContact OD1-ND1 3.72Å; H179-H181 AromaticContact ND1-CE1 3.94Å; H179-L200 WeakPolarHBondContact NE2-CD2 3.36Å
180	L	98.6	Very high	93.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.21	C	C	.	.			trans	-132.9	10.7	177.8	-77.4	165.6	0	0	0	111.6	I143 L156 I161 V164 L178 N183 M188 D202 I203 N206	I143-L180 HydrophobicContact CD1-CD2 4.49Å; L156-L180 HydrophobicContact CB-CD2 3.82Å; L156-L180 HydrophobicContact CD1-CD2 4.07Å; I161-L180 HydrophobicContact CD1-CD2 4.1Å; V164-L180 HydrophobicContact CG2-CD1 4.19Å; L178-L180 HydrophobicContact CD1-CD1 4.15Å; L178-L180 HydrophobicContact CD1-CG 4.11Å; L178-L180 HydrophobicContact CD2-CD1 3.93Å; L178-L180 HydrophobicContact CG-CD1 3.97Å; L178-L180 HydrophobicContact CG-CG 4.23Å; L180-N183 PolarHBondContact O-ND2 2.95Å; L180-M188 HydrophobicContact CD1-CE 3.68Å; L180-D202 CarbonylContact C-O 3.45Å; L180-D202 WeakPolarHBondContact CA-O 3.47Å; L180-D202 PolarHBondContact N-O 3.37Å; L180-I203 HydrophobicContact CB-CG2 4.15Å; L180-I203 HydrophobicContact CD1-CG2 4.33Å; L180-N206 PolarHBondContact O-ND2 3.05Å
181	H	98.8	Very high	93.4	Very high	28 Å²	28	35 Å²	35	13%	0.13	21%	0.207	C	C	.	.			trans	-62.2	159.3	178.4	62	-107.5	0	0	0	112.6	D157 H158 H179 N183 D202 S204	D157-H181 CarbonylContact C-O 3.31Å; D157-H181 WeakPolarHBondContact CA-O 3.41Å; D157-H181 WeakPolarHBondContact CB-CD2 3.5Å; D157-H181 VanDerWaalsContact CB-NE2 3.33Å; D157-H181 WeakPolarHBondContact CB-NE2 3.45Å; D157-H181 VanDerWaalsContact CB-O 3.22Å; D157-H181 WeakPolarHBondContact CB-O 3.31Å; D157-H181 IonicContact OD2-NE2 3.62Å; H158-H181 AromaticContact CE1-CD2 3.59Å; H158-H181 AromaticContact CE1-NE2 3.41Å; H158-H181 PolarHBondContact CE1-NE2 3.07Å; H158-H181 PolarHBondContact N-O 3.17Å; H158-H181 AromaticContact ND1-CD2 3.86Å; H158-H181 AromaticContact ND1-NE2 3.69Å; H179-H181 AromaticContact ND1-CE1 3.94Å; H181-N183 PolarHBondContact O-N 3.05Å; H181-N183 PolarHBondContact O-ND2 2.9Å; H181-D202 IonicContact CE1-OD2 3.99Å; H181-D202 IonicContact CG-OD2 3.38Å; H181-D202 PolarHBondContact N-O 3.16Å; H181-D202 IonicContact ND1-OD1 3.97Å; H181-D202 IonicContact ND1-OD2 2.95Å; H181-D202 PolarHBondContact ND1-OD2 3.18Å; H181-S204 WeakPolarHBondContact CA-O 3.45Å; H181-S204 WeakPolarHBondContact CB-O 3.37Å; H181-S204 WeakPolarHBondContact CB-OG 3.38Å
182	D	98.8	Very high	93.3	Very high	55 Å²	55	34 Å²	34	29%	0.294	20%	0.195	S	C	.	.	S	Bend	trans	56.4	53.4	179.4	-70.1	-89.4	0	0	0	111.8	H158 N159 S204 N205	H158-D182 WeakPolarHBondContact CA-O 3.49Å; H158-D182 HydrophobicContact CB-CB 4.47Å; H158-D182 IonicContact CE1-OD2 2.75Å; H158-D182 PolarHBondContact N-O 2.94Å; H158-D182 IonicContact NE2-OD2 3.32Å; N159-D182 PolarHBondContact N-O 2.89Å; D182-S204 PolarHBondContact N-O 3.28Å; D182-N205 WeakPolarHBondContact CA-O 3.34Å; D182-N205 PolarHBondContact N-O 3.23Å; D182-N205 PolarHBondContact OD1-ND2 3.42Å
183	N	98.8	Very high	93.1	Very high	10 Å²	10	39 Å²	39	5%	0.053	22%	0.216	C	C	.	.	S	Bend	trans	-129.9	-170.5	174.8	-87.4	-80.5	0	0	0	110.3	L156 N159 R160 I161 L180 H181 V185 N205 N206	L156-N183 PolarHBondContact O-ND2 2.92Å; N159-N183 WeakPolarHBondContact CA-OD1 3.46Å; N159-N183 WeakPolarHBondContact CB-OD1 3.41Å; N159-N183 PolarHBondContact O-OD1 3.05Å; R160-N183 PolarHBondContact N-OD1 3.34Å; I161-N183 HydrophobicContact CB-CB 4.36Å; I161-N183 VanDerWaalsContact CB-OD1 3.3Å; I161-N183 WeakPolarHBondContact CB-OD1 3.19Å; I161-N183 WeakPolarHBondContact CG1-OD1 3.48Å; I161-N183 PolarHBondContact N-OD1 3.39Å; L180-N183 PolarHBondContact O-ND2 2.95Å; H181-N183 PolarHBondContact O-N 3.05Å; H181-N183 PolarHBondContact O-ND2 2.9Å; N183-V185 HydrophobicContact CB-CG2 4.09Å; N183-N205 PolarHBondContact N-O 2.68Å; N183-N206 WeakPolarHBondContact CA-OD1 3.43Å; N183-N206 WeakPolarHBondContact CB-OD1 3.14Å; N183-N206 PolarHBondContact O-OD1 3.44Å
184	E	98.4	Very high	92.8	Very high	69 Å²	69	38.8 Å²	38.8	32%	0.322	22%	0.223	S	C	.	.			trans	-114	27.6	-180	-58.9	-163.6	-158.4	0	0	112.1	I161 T186 N206 K207	I161-E184 CarbonylContact O-C 3.34Å; I161-E184 WeakPolarHBondContact O-CA 3.26Å; I161-E184 PolarHBondContact O-N 3.39Å; E184-T186 PolarHBondContact O-N 2.97Å; E184-T186 VanDerWaalsContact O-N 3.12Å; E184-N206 PolarHBondContact N-OD1 3.41Å; E184-K207 HydrophobicContact CB-CD 4.23Å; E184-K207 IonicContact OE2-NZ 3.88Å; E184-K207 PolarHBondContact OE2-NZ 3.29Å
185	V	97.9	Very high	92.7	Very high	4 Å²	4	35 Å²	35	2%	0.024	20%	0.203	C	C	.	.			trans	-65.9	117.4	-170.9	-175.8	0	0	0	0	109.5	I161 E162 V164 N183 M188 N206 K207 L208	I161-V185 HydrophobicContact CB-CG2 4.44Å; I161-V185 HydrophobicContact CG2-CG2 4.17Å; I161-V185 WeakPolarHBondContact O-CA 3.16Å; I161-V185 WeakPolarHBondContact O-CG2 3.41Å; I161-V185 PolarHBondContact O-N 3.01Å; E162-V185 WeakPolarHBondContact O-CA 3.33Å; V164-V185 HydrophobicContact CG2-CG1 4.27Å; V164-V185 HydrophobicContact CG2-CG2 4.34Å; N183-V185 HydrophobicContact CB-CG2 4.09Å; V185-M188 HydrophobicContact CG1-CB 4.28Å; V185-N206 HydrophobicContact CB-CB 4.33Å; V185-N206 VanDerWaalsContact CB-OD1 3.23Å; V185-N206 WeakPolarHBondContact CB-OD1 3.44Å; V185-N206 VanDerWaalsContact CG2-OD1 3.25Å; V185-N206 WeakPolarHBondContact CG2-OD1 3.5Å; V185-N206 PolarHBondContact N-OD1 3.07Å; V185-K207 CarbonylContact O-C 3.52Å; V185-K207 VanDerWaalsContact O-CA 3.29Å; V185-K207 WeakPolarHBondContact O-CA 3.18Å; V185-K207 PolarHBondContact O-N 3.49Å; V185-L208 HydrophobicContact CB-CD2 4.43Å; V185-L208 HydrophobicContact CG1-CD2 3.81Å; V185-L208 PolarHBondContact O-N 3.43Å; V185-L208 VanDerWaalsContact O-N 3.15Å
186	T	95.5	Very high	92.5	Very high	69 Å²	69	40.8 Å²	40.8	42%	0.423	23%	0.228	S	C	.	.			trans	-101.1	-27.6	177	52.3	0	0	0	0	112.3	E162 E184 K207	E162-T186 PolarHBondContact O-N 2.67Å; E162-T186 PolarHBondContact O-OG1 3.46Å; E184-T186 PolarHBondContact O-N 2.97Å; E184-T186 VanDerWaalsContact O-N 3.12Å; T186-K207 HydrophobicContact CG2-CB 3.76Å; T186-K207 HydrophobicContact CG2-CD 4.3Å
187	D	87.9	Confident	92.5	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-135.8	118.4	-175.4	-169.7	-1.6	0	0	0	110.6	K163 V164 A189	K163-D187 HydrophobicContact CG-CB 4.47Å; V164-D187 PolarHBondContact N-O 2.74Å; V164-D187 VanDerWaalsContact N-O 3.16Å; D187-A189 WeakPolarHBondContact OD1-CB 3.22Å; D187-A189 PolarHBondContact OD1-N 3.32Å
188	M	86.4	Confident	92.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	22%	0.219	C	C	.	.			trans	-133	34.1	172	-162.1	176.9	-156.1	0	0	109.5	V164 L180 V185 T190 L192 I203 L208 P212	V164-M188 HydrophobicContact CB-CE 4.34Å; V164-M188 HydrophobicContact CB-CG 4.13Å; V164-M188 HydrophobicContact CG1-CE 4.1Å; V164-M188 HydrophobicContact CG2-CE 4.3Å; L180-M188 HydrophobicContact CD1-CE 3.68Å; V185-M188 HydrophobicContact CG1-CB 4.28Å; M188-T190 PolarHBondContact O-N 2.89Å; M188-L192 HydrophobicContact CE-CD1 3.8Å; M188-L192 HydrophobicContact CE-CD2 4.21Å; M188-L192 HydrophobicContact SD-CD1 4.34Å; M188-I203 HydrophobicContact CE-CG2 4.08Å; M188-I203 HydrophobicContact SD-CD1 4.21Å; M188-I203 HydrophobicContact SD-CG2 3.84Å; M188-L208 HydrophobicContact CB-CD2 3.87Å; M188-P212 HydrophobicContact CG-CG 4.2Å; M188-P212 WeakPolarHBondContact O-CA 3.38Å; M188-P212 HydrophobicContact SD-CG 3.98Å
189	A	69.8	Low	92.4	Very high	56 Å²	56	41 Å²	41	46%	0.463	23%	0.233	S	C	.	.			trans	-70.2	42	175.1	0	0	0	0	0	112.5	D187	D187-A189 WeakPolarHBondContact OD1-CB 3.22Å; D187-A189 PolarHBondContact OD1-N 3.32Å
190	T	75.9	Confident	92.4	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.067	23%	0.232	C	C	.	.	S	Bend	trans	-104.1	138.5	175.4	-69.9	0	0	0	0	107.5	V164 P166 M188 L192	V164-T190 PolarHBondContact O-OG1 2.81Å; V164-T190 VanDerWaalsContact O-OG1 3.06Å; P166-T190 HydrophobicContact CB-CG2 3.98Å; P166-T190 VanDerWaalsContact CD-OG1 3.24Å; P166-T190 WeakPolarHBondContact CD-OG1 3.4Å; P166-T190 HydrophobicContact CG-CG2 3.91Å; M188-T190 PolarHBondContact O-N 2.89Å; T190-L192 HydrophobicContact CG2-CD2 4.31Å; T190-L192 PolarHBondContact O-N 3.02Å
191	S	80.3	Confident	92.4	Very high	67 Å²	67	40.7 Å²	40.7	47%	0.469	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-70.5	110.1	168	-179.8	0	0	0	0	109.7	K193	S191-K193 PolarHBondContact O-N 3.31Å; S191-K193 WeakPolarHBondContact OG-CB 3.21Å
192	L	90.8	Very high	92.4	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-83.2	0.6	174.5	-60.3	179.1	0	0	0	112.2	L169 M188 T190 A194 L195 L201 P212 A214 P216	L169-L192 HydrophobicContact CD1-CD2 4.03Å; M188-L192 HydrophobicContact CE-CD1 3.8Å; M188-L192 HydrophobicContact CE-CD2 4.21Å; M188-L192 HydrophobicContact SD-CD1 4.34Å; T190-L192 HydrophobicContact CG2-CD2 4.31Å; T190-L192 PolarHBondContact O-N 3.02Å; L192-A194 PolarHBondContact O-N 3.23Å; L192-L195 HydrophobicContact CB-CD1 4.36Å; L192-L195 HydrophobicContact CD2-CD1 4.16Å; L192-L195 WeakPolarHBondContact O-CB 3.39Å; L192-L195 PolarHBondContact O-N 2.79Å; L192-L201 HydrophobicContact CD1-CD2 3.57Å; L192-P212 HydrophobicContact CD1-CB 4.09Å; L192-P212 HydrophobicContact CD1-CG 4.01Å; L192-P212 HydrophobicContact CG-CB 4.34Å; L192-A214 PolarHBondContact N-O 3.01Å; L192-P216 HydrophobicContact CB-CG 4.3Å; L192-P216 WeakPolarHBondContact O-CG 3.44Å
193	K	90	Very high	92.4	Very high	109 Å²	109	37.7 Å²	37.7	47%	0.474	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-54.8	-26.7	-178.8	-171.9	170.8	-178	166.7	0	113.6	S191 L195 A214 E217	S191-K193 PolarHBondContact O-N 3.31Å; S191-K193 WeakPolarHBondContact OG-CB 3.21Å; K193-L195 PolarHBondContact O-N 2.85Å; K193-A214 HydrophobicContact CB-CB 4.11Å; K193-E217 WeakPolarHBondContact CE-OE1 3.3Å; K193-E217 IonicContact NZ-OE1 2.71Å; K193-E217 PolarHBondContact NZ-OE1 3Å
194	A	90.5	Very high	92.4	Very high	53 Å²	53	37.7 Å²	37.7	44%	0.438	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-67.4	-19.3	178.5	0	0	0	0	0	114	L192 K196	L192-A194 PolarHBondContact O-N 3.23Å; A194-K196 VanDerWaalsContact C-N 3.26Å; A194-K196 PolarHBondContact O-N 3.33Å
195	L	94.9	Very high	92.4	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	22%	0.22	C	C	.	.			trans	-80.3	69.3	-178.1	-56	176.6	0	0	0	111.4	L169 M172 L175 L192 K193 S197 L198 P216	L169-L195 HydrophobicContact CB-CD2 4.18Å; L169-L195 HydrophobicContact CD1-CD1 4.21Å; M172-L195 HydrophobicContact CB-CD2 3.92Å; L175-L195 HydrophobicContact CD2-CD1 4.46Å; L175-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 HydrophobicContact CB-CD1 4.36Å; L192-L195 HydrophobicContact CD2-CD1 4.16Å; L192-L195 WeakPolarHBondContact O-CB 3.39Å; L192-L195 PolarHBondContact O-N 2.79Å; K193-L195 PolarHBondContact O-N 2.85Å; L195-S197 PolarHBondContact O-N 3.44Å; L195-L198 HydrophobicContact CB-CB 3.89Å; L195-L198 HydrophobicContact CB-CD2 4.47Å; L195-L198 HydrophobicContact CD1-CD2 3.97Å; L195-L198 WeakPolarHBondContact O-CB 3.25Å; L195-L198 PolarHBondContact O-N 2.94Å; L195-P216 HydrophobicContact CB-CG 4.23Å; L195-P216 WeakPolarHBondContact O-CB 3.12Å
196	K	94.5	Very high	92.4	Very high	121 Å²	121	38.2 Å²	38.2	53%	0.526	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.8	-168.5	-64.4	169.1	-166.9	154.4	0	114.8	D173 A194 H218	D173-K196 IonicContact OD1-NZ 3.07Å; D173-K196 IonicContact OD2-NZ 2.66Å; D173-K196 PolarHBondContact OD2-NZ 3.11Å; A194-K196 VanDerWaalsContact C-N 3.26Å; A194-K196 PolarHBondContact O-N 3.33Å; K196-H218 PolarHBondContact O-CD2 2.85Å
197	S	97.6	Very high	92.6	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2.7	-178.7	-55.2	0	0	0	0	113.8	D173 L175 T176 L195 T199	D173-S197 VanDerWaalsContact O-CB 3.22Å; D173-S197 WeakPolarHBondContact O-CB 3.45Å; D173-S197 PolarHBondContact O-N 2.86Å; D173-S197 PolarHBondContact O-OG 2.65Å; L175-S197 CarbonylContact O-C 3.58Å; T176-S197 WeakPolarHBondContact CA-O 3.05Å; L195-S197 PolarHBondContact O-N 3.44Å; S197-T199 WeakPolarHBondContact O-CG2 3.39Å; S197-T199 PolarHBondContact O-N 3.28Å
198	L	98.1	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.			trans	-70.8	122.7	-171.6	-162.3	75.3	0	0	0	110.8	L175 L178 L195 L201 P216 H218 L219	L175-L198 HydrophobicContact CB-CD1 4.48Å; L175-L198 HydrophobicContact CD2-CD1 4.11Å; L175-L198 HydrophobicContact CG-CD1 3.96Å; L175-L198 WeakPolarHBondContact O-CA 3.2Å; L175-L198 PolarHBondContact O-N 3.38Å; L178-L198 HydrophobicContact CB-CD1 3.9Å; L195-L198 HydrophobicContact CB-CB 3.89Å; L195-L198 HydrophobicContact CB-CD2 4.47Å; L195-L198 HydrophobicContact CD1-CD2 3.97Å; L195-L198 WeakPolarHBondContact O-CB 3.25Å; L195-L198 PolarHBondContact O-N 2.94Å; L198-L201 HydrophobicContact CD2-CB 3.97Å; L198-L201 HydrophobicContact CD2-CD1 4.41Å; L198-P216 HydrophobicContact CB-CB 4.11Å; L198-P216 HydrophobicContact CB-CG 3.9Å; L198-P216 HydrophobicContact CD2-CG 3.79Å; L198-P216 HydrophobicContact CG-CG 4.44Å; L198-H218 CarbonylContact O-C 3.56Å; L198-H218 VanDerWaalsContact O-C 3.28Å; L198-L219 HydrophobicContact CD2-CD1 4.18Å; L198-L219 HydrophobicContact CG-CD1 4.25Å; L198-L219 WeakPolarHBondContact O-CA 3.49Å; L198-L219 PolarHBondContact O-N 2.92Å
199	T	98.5	Very high	93.5	Very high	47 Å²	47	40.3 Å²	40.3	29%	0.288	23%	0.225	S	C	.	.			trans	-110.9	-30.1	-178.6	62.3	0	0	0	0	112.5	T176 S197 H220 Q221	T176-T199 PolarHBondContact O-N 3Å; T176-T199 PolarHBondContact O-OG1 2.99Å; S197-T199 WeakPolarHBondContact O-CG2 3.39Å; S197-T199 PolarHBondContact O-N 3.28Å; T199-H220 WeakPolarHBondContact O-CA 3.32Å; T199-H220 WeakPolarHBondContact O-CB 3.36Å; T199-H220 PolarHBondContact O-N 3.2Å; T199-Q221 PolarHBondContact O-N 2.8Å
200	L	98.8	Very high	94.7	Very high	24 Å²	24	44.8 Å²	44.8	13%	0.126	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.4	179.3	-172.2	165.8	0	0	0	109.2	T176 I177 L178 H179 D202 Q221	T176-L200 PolarHBondContact O-N 3.4Å; T176-L200 VanDerWaalsContact O-N 3.14Å; I177-L200 HydrophobicContact CG1-CB 4.49Å; I177-L200 HydrophobicContact CG2-CD2 4.39Å; L178-L200 PolarHBondContact N-O 3.3Å; H179-L200 WeakPolarHBondContact NE2-CD2 3.36Å; L200-D202 HydrophobicContact CD2-CB 4.02Å; L200-Q221 HydrophobicContact CB-CB 4.4Å; L200-Q221 HydrophobicContact CG-CB 4.09Å
201	L	98.4	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.8	169.5	177.1	60.2	0	0	0	109.1	L178 L192 L198 I203 L219 Q221 F222 Y223	L178-L201 HydrophobicContact CB-CD1 4.13Å; L178-L201 HydrophobicContact CD2-CD1 3.87Å; L178-L201 HydrophobicContact CG-CD1 4.03Å; L192-L201 HydrophobicContact CD1-CD2 3.57Å; L198-L201 HydrophobicContact CD2-CB 3.97Å; L198-L201 HydrophobicContact CD2-CD1 4.41Å; L201-I203 HydrophobicContact CD1-CG2 3.75Å; L201-I203 HydrophobicContact CG-CG2 4.06Å; L201-L219 HydrophobicContact CB-CD1 3.89Å; L201-Q221 PolarHBondContact N-O 3.07Å; L201-F222 HydrophobicContact CB-CD2 4.03Å; L201-F222 HydrophobicContact CB-CE2 4.49Å; L201-F222 HydrophobicContact CD2-CD2 3.92Å; L201-F222 HydrophobicContact CD2-CE2 3.58Å; L201-F222 HydrophobicContact CD2-CZ 4.47Å; L201-F222 HydrophobicContact CG-CD2 3.99Å; L201-F222 HydrophobicContact CG-CE2 3.94Å; L201-F222 WeakPolarHBondContact O-CA 3.32Å; L201-Y223 PolarHBondContact O-N 2.83Å
202	D	98.8	Very high	96.3	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.091	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	111	175.3	-172.6	-2.5	0	0	0	110.2	L178 L180 H181 L200 S204 Y223	L178-D202 PolarHBondContact O-N 3.32Å; L180-D202 CarbonylContact C-O 3.45Å; L180-D202 WeakPolarHBondContact CA-O 3.47Å; L180-D202 PolarHBondContact N-O 3.37Å; H181-D202 IonicContact CE1-OD2 3.99Å; H181-D202 IonicContact CG-OD2 3.38Å; H181-D202 PolarHBondContact N-O 3.16Å; H181-D202 IonicContact ND1-OD1 3.97Å; H181-D202 IonicContact ND1-OD2 2.95Å; H181-D202 PolarHBondContact ND1-OD2 3.18Å; L200-D202 HydrophobicContact CD2-CB 4.02Å; D202-S204 VanDerWaalsContact OD1-CB 3.32Å; D202-S204 WeakPolarHBondContact OD1-CB 3.43Å; D202-S204 PolarHBondContact OD1-N 3.06Å; D202-S204 PolarHBondContact OD1-OG 2.96Å; D202-Y223 HydrophobicContact CB-CD2 4.2Å
203	I	98.3	Very high	96.1	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.015	24%	0.239	C	C	.	.			trans	-124.1	22.8	178.1	61.7	178.3	0	0	0	110.5	L180 M188 L201 N206 L208 P212 F222 Y223 M224 N227	L180-I203 HydrophobicContact CB-CG2 4.15Å; L180-I203 HydrophobicContact CD1-CG2 4.33Å; M188-I203 HydrophobicContact CE-CG2 4.08Å; M188-I203 HydrophobicContact SD-CD1 4.21Å; M188-I203 HydrophobicContact SD-CG2 3.84Å; L201-I203 HydrophobicContact CD1-CG2 3.75Å; L201-I203 HydrophobicContact CG-CG2 4.06Å; I203-N206 PolarHBondContact O-ND2 3.06Å; I203-L208 HydrophobicContact CB-CD1 4.24Å; I203-L208 HydrophobicContact CD1-CD1 3.61Å; I203-L208 HydrophobicContact CG1-CD1 4.09Å; I203-P212 HydrophobicContact CD1-CG 4.37Å; I203-F222 HydrophobicContact CD1-CE2 3.59Å; I203-F222 HydrophobicContact CD1-CZ 3.86Å; I203-F222 HydrophobicContact CG1-CE2 3.92Å; I203-Y223 VanDerWaalsContact CG1-O 3.31Å; I203-Y223 WeakPolarHBondContact CG1-O 3.39Å; I203-Y223 PolarHBondContact N-O 3.24Å; I203-M224 HydrophobicContact CD1-CB 4.02Å; I203-M224 HydrophobicContact CG1-CB 3.64Å; I203-N227 PolarHBondContact O-ND2 2.81Å
204	S	98.8	Very high	96.2	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.07	23%	0.227	C	C	.	.			trans	-63.6	161.8	177.1	60.7	0	0	0	0	112.3	H181 D182 D202 N206 Y223 E225	H181-S204 WeakPolarHBondContact CA-O 3.45Å; H181-S204 WeakPolarHBondContact CB-O 3.37Å; H181-S204 WeakPolarHBondContact CB-OG 3.38Å; D182-S204 PolarHBondContact N-O 3.28Å; D202-S204 VanDerWaalsContact OD1-CB 3.32Å; D202-S204 WeakPolarHBondContact OD1-CB 3.43Å; D202-S204 PolarHBondContact OD1-N 3.06Å; D202-S204 PolarHBondContact OD1-OG 2.96Å; S204-N206 PolarHBondContact O-N 3.11Å; S204-N206 PolarHBondContact O-ND2 3.03Å; S204-Y223 PolarHBondContact N-O 3.1Å; S204-E225 CarbonylContact C-O 3.54Å; S204-E225 WeakPolarHBondContact CA-O 3.38Å; S204-E225 WeakPolarHBondContact CB-O 3.27Å
205	N	98.8	Very high	96.4	Very high	71 Å²	71	40.7 Å²	40.7	38%	0.38	21%	0.209	S	C	.	.	S	Bend	trans	48.8	58.6	179.2	-159.2	34.8	0	0	0	113.7	D182 N183 E225 F226	D182-N205 WeakPolarHBondContact CA-O 3.34Å; D182-N205 PolarHBondContact N-O 3.23Å; D182-N205 PolarHBondContact OD1-ND2 3.42Å; N183-N205 PolarHBondContact N-O 2.68Å; N205-E225 PolarHBondContact N-O 3.3Å; N205-F226 VanDerWaalsContact CA-O 3.25Å; N205-F226 WeakPolarHBondContact CA-O 3.14Å; N205-F226 HydrophobicContact CB-CB 4.23Å; N205-F226 PolarHBondContact N-O 3.14Å
206	N	98.8	Very high	96.3	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-130.4	-168.3	178.7	-90.3	-80.6	0	0	0	109.9	L180 N183 E184 V185 I203 S204 L208 F226 N227	L180-N206 PolarHBondContact O-ND2 3.05Å; N183-N206 WeakPolarHBondContact CA-OD1 3.43Å; N183-N206 WeakPolarHBondContact CB-OD1 3.14Å; N183-N206 PolarHBondContact O-OD1 3.44Å; E184-N206 PolarHBondContact N-OD1 3.41Å; V185-N206 HydrophobicContact CB-CB 4.33Å; V185-N206 VanDerWaalsContact CB-OD1 3.23Å; V185-N206 WeakPolarHBondContact CB-OD1 3.44Å; V185-N206 VanDerWaalsContact CG2-OD1 3.25Å; V185-N206 WeakPolarHBondContact CG2-OD1 3.5Å; V185-N206 PolarHBondContact N-OD1 3.07Å; I203-N206 PolarHBondContact O-ND2 3.06Å; S204-N206 PolarHBondContact O-N 3.11Å; S204-N206 PolarHBondContact O-ND2 3.03Å; N206-L208 HydrophobicContact CB-CG 4.35Å; N206-F226 PolarHBondContact N-O 3.2Å; N206-N227 WeakPolarHBondContact CA-OD1 3.31Å; N206-N227 WeakPolarHBondContact CB-OD1 3.35Å; N206-N227 PolarHBondContact N-OD1 3.36Å; N206-N227 PolarHBondContact O-OD1 2.91Å
207	K	98.3	Very high	96.2	Very high	99 Å²	99	39.9 Å²	39.9	43%	0.43	21%	0.207	S	C	.	.			trans	-113.6	27.9	-178.9	-61.1	176.8	-176.7	171.6	0	111.9	E184 V185 T186 N227	E184-K207 HydrophobicContact CB-CD 4.23Å; E184-K207 IonicContact OE2-NZ 3.88Å; E184-K207 PolarHBondContact OE2-NZ 3.29Å; V185-K207 CarbonylContact O-C 3.52Å; V185-K207 VanDerWaalsContact O-CA 3.29Å; V185-K207 WeakPolarHBondContact O-CA 3.18Å; V185-K207 PolarHBondContact O-N 3.49Å; T186-K207 HydrophobicContact CG2-CB 3.76Å; T186-K207 HydrophobicContact CG2-CD 4.3Å; K207-N227 PolarHBondContact N-OD1 3.26Å
208	L	97.6	Very high	96.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.212	C	C	.	.			trans	-70.1	132.6	-175.4	-66	168.7	0	0	0	110.9	V185 M188 I203 N206 N227 S228 I229	V185-L208 HydrophobicContact CB-CD2 4.43Å; V185-L208 HydrophobicContact CG1-CD2 3.81Å; V185-L208 PolarHBondContact O-N 3.43Å; V185-L208 VanDerWaalsContact O-N 3.15Å; M188-L208 HydrophobicContact CB-CD2 3.87Å; I203-L208 HydrophobicContact CB-CD1 4.24Å; I203-L208 HydrophobicContact CD1-CD1 3.61Å; I203-L208 HydrophobicContact CG1-CD1 4.09Å; N206-L208 HydrophobicContact CB-CG 4.35Å; L208-N227 HydrophobicContact CB-CB 4.21Å; L208-N227 VanDerWaalsContact CB-OD1 3.26Å; L208-N227 WeakPolarHBondContact CB-OD1 3.45Å; L208-N227 WeakPolarHBondContact CG-OD1 3.16Å; L208-N227 PolarHBondContact N-OD1 3.09Å; L208-S228 CarbonylContact O-C 3.49Å; L208-S228 VanDerWaalsContact O-CA 3.23Å; L208-S228 WeakPolarHBondContact O-CA 3.47Å; L208-S228 WeakPolarHBondContact O-CB 3.48Å; L208-S228 PolarHBondContact O-N 2.8Å; L208-I229 HydrophobicContact CB-CG1 4.27Å; L208-I229 PolarHBondContact O-N 3.1Å
209	I	96.6	Very high	96.1	Very high	96 Å²	96	42.1 Å²	42.1	49%	0.492	21%	0.212	S	C	.	.	S	Bend	trans	-99.9	-21.4	172.2	-58.4	169.2	0	0	0	110.7	I229	I209-I229 WeakPolarHBondContact O-CA 3.03Å
210	K	95.2	Very high	96.1	Very high	150 Å²	150	42.1 Å²	42.1	65%	0.652	21%	0.209	S	C	*	.	S	Bend	trans	-133.6	151.6	-179.8	-65.1	-179	-179.8	179.8	0	110
211	V	95.6	Very high	96.1	Very high	8 Å²	8	44 Å²	44	5%	0.048	22%	0.217	C	C	.	.			trans	-72.8	160.6	168.4	-62.8	0	0	0	0	111.3	M224 I229 L232 P233 F236	V211-M224 HydrophobicContact CG1-CE 3.72Å; V211-M224 HydrophobicContact CG1-SD 3.73Å; V211-I229 HydrophobicContact CG1-CD1 4.04Å; V211-I229 HydrophobicContact CG1-CG2 3.94Å; V211-L232 HydrophobicContact CB-CD2 4.47Å; V211-L232 HydrophobicContact CG1-CD2 3.48Å; V211-L232 VanDerWaalsContact CG1-CD2 3.48Å; V211-L232 HydrophobicContact CG2-CD2 4.16Å; V211-P233 HydrophobicContact CG2-CG 4.08Å; V211-F236 HydrophobicContact CB-CE1 4.07Å; V211-F236 HydrophobicContact CB-CE2 3.86Å; V211-F236 HydrophobicContact CB-CZ 3.5Å; V211-F236 VanDerWaalsContact CB-CZ 3.5Å; V211-F236 HydrophobicContact CG1-CE1 4.03Å; V211-F236 HydrophobicContact CG1-CZ 3.94Å; V211-F236 HydrophobicContact CG2-CD1 4.42Å; V211-F236 HydrophobicContact CG2-CD2 3.93Å; V211-F236 HydrophobicContact CG2-CE1 4.07Å; V211-F236 HydrophobicContact CG2-CE2 3.54Å; V211-F236 HydrophobicContact CG2-CG 4.36Å; V211-F236 HydrophobicContact CG2-CZ 3.62Å
212	P	93.3	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.			trans	-57.4	147	170.4	-23.4	34.1	0	0	0	112.1	M188 L192 I203 A214 L215 F236	M188-P212 HydrophobicContact CG-CG 4.2Å; M188-P212 WeakPolarHBondContact O-CA 3.38Å; M188-P212 HydrophobicContact SD-CG 3.98Å; L192-P212 HydrophobicContact CD1-CB 4.09Å; L192-P212 HydrophobicContact CD1-CG 4.01Å; L192-P212 HydrophobicContact CG-CB 4.34Å; I203-P212 HydrophobicContact CD1-CG 4.37Å; P212-A214 VanDerWaalsContact C-N 3.26Å; P212-A214 PolarHBondContact O-N 3.26Å; P212-L215 HydrophobicContact CB-CD2 4.47Å; P212-L215 HydrophobicContact CG-CD2 4.47Å; P212-F236 VanDerWaalsContact O-CE2 3.27Å; P212-F236 WeakPolarHBondContact O-CE2 3.29Å
213	D	87.9	Confident	96.1	Very high	112 Å²	112	44.7 Å²	44.7	60%	0.599	22%	0.219	S	C	*	.	S	Bend	trans	-62.1	-33	-174.7	-75	-10.1	0	0	0	113.3
214	A	90.6	Very high	96.1	Very high	28 Å²	28	44.6 Å²	44.6	23%	0.231	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-150.5	139.7	177.3	0	0	0	0	0	110.9	L192 K193 P212	L192-A214 PolarHBondContact N-O 3.01Å; K193-A214 HydrophobicContact CB-CB 4.11Å; P212-A214 VanDerWaalsContact C-N 3.26Å; P212-A214 PolarHBondContact O-N 3.26Å
215	L	94.3	Very high	96	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	22%	0.221	C	C	.	.			trans	-96.9	156.7	178.7	-63.6	176.7	0	0	0	111.8	P212 L219 F222 F236 L237 L240	P212-L215 HydrophobicContact CB-CD2 4.47Å; P212-L215 HydrophobicContact CG-CD2 4.47Å; L215-L219 HydrophobicContact CD1-CD2 4.43Å; L215-L219 HydrophobicContact CD2-CD2 4.49Å; L215-F222 HydrophobicContact CD1-CD1 3.94Å; L215-F222 HydrophobicContact CD1-CE1 3.84Å; L215-F222 HydrophobicContact CD2-CD1 4.48Å; L215-F222 HydrophobicContact CD2-CE1 3.95Å; L215-F222 HydrophobicContact CD2-CE2 4.45Å; L215-F222 HydrophobicContact CD2-CZ 3.93Å; L215-F236 HydrophobicContact CD1-CD2 4.49Å; L215-F236 HydrophobicContact CD1-CE1 3.94Å; L215-F236 HydrophobicContact CD1-CE2 3.79Å; L215-F236 HydrophobicContact CD1-CZ 3.47Å; L215-F236 VanDerWaalsContact CD1-CZ 3.47Å; L215-F236 HydrophobicContact CD2-CE2 4.26Å; L215-F236 HydrophobicContact CD2-CZ 4.1Å; L215-F236 HydrophobicContact CG-CE2 3.72Å; L215-F236 HydrophobicContact CG-CZ 3.81Å; L215-L237 HydrophobicContact CD1-CD2 3.99Å; L215-L240 HydrophobicContact CB-CD1 3.99Å; L215-L240 HydrophobicContact CB-CD2 4.48Å; L215-L240 HydrophobicContact CD1-CD1 3.66Å; L215-L240 HydrophobicContact CG-CD1 4.48Å
216	P	93.7	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.			trans	-64.4	141.8	170.6	-15.9	28.1	0	0	0	112.7	L192 L195 L198 H218 L219 L240	L192-P216 HydrophobicContact CB-CG 4.3Å; L192-P216 WeakPolarHBondContact O-CG 3.44Å; L195-P216 HydrophobicContact CB-CG 4.23Å; L195-P216 WeakPolarHBondContact O-CB 3.12Å; L198-P216 HydrophobicContact CB-CB 4.11Å; L198-P216 HydrophobicContact CB-CG 3.9Å; L198-P216 HydrophobicContact CD2-CG 3.79Å; L198-P216 HydrophobicContact CG-CG 4.44Å; P216-H218 VanDerWaalsContact C-N 3.28Å; P216-H218 PolarHBondContact O-N 3.17Å; P216-L219 WeakPolarHBondContact O-CB 3.36Å; P216-L219 PolarHBondContact O-N 3.4Å; P216-L240 WeakPolarHBondContact O-CD2 3.19Å
217	E	92.8	Very high	96	Very high	107 Å²	107	46.7 Å²	46.7	50%	0.5	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.9	-174.7	-65	-179.1	179.2	0	0	113.9	K193	K193-E217 WeakPolarHBondContact CE-OE1 3.3Å; K193-E217 IonicContact NZ-OE1 2.71Å; K193-E217 PolarHBondContact NZ-OE1 3Å
218	H	95.4	Very high	96	Very high	88 Å²	88	44.4 Å²	44.4	41%	0.407	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.8	-176.5	-69	-69.5	0	0	0	114.2	K196 L198 P216 H220 Q242	K196-H218 PolarHBondContact O-CD2 2.85Å; L198-H218 CarbonylContact O-C 3.56Å; L198-H218 VanDerWaalsContact O-C 3.28Å; P216-H218 VanDerWaalsContact C-N 3.28Å; P216-H218 PolarHBondContact O-N 3.17Å; H218-H220 PolarHBondContact O-CE1 3.42Å; H218-H220 PolarHBondContact O-N 3.25Å; H218-H220 PolarHBondContact O-ND1 3.41Å; H218-Q242 PolarHBondContact ND1-OE1 3.25Å
219	L	97.4	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	-67.2	131.1	-178.5	-160.9	67.9	0	0	0	110.9	L198 L201 L215 P216 F222 Q242 L243	L198-L219 HydrophobicContact CD2-CD1 4.18Å; L198-L219 HydrophobicContact CG-CD1 4.25Å; L198-L219 WeakPolarHBondContact O-CA 3.49Å; L198-L219 PolarHBondContact O-N 2.92Å; L201-L219 HydrophobicContact CB-CD1 3.89Å; L215-L219 HydrophobicContact CD1-CD2 4.43Å; L215-L219 HydrophobicContact CD2-CD2 4.49Å; P216-L219 WeakPolarHBondContact O-CB 3.36Å; P216-L219 PolarHBondContact O-N 3.4Å; L219-F222 HydrophobicContact CD2-CB 3.72Å; L219-F222 HydrophobicContact CD2-CD1 4.46Å; L219-F222 HydrophobicContact CD2-CD2 4.3Å; L219-F222 HydrophobicContact CD2-CG 3.92Å; L219-F222 HydrophobicContact CG-CB 4.48Å; L219-Q242 CarbonylContact O-C 3.22Å; L219-L243 HydrophobicContact CB-CD1 4.42Å; L219-L243 HydrophobicContact CD2-CD1 4.36Å; L219-L243 HydrophobicContact CG-CD1 4.24Å; L219-L243 WeakPolarHBondContact O-CA 3.26Å; L219-L243 PolarHBondContact O-N 2.96Å
220	H	98.2	Very high	96.1	Very high	48 Å²	48	43.4 Å²	43.4	22%	0.222	22%	0.215	C	C	.	.			trans	-108.1	-37	178.5	-70.4	67.6	0	0	0	112	T199 H218 Q242 Q244 Y245	T199-H220 WeakPolarHBondContact O-CA 3.32Å; T199-H220 WeakPolarHBondContact O-CB 3.36Å; T199-H220 PolarHBondContact O-N 3.2Å; H218-H220 PolarHBondContact O-CE1 3.42Å; H218-H220 PolarHBondContact O-N 3.25Å; H218-H220 PolarHBondContact O-ND1 3.41Å; H220-Q242 PolarHBondContact CE1-OE1 3.02Å; H220-Q244 PolarHBondContact O-N 3.25Å; H220-Y245 PolarHBondContact O-N 2.84Å; H220-Y245 VanDerWaalsContact O-N 3.1Å
221	Q	98.8	Very high	96.2	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.299	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.3	-176.4	-69.3	168.8	55.6	0	0	109.3	T199 L200 L201 Y223 Y245	T199-Q221 PolarHBondContact O-N 2.8Å; L200-Q221 HydrophobicContact CB-CB 4.4Å; L200-Q221 HydrophobicContact CG-CB 4.09Å; L201-Q221 PolarHBondContact N-O 3.07Å; Q221-Y223 HydrophobicContact CB-CE1 4.41Å; Q221-Y223 HydrophobicContact CB-CE2 4.3Å; Q221-Y223 PolarHBondContact OE1-OH 2.79Å; Q221-Y245 HydrophobicContact CG-CD2 3.75Å; Q221-Y245 HydrophobicContact CG-CG 4.34Å
222	F	98.3	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	113.5	177.7	-172.5	-149.5	0	0	0	111.5	L201 I203 L215 L219 M224 F236 L243 Y245 I246 R247	L201-F222 HydrophobicContact CB-CD2 4.03Å; L201-F222 HydrophobicContact CB-CE2 4.49Å; L201-F222 HydrophobicContact CD2-CD2 3.92Å; L201-F222 HydrophobicContact CD2-CE2 3.58Å; L201-F222 HydrophobicContact CD2-CZ 4.47Å; L201-F222 HydrophobicContact CG-CD2 3.99Å; L201-F222 HydrophobicContact CG-CE2 3.94Å; L201-F222 WeakPolarHBondContact O-CA 3.32Å; I203-F222 HydrophobicContact CD1-CE2 3.59Å; I203-F222 HydrophobicContact CD1-CZ 3.86Å; I203-F222 HydrophobicContact CG1-CE2 3.92Å; L215-F222 HydrophobicContact CD1-CD1 3.94Å; L215-F222 HydrophobicContact CD1-CE1 3.84Å; L215-F222 HydrophobicContact CD2-CD1 4.48Å; L215-F222 HydrophobicContact CD2-CE1 3.95Å; L215-F222 HydrophobicContact CD2-CE2 4.45Å; L215-F222 HydrophobicContact CD2-CZ 3.93Å; L219-F222 HydrophobicContact CD2-CB 3.72Å; L219-F222 HydrophobicContact CD2-CD1 4.46Å; L219-F222 HydrophobicContact CD2-CD2 4.3Å; L219-F222 HydrophobicContact CD2-CG 3.92Å; L219-F222 HydrophobicContact CG-CB 4.48Å; F222-M224 HydrophobicContact CD1-CE 4.42Å; F222-M224 HydrophobicContact CD1-SD 4.46Å; F222-M224 HydrophobicContact CE1-CE 3.74Å; F222-M224 HydrophobicContact CE1-CG 4.49Å; F222-M224 HydrophobicContact CE1-SD 3.54Å; F222-M224 VanDerWaalsContact CE1-SD 3.54Å; F222-M224 HydrophobicContact CE2-SD 4.25Å; F222-M224 HydrophobicContact CZ-CB 4.5Å; F222-M224 HydrophobicContact CZ-CE 4.24Å; F222-M224 HydrophobicContact CZ-CG 4.32Å; F222-M224 HydrophobicContact CZ-SD 3.41Å; F222-M224 WeakPolarHBondContact CZ-SD 3.29Å; F222-F236 HydrophobicContact CE1-CE1 4.04Å; F222-F236 AromaticContact CE1-CZ 3.85Å; F222-F236 HydrophobicContact CE1-CZ 3.85Å; F222-F236 HydrophobicContact CZ-CZ 4.48Å; F222-L243 HydrophobicContact CB-CD1 4.16Å; F222-Y245 PolarHBondContact N-O 3.41Å; F222-I246 WeakPolarHBondContact O-CA 3.33Å; F222-R247 PolarHBondContact O-N 2.82Å
223	Y	98.9	Very high	96.2	Very high	30 Å²	30	41.2 Å²	41.2	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.4	-176	-53.7	-37.2	0	0	0	109.9	L201 D202 I203 S204 Q221 E225 R247	L201-Y223 PolarHBondContact O-N 2.83Å; D202-Y223 HydrophobicContact CB-CD2 4.2Å; I203-Y223 VanDerWaalsContact CG1-O 3.31Å; I203-Y223 WeakPolarHBondContact CG1-O 3.39Å; I203-Y223 PolarHBondContact N-O 3.24Å; S204-Y223 PolarHBondContact N-O 3.1Å; Q221-Y223 HydrophobicContact CB-CE1 4.41Å; Q221-Y223 HydrophobicContact CB-CE2 4.3Å; Q221-Y223 PolarHBondContact OE1-OH 2.79Å; Y223-E225 WeakPolarHBondContact CB-OE2 3.47Å; Y223-R247 HydrophobicContact CD1-CB 3.95Å; Y223-R247 HydrophobicContact CD1-CG 3.87Å; Y223-R247 HydrophobicContact CE1-CG 4.15Å
224	M	98.1	Very high	96.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.229	C	C	.	.			trans	-150.4	27.7	179.4	64.2	-178.3	177.3	0	0	112.4	I203 V211 F222 N227 I229 F236 R247 M248 N251	I203-M224 HydrophobicContact CD1-CB 4.02Å; I203-M224 HydrophobicContact CG1-CB 3.64Å; V211-M224 HydrophobicContact CG1-CE 3.72Å; V211-M224 HydrophobicContact CG1-SD 3.73Å; F222-M224 HydrophobicContact CD1-CE 4.42Å; F222-M224 HydrophobicContact CD1-SD 4.46Å; F222-M224 HydrophobicContact CE1-CE 3.74Å; F222-M224 HydrophobicContact CE1-CG 4.49Å; F222-M224 HydrophobicContact CE1-SD 3.54Å; F222-M224 VanDerWaalsContact CE1-SD 3.54Å; F222-M224 HydrophobicContact CE2-SD 4.25Å; F222-M224 HydrophobicContact CZ-CB 4.5Å; F222-M224 HydrophobicContact CZ-CE 4.24Å; F222-M224 HydrophobicContact CZ-CG 4.32Å; F222-M224 HydrophobicContact CZ-SD 3.41Å; F222-M224 WeakPolarHBondContact CZ-SD 3.29Å; M224-N227 PolarHBondContact O-ND2 2.66Å; M224-N227 VanDerWaalsContact O-ND2 3.17Å; M224-I229 HydrophobicContact CB-CD1 4.27Å; M224-I229 HydrophobicContact CE-CD1 4.4Å; M224-I229 HydrophobicContact CG-CD1 4.05Å; M224-I229 HydrophobicContact SD-CD1 3.59Å; M224-I229 VanDerWaalsContact SD-CD1 3.59Å; M224-F236 HydrophobicContact CE-CE1 4.35Å; M224-R247 CarbonylContact C-O 3.4Å; M224-R247 WeakPolarHBondContact CG-O 3.22Å; M224-R247 PolarHBondContact N-O 3.09Å; M224-M248 HydrophobicContact CE-CB 4.25Å; M224-M248 HydrophobicContact CE-CE 3Å; M224-M248 HydrophobicContact CE-CG 3.34Å; M224-M248 HydrophobicContact CE-SD 3.22Å; M224-M248 WeakPolarHBondContact CE-SD 3.24Å; M224-M248 HydrophobicContact CG-CB 4.41Å; M224-M248 HydrophobicContact CG-CG 4.04Å; M224-N251 PolarHBondContact O-ND2 3.13Å
225	E	98.6	Very high	96.4	Very high	27 Å²	27	45.6 Å²	45.6	13%	0.126	24%	0.243	C	C	.	.			trans	-59.6	158.6	168.6	63	-89.5	-143	0	0	112.1	S204 N205 Y223 N227 R247 S249	S204-E225 CarbonylContact C-O 3.54Å; S204-E225 WeakPolarHBondContact CA-O 3.38Å; S204-E225 WeakPolarHBondContact CB-O 3.27Å; N205-E225 PolarHBondContact N-O 3.3Å; Y223-E225 WeakPolarHBondContact CB-OE2 3.47Å; E225-N227 PolarHBondContact O-ND2 3.09Å; E225-R247 PolarHBondContact N-O 2.87Å; E225-R247 VanDerWaalsContact OE2-CB 3.27Å; E225-R247 WeakPolarHBondContact OE2-CB 3.42Å; E225-S249 CarbonylContact C-O 3.23Å; E225-S249 WeakPolarHBondContact CA-O 3.33Å; E225-S249 VanDerWaalsContact CB-O 3.3Å; E225-S249 WeakPolarHBondContact CB-O 3.3Å; E225-S249 WeakPolarHBondContact CB-OG 3.07Å
226	F	98.8	Very high	96.3	Very high	101 Å²	101	45.8 Å²	45.8	44%	0.443	24%	0.243	S	C	.	.	S	Bend	trans	56	55.3	-179.6	-61	-80.4	0	0	0	112.6	N205 N206 S249 H250	N205-F226 VanDerWaalsContact CA-O 3.25Å; N205-F226 WeakPolarHBondContact CA-O 3.14Å; N205-F226 HydrophobicContact CB-CB 4.23Å; N205-F226 PolarHBondContact N-O 3.14Å; N206-F226 PolarHBondContact N-O 3.2Å; F226-S249 PolarHBondContact N-O 2.97Å; F226-H250 WeakPolarHBondContact CA-O 3.47Å; F226-H250 HydrophobicContact CD1-CB 3.56Å; F226-H250 AromaticContact CD1-CG 3.74Å; F226-H250 HydrophobicContact CE1-CB 3.73Å; F226-H250 AromaticContact CE1-CD2 3.44Å; F226-H250 VanDerWaalsContact CE1-CD2 3.44Å; F226-H250 WeakPolarHBondContact CE1-CD2 3.38Å; F226-H250 AromaticContact CE1-CE1 3.88Å; F226-H250 AromaticContact CE1-CG 3.33Å; F226-H250 AromaticContact CE1-ND1 3.63Å; F226-H250 AromaticContact CE1-NE2 3.79Å; F226-H250 AromaticContact CE2-CD2 3.97Å; F226-H250 HydrophobicContact CG-CB 4.02Å; F226-H250 HydrophobicContact CZ-CB 4.31Å; F226-H250 AromaticContact CZ-CD2 3.32Å; F226-H250 WeakPolarHBondContact CZ-CD2 3.18Å; F226-H250 AromaticContact CZ-CG 3.75Å; F226-H250 AromaticContact CZ-NE2 3.64Å; F226-H250 PolarHBondContact N-O 3.02Å
227	N	98.8	Very high	96.4	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.059	24%	0.244	C	C	.	.	S	Bend	trans	-128.2	-167.5	171.1	-84.6	-78.4	0	0	0	109	I203 N206 K207 L208 M224 E225 I229 H250 N251	I203-N227 PolarHBondContact O-ND2 2.81Å; N206-N227 WeakPolarHBondContact CA-OD1 3.31Å; N206-N227 WeakPolarHBondContact CB-OD1 3.35Å; N206-N227 PolarHBondContact N-OD1 3.36Å; N206-N227 PolarHBondContact O-OD1 2.91Å; K207-N227 PolarHBondContact N-OD1 3.26Å; L208-N227 HydrophobicContact CB-CB 4.21Å; L208-N227 VanDerWaalsContact CB-OD1 3.26Å; L208-N227 WeakPolarHBondContact CB-OD1 3.45Å; L208-N227 WeakPolarHBondContact CG-OD1 3.16Å; L208-N227 PolarHBondContact N-OD1 3.09Å; M224-N227 PolarHBondContact O-ND2 2.66Å; M224-N227 VanDerWaalsContact O-ND2 3.17Å; E225-N227 PolarHBondContact O-ND2 3.09Å; N227-I229 HydrophobicContact CB-CD1 4.05Å; N227-I229 HydrophobicContact CB-CG1 4.07Å; N227-H250 PolarHBondContact N-O 3.24Å; N227-N251 WeakPolarHBondContact CA-OD1 3.45Å; N227-N251 WeakPolarHBondContact CB-OD1 2.88Å; N227-N251 PolarHBondContact O-OD1 3.25Å
228	S	98.2	Very high	96.2	Very high	51 Å²	51	43.3 Å²	43.3	36%	0.357	25%	0.246	S	C	.	.			trans	-119.2	31.7	176.7	-63.6	0	0	0	0	111.9	L208 D230 N251	L208-S228 CarbonylContact O-C 3.49Å; L208-S228 VanDerWaalsContact O-CA 3.23Å; L208-S228 WeakPolarHBondContact O-CA 3.47Å; L208-S228 WeakPolarHBondContact O-CB 3.48Å; L208-S228 PolarHBondContact O-N 2.8Å; S228-D230 PolarHBondContact O-N 3.24Å; S228-N251 PolarHBondContact N-OD1 3.38Å
229	I	98	Very high	95.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	26%	0.262	C	S	.	.			trans	-69.6	125.1	-176.6	-60.8	161.7	0	0	0	109.6	L208 I209 V211 M224 N227 L232 N251 L252 L253	L208-I229 HydrophobicContact CB-CG1 4.27Å; L208-I229 PolarHBondContact O-N 3.1Å; I209-I229 WeakPolarHBondContact O-CA 3.03Å; V211-I229 HydrophobicContact CG1-CD1 4.04Å; V211-I229 HydrophobicContact CG1-CG2 3.94Å; M224-I229 HydrophobicContact CB-CD1 4.27Å; M224-I229 HydrophobicContact CE-CD1 4.4Å; M224-I229 HydrophobicContact CG-CD1 4.05Å; M224-I229 HydrophobicContact SD-CD1 3.59Å; M224-I229 VanDerWaalsContact SD-CD1 3.59Å; N227-I229 HydrophobicContact CB-CD1 4.05Å; N227-I229 HydrophobicContact CB-CG1 4.07Å; I229-L232 HydrophobicContact CG2-CD2 4.38Å; I229-N251 HydrophobicContact CB-CB 4.41Å; I229-N251 VanDerWaalsContact CB-OD1 3.31Å; I229-N251 WeakPolarHBondContact CB-OD1 3.05Å; I229-N251 PolarHBondContact N-OD1 3.21Å; I229-L252 CarbonylContact O-C 3.06Å; I229-L252 WeakPolarHBondContact O-CA 3.46Å; I229-L252 PolarHBondContact O-N 3.25Å; I229-L253 HydrophobicContact CG2-CD2 4.08Å; I229-L253 PolarHBondContact O-N 2.95Å
230	D	97.3	Very high	95.6	Very high	74 Å²	74	43 Å²	43	40%	0.396	27%	0.265	S	S	.	.			trans	-110.9	-15.4	-177.5	71.7	-3.1	0	0	0	114.2	S228 L252	S228-D230 PolarHBondContact O-N 3.24Å; D230-L252 HydrophobicContact CB-CB 4.16Å
231	S	96.8	Very high	95.2	Very high	47 Å²	47	44.2 Å²	44.2	33%	0.329	28%	0.283	S	S	.	.			trans	-154.7	154.6	-173.5	53.9	0	0	0	0	113.2	G257	S231-G257 CarbonylContact C-O 3.52Å; S231-G257 VanDerWaalsContact CA-O 3.3Å; S231-G257 WeakPolarHBondContact CA-O 3.39Å
232	L	96.4	Very high	95	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.052	29%	0.288	C	S	.	.			trans	-122.4	141.4	177.6	-58	177.8	0	0	0	109.7	V211 I229 F236 M248 L253 G257 I258 P259 T262 F263	V211-L232 HydrophobicContact CB-CD2 4.47Å; V211-L232 HydrophobicContact CG1-CD2 3.48Å; V211-L232 VanDerWaalsContact CG1-CD2 3.48Å; V211-L232 HydrophobicContact CG2-CD2 4.16Å; I229-L232 HydrophobicContact CG2-CD2 4.38Å; L232-F236 HydrophobicContact CD2-CD1 4.13Å; L232-F236 HydrophobicContact CD2-CE1 4.24Å; L232-M248 HydrophobicContact CD1-SD 4.32Å; L232-L253 HydrophobicContact CD2-CD2 4.45Å; L232-L253 HydrophobicContact CG-CD2 4.13Å; L232-G257 PolarHBondContact N-O 2.85Å; L232-I258 HydrophobicContact CD1-CG1 4.41Å; L232-P259 WeakPolarHBondContact O-CD 3.41Å; L232-P259 VanDerWaalsContact O-CG 3.27Å; L232-P259 WeakPolarHBondContact O-CG 3.13Å; L232-T262 HydrophobicContact CD1-CG2 3.79Å; L232-F263 HydrophobicContact CD1-CE1 4.27Å; L232-F263 HydrophobicContact CD1-CE2 4.43Å; L232-F263 HydrophobicContact CD1-CZ 3.69Å
233	P	94.1	Very high	95	Very high	54 Å²	54	45.2 Å²	45.2	35%	0.351	29%	0.288	S	S	.	.			trans	-72.3	158.2	176.2	27.1	-29.5	0	0	0	112.1	V211 G235 F236	V211-P233 HydrophobicContact CG2-CG 4.08Å; P233-G235 PolarHBondContact O-N 3.33Å; P233-F236 HydrophobicContact CG-CB 3.83Å; P233-F236 HydrophobicContact CG-CD2 3.64Å; P233-F236 HydrophobicContact CG-CG 3.97Å; P233-F236 VanDerWaalsContact O-CB 3.3Å; P233-F236 WeakPolarHBondContact O-CB 3.1Å; P233-F236 PolarHBondContact O-N 3Å
234	E	92.1	Very high	95	Very high	181 Å²	181	47 Å²	47	85%	0.846	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	133	176.6	-170.3	176.1	-176.5	0	0	110.7	F236	E234-F236 PolarHBondContact O-N 3.02Å
235	G	90.3	Very high	95	Very high	51 Å²	51	50.4 Å²	50.4	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	17.5	-178.8	0	0	0	0	0	114.6	P233 L237 G238	P233-G235 PolarHBondContact O-N 3.33Å; G235-L237 VanDerWaalsContact C-N 3.28Å; G235-L237 PolarHBondContact O-N 3.46Å; G235-G238 WeakPolarHBondContact O-CA 3.35Å; G235-G238 PolarHBondContact O-N 3.01Å
236	F	92.6	Very high	95	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.066	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-43.5	-176.3	-179.4	-126	0	0	0	114.5	V211 P212 L215 F222 M224 L232 P233 E234 M248	V211-F236 HydrophobicContact CB-CE1 4.07Å; V211-F236 HydrophobicContact CB-CE2 3.86Å; V211-F236 HydrophobicContact CB-CZ 3.5Å; V211-F236 VanDerWaalsContact CB-CZ 3.5Å; V211-F236 HydrophobicContact CG1-CE1 4.03Å; V211-F236 HydrophobicContact CG1-CZ 3.94Å; V211-F236 HydrophobicContact CG2-CD1 4.42Å; V211-F236 HydrophobicContact CG2-CD2 3.93Å; V211-F236 HydrophobicContact CG2-CE1 4.07Å; V211-F236 HydrophobicContact CG2-CE2 3.54Å; V211-F236 HydrophobicContact CG2-CG 4.36Å; V211-F236 HydrophobicContact CG2-CZ 3.62Å; P212-F236 VanDerWaalsContact O-CE2 3.27Å; P212-F236 WeakPolarHBondContact O-CE2 3.29Å; L215-F236 HydrophobicContact CD1-CD2 4.49Å; L215-F236 HydrophobicContact CD1-CE1 3.94Å; L215-F236 HydrophobicContact CD1-CE2 3.79Å; L215-F236 HydrophobicContact CD1-CZ 3.47Å; L215-F236 VanDerWaalsContact CD1-CZ 3.47Å; L215-F236 HydrophobicContact CD2-CE2 4.26Å; L215-F236 HydrophobicContact CD2-CZ 4.1Å; L215-F236 HydrophobicContact CG-CE2 3.72Å; L215-F236 HydrophobicContact CG-CZ 3.81Å; F222-F236 HydrophobicContact CE1-CE1 4.04Å; F222-F236 AromaticContact CE1-CZ 3.85Å; F222-F236 HydrophobicContact CE1-CZ 3.85Å; F222-F236 HydrophobicContact CZ-CZ 4.48Å; M224-F236 HydrophobicContact CE-CE1 4.35Å; L232-F236 HydrophobicContact CD2-CD1 4.13Å; L232-F236 HydrophobicContact CD2-CE1 4.24Å; P233-F236 HydrophobicContact CG-CB 3.83Å; P233-F236 HydrophobicContact CG-CD2 3.64Å; P233-F236 HydrophobicContact CG-CG 3.97Å; P233-F236 VanDerWaalsContact O-CB 3.3Å; P233-F236 WeakPolarHBondContact O-CB 3.1Å; P233-F236 PolarHBondContact O-N 3Å; E234-F236 PolarHBondContact O-N 3.02Å; F236-M248 HydrophobicContact CE1-CE 4.4Å
237	L	94.2	Very high	95	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	4.1	178.1	-54.2	178.5	0	0	0	112.6	L215 G235 G239 L240 L243 I246 M248 T262 F263 I265	L215-L237 HydrophobicContact CD1-CD2 3.99Å; G235-L237 VanDerWaalsContact C-N 3.28Å; G235-L237 PolarHBondContact O-N 3.46Å; L237-G239 PolarHBondContact O-N 2.76Å; L237-L240 HydrophobicContact CD2-CD1 4.11Å; L237-L240 PolarHBondContact O-N 2.82Å; L237-L243 HydrophobicContact CD2-CD2 3.95Å; L237-I246 HydrophobicContact CD1-CD1 3.54Å; L237-I246 HydrophobicContact CD2-CD1 4.16Å; L237-I246 HydrophobicContact CG-CD1 4.47Å; L237-M248 HydrophobicContact CD1-CE 4.49Å; L237-T262 HydrophobicContact CD1-CG2 4.25Å; L237-T262 HydrophobicContact CG-CG2 4.41Å; L237-F263 HydrophobicContact CD1-CD1 3.79Å; L237-F263 HydrophobicContact CD1-CE1 4.05Å; L237-I265 HydrophobicContact CB-CD1 4.25Å; L237-I265 HydrophobicContact CB-CG2 4.26Å; L237-I265 HydrophobicContact CD1-CD1 4.49Å
238	G	89.4	Confident	95	Very high	53 Å²	53	47.8 Å²	47.8	55%	0.546	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	129.4	-178.6	0	0	0	0	0	111.2	G235 L240	G235-G238 WeakPolarHBondContact O-CA 3.35Å; G235-G238 PolarHBondContact O-N 3.01Å; G238-L240 VanDerWaalsContact C-N 3.3Å; G238-L240 PolarHBondContact O-N 2.71Å
239	G	86.7	Confident	95	Very high	73 Å²	73	45.8 Å²	45.8	75%	0.753	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-4.1	178.6	0	0	0	0	0	115.4	L237 A241	L237-G239 PolarHBondContact O-N 2.76Å; G239-A241 PolarHBondContact O-N 2.83Å
240	L	93.3	Very high	95	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	30%	0.295	C	S	.	.			trans	-80.2	65	176.6	-56.8	-177.1	0	0	0	111.6	L215 P216 L237 G238 Q242 L243	L215-L240 HydrophobicContact CB-CD1 3.99Å; L215-L240 HydrophobicContact CB-CD2 4.48Å; L215-L240 HydrophobicContact CD1-CD1 3.66Å; L215-L240 HydrophobicContact CG-CD1 4.48Å; P216-L240 WeakPolarHBondContact O-CD2 3.19Å; L237-L240 HydrophobicContact CD2-CD1 4.11Å; L237-L240 PolarHBondContact O-N 2.82Å; G238-L240 VanDerWaalsContact C-N 3.3Å; G238-L240 PolarHBondContact O-N 2.71Å; L240-Q242 PolarHBondContact O-N 3.48Å; L240-Q242 VanDerWaalsContact O-N 3.12Å; L240-L243 HydrophobicContact CB-CB 3.92Å; L240-L243 HydrophobicContact CB-CD2 4.15Å; L240-L243 HydrophobicContact CD1-CD2 3.79Å; L240-L243 WeakPolarHBondContact O-CB 3.27Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-L243 VanDerWaalsContact O-N 3.13Å
241	A	90.1	Very high	95.1	Very high	74 Å²	74	45.5 Å²	45.5	61%	0.612	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.1	-172.5	0	0	0	0	0	114.3	G239	G239-A241 PolarHBondContact O-N 2.83Å
242	Q	95	Very high	95.2	Very high	84 Å²	84	47 Å²	47	39%	0.393	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.1	179.6	-60.7	-158.8	-40.3	0	0	113.9	H218 L219 H220 L240 Q244	H218-Q242 PolarHBondContact ND1-OE1 3.25Å; L219-Q242 CarbonylContact O-C 3.22Å; H220-Q242 PolarHBondContact CE1-OE1 3.02Å; L240-Q242 PolarHBondContact O-N 3.48Å; L240-Q242 VanDerWaalsContact O-N 3.12Å; Q242-Q244 PolarHBondContact O-N 3.34Å
243	L	97.6	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.28	C	S	.	.			trans	-72	121.3	-177.7	-171	60.7	0	0	0	110.5	L219 F222 L237 L240 I246 I265 G267 L268	L219-L243 HydrophobicContact CB-CD1 4.42Å; L219-L243 HydrophobicContact CD2-CD1 4.36Å; L219-L243 HydrophobicContact CG-CD1 4.24Å; L219-L243 WeakPolarHBondContact O-CA 3.26Å; L219-L243 PolarHBondContact O-N 2.96Å; F222-L243 HydrophobicContact CB-CD1 4.16Å; L237-L243 HydrophobicContact CD2-CD2 3.95Å; L240-L243 HydrophobicContact CB-CB 3.92Å; L240-L243 HydrophobicContact CB-CD2 4.15Å; L240-L243 HydrophobicContact CD1-CD2 3.79Å; L240-L243 WeakPolarHBondContact O-CB 3.27Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-L243 VanDerWaalsContact O-N 3.13Å; L243-I246 HydrophobicContact CD1-CG1 4.21Å; L243-I246 HydrophobicContact CD2-CD1 3.44Å; L243-I246 VanDerWaalsContact CD2-CD1 3.44Å; L243-I246 HydrophobicContact CD2-CG1 3.76Å; L243-I246 HydrophobicContact CG-CD1 4Å; L243-I246 HydrophobicContact CG-CG1 3.9Å; L243-I265 HydrophobicContact CB-CD1 4.33Å; L243-I265 HydrophobicContact CD2-CD1 4.07Å; L243-I265 HydrophobicContact CG-CD1 4.47Å; L243-G267 CarbonylContact O-C 3.52Å; L243-G267 VanDerWaalsContact O-O 3.1Å; L243-L268 WeakPolarHBondContact O-CA 3.14Å; L243-L268 PolarHBondContact O-N 3.46Å
244	Q	98.2	Very high	95.5	Very high	68 Å²	68	50 Å²	50	32%	0.318	29%	0.289	S	S	.	.			trans	-115.6	-35.5	-173.3	-71.2	175	22.3	0	0	112.9	H220 Q242 L268 V269 E270	H220-Q244 PolarHBondContact O-N 3.25Å; Q242-Q244 PolarHBondContact O-N 3.34Å; Q244-L268 WeakPolarHBondContact O-CD1 3.24Å; Q244-V269 HydrophobicContact CB-CG2 4.24Å; Q244-V269 HydrophobicContact CG-CG2 4.32Å; Q244-V269 WeakPolarHBondContact O-CA 3.39Å; Q244-V269 WeakPolarHBondContact O-CB 3.47Å; Q244-V269 PolarHBondContact O-N 3.19Å; Q244-E270 PolarHBondContact O-N 3.03Å
245	Y	98.8	Very high	95.7	Very high	73 Å²	73	42.9 Å²	42.9	29%	0.286	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.1	-174.6	-53.9	-90	0	0	0	110.2	H220 Q221 F222 V269 E270	H220-Y245 PolarHBondContact O-N 2.84Å; H220-Y245 VanDerWaalsContact O-N 3.1Å; Q221-Y245 HydrophobicContact CG-CD2 3.75Å; Q221-Y245 HydrophobicContact CG-CG 4.34Å; F222-Y245 PolarHBondContact N-O 3.41Å; Y245-V269 HydrophobicContact CE1-CG1 4.43Å; Y245-E270 HydrophobicContact CD1-CB 3.72Å; Y245-E270 HydrophobicContact CE1-CB 4.3Å
246	I	98.4	Very high	96	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.5	175.4	-64.6	175.1	0	0	0	109.1	F222 L237 L243 M248 I265 L268 E270 L271 D272	F222-I246 WeakPolarHBondContact O-CA 3.33Å; L237-I246 HydrophobicContact CD1-CD1 3.54Å; L237-I246 HydrophobicContact CD2-CD1 4.16Å; L237-I246 HydrophobicContact CG-CD1 4.47Å; L243-I246 HydrophobicContact CD1-CG1 4.21Å; L243-I246 HydrophobicContact CD2-CD1 3.44Å; L243-I246 VanDerWaalsContact CD2-CD1 3.44Å; L243-I246 HydrophobicContact CD2-CG1 3.76Å; L243-I246 HydrophobicContact CG-CD1 4Å; L243-I246 HydrophobicContact CG-CG1 3.9Å; I246-M248 HydrophobicContact CG2-CE 3.37Å; I246-M248 HydrophobicContact CG2-CG 3.64Å; I246-M248 HydrophobicContact CG2-SD 4.1Å; I246-I265 HydrophobicContact CD1-CD1 4.44Å; I246-L268 HydrophobicContact CB-CD1 4.17Å; I246-L268 HydrophobicContact CD1-CD1 3.61Å; I246-L268 HydrophobicContact CD1-CD2 4.16Å; I246-L268 HydrophobicContact CG1-CD1 3.63Å; I246-E270 PolarHBondContact N-O 3.47Å; I246-L271 HydrophobicContact CB-CD1 4.03Å; I246-L271 HydrophobicContact CG2-CD1 3.87Å; I246-D272 PolarHBondContact O-N 3.21Å
247	R	98.8	Very high	96.1	Very high	82 Å²	82	50.6 Å²	50.6	31%	0.309	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.8	171.2	-63.9	-176.7	-179.4	157.6	1.5	110.2	F222 Y223 M224 E225 E270 D272	F222-R247 PolarHBondContact O-N 2.82Å; Y223-R247 HydrophobicContact CD1-CB 3.95Å; Y223-R247 HydrophobicContact CD1-CG 3.87Å; Y223-R247 HydrophobicContact CE1-CG 4.15Å; M224-R247 CarbonylContact C-O 3.4Å; M224-R247 WeakPolarHBondContact CG-O 3.22Å; M224-R247 PolarHBondContact N-O 3.09Å; E225-R247 PolarHBondContact N-O 2.87Å; E225-R247 VanDerWaalsContact OE2-CB 3.27Å; E225-R247 WeakPolarHBondContact OE2-CB 3.42Å; R247-E270 IonicContact CZ-OE1 3.48Å; R247-E270 IonicContact NE-OE1 3.81Å; R247-E270 PolarHBondContact NE-OE1 3.34Å; R247-E270 IonicContact NH2-OE1 2.68Å; R247-E270 PolarHBondContact NH2-OE1 2.95Å; R247-E270 VanDerWaalsContact NH2-OE1 3.07Å; R247-D272 HydrophobicContact CB-CB 4.45Å; R247-D272 HydrophobicContact CG-CB 4.14Å
248	M	98.1	Very high	96.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.285	C	S	.	.			trans	-132.4	23.8	176.6	-42	-178.7	172.8	0	0	110.6	M224 L232 F236 L237 I246 N251 L253 F263 D272 L273 N276	M224-M248 HydrophobicContact CE-CB 4.25Å; M224-M248 HydrophobicContact CE-CE 3Å; M224-M248 HydrophobicContact CE-CG 3.34Å; M224-M248 HydrophobicContact CE-SD 3.22Å; M224-M248 WeakPolarHBondContact CE-SD 3.24Å; M224-M248 HydrophobicContact CG-CB 4.41Å; M224-M248 HydrophobicContact CG-CG 4.04Å; L232-M248 HydrophobicContact CD1-SD 4.32Å; F236-M248 HydrophobicContact CE1-CE 4.4Å; L237-M248 HydrophobicContact CD1-CE 4.49Å; I246-M248 HydrophobicContact CG2-CE 3.37Å; I246-M248 HydrophobicContact CG2-CG 3.64Å; I246-M248 HydrophobicContact CG2-SD 4.1Å; M248-N251 PolarHBondContact O-ND2 3.26Å; M248-L253 HydrophobicContact CB-CD1 4.29Å; M248-L253 HydrophobicContact SD-CD1 4.28Å; M248-F263 HydrophobicContact CE-CE1 3.97Å; M248-F263 HydrophobicContact SD-CE1 4.01Å; M248-F263 HydrophobicContact SD-CZ 4.17Å; M248-D272 CarbonylContact C-O 3.45Å; M248-D272 PolarHBondContact N-O 3.48Å; M248-L273 HydrophobicContact CB-CD2 4.03Å; M248-L273 HydrophobicContact CG-CD2 4.33Å; M248-L273 HydrophobicContact SD-CD2 4.09Å; M248-N276 PolarHBondContact O-ND2 3.15Å
249	S	98.8	Very high	96.6	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.063	27%	0.27	C	S	.	.			trans	-63	157.5	179.1	57.6	0	0	0	0	111.9	E225 F226 N251 D272 S274	E225-S249 CarbonylContact C-O 3.23Å; E225-S249 WeakPolarHBondContact CA-O 3.33Å; E225-S249 VanDerWaalsContact CB-O 3.3Å; E225-S249 WeakPolarHBondContact CB-O 3.3Å; E225-S249 WeakPolarHBondContact CB-OG 3.07Å; F226-S249 PolarHBondContact N-O 2.97Å; S249-N251 PolarHBondContact O-ND2 3.17Å; S249-D272 PolarHBondContact N-O 3.31Å; S249-S274 CarbonylContact C-O 3.35Å; S249-S274 WeakPolarHBondContact CA-O 3.02Å; S249-S274 WeakPolarHBondContact CB-O 3.02Å; S249-S274 VanDerWaalsContact CB-OG 3.25Å; S249-S274 WeakPolarHBondContact CB-OG 3.12Å
250	H	98.8	Very high	96.8	Very high	65 Å²	65	52.7 Å²	52.7	30%	0.301	27%	0.271	S	S	.	.	S	Bend	trans	55	55.3	179.7	-65.9	-89.8	0	0	0	112.4	F226 N227 S274 F275	F226-H250 WeakPolarHBondContact CA-O 3.47Å; F226-H250 HydrophobicContact CD1-CB 3.56Å; F226-H250 AromaticContact CD1-CG 3.74Å; F226-H250 HydrophobicContact CE1-CB 3.73Å; F226-H250 AromaticContact CE1-CD2 3.44Å; F226-H250 VanDerWaalsContact CE1-CD2 3.44Å; F226-H250 WeakPolarHBondContact CE1-CD2 3.38Å; F226-H250 AromaticContact CE1-CE1 3.88Å; F226-H250 AromaticContact CE1-CG 3.33Å; F226-H250 AromaticContact CE1-ND1 3.63Å; F226-H250 AromaticContact CE1-NE2 3.79Å; F226-H250 AromaticContact CE2-CD2 3.97Å; F226-H250 HydrophobicContact CG-CB 4.02Å; F226-H250 HydrophobicContact CZ-CB 4.31Å; F226-H250 AromaticContact CZ-CD2 3.32Å; F226-H250 WeakPolarHBondContact CZ-CD2 3.18Å; F226-H250 AromaticContact CZ-CG 3.75Å; F226-H250 AromaticContact CZ-NE2 3.64Å; F226-H250 PolarHBondContact N-O 3.02Å; N227-H250 PolarHBondContact N-O 3.24Å; H250-S274 PolarHBondContact N-O 2.86Å; H250-F275 WeakPolarHBondContact CA-O 3.29Å; H250-F275 HydrophobicContact CB-CB 4.44Å; H250-F275 AromaticContact CD2-CD2 3.97Å; H250-F275 AromaticContact CE1-CD1 3.57Å; H250-F275 AromaticContact CE1-CD2 3.67Å; H250-F275 AromaticContact CE1-CG 3.35Å; H250-F275 WeakPolarHBondContact CE1-CG 3.49Å; H250-F275 PolarHBondContact N-O 2.88Å; H250-F275 AromaticContact ND1-CG 3.79Å; H250-F275 AromaticContact NE2-CD2 3.35Å; H250-F275 WeakPolarHBondContact NE2-CD2 3.26Å; H250-F275 AromaticContact NE2-CE2 3.84Å; H250-F275 AromaticContact NE2-CG 3.52Å
251	N	98.8	Very high	96.7	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.027	29%	0.293	C	S	.	.	S	Bend	trans	-127.2	-168.2	172.7	-86.6	-74.4	0	0	0	109.7	M224 N227 S228 I229 M248 S249 L253 N276	M224-N251 PolarHBondContact O-ND2 3.13Å; N227-N251 WeakPolarHBondContact CA-OD1 3.45Å; N227-N251 WeakPolarHBondContact CB-OD1 2.88Å; N227-N251 PolarHBondContact O-OD1 3.25Å; S228-N251 PolarHBondContact N-OD1 3.38Å; I229-N251 HydrophobicContact CB-CB 4.41Å; I229-N251 VanDerWaalsContact CB-OD1 3.31Å; I229-N251 WeakPolarHBondContact CB-OD1 3.05Å; I229-N251 PolarHBondContact N-OD1 3.21Å; M248-N251 PolarHBondContact O-ND2 3.26Å; S249-N251 PolarHBondContact O-ND2 3.17Å; N251-L253 HydrophobicContact CB-CG 4.45Å; N251-N276 WeakPolarHBondContact CA-OD1 3.18Å; N251-N276 WeakPolarHBondContact CB-OD1 3.5Å; N251-N276 PolarHBondContact O-OD1 3.21Å
252	L	98.6	Very high	97	Very high	80 Å²	80	53.7 Å²	53.7	42%	0.419	27%	0.266	S	S	.	.			trans	-112.6	20.1	-177.4	-59.3	178.1	0	0	0	112.6	I229 D230 K254 N276	I229-L252 CarbonylContact O-C 3.06Å; I229-L252 WeakPolarHBondContact O-CA 3.46Å; I229-L252 PolarHBondContact O-N 3.25Å; D230-L252 HydrophobicContact CB-CB 4.16Å; L252-K254 PolarHBondContact O-N 3.08Å; L252-N276 PolarHBondContact N-OD1 2.94Å
253	L	98.5	Very high	97	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.249	C	C	.	.			trans	-62	134.2	-175.1	-65.8	170.2	0	0	0	111.4	I229 L232 M248 N251 I258 L273 N276 K277 L278	I229-L253 HydrophobicContact CG2-CD2 4.08Å; I229-L253 PolarHBondContact O-N 2.95Å; L232-L253 HydrophobicContact CD2-CD2 4.45Å; L232-L253 HydrophobicContact CG-CD2 4.13Å; M248-L253 HydrophobicContact CB-CD1 4.29Å; M248-L253 HydrophobicContact SD-CD1 4.28Å; N251-L253 HydrophobicContact CB-CG 4.45Å; L253-I258 HydrophobicContact CB-CD1 4.28Å; L253-I258 HydrophobicContact CD2-CG1 4.45Å; L253-L273 HydrophobicContact CD1-CD2 3.99Å; L253-N276 HydrophobicContact CB-CB 4.2Å; L253-N276 VanDerWaalsContact CB-OD1 3.28Å; L253-N276 WeakPolarHBondContact CB-OD1 3.23Å; L253-N276 WeakPolarHBondContact CG-OD1 3.43Å; L253-N276 PolarHBondContact N-OD1 2.95Å; L253-K277 CarbonylContact O-C 3.34Å; L253-K277 VanDerWaalsContact O-CA 3.28Å; L253-K277 WeakPolarHBondContact O-CA 3.3Å; L253-K277 WeakPolarHBondContact O-CB 3.21Å; L253-K277 PolarHBondContact O-N 3.41Å; L253-L278 HydrophobicContact CB-CD2 4.21Å
254	K	97.9	Very high	96.9	Very high	125 Å²	125	53 Å²	53	54%	0.543	27%	0.266	S	S	.	.			trans	-125	159.9	173.3	-65.2	173.6	-175	175.9	0	109.2	L252 K256 G257 I258 K277	L252-K254 PolarHBondContact O-N 3.08Å; K254-K256 PolarHBondContact O-N 3.39Å; K254-K256 VanDerWaalsContact O-N 3.11Å; K254-G257 WeakPolarHBondContact O-CA 3.18Å; K254-G257 PolarHBondContact O-N 2.04Å; K254-I258 PolarHBondContact O-N 3.25Å; K254-K277 HydrophobicContact CG-CB 3.74Å
255	D	97.1	Very high	96.6	Very high	32 Å²	32	50.8 Å²	50.8	17%	0.171	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-48.8	-43.1	177.6	-67.5	15.3	0	0	0	113.8	G257 I258 E279 R280	D255-G257 VanDerWaalsContact C-N 3.25Å; D255-G257 PolarHBondContact O-N 2.87Å; D255-I258 PolarHBondContact O-N 3.13Å; D255-E279 PolarHBondContact OD1-N 2.79Å; D255-R280 PolarHBondContact OD1-N 3.41Å; D255-R280 WeakPolarHBondContact OD2-CB 3.33Å; D255-R280 WeakPolarHBondContact OD2-CG 3.07Å; D255-R280 IonicContact OD2-CZ 3.6Å; D255-R280 PolarHBondContact OD2-N 3.15Å; D255-R280 IonicContact OD2-NE 4Å; D255-R280 PolarHBondContact OD2-NE 3.18Å; D255-R280 IonicContact OD2-NH2 2.76Å; D255-R280 PolarHBondContact OD2-NH2 2.96Å
256	K	96.3	Very high	96.3	Very high	215 Å²	215	52.2 Å²	52.2	94%	0.935	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-68	-24.1	179.8	-68.2	-174.9	179.7	-179.8	0	113.6	K254 I258	K254-K256 PolarHBondContact O-N 3.39Å; K254-K256 VanDerWaalsContact O-N 3.11Å; K256-I258 VanDerWaalsContact C-N 3.31Å
257	G	95.9	Very high	96	Very high	12 Å²	12	53.2 Å²	53.2	12%	0.124	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-84.3	-6.4	177.6	0	0	0	0	0	113	S231 L232 K254 D255	S231-G257 CarbonylContact C-O 3.52Å; S231-G257 VanDerWaalsContact CA-O 3.3Å; S231-G257 WeakPolarHBondContact CA-O 3.39Å; L232-G257 PolarHBondContact N-O 2.85Å; K254-G257 WeakPolarHBondContact O-CA 3.18Å; K254-G257 PolarHBondContact O-N 2.04Å; D255-G257 VanDerWaalsContact C-N 3.25Å; D255-G257 PolarHBondContact O-N 2.87Å
258	I	97.2	Very high	96	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.128	27%	0.268	C	S	.	.	S	Bend	trans	-111.9	110.2	-179.1	-63.8	165	0	0	0	108.6	L232 L253 K254 D255 K256 F263 L278	L232-I258 HydrophobicContact CD1-CG1 4.41Å; L253-I258 HydrophobicContact CB-CD1 4.28Å; L253-I258 HydrophobicContact CD2-CG1 4.45Å; K254-I258 PolarHBondContact O-N 3.25Å; D255-I258 PolarHBondContact O-N 3.13Å; K256-I258 VanDerWaalsContact C-N 3.31Å; I258-F263 HydrophobicContact CD1-CE2 4.11Å; I258-F263 HydrophobicContact CG1-CE2 4.4Å; I258-F263 HydrophobicContact CG2-CD2 4.17Å; I258-F263 HydrophobicContact CG2-CE2 3.66Å; I258-L278 HydrophobicContact CD1-CD2 3.37Å
259	P	96.2	Very high	96	Very high	35 Å²	35	50.7 Å²	50.7	23%	0.227	28%	0.276	C	S	.	.			trans	-58.8	150.7	172	-24.4	34.1	0	0	0	112.2	L232 N261 T262	L232-P259 WeakPolarHBondContact O-CD 3.41Å; L232-P259 VanDerWaalsContact O-CG 3.27Å; L232-P259 WeakPolarHBondContact O-CG 3.13Å; P259-N261 PolarHBondContact O-N 3.23Å; P259-T262 WeakPolarHBondContact CB-OG1 3.32Å; P259-T262 WeakPolarHBondContact CD-OG1 3.28Å; P259-T262 WeakPolarHBondContact O-CB 3.4Å; P259-T262 PolarHBondContact O-N 2.97Å; P259-T262 PolarHBondContact O-OG1 3.44Å
260	S	91.2	Very high	96	Very high	112 Å²	112	51.4 Å²	51.4	78%	0.783	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	140.2	177.2	-59.8	0	0	0	0	111	T262	S260-T262 PolarHBondContact O-N 3.03Å
261	N	91	Very high	96	Very high	94 Å²	94	48.3 Å²	48.3	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	9.9	-179.9	-55.1	-55.3	0	0	0	116	P259 F263 N264	P259-N261 PolarHBondContact O-N 3.23Å; N261-F263 PolarHBondContact O-N 3.16Å; N261-F263 VanDerWaalsContact O-N 3.16Å; N261-N264 HydrophobicContact CB-CB 4.08Å; N261-N264 PolarHBondContact O-N 3.01Å
262	T	95.7	Very high	96	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-42.1	177.7	-63.8	0	0	0	0	112.6	L232 L237 P259 S260	L232-T262 HydrophobicContact CD1-CG2 3.79Å; L237-T262 HydrophobicContact CD1-CG2 4.25Å; L237-T262 HydrophobicContact CG-CG2 4.41Å; P259-T262 WeakPolarHBondContact CB-OG1 3.32Å; P259-T262 WeakPolarHBondContact CD-OG1 3.28Å; P259-T262 WeakPolarHBondContact O-CB 3.4Å; P259-T262 PolarHBondContact O-N 2.97Å; P259-T262 PolarHBondContact O-OG1 3.44Å; S260-T262 PolarHBondContact O-N 3.03Å
263	F	95.8	Very high	96	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	7.3	-178.6	-56.6	-68.8	0	0	0	114.2	L232 L237 M248 I258 N261 I265 L271 L273 P282 V284	L232-F263 HydrophobicContact CD1-CE1 4.27Å; L232-F263 HydrophobicContact CD1-CE2 4.43Å; L232-F263 HydrophobicContact CD1-CZ 3.69Å; L237-F263 HydrophobicContact CD1-CD1 3.79Å; L237-F263 HydrophobicContact CD1-CE1 4.05Å; M248-F263 HydrophobicContact CE-CE1 3.97Å; M248-F263 HydrophobicContact SD-CE1 4.01Å; M248-F263 HydrophobicContact SD-CZ 4.17Å; I258-F263 HydrophobicContact CD1-CE2 4.11Å; I258-F263 HydrophobicContact CG1-CE2 4.4Å; I258-F263 HydrophobicContact CG2-CD2 4.17Å; I258-F263 HydrophobicContact CG2-CE2 3.66Å; N261-F263 PolarHBondContact O-N 3.16Å; N261-F263 VanDerWaalsContact O-N 3.16Å; F263-I265 VanDerWaalsContact C-N 3.25Å; F263-I265 PolarHBondContact O-N 3.42Å; F263-L271 HydrophobicContact CB-CD2 3.8Å; F263-L271 HydrophobicContact CD1-CD1 3.84Å; F263-L271 HydrophobicContact CD1-CD2 3.71Å; F263-L271 HydrophobicContact CD1-CG 4.46Å; F263-L271 HydrophobicContact CD2-CD2 4.4Å; F263-L271 HydrophobicContact CE1-CD1 3.9Å; F263-L271 HydrophobicContact CE1-CD2 4.37Å; F263-L271 HydrophobicContact CG-CD2 3.72Å; F263-L273 HydrophobicContact CD2-CD1 4.24Å; F263-L273 HydrophobicContact CE1-CD1 4.48Å; F263-L273 HydrophobicContact CE1-CD2 4.23Å; F263-L273 HydrophobicContact CE2-CD1 3.82Å; F263-L273 HydrophobicContact CE2-CD2 4.42Å; F263-L273 HydrophobicContact CZ-CD1 3.96Å; F263-L273 HydrophobicContact CZ-CD2 3.79Å; F263-L273 HydrophobicContact CZ-CG 4.47Å; F263-P282 HydrophobicContact CD2-CB 3.97Å; F263-P282 HydrophobicContact CD2-CG 4.31Å; F263-P282 HydrophobicContact CE2-CB 4.45Å; F263-V284 HydrophobicContact CB-CG1 4.33Å
264	N	94.4	Very high	96	Very high	67 Å²	67	45.5 Å²	45.5	36%	0.358	25%	0.249	S	C	.	.			trans	-87.3	66.2	178.2	-171.1	6	0	0	0	110.6	N261 S285	N261-N264 HydrophobicContact CB-CB 4.08Å; N261-N264 PolarHBondContact O-N 3.01Å; N264-S285 WeakPolarHBondContact OD1-CA 3.22Å
265	I	93.5	Very high	96	Very high	20 Å²	20	43.9 Å²	43.9	10%	0.103	24%	0.243	C	C	.	.			trans	-117.8	135.8	177.8	67.8	179.7	0	0	0	109.8	L237 L243 I246 F263 G267 L268 S285	L237-I265 HydrophobicContact CB-CD1 4.25Å; L237-I265 HydrophobicContact CB-CG2 4.26Å; L237-I265 HydrophobicContact CD1-CD1 4.49Å; L243-I265 HydrophobicContact CB-CD1 4.33Å; L243-I265 HydrophobicContact CD2-CD1 4.07Å; L243-I265 HydrophobicContact CG-CD1 4.47Å; I246-I265 HydrophobicContact CD1-CD1 4.44Å; F263-I265 VanDerWaalsContact C-N 3.25Å; F263-I265 PolarHBondContact O-N 3.42Å; I265-G267 VanDerWaalsContact C-N 3.35Å; I265-G267 PolarHBondContact O-N 3.21Å; I265-L268 HydrophobicContact CD1-CB 4.15Å; I265-L268 HydrophobicContact CD1-CD1 4.4Å; I265-L268 HydrophobicContact CD1-CD2 4.43Å; I265-L268 HydrophobicContact CG1-CB 3.76Å; I265-L268 HydrophobicContact CG1-CD2 4.33Å; I265-S285 WeakPolarHBondContact O-CB 3.28Å
266	T	91.6	Very high	96.1	Very high	104 Å²	104	42.4 Å²	42.4	64%	0.638	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.4	-169.5	50.6	0	0	0	0	114.2	T287	T266-T287 WeakPolarHBondContact CA-OG1 3.29Å; T266-T287 WeakPolarHBondContact O-CB 3.42Å; T266-T287 PolarHBondContact O-OG1 3.17Å
267	G	93	Very high	96.2	Very high	21 Å²	21	36.1 Å²	36.1	22%	0.216	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.8	-179.4	0	0	0	0	0	114.8	L243 I265	L243-G267 CarbonylContact O-C 3.52Å; L243-G267 VanDerWaalsContact O-O 3.1Å; I265-G267 VanDerWaalsContact C-N 3.35Å; I265-G267 PolarHBondContact O-N 3.21Å
268	L	96.9	Very high	96.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.202	C	C	.	.			trans	-73.5	131.7	-169	-162.3	64.4	0	0	0	111.8	L243 Q244 I246 I265 E270 L271 L288	L243-L268 WeakPolarHBondContact O-CA 3.14Å; L243-L268 PolarHBondContact O-N 3.46Å; Q244-L268 WeakPolarHBondContact O-CD1 3.24Å; I246-L268 HydrophobicContact CB-CD1 4.17Å; I246-L268 HydrophobicContact CD1-CD1 3.61Å; I246-L268 HydrophobicContact CD1-CD2 4.16Å; I246-L268 HydrophobicContact CG1-CD1 3.63Å; I265-L268 HydrophobicContact CD1-CB 4.15Å; I265-L268 HydrophobicContact CD1-CD1 4.4Å; I265-L268 HydrophobicContact CD1-CD2 4.43Å; I265-L268 HydrophobicContact CG1-CB 3.76Å; I265-L268 HydrophobicContact CG1-CD2 4.33Å; L268-E270 WeakPolarHBondContact CD1-O 3.47Å; L268-L271 HydrophobicContact CD2-CB 3.89Å; L268-L271 HydrophobicContact CD2-CD1 4.39Å; L268-L271 HydrophobicContact CD2-CD2 4.24Å; L268-L271 HydrophobicContact CD2-CG 4.4Å; L268-L288 HydrophobicContact CB-CD1 4.03Å; L268-L288 HydrophobicContact CD2-CD1 3.91Å; L268-L288 HydrophobicContact CG-CD1 3.69Å
269	V	98.3	Very high	96.4	Very high	27 Å²	27	38.5 Å²	38.5	16%	0.164	22%	0.215	C	C	.	.			trans	-104.8	-46	178.2	177.4	0	0	0	0	110.1	Q244 Y245 L288 Q289 H290	Q244-V269 HydrophobicContact CB-CG2 4.24Å; Q244-V269 HydrophobicContact CG-CG2 4.32Å; Q244-V269 WeakPolarHBondContact O-CA 3.39Å; Q244-V269 WeakPolarHBondContact O-CB 3.47Å; Q244-V269 PolarHBondContact O-N 3.19Å; Y245-V269 HydrophobicContact CE1-CG1 4.43Å; V269-L288 WeakPolarHBondContact O-CD1 3.45Å; V269-Q289 HydrophobicContact CG1-CB 4.25Å; V269-Q289 HydrophobicContact CG1-CG 4.44Å; V269-Q289 PolarHBondContact O-N 2.98Å; V269-H290 PolarHBondContact O-N 3.22Å
270	E	98.7	Very high	96.4	Very high	25 Å²	25	44.2 Å²	44.2	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.8	-177.3	179.9	171.4	117	0	0	110.9	Q244 Y245 I246 R247 L268 H290 Y292	Q244-E270 PolarHBondContact O-N 3.03Å; Y245-E270 HydrophobicContact CD1-CB 3.72Å; Y245-E270 HydrophobicContact CE1-CB 4.3Å; I246-E270 PolarHBondContact N-O 3.47Å; R247-E270 IonicContact CZ-OE1 3.48Å; R247-E270 IonicContact NE-OE1 3.81Å; R247-E270 PolarHBondContact NE-OE1 3.34Å; R247-E270 IonicContact NH2-OE1 2.68Å; R247-E270 PolarHBondContact NH2-OE1 2.95Å; R247-E270 VanDerWaalsContact NH2-OE1 3.07Å; L268-E270 WeakPolarHBondContact CD1-O 3.47Å; E270-H290 HydrophobicContact CB-CB 4.43Å; E270-H290 HydrophobicContact CG-CB 4.32Å; E270-Y292 HydrophobicContact CG-CD2 4.39Å; E270-Y292 HydrophobicContact CG-CE2 3.9Å
271	L	98.8	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.8	172	179.3	56.4	0	0	0	109.9	I246 F263 L268 L273 V284 L288 H290 L291 Y292	I246-L271 HydrophobicContact CB-CD1 4.03Å; I246-L271 HydrophobicContact CG2-CD1 3.87Å; F263-L271 HydrophobicContact CB-CD2 3.8Å; F263-L271 HydrophobicContact CD1-CD1 3.84Å; F263-L271 HydrophobicContact CD1-CD2 3.71Å; F263-L271 HydrophobicContact CD1-CG 4.46Å; F263-L271 HydrophobicContact CD2-CD2 4.4Å; F263-L271 HydrophobicContact CE1-CD1 3.9Å; F263-L271 HydrophobicContact CE1-CD2 4.37Å; F263-L271 HydrophobicContact CG-CD2 3.72Å; L268-L271 HydrophobicContact CD2-CB 3.89Å; L268-L271 HydrophobicContact CD2-CD1 4.39Å; L268-L271 HydrophobicContact CD2-CD2 4.24Å; L268-L271 HydrophobicContact CD2-CG 4.4Å; L271-L273 HydrophobicContact CD1-CD1 4.28Å; L271-L273 HydrophobicContact CD1-CD2 4.18Å; L271-L273 HydrophobicContact CD1-CG 3.92Å; L271-L273 HydrophobicContact CD2-CD1 3.87Å; L271-L273 HydrophobicContact CD2-CG 4.33Å; L271-L273 HydrophobicContact CG-CD1 4.04Å; L271-L273 HydrophobicContact CG-CG 3.94Å; L271-V284 HydrophobicContact CD2-CG1 4.17Å; L271-L288 HydrophobicContact CB-CD1 4.14Å; L271-L288 HydrophobicContact CB-CD2 4.19Å; L271-H290 PolarHBondContact N-O 3.09Å; L271-L291 HydrophobicContact CB-CD1 4.02Å; L271-L291 HydrophobicContact CD2-CD1 3.9Å; L271-L291 HydrophobicContact CG-CD1 3.97Å; L271-Y292 PolarHBondContact O-N 3.36Å
272	D	98.9	Very high	97	Very high	23 Å²	23	35.6 Å²	35.6	12%	0.123	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.6	172.3	-164.6	-15.6	0	0	0	111.6	I246 R247 M248 S249 S274 Y292	I246-D272 PolarHBondContact O-N 3.21Å; R247-D272 HydrophobicContact CB-CB 4.45Å; R247-D272 HydrophobicContact CG-CB 4.14Å; M248-D272 CarbonylContact C-O 3.45Å; M248-D272 PolarHBondContact N-O 3.48Å; S249-D272 PolarHBondContact N-O 3.31Å; D272-S274 WeakPolarHBondContact OD1-CB 3.34Å; D272-S274 PolarHBondContact OD1-N 3.22Å; D272-S274 PolarHBondContact OD1-OG 2.89Å; D272-Y292 HydrophobicContact CB-CD2 4.06Å; D272-Y292 WeakPolarHBondContact OD1-CB 3.47Å
273	L	98.8	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.			trans	-121.2	18.6	175.5	-65.7	174.3	0	0	0	111.2	M248 L253 F263 L271 N276 L278 P282 Y292 L293 N296	M248-L273 HydrophobicContact CB-CD2 4.03Å; M248-L273 HydrophobicContact CG-CD2 4.33Å; M248-L273 HydrophobicContact SD-CD2 4.09Å; L253-L273 HydrophobicContact CD1-CD2 3.99Å; F263-L273 HydrophobicContact CD2-CD1 4.24Å; F263-L273 HydrophobicContact CE1-CD1 4.48Å; F263-L273 HydrophobicContact CE1-CD2 4.23Å; F263-L273 HydrophobicContact CE2-CD1 3.82Å; F263-L273 HydrophobicContact CE2-CD2 4.42Å; F263-L273 HydrophobicContact CZ-CD1 3.96Å; F263-L273 HydrophobicContact CZ-CD2 3.79Å; F263-L273 HydrophobicContact CZ-CG 4.47Å; L271-L273 HydrophobicContact CD1-CD1 4.28Å; L271-L273 HydrophobicContact CD1-CD2 4.18Å; L271-L273 HydrophobicContact CD1-CG 3.92Å; L271-L273 HydrophobicContact CD2-CD1 3.87Å; L271-L273 HydrophobicContact CD2-CG 4.33Å; L271-L273 HydrophobicContact CG-CD1 4.04Å; L271-L273 HydrophobicContact CG-CG 3.94Å; L273-N276 PolarHBondContact O-ND2 2.92Å; L273-L278 HydrophobicContact CB-CD1 4.08Å; L273-L278 HydrophobicContact CD1-CD1 4.21Å; L273-P282 HydrophobicContact CD1-CG 3.84Å; L273-Y292 CarbonylContact C-O 3.59Å; L273-Y292 WeakPolarHBondContact CA-O 3.47Å; L273-Y292 PolarHBondContact N-O 3.4Å; L273-L293 HydrophobicContact CB-CD2 3.77Å; L273-L293 HydrophobicContact CD1-CD2 4.17Å; L273-N296 PolarHBondContact O-ND2 2.95Å
274	S	98.9	Very high	97.1	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	19%	0.19	C	C	.	.			trans	-63	156.7	-179.9	63.1	0	0	0	0	112.6	S249 H250 D272 N276 Y292 Q294	S249-S274 CarbonylContact C-O 3.35Å; S249-S274 WeakPolarHBondContact CA-O 3.02Å; S249-S274 WeakPolarHBondContact CB-O 3.02Å; S249-S274 VanDerWaalsContact CB-OG 3.25Å; S249-S274 WeakPolarHBondContact CB-OG 3.12Å; H250-S274 PolarHBondContact N-O 2.86Å; D272-S274 WeakPolarHBondContact OD1-CB 3.34Å; D272-S274 PolarHBondContact OD1-N 3.22Å; D272-S274 PolarHBondContact OD1-OG 2.89Å; S274-N276 VanDerWaalsContact C-N 3.31Å; S274-N276 PolarHBondContact O-N 2.95Å; S274-N276 PolarHBondContact O-ND2 3.05Å; S274-Y292 PolarHBondContact N-O 3.03Å; S274-Q294 CarbonylContact C-O 3.17Å; S274-Q294 VanDerWaalsContact CA-O 3.24Å; S274-Q294 WeakPolarHBondContact CA-O 3.25Å; S274-Q294 WeakPolarHBondContact CB-O 3.23Å; S274-Q294 PolarHBondContact OG-NE2 2.9Å
275	F	98.8	Very high	97.2	Very high	92 Å²	92	34.6 Å²	34.6	40%	0.404	18%	0.175	S	C	.	.	S	Bend	trans	55	42.7	179.2	-63.5	-90.6	0	0	0	113.7	H250 Q294 A295	H250-F275 WeakPolarHBondContact CA-O 3.29Å; H250-F275 HydrophobicContact CB-CB 4.44Å; H250-F275 AromaticContact CD2-CD2 3.97Å; H250-F275 AromaticContact CE1-CD1 3.57Å; H250-F275 AromaticContact CE1-CD2 3.67Å; H250-F275 AromaticContact CE1-CG 3.35Å; H250-F275 WeakPolarHBondContact CE1-CG 3.49Å; H250-F275 PolarHBondContact N-O 2.88Å; H250-F275 AromaticContact ND1-CG 3.79Å; H250-F275 AromaticContact NE2-CD2 3.35Å; H250-F275 WeakPolarHBondContact NE2-CD2 3.26Å; H250-F275 AromaticContact NE2-CE2 3.84Å; H250-F275 AromaticContact NE2-CG 3.52Å; F275-Q294 HydrophobicContact CE2-CG 4.33Å; F275-Q294 PolarHBondContact N-O 2.92Å; F275-A295 WeakPolarHBondContact CA-O 3.3Å; F275-A295 HydrophobicContact CD1-CB 3.49Å; F275-A295 VanDerWaalsContact CD1-CB 3.49Å; F275-A295 HydrophobicContact CD2-CB 4.2Å; F275-A295 HydrophobicContact CE1-CB 3.49Å; F275-A295 VanDerWaalsContact CE1-CB 3.49Å; F275-A295 HydrophobicContact CE2-CB 4.19Å; F275-A295 HydrophobicContact CG-CB 3.86Å; F275-A295 HydrophobicContact CZ-CB 3.85Å
276	N	98.8	Very high	97.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	-109.3	-155.1	170.9	-84.4	-80.2	0	0	0	110.1	M248 N251 L252 L253 L273 S274 L278 N296	M248-N276 PolarHBondContact O-ND2 3.15Å; N251-N276 WeakPolarHBondContact CA-OD1 3.18Å; N251-N276 WeakPolarHBondContact CB-OD1 3.5Å; N251-N276 PolarHBondContact O-OD1 3.21Å; L252-N276 PolarHBondContact N-OD1 2.94Å; L253-N276 HydrophobicContact CB-CB 4.2Å; L253-N276 VanDerWaalsContact CB-OD1 3.28Å; L253-N276 WeakPolarHBondContact CB-OD1 3.23Å; L253-N276 WeakPolarHBondContact CG-OD1 3.43Å; L253-N276 PolarHBondContact N-OD1 2.95Å; L273-N276 PolarHBondContact O-ND2 2.92Å; S274-N276 VanDerWaalsContact C-N 3.31Å; S274-N276 PolarHBondContact O-N 2.95Å; S274-N276 PolarHBondContact O-ND2 3.05Å; N276-L278 HydrophobicContact CB-CG 4.19Å; N276-N296 VanDerWaalsContact CA-OD1 3.24Å; N276-N296 WeakPolarHBondContact CA-OD1 3.36Å; N276-N296 WeakPolarHBondContact CB-OD1 2.97Å; N276-N296 PolarHBondContact N-OD1 3.46Å; N276-N296 PolarHBondContact O-OD1 2.96Å
277	K	98.5	Very high	97.5	Very high	82 Å²	82	32.9 Å²	32.9	36%	0.357	17%	0.165	S	C	.	.			trans	-128	37.7	179.1	-53.4	-63.8	163.9	-151	0	110.8	L253 K254 N296	L253-K277 CarbonylContact O-C 3.34Å; L253-K277 VanDerWaalsContact O-CA 3.28Å; L253-K277 WeakPolarHBondContact O-CA 3.3Å; L253-K277 WeakPolarHBondContact O-CB 3.21Å; L253-K277 PolarHBondContact O-N 3.41Å; K254-K277 HydrophobicContact CG-CB 3.74Å; K277-N296 PolarHBondContact N-OD1 2.92Å
278	L	98.6	Very high	97.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.155	C	C	.	.			trans	-75.8	134.4	-179.3	-56.2	179.4	0	0	0	110.6	L253 I258 L273 N276 L293 N296 Q297 I298	L253-L278 HydrophobicContact CB-CD2 4.21Å; I258-L278 HydrophobicContact CD1-CD2 3.37Å; L273-L278 HydrophobicContact CB-CD1 4.08Å; L273-L278 HydrophobicContact CD1-CD1 4.21Å; N276-L278 HydrophobicContact CB-CG 4.19Å; L278-L293 HydrophobicContact CD1-CD2 3.69Å; L278-N296 HydrophobicContact CB-CB 4.22Å; L278-N296 WeakPolarHBondContact CB-OD1 3.33Å; L278-N296 WeakPolarHBondContact CG-OD1 3.27Å; L278-N296 PolarHBondContact N-OD1 3.42Å; L278-Q297 CarbonylContact O-C 3.45Å; L278-Q297 VanDerWaalsContact O-CA 3.23Å; L278-Q297 WeakPolarHBondContact O-CA 3.2Å; L278-Q297 WeakPolarHBondContact O-CB 3.33Å; L278-Q297 PolarHBondContact O-N 2.98Å; L278-I298 HydrophobicContact CB-CG1 4.45Å; L278-I298 PolarHBondContact O-N 3.21Å; L278-I298 VanDerWaalsContact O-N 3.15Å
279	E	98	Very high	97.8	Very high	87 Å²	87	34.8 Å²	34.8	41%	0.407	17%	0.169	S	C	.	.	S	Bend	trans	-100.2	-14.5	176.1	-65.9	-171.8	-131.5	0	0	112.3	D255 Q297 I298 K299	D255-E279 PolarHBondContact OD1-N 2.79Å; E279-Q297 WeakPolarHBondContact CA-O 3.32Å; E279-Q297 HydrophobicContact CG-CB 4.32Å; E279-I298 WeakPolarHBondContact O-CA 3.33Å; E279-K299 PolarHBondContact O-N 2.03Å; E279-K299 IonicContact OE2-NZ 3.29Å; E279-K299 PolarHBondContact OE2-NZ 2.83Å
280	R	97.3	Very high	97.8	Very high	154 Å²	154	35.3 Å²	35.3	58%	0.581	17%	0.169	S	C	*	.	S	Bend	trans	-138.3	156.8	178.6	-66.2	177.2	-67.2	175.9	5.3	111.6	D255 P282	D255-R280 PolarHBondContact OD1-N 3.41Å; D255-R280 WeakPolarHBondContact OD2-CB 3.33Å; D255-R280 WeakPolarHBondContact OD2-CG 3.07Å; D255-R280 IonicContact OD2-CZ 3.6Å; D255-R280 PolarHBondContact OD2-N 3.15Å; D255-R280 IonicContact OD2-NE 4Å; D255-R280 PolarHBondContact OD2-NE 3.18Å; D255-R280 IonicContact OD2-NH2 2.76Å; D255-R280 PolarHBondContact OD2-NH2 2.96Å; R280-P282 WeakPolarHBondContact O-CD 3.45Å
281	I	97.6	Very high	97.8	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-71	119.8	172.2	-57.1	174.4	0	0	0	108.7	L293 I298 F301 S305 F306 L323	I281-L293 HydrophobicContact CG1-CD1 4.39Å; I281-L293 HydrophobicContact CG2-CD1 3.98Å; I281-I298 HydrophobicContact CG1-CD1 4.24Å; I281-I298 HydrophobicContact CG1-CG2 4.03Å; I281-F301 HydrophobicContact CD1-CD2 3.86Å; I281-F301 HydrophobicContact CD1-CE2 4.19Å; I281-F301 HydrophobicContact CD1-CG 4.38Å; I281-S305 PolarHBondContact O-OG 2.9Å; I281-F306 HydrophobicContact CD1-CE2 4Å; I281-F306 HydrophobicContact CD1-CZ 4Å; I281-F306 HydrophobicContact CG2-CE1 4.18Å; I281-F306 HydrophobicContact CG2-CE2 4.15Å; I281-F306 HydrophobicContact CG2-CZ 3.7Å; I281-L323 HydrophobicContact CD1-CD1 4.32Å; I281-L323 HydrophobicContact CD1-CD2 4.21Å; I281-L323 HydrophobicContact CG1-CD2 4.25Å
282	P	97.1	Very high	97.8	Very high	20 Å²	20	36.5 Å²	36.5	13%	0.13	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-67.5	151	177.8	28.7	-34.3	0	0	0	111.4	F263 L273 R280 V284	F263-P282 HydrophobicContact CD2-CB 3.97Å; F263-P282 HydrophobicContact CD2-CG 4.31Å; F263-P282 HydrophobicContact CE2-CB 4.45Å; L273-P282 HydrophobicContact CD1-CG 3.84Å; R280-P282 WeakPolarHBondContact O-CD 3.45Å; P282-V284 PolarHBondContact O-N 3.11Å
283	T	96.3	Very high	97.8	Very high	50 Å²	50	35.4 Å²	35.4	31%	0.307	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-67.2	126.3	173.5	-53.1	0	0	0	0	110.5	S305	T283-S305 WeakPolarHBondContact CA-O 3.26Å
284	V	96.9	Very high	97.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	17%	0.172	C	C	.	.			trans	-121.6	162.5	-179.5	-65.1	0	0	0	0	111.1	F263 L271 P282 L288 L291 S305 F306	F263-V284 HydrophobicContact CB-CG1 4.33Å; L271-V284 HydrophobicContact CD2-CG1 4.17Å; P282-V284 PolarHBondContact O-N 3.11Å; V284-L288 HydrophobicContact CB-CD2 3.88Å; V284-L288 HydrophobicContact CG1-CD2 3.88Å; V284-L288 HydrophobicContact CG2-CD2 4.16Å; V284-L291 HydrophobicContact CG1-CD2 4.37Å; V284-S305 PolarHBondContact N-O 3.33Å; V284-F306 HydrophobicContact CG2-CD1 4.01Å
285	S	95.5	Very high	97.8	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	18%	0.183	C	C	.	.			trans	-71.2	148.3	173.6	-163.1	0	0	0	0	111.3	N264 I265 T287 L288	N264-S285 WeakPolarHBondContact OD1-CA 3.22Å; I265-S285 WeakPolarHBondContact O-CB 3.28Å; S285-T287 PolarHBondContact O-N 2.84Å; S285-T287 VanDerWaalsContact O-N 3.13Å; S285-T287 PolarHBondContact OG-OG1 3.17Å; S285-L288 WeakPolarHBondContact O-CB 3.28Å; S285-L288 PolarHBondContact O-N 3.07Å
286	T	95.8	Very high	97.8	Very high	53 Å²	53	33.9 Å²	33.9	33%	0.325	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.5	174.7	52.5	0	0	0	0	113	F306 R317	T286-F306 WeakPolarHBondContact CG2-O 3.24Å; T286-R317 WeakPolarHBondContact O-CB 3.37Å; T286-R317 WeakPolarHBondContact O-CG 3.45Å; T286-R317 PolarHBondContact O-N 3.3Å
287	T	96.1	Very high	97.7	Very high	35 Å²	35	37.2 Å²	37.2	22%	0.215	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.2	177.1	56.7	0	0	0	0	114.2	T266 S285	T266-T287 WeakPolarHBondContact CA-OG1 3.29Å; T266-T287 WeakPolarHBondContact O-CB 3.42Å; T266-T287 PolarHBondContact O-OG1 3.17Å; S285-T287 PolarHBondContact O-N 2.84Å; S285-T287 VanDerWaalsContact O-N 3.13Å; S285-T287 PolarHBondContact OG-OG1 3.17Å
288	L	97.8	Very high	97.7	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.165	C	C	.	.			trans	-60.9	138.9	-177.6	-171.5	68.6	0	0	0	111.1	L268 V269 L271 V284 S285 L291 R317 L318	L268-L288 HydrophobicContact CB-CD1 4.03Å; L268-L288 HydrophobicContact CD2-CD1 3.91Å; L268-L288 HydrophobicContact CG-CD1 3.69Å; V269-L288 WeakPolarHBondContact O-CD1 3.45Å; L271-L288 HydrophobicContact CB-CD1 4.14Å; L271-L288 HydrophobicContact CB-CD2 4.19Å; V284-L288 HydrophobicContact CB-CD2 3.88Å; V284-L288 HydrophobicContact CG1-CD2 3.88Å; V284-L288 HydrophobicContact CG2-CD2 4.16Å; S285-L288 WeakPolarHBondContact O-CB 3.28Å; S285-L288 PolarHBondContact O-N 3.07Å; L288-L291 HydrophobicContact CD2-CB 4Å; L288-L291 HydrophobicContact CD2-CD1 4.15Å; L288-L291 HydrophobicContact CD2-CG 4.46Å; L288-R317 CarbonylContact O-C 3.52Å; L288-R317 VanDerWaalsContact O-C 3.3Å; L288-L318 HydrophobicContact CB-CD1 4.48Å; L288-L318 HydrophobicContact CD2-CD1 4.28Å; L288-L318 HydrophobicContact CG-CD1 4.18Å; L288-L318 WeakPolarHBondContact O-CA 3.5Å; L288-L318 PolarHBondContact O-N 3.47Å; L288-L318 VanDerWaalsContact O-N 3.09Å
289	Q	98.1	Very high	97.6	Very high	62 Å²	62	38.3 Å²	38.3	29%	0.29	19%	0.187	S	C	.	.			trans	-108.6	-37.7	-176.1	-62.9	-178.2	41.6	0	0	112.7	V269 Q319 T320	V269-Q289 HydrophobicContact CG1-CB 4.25Å; V269-Q289 HydrophobicContact CG1-CG 4.44Å; V269-Q289 PolarHBondContact O-N 2.98Å; Q289-Q319 PolarHBondContact O-N 3.3Å; Q289-Q319 VanDerWaalsContact OE1-NE2 3.14Å; Q289-T320 PolarHBondContact O-N 3.01Å; Q289-T320 VanDerWaalsContact O-N 3.09Å
290	H	98.7	Very high	97.5	Very high	37 Å²	37	40.4 Å²	40.4	17%	0.171	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.2	-178	-51	-69.3	0	0	0	110.4	V269 E270 L271 Y292 T320	V269-H290 PolarHBondContact O-N 3.22Å; E270-H290 HydrophobicContact CB-CB 4.43Å; E270-H290 HydrophobicContact CG-CB 4.32Å; L271-H290 PolarHBondContact N-O 3.09Å; H290-Y292 HydrophobicContact CB-CE2 3.9Å; H290-T320 PolarHBondContact ND1-OG1 3.34Å
291	L	98.8	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120	176.7	-178.1	60.3	0	0	0	110.4	L271 V284 L288 L293 F306 L318 T320 L321 R322	L271-L291 HydrophobicContact CB-CD1 4.02Å; L271-L291 HydrophobicContact CD2-CD1 3.9Å; L271-L291 HydrophobicContact CG-CD1 3.97Å; V284-L291 HydrophobicContact CG1-CD2 4.37Å; L288-L291 HydrophobicContact CD2-CB 4Å; L288-L291 HydrophobicContact CD2-CD1 4.15Å; L288-L291 HydrophobicContact CD2-CG 4.46Å; L291-L293 HydrophobicContact CD1-CD1 4.27Å; L291-L293 HydrophobicContact CD1-CG 4.12Å; L291-L293 HydrophobicContact CD2-CD1 3.68Å; L291-L293 HydrophobicContact CD2-CG 4.37Å; L291-L293 HydrophobicContact CG-CD1 3.87Å; L291-L293 HydrophobicContact CG-CG 4.01Å; L291-F306 HydrophobicContact CD2-CE1 3.79Å; L291-L318 HydrophobicContact CB-CD1 3.79Å; L291-L318 HydrophobicContact CB-CD2 4.49Å; L291-T320 PolarHBondContact N-O 3.33Å; L291-L321 HydrophobicContact CB-CD1 4.12Å; L291-L321 HydrophobicContact CD2-CD1 3.91Å; L291-L321 HydrophobicContact CG-CD1 4.09Å; L291-L321 WeakPolarHBondContact O-CA 3.38Å; L291-R322 PolarHBondContact O-N 3.25Å
292	Y	98.9	Very high	97.3	Very high	50 Å²	50	35.7 Å²	35.7	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.9	178.6	-53.9	-77.6	0	0	0	109.8	E270 L271 D272 L273 S274 H290 T320 R322	E270-Y292 HydrophobicContact CG-CD2 4.39Å; E270-Y292 HydrophobicContact CG-CE2 3.9Å; L271-Y292 PolarHBondContact O-N 3.36Å; D272-Y292 HydrophobicContact CB-CD2 4.06Å; D272-Y292 WeakPolarHBondContact OD1-CB 3.47Å; L273-Y292 CarbonylContact C-O 3.59Å; L273-Y292 WeakPolarHBondContact CA-O 3.47Å; L273-Y292 PolarHBondContact N-O 3.4Å; S274-Y292 PolarHBondContact N-O 3.03Å; H290-Y292 HydrophobicContact CB-CE2 3.9Å; Y292-T320 HydrophobicContact CE1-CG2 4.23Å; Y292-R322 HydrophobicContact CD1-CB 4.12Å; Y292-R322 HydrophobicContact CD1-CG 3.84Å; Y292-R322 HydrophobicContact CE1-CG 4.24Å
293	L	98.8	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.			trans	-131.3	12.3	-178.3	-72.7	168.4	0	0	0	111.7	L273 L278 I281 L291 N296 I298 R322 L323 N326	L273-L293 HydrophobicContact CB-CD2 3.77Å; L273-L293 HydrophobicContact CD1-CD2 4.17Å; L278-L293 HydrophobicContact CD1-CD2 3.69Å; I281-L293 HydrophobicContact CG1-CD1 4.39Å; I281-L293 HydrophobicContact CG2-CD1 3.98Å; L291-L293 HydrophobicContact CD1-CD1 4.27Å; L291-L293 HydrophobicContact CD1-CG 4.12Å; L291-L293 HydrophobicContact CD2-CD1 3.68Å; L291-L293 HydrophobicContact CD2-CG 4.37Å; L291-L293 HydrophobicContact CG-CD1 3.87Å; L291-L293 HydrophobicContact CG-CG 4.01Å; L293-N296 PolarHBondContact O-ND2 3.35Å; L293-I298 HydrophobicContact CB-CD1 3.97Å; L293-I298 HydrophobicContact CD1-CD1 4.16Å; L293-I298 HydrophobicContact CD2-CD1 4.37Å; L293-I298 HydrophobicContact CG-CD1 4.42Å; L293-R322 CarbonylContact C-O 3.3Å; L293-R322 WeakPolarHBondContact CA-O 3.45Å; L293-R322 WeakPolarHBondContact CB-O 3.17Å; L293-R322 PolarHBondContact N-O 3.19Å; L293-L323 HydrophobicContact CB-CD2 3.85Å; L293-L323 HydrophobicContact CD1-CD2 3.92Å; L293-N326 PolarHBondContact O-ND2 3.08Å
294	Q	98.6	Very high	97.1	Very high	21 Å²	21	35.9 Å²	35.9	10%	0.098	19%	0.194	C	C	.	.			trans	-59.9	152	-180	70	-81.8	6.8	0	0	112.2	S274 F275 N296 R322 D324	S274-Q294 CarbonylContact C-O 3.17Å; S274-Q294 VanDerWaalsContact CA-O 3.24Å; S274-Q294 WeakPolarHBondContact CA-O 3.25Å; S274-Q294 WeakPolarHBondContact CB-O 3.23Å; S274-Q294 PolarHBondContact OG-NE2 2.9Å; F275-Q294 HydrophobicContact CE2-CG 4.33Å; F275-Q294 PolarHBondContact N-O 2.92Å; Q294-N296 PolarHBondContact O-N 3.36Å; Q294-R322 HydrophobicContact CB-CB 4.43Å; Q294-R322 PolarHBondContact N-O 2.74Å; Q294-R322 VanDerWaalsContact OE1-CB 3.31Å; Q294-D324 CarbonylContact C-O 3.12Å; Q294-D324 WeakPolarHBondContact CA-O 3.21Å; Q294-D324 WeakPolarHBondContact CB-O 3.14Å
295	A	98.5	Very high	97	Very high	31 Å²	31	36.1 Å²	36.1	26%	0.256	20%	0.196	S	C	.	.	S	Bend	trans	56.2	46.3	-179.9	0	0	0	0	0	114	F275 D324 G325	F275-A295 WeakPolarHBondContact CA-O 3.3Å; F275-A295 HydrophobicContact CD1-CB 3.49Å; F275-A295 VanDerWaalsContact CD1-CB 3.49Å; F275-A295 HydrophobicContact CD2-CB 4.2Å; F275-A295 HydrophobicContact CE1-CB 3.49Å; F275-A295 VanDerWaalsContact CE1-CB 3.49Å; F275-A295 HydrophobicContact CE2-CB 4.19Å; F275-A295 HydrophobicContact CG-CB 3.86Å; F275-A295 HydrophobicContact CZ-CB 3.85Å; A295-D324 PolarHBondContact N-O 2.93Å; A295-G325 WeakPolarHBondContact CA-O 3.36Å
296	N	98.8	Very high	97.1	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.059	19%	0.194	C	C	.	.	S	Bend	trans	-108.8	-158	169	-85.2	-78	0	0	0	110	L273 N276 K277 L278 L293 Q294 I298 N326	L273-N296 PolarHBondContact O-ND2 2.95Å; N276-N296 VanDerWaalsContact CA-OD1 3.24Å; N276-N296 WeakPolarHBondContact CA-OD1 3.36Å; N276-N296 WeakPolarHBondContact CB-OD1 2.97Å; N276-N296 PolarHBondContact N-OD1 3.46Å; N276-N296 PolarHBondContact O-OD1 2.96Å; K277-N296 PolarHBondContact N-OD1 2.92Å; L278-N296 HydrophobicContact CB-CB 4.22Å; L278-N296 WeakPolarHBondContact CB-OD1 3.33Å; L278-N296 WeakPolarHBondContact CG-OD1 3.27Å; L278-N296 PolarHBondContact N-OD1 3.42Å; L293-N296 PolarHBondContact O-ND2 3.35Å; Q294-N296 PolarHBondContact O-N 3.36Å; N296-I298 HydrophobicContact CB-CD1 4.24Å; N296-I298 HydrophobicContact CB-CG1 4.1Å; N296-N326 WeakPolarHBondContact CA-OD1 3.29Å; N296-N326 WeakPolarHBondContact CB-OD1 3.12Å; N296-N326 PolarHBondContact N-OD1 3.36Å; N296-N326 PolarHBondContact O-OD1 3.16Å
297	Q	98.4	Very high	97	Very high	72 Å²	72	33.6 Å²	33.6	34%	0.336	18%	0.18	S	C	.	.			trans	-123	30.1	178.7	-63.1	175.9	-22.8	0	0	110.8	L278 E279 K299 N326	L278-Q297 CarbonylContact O-C 3.45Å; L278-Q297 VanDerWaalsContact O-CA 3.23Å; L278-Q297 WeakPolarHBondContact O-CA 3.2Å; L278-Q297 WeakPolarHBondContact O-CB 3.33Å; L278-Q297 PolarHBondContact O-N 2.98Å; E279-Q297 WeakPolarHBondContact CA-O 3.32Å; E279-Q297 HydrophobicContact CG-CB 4.32Å; Q297-K299 PolarHBondContact O-N 3.1Å; Q297-N326 PolarHBondContact N-OD1 3.09Å
298	I	98.4	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.			trans	-68.2	129.1	-174.2	-61.9	168.2	0	0	0	109.1	L278 E279 I281 L293 N296 L323 N326 E327 I328	L278-I298 HydrophobicContact CB-CG1 4.45Å; L278-I298 PolarHBondContact O-N 3.21Å; L278-I298 VanDerWaalsContact O-N 3.15Å; E279-I298 WeakPolarHBondContact O-CA 3.33Å; I281-I298 HydrophobicContact CG1-CD1 4.24Å; I281-I298 HydrophobicContact CG1-CG2 4.03Å; L293-I298 HydrophobicContact CB-CD1 3.97Å; L293-I298 HydrophobicContact CD1-CD1 4.16Å; L293-I298 HydrophobicContact CD2-CD1 4.37Å; L293-I298 HydrophobicContact CG-CD1 4.42Å; N296-I298 HydrophobicContact CB-CD1 4.24Å; N296-I298 HydrophobicContact CB-CG1 4.1Å; I298-L323 HydrophobicContact CD1-CD2 3.88Å; I298-N326 HydrophobicContact CB-CB 4.05Å; I298-N326 VanDerWaalsContact CB-OD1 3.28Å; I298-N326 WeakPolarHBondContact CB-OD1 3.12Å; I298-N326 WeakPolarHBondContact CG1-OD1 3.38Å; I298-N326 PolarHBondContact N-OD1 3.19Å; I298-E327 CarbonylContact O-C 3.32Å; I298-E327 VanDerWaalsContact O-C 3.23Å; I298-E327 VanDerWaalsContact O-CA 3.26Å; I298-E327 WeakPolarHBondContact O-CA 3.23Å; I298-E327 WeakPolarHBondContact O-CB 3.24Å; I298-E327 PolarHBondContact O-N 3.02Å; I298-I328 HydrophobicContact CG2-CG2 4.31Å; I298-I328 WeakPolarHBondContact O-CG2 3.36Å
299	K	96.4	Very high	96.2	Very high	105 Å²	105	41.2 Å²	41.2	46%	0.457	23%	0.229	S	C	.	.			trans	-110.9	-15	-175.3	-66.8	164.9	-170.9	163.2	0	114.4	E279 Q297 E327	E279-K299 PolarHBondContact O-N 2.03Å; E279-K299 IonicContact OE2-NZ 3.29Å; E279-K299 PolarHBondContact OE2-NZ 2.83Å; Q297-K299 PolarHBondContact O-N 3.1Å; K299-E327 WeakPolarHBondContact CE-OE2 3.2Å; K299-E327 HydrophobicContact CG-CB 4Å
300	E	95.9	Very high	95.9	Very high	131 Å²	131	41.1 Å²	41.1	61%	0.612	23%	0.232	S	C	*	.			trans	-142.6	137.3	-174.7	-175.3	-179.2	-175.5	0	0	110.6
301	F	96.4	Very high	95.5	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.053	24%	0.239	C	C	.	.			trans	-87.8	109	171	-170.8	-85	0	0	0	110.6	I281 L303 F306 L321 L323 I333 S337 L341	I281-F301 HydrophobicContact CD1-CD2 3.86Å; I281-F301 HydrophobicContact CD1-CE2 4.19Å; I281-F301 HydrophobicContact CD1-CG 4.38Å; F301-L303 HydrophobicContact CE1-CD1 4.28Å; F301-F306 HydrophobicContact CE1-CE2 4.23Å; F301-F306 AromaticContact CE2-CE2 3.98Å; F301-F306 HydrophobicContact CE2-CE2 3.98Å; F301-F306 HydrophobicContact CE2-CZ 4.39Å; F301-F306 HydrophobicContact CZ-CD2 4.33Å; F301-F306 AromaticContact CZ-CE2 3.64Å; F301-F306 HydrophobicContact CZ-CE2 3.64Å; F301-F306 HydrophobicContact CZ-CZ 4.39Å; F301-L321 HydrophobicContact CE2-CD2 4.07Å; F301-L323 HydrophobicContact CD2-CD1 3.88Å; F301-L323 HydrophobicContact CE2-CD1 3.83Å; F301-I333 HydrophobicContact CB-CG1 4.44Å; F301-I333 HydrophobicContact CD1-CG2 4.39Å; F301-I333 HydrophobicContact CD2-CD1 3.76Å; F301-I333 HydrophobicContact CD2-CG1 3.81Å; F301-I333 HydrophobicContact CE1-CG2 4.2Å; F301-I333 HydrophobicContact CE2-CD1 3.69Å; F301-I333 HydrophobicContact CE2-CG1 4.17Å; F301-I333 HydrophobicContact CG-CD1 4.42Å; F301-I333 HydrophobicContact CG-CG1 4Å; F301-I333 HydrophobicContact CZ-CD1 4.31Å; F301-I333 HydrophobicContact CZ-CG2 4.28Å; F301-S337 WeakPolarHBondContact CE1-OG 3.38Å; F301-L341 HydrophobicContact CZ-CD1 3.96Å
302	S	94	Very high	95	Very high	48 Å²	48	48.2 Å²	48.2	34%	0.336	28%	0.275	S	S	.	.			trans	-101.9	108.7	178	175.2	0	0	0	0	111.5	G304 S305	S302-G304 PolarHBondContact O-N 3.47Å; S302-S305 WeakPolarHBondContact O-CB 3.27Å; S302-S305 PolarHBondContact O-N 3.28Å
303	L	93.8	Very high	94.5	Very high	34 Å²	34	51 Å²	51	18%	0.178	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-62.6	-32.8	177.3	-169.6	59.4	0	0	0	112.7	F301 S305 F306 C307 E336 C340	F301-L303 HydrophobicContact CE1-CD1 4.28Å; L303-S305 PolarHBondContact O-N 3.03Å; L303-F306 PolarHBondContact O-N 3.32Å; L303-F306 VanDerWaalsContact O-N 3.07Å; L303-C307 PolarHBondContact O-N 2.93Å; L303-C307 VanDerWaalsContact O-N 3.13Å; L303-E336 HydrophobicContact CD2-CG 4.29Å; L303-C340 HydrophobicContact CD1-CB 3.7Å; L303-C340 HydrophobicContact CD2-CB 4.44Å; L303-C340 HydrophobicContact CG-CB 4.21Å
304	G	94.1	Very high	94.1	Very high	41 Å²	41	54.9 Å²	54.9	42%	0.423	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-63.7	-20.3	178.8	0	0	0	0	0	114	S302 F306	S302-G304 PolarHBondContact O-N 3.47Å; G304-F306 PolarHBondContact O-N 3.22Å
305	S	95.7	Very high	93.9	Very high	9 Å²	9	56 Å²	56	6%	0.063	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-68.6	-22.2	174.3	-65.3	0	0	0	0	113	I281 T283 V284 S302 L303	I281-S305 PolarHBondContact O-OG 2.9Å; T283-S305 WeakPolarHBondContact CA-O 3.26Å; V284-S305 PolarHBondContact N-O 3.33Å; S302-S305 WeakPolarHBondContact O-CB 3.27Å; S302-S305 PolarHBondContact O-N 3.28Å; L303-S305 PolarHBondContact O-N 3.03Å
306	F	96.5	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-40.4	179	-54.4	-78.6	0	0	0	112.7	I281 V284 T286 L291 F301 L303 G304 L318 L321 L341	I281-F306 HydrophobicContact CD1-CE2 4Å; I281-F306 HydrophobicContact CD1-CZ 4Å; I281-F306 HydrophobicContact CG2-CE1 4.18Å; I281-F306 HydrophobicContact CG2-CE2 4.15Å; I281-F306 HydrophobicContact CG2-CZ 3.7Å; V284-F306 HydrophobicContact CG2-CD1 4.01Å; T286-F306 WeakPolarHBondContact CG2-O 3.24Å; L291-F306 HydrophobicContact CD2-CE1 3.79Å; F301-F306 HydrophobicContact CE1-CE2 4.23Å; F301-F306 AromaticContact CE2-CE2 3.98Å; F301-F306 HydrophobicContact CE2-CE2 3.98Å; F301-F306 HydrophobicContact CE2-CZ 4.39Å; F301-F306 HydrophobicContact CZ-CD2 4.33Å; F301-F306 AromaticContact CZ-CE2 3.64Å; F301-F306 HydrophobicContact CZ-CE2 3.64Å; F301-F306 HydrophobicContact CZ-CZ 4.39Å; L303-F306 PolarHBondContact O-N 3.32Å; L303-F306 VanDerWaalsContact O-N 3.07Å; G304-F306 PolarHBondContact O-N 3.22Å; F306-L318 HydrophobicContact CD1-CD2 4.07Å; F306-L318 HydrophobicContact CE1-CD2 3.86Å; F306-L321 HydrophobicContact CE1-CD1 4.21Å; F306-L321 HydrophobicContact CE1-CD2 4.17Å; F306-L321 HydrophobicContact CZ-CD1 4.19Å; F306-L321 HydrophobicContact CZ-CD2 3.73Å; F306-L341 HydrophobicContact CB-CD2 3.97Å; F306-L341 HydrophobicContact CD1-CD2 4.13Å; F306-L341 HydrophobicContact CD2-CD2 4.39Å; F306-L341 HydrophobicContact CG-CD2 3.92Å
307	C	94	Very high	93.7	Very high	5 Å²	5	60 Å²	60	3%	0.034	33%	0.331	C	S	.	.			trans	-136.4	105.3	-178.4	-59.1	0	0	0	0	110.3	L303 V309 V310 S316 C340	L303-C307 PolarHBondContact O-N 2.93Å; L303-C307 VanDerWaalsContact O-N 3.13Å; C307-V309 PolarHBondContact O-N 2.94Å; C307-V310 HydrophobicContact CB-CG2 3.64Å; C307-S316 PolarHBondContact SG-N 2.9Å; C307-S316 VanDerWaalsContact SG-N 3.42Å; C307-C340 HydrophobicContact CB-CB 3.81Å; C307-C340 WeakPolarHBondContact CB-SG 3.34Å; C307-C340 WeakPolarHBondContact SG-CB 3.4Å; C307-C340 CovalentContact SG-SG 2.03Å; C307-C340 PolarHBondContact SG-SG 3.48Å
308	P	88	Confident	93.7	Very high	102 Å²	102	56.6 Å²	56.6	66%	0.662	32%	0.315	S	S	*	.	S	Bend	trans	-63	-32.9	173.1	-23.6	34	0	0	0	112.9
309	V	89.8	Confident	93.7	Very high	95 Å²	95	59.9 Å²	59.9	58%	0.576	33%	0.33	S	S	*	.	S	Bend	trans	-137.2	139.8	176.2	-178.9	0	0	0	0	107.9	C307	C307-V309 PolarHBondContact O-N 2.94Å
310	V	91.3	Very high	93.8	Very high	59 Å²	59	56.1 Å²	56.1	36%	0.358	32%	0.316	S	S	.	.			trans	-119.7	118.9	179.2	-177	0	0	0	0	109.6	C307 N314 L339 C340	C307-V310 HydrophobicContact CB-CG2 3.64Å; V310-N314 WeakPolarHBondContact CA-O 3.4Å; V310-L339 HydrophobicContact CG1-CB 3.91Å; V310-L339 WeakPolarHBondContact CG1-O 3.48Å; V310-C340 HydrophobicContact CG2-CB 3.91Å
311	D	90.7	Very high	93.9	Very high	59 Å²	59	49.9 Å²	49.9	32%	0.316	29%	0.287	S	S	.	.	S	Bend	trans	-146.7	-167.1	172.8	67	47.4	0	0	0	111.4	T313 N314 R342	D311-T313 PolarHBondContact O-N 3.44Å; D311-T313 WeakPolarHBondContact OD1-CA 3.39Å; D311-T313 PolarHBondContact OD1-N 2.99Å; D311-T313 PolarHBondContact OD1-OG1 3.34Å; D311-N314 PolarHBondContact N-O 2.81Å; D311-N314 VanDerWaalsContact N-O 3.08Å; D311-N314 PolarHBondContact OD1-N 3.24Å; D311-N314 PolarHBondContact OD2-ND2 3.44Å; D311-R342 PolarHBondContact O-NH2 3.01Å
312	V	87.4	Confident	94	Very high	127 Å²	127	52.7 Å²	52.7	77%	0.77	30%	0.297	S	S	*	.	S	Bend	trans	-62.7	-31.5	-178.1	-174.5	0	0	0	0	112	F315 R342	V312-F315 WeakPolarHBondContact O-CE1 3.3Å; V312-R342 PolarHBondContact O-NH1 3.31Å
313	T	88.4	Confident	94.2	Very high	110 Å²	110	50.4 Å²	50.4	68%	0.675	28%	0.281	S	S	*	.	S	Bend	trans	-103.8	-26.5	-177	57.2	0	0	0	0	114.2	D311	D311-T313 PolarHBondContact O-N 3.44Å; D311-T313 WeakPolarHBondContact OD1-CA 3.39Å; D311-T313 PolarHBondContact OD1-N 2.99Å; D311-T313 PolarHBondContact OD1-OG1 3.34Å
314	N	91.2	Very high	94.4	Very high	80 Å²	80	50.6 Å²	50.6	43%	0.428	28%	0.282	S	S	.	.			trans	-102.7	102.3	-177.6	-68.3	-47.8	0	0	0	110.3	V310 D311	V310-N314 WeakPolarHBondContact CA-O 3.4Å; D311-N314 PolarHBondContact N-O 2.81Å; D311-N314 VanDerWaalsContact N-O 3.08Å; D311-N314 PolarHBondContact OD1-N 3.24Å; D311-N314 PolarHBondContact OD2-ND2 3.44Å
315	F	94.7	Very high	94.6	Very high	44 Å²	44	51.2 Å²	51.2	19%	0.193	29%	0.289	C	S	.	.			trans	-155.1	163.9	175.6	58.2	-90.2	0	0	0	109.5	V312 R342 W343	V312-F315 WeakPolarHBondContact O-CE1 3.3Å; F315-R342 HydrophobicContact CD2-CB 4.41Å; F315-W343 HydrophobicContact CE2-CD2 4.36Å; F315-W343 AromaticContact CE2-CE2 3.82Å; F315-W343 HydrophobicContact CE2-CZ2 4.1Å; F315-W343 AromaticContact CE2-NE1 3.78Å; F315-W343 HydrophobicContact CZ-CZ2 4.42Å
316	S	96.9	Very high	94.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.			trans	-81.2	141.2	-178.5	-178.5	0	0	0	0	111.6	C307 L318 C340	C307-S316 PolarHBondContact SG-N 2.9Å; C307-S316 VanDerWaalsContact SG-N 3.42Å; S316-L318 VanDerWaalsContact C-N 3.26Å; S316-L318 WeakPolarHBondContact OG-CB 3.49Å; S316-L318 PolarHBondContact OG-N 2.89Å; S316-C340 PolarHBondContact N-O 3.22Å
317	R	96.8	Very high	94.8	Very high	128 Å²	128	57.5 Å²	57.5	48%	0.483	32%	0.318	S	S	.	.			trans	-87.6	8.2	173.1	-63.4	-171.3	179.7	-178.1	0.1	113.2	T286 L288 Q319 W343	T286-R317 WeakPolarHBondContact O-CB 3.37Å; T286-R317 WeakPolarHBondContact O-CG 3.45Å; T286-R317 PolarHBondContact O-N 3.3Å; L288-R317 CarbonylContact O-C 3.52Å; L288-R317 VanDerWaalsContact O-C 3.3Å; R317-Q319 PolarHBondContact O-N 2.66Å; R317-W343 HydrophobicContact CB-CE3 3.84Å; R317-W343 HydrophobicContact CB-CZ3 4.02Å; R317-W343 HydrophobicContact CG-CE3 3.93Å; R317-W343 HydrophobicContact CG-CH2 4.43Å; R317-W343 HydrophobicContact CG-CZ3 3.72Å
318	L	98	Very high	94.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.32	C	S	.	.			trans	-59	126.8	-178.7	-160.8	73.4	0	0	0	110.5	L288 L291 F306 S316 L321 L341 W343 A344	L288-L318 HydrophobicContact CB-CD1 4.48Å; L288-L318 HydrophobicContact CD2-CD1 4.28Å; L288-L318 HydrophobicContact CG-CD1 4.18Å; L288-L318 WeakPolarHBondContact O-CA 3.5Å; L288-L318 PolarHBondContact O-N 3.47Å; L288-L318 VanDerWaalsContact O-N 3.09Å; L291-L318 HydrophobicContact CB-CD1 3.79Å; L291-L318 HydrophobicContact CB-CD2 4.49Å; F306-L318 HydrophobicContact CD1-CD2 4.07Å; F306-L318 HydrophobicContact CE1-CD2 3.86Å; S316-L318 VanDerWaalsContact C-N 3.26Å; S316-L318 WeakPolarHBondContact OG-CB 3.49Å; S316-L318 PolarHBondContact OG-N 2.89Å; L318-L321 HydrophobicContact CD2-CB 3.82Å; L318-L321 HydrophobicContact CD2-CD1 4.19Å; L318-L321 HydrophobicContact CD2-CD2 4.21Å; L318-L321 HydrophobicContact CD2-CG 4.3Å; L318-L341 HydrophobicContact CB-CD2 4.33Å; L318-L341 HydrophobicContact CD2-CD2 4.18Å; L318-W343 CarbonylContact O-C 3.47Å; L318-A344 VanDerWaalsContact O-CA 3.24Å; L318-A344 WeakPolarHBondContact O-CA 3.22Å; L318-A344 PolarHBondContact O-N 2.94Å
319	Q	98	Very high	95.2	Very high	68 Å²	68	55.3 Å²	55.3	32%	0.318	30%	0.304	S	S	.	.			trans	-103.8	-37.2	179.1	-63.4	177	17.6	0	0	111.4	Q289 R317 S345 S346	Q289-Q319 PolarHBondContact O-N 3.3Å; Q289-Q319 VanDerWaalsContact OE1-NE2 3.14Å; R317-Q319 PolarHBondContact O-N 2.66Å; Q319-S345 PolarHBondContact O-N 3.37Å; Q319-S345 PolarHBondContact O-OG 3.22Å; Q319-S345 VanDerWaalsContact O-OG 3.07Å; Q319-S346 PolarHBondContact O-N 3.46Å
320	T	98.4	Very high	95.3	Very high	26 Å²	26	56.7 Å²	56.7	16%	0.16	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.7	-178.3	-46.8	0	0	0	0	109.5	Q289 H290 L291 Y292 R322 S346	Q289-T320 PolarHBondContact O-N 3.01Å; Q289-T320 VanDerWaalsContact O-N 3.09Å; H290-T320 PolarHBondContact ND1-OG1 3.34Å; L291-T320 PolarHBondContact N-O 3.33Å; Y292-T320 HydrophobicContact CE1-CG2 4.23Å; T320-R322 HydrophobicContact CG2-CG 4.5Å; T320-S346 WeakPolarHBondContact CA-O 3.48Å
321	L	98.3	Very high	95.4	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.3	170.5	-180	55	0	0	0	108.9	L291 F301 F306 L318 L323 L341 S346 I347 Q348	L291-L321 HydrophobicContact CB-CD1 4.12Å; L291-L321 HydrophobicContact CD2-CD1 3.91Å; L291-L321 HydrophobicContact CG-CD1 4.09Å; L291-L321 WeakPolarHBondContact O-CA 3.38Å; F301-L321 HydrophobicContact CE2-CD2 4.07Å; F306-L321 HydrophobicContact CE1-CD1 4.21Å; F306-L321 HydrophobicContact CE1-CD2 4.17Å; F306-L321 HydrophobicContact CZ-CD1 4.19Å; F306-L321 HydrophobicContact CZ-CD2 3.73Å; L318-L321 HydrophobicContact CD2-CB 3.82Å; L318-L321 HydrophobicContact CD2-CD1 4.19Å; L318-L321 HydrophobicContact CD2-CD2 4.21Å; L318-L321 HydrophobicContact CD2-CG 4.3Å; L321-L323 HydrophobicContact CD1-CD1 4.19Å; L321-L323 HydrophobicContact CD1-CD2 4.48Å; L321-L323 HydrophobicContact CD1-CG 4.02Å; L321-L323 HydrophobicContact CD2-CD1 3.76Å; L321-L323 HydrophobicContact CD2-CG 4.45Å; L321-L323 HydrophobicContact CG-CD1 3.87Å; L321-L323 HydrophobicContact CG-CG 4.02Å; L321-L341 HydrophobicContact CD2-CD1 4.29Å; L321-S346 PolarHBondContact N-O 3.26Å; L321-I347 HydrophobicContact CB-CG1 4.3Å; L321-I347 HydrophobicContact CB-CG2 4.44Å; L321-I347 HydrophobicContact CD2-CG2 4.25Å; L321-I347 HydrophobicContact CG-CG2 4.44Å; L321-I347 WeakPolarHBondContact O-CA 3.28Å; L321-Q348 PolarHBondContact O-N 2.82Å
322	R	98.4	Very high	95.6	Very high	70 Å²	70	63.7 Å²	63.7	26%	0.264	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.9	171.7	-68.6	-156.8	67.5	169	12.2	110.6	L291 Y292 L293 Q294 T320 D324 Q348	L291-R322 PolarHBondContact O-N 3.25Å; Y292-R322 HydrophobicContact CD1-CB 4.12Å; Y292-R322 HydrophobicContact CD1-CG 3.84Å; Y292-R322 HydrophobicContact CE1-CG 4.24Å; L293-R322 CarbonylContact C-O 3.3Å; L293-R322 WeakPolarHBondContact CA-O 3.45Å; L293-R322 WeakPolarHBondContact CB-O 3.17Å; L293-R322 PolarHBondContact N-O 3.19Å; Q294-R322 HydrophobicContact CB-CB 4.43Å; Q294-R322 PolarHBondContact N-O 2.74Å; Q294-R322 VanDerWaalsContact OE1-CB 3.31Å; T320-R322 HydrophobicContact CG2-CG 4.5Å; R322-D324 IonicContact CZ-OD1 3.93Å; R322-D324 VanDerWaalsContact CZ-OD1 3.29Å; R322-D324 IonicContact CZ-OD2 3.83Å; R322-D324 IonicContact NE-OD1 3.99Å; R322-D324 PolarHBondContact NE-OD1 3.2Å; R322-D324 IonicContact NE-OD2 3.66Å; R322-D324 IonicContact NH2-OD1 2.79Å; R322-D324 PolarHBondContact NH2-OD1 2.98Å; R322-D324 IonicContact NH2-OD2 3.5Å; R322-D324 PolarHBondContact NH2-OD2 3.01Å; R322-Q348 HydrophobicContact CG-CB 4.44Å
323	L	98.3	Very high	95.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.			trans	-126	7.2	177.9	-71.2	165.1	0	0	0	111.7	I281 L293 I298 F301 L321 N326 I328 Q348	I281-L323 HydrophobicContact CD1-CD1 4.32Å; I281-L323 HydrophobicContact CD1-CD2 4.21Å; I281-L323 HydrophobicContact CG1-CD2 4.25Å; L293-L323 HydrophobicContact CB-CD2 3.85Å; L293-L323 HydrophobicContact CD1-CD2 3.92Å; I298-L323 HydrophobicContact CD1-CD2 3.88Å; F301-L323 HydrophobicContact CD2-CD1 3.88Å; F301-L323 HydrophobicContact CE2-CD1 3.83Å; L321-L323 HydrophobicContact CD1-CD1 4.19Å; L321-L323 HydrophobicContact CD1-CD2 4.48Å; L321-L323 HydrophobicContact CD1-CG 4.02Å; L321-L323 HydrophobicContact CD2-CD1 3.76Å; L321-L323 HydrophobicContact CD2-CG 4.45Å; L321-L323 HydrophobicContact CG-CD1 3.87Å; L321-L323 HydrophobicContact CG-CG 4.02Å; L323-N326 WeakPolarHBondContact O-CB 3.46Å; L323-N326 PolarHBondContact O-N 3Å; L323-N326 PolarHBondContact O-ND2 3.12Å; L323-I328 HydrophobicContact CB-CD1 3.95Å; L323-I328 HydrophobicContact CD1-CD1 3.89Å; L323-I328 HydrophobicContact CD2-CD1 4.31Å; L323-I328 HydrophobicContact CG-CD1 4.28Å; L323-Q348 WeakPolarHBondContact CA-O 3.02Å; L323-Q348 PolarHBondContact N-O 2.95Å
324	D	98	Very high	96.2	Very high	38 Å²	38	55.9 Å²	55.9	20%	0.203	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	145.8	-178.1	53.8	-73.7	0	0	0	113.5	Q294 A295 R322 N326 Q348 I349	Q294-D324 CarbonylContact C-O 3.12Å; Q294-D324 WeakPolarHBondContact CA-O 3.21Å; Q294-D324 WeakPolarHBondContact CB-O 3.14Å; A295-D324 PolarHBondContact N-O 2.93Å; R322-D324 IonicContact CZ-OD1 3.93Å; R322-D324 VanDerWaalsContact CZ-OD1 3.29Å; R322-D324 IonicContact CZ-OD2 3.83Å; R322-D324 IonicContact NE-OD1 3.99Å; R322-D324 PolarHBondContact NE-OD1 3.2Å; R322-D324 IonicContact NE-OD2 3.66Å; R322-D324 IonicContact NH2-OD1 2.79Å; R322-D324 PolarHBondContact NH2-OD1 2.98Å; R322-D324 IonicContact NH2-OD2 3.5Å; R322-D324 PolarHBondContact NH2-OD2 3.01Å; D324-N326 VanDerWaalsContact C-N 3.34Å; D324-Q348 PolarHBondContact N-O 2.74Å; D324-I349 VanDerWaalsContact CA-OXT 3.25Å; D324-I349 WeakPolarHBondContact CA-OXT 3.41Å
325	G	97.6	Very high	96.2	Very high	55 Å²	55	57.4 Å²	57.4	57%	0.567	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	28.4	-176.2	0	0	0	0	0	114.1	A295	A295-G325 WeakPolarHBondContact CA-O 3.36Å
326	N	98.5	Very high	96.1	Very high	23 Å²	23	61 Å²	61	12%	0.123	32%	0.32	C	S	.	.	S	Bend	trans	-103.7	-176.7	166.8	-79.2	-79.5	0	0	0	111.3	L293 N296 Q297 I298 L323 D324 I328	L293-N326 PolarHBondContact O-ND2 3.08Å; N296-N326 WeakPolarHBondContact CA-OD1 3.29Å; N296-N326 WeakPolarHBondContact CB-OD1 3.12Å; N296-N326 PolarHBondContact N-OD1 3.36Å; N296-N326 PolarHBondContact O-OD1 3.16Å; Q297-N326 PolarHBondContact N-OD1 3.09Å; I298-N326 HydrophobicContact CB-CB 4.05Å; I298-N326 VanDerWaalsContact CB-OD1 3.28Å; I298-N326 WeakPolarHBondContact CB-OD1 3.12Å; I298-N326 WeakPolarHBondContact CG1-OD1 3.38Å; I298-N326 PolarHBondContact N-OD1 3.19Å; L323-N326 WeakPolarHBondContact O-CB 3.46Å; L323-N326 PolarHBondContact O-N 3Å; L323-N326 PolarHBondContact O-ND2 3.12Å; D324-N326 VanDerWaalsContact C-N 3.34Å; N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 HydrophobicContact CB-CG1 4.02Å; N326-I328 PolarHBondContact O-N 3.17Å
327	E	97.5	Very high	95.9	Very high	117 Å²	117	61.2 Å²	61.2	55%	0.547	32%	0.322	S	S	.	.	S	Bend	trans	-92.8	34.9	175.4	-60.9	175.1	-141.7	0	0	111.5	I298 K299	I298-E327 CarbonylContact O-C 3.32Å; I298-E327 VanDerWaalsContact O-C 3.23Å; I298-E327 VanDerWaalsContact O-CA 3.26Å; I298-E327 WeakPolarHBondContact O-CA 3.23Å; I298-E327 WeakPolarHBondContact O-CB 3.24Å; I298-E327 PolarHBondContact O-N 3.02Å; K299-E327 WeakPolarHBondContact CE-OE2 3.2Å; K299-E327 HydrophobicContact CG-CB 4Å
328	I	96.1	Very high	95.8	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.072	33%	0.326	C	S	.	.			trans	-126.4	155.5	175.5	58.6	170.1	0	0	0	111	I298 L323 N326 I349	I298-I328 HydrophobicContact CG2-CG2 4.31Å; I298-I328 WeakPolarHBondContact O-CG2 3.36Å; L323-I328 HydrophobicContact CB-CD1 3.95Å; L323-I328 HydrophobicContact CD1-CD1 3.89Å; L323-I328 HydrophobicContact CD2-CD1 4.31Å; L323-I328 HydrophobicContact CG-CD1 4.28Å; N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 HydrophobicContact CB-CG1 4.02Å; N326-I328 PolarHBondContact O-N 3.17Å; I328-I349 HydrophobicContact CG1-CG2 4.21Å
329	S	94.3	Very high	95.6	Very high	48 Å²	48	63.4 Å²	63.4	34%	0.336	35%	0.352	S	S	.	.			trans	-122.1	170.1	178	74.5	0	0	0	0	111.8	E331 D332	S329-E331 PolarHBondContact O-N 3.1Å; S329-D332 WeakPolarHBondContact CA-OD2 3.25Å; S329-D332 WeakPolarHBondContact CB-OD2 3.44Å; S329-D332 PolarHBondContact N-OD2 3.47Å; S329-D332 WeakPolarHBondContact O-CB 3.48Å; S329-D332 PolarHBondContact O-N 3.25Å; S329-D332 VanDerWaalsContact O-N 3.16Å; S329-D332 PolarHBondContact OG-OD2 3.43Å
330	Q	92.8	Very high	95.5	Very high	124 Å²	124	60.2 Å²	60.2	58%	0.579	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61.3	-28.7	178.3	-174.7	65.5	60.7	0	0	113.3	D332 I333 I349	Q330-D332 VanDerWaalsContact C-N 3.27Å; Q330-D332 PolarHBondContact O-N 3.01Å; Q330-I333 PolarHBondContact O-N 2.91Å; Q330-I349 HydrophobicContact CB-CD1 4.28Å; Q330-I349 VanDerWaalsContact OE1-CD1 3.25Å
331	E	93.6	Very high	95.4	Very high	184 Å²	184	59.4 Å²	59.4	86%	0.86	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-72.7	-22.7	-179.9	-60.3	-176.8	-174	0	0	112.3	S329 I333	S329-E331 PolarHBondContact O-N 3.1Å; E331-I333 VanDerWaalsContact C-N 3.25Å; E331-I333 PolarHBondContact O-N 3.06Å
332	D	94.5	Very high	95.2	Very high	81 Å²	81	64.2 Å²	64.2	43%	0.433	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-78.1	-10.2	-179.9	-57.8	-56.5	0	0	0	112.8	S329 Q330 P334	S329-D332 WeakPolarHBondContact CA-OD2 3.25Å; S329-D332 WeakPolarHBondContact CB-OD2 3.44Å; S329-D332 PolarHBondContact N-OD2 3.47Å; S329-D332 WeakPolarHBondContact O-CB 3.48Å; S329-D332 PolarHBondContact O-N 3.25Å; S329-D332 VanDerWaalsContact O-N 3.16Å; S329-D332 PolarHBondContact OG-OD2 3.43Å; Q330-D332 VanDerWaalsContact C-N 3.27Å; Q330-D332 PolarHBondContact O-N 3.01Å; D332-P334 VanDerWaalsContact O-CD 3.27Å; D332-P334 WeakPolarHBondContact O-CD 3.42Å
333	I	94	Very high	95	Very high	26 Å²	26	67.1 Å²	67.1	13%	0.133	36%	0.361	C	S	.	.	S	Bend	trans	-84.1	115.8	175.9	-59.2	-158.5	0	0	0	110	F301 Q330 E331 S335 I347 I349	F301-I333 HydrophobicContact CB-CG1 4.44Å; F301-I333 HydrophobicContact CD1-CG2 4.39Å; F301-I333 HydrophobicContact CD2-CD1 3.76Å; F301-I333 HydrophobicContact CD2-CG1 3.81Å; F301-I333 HydrophobicContact CE1-CG2 4.2Å; F301-I333 HydrophobicContact CE2-CD1 3.69Å; F301-I333 HydrophobicContact CE2-CG1 4.17Å; F301-I333 HydrophobicContact CG-CD1 4.42Å; F301-I333 HydrophobicContact CG-CG1 4Å; F301-I333 HydrophobicContact CZ-CD1 4.31Å; F301-I333 HydrophobicContact CZ-CG2 4.28Å; Q330-I333 PolarHBondContact O-N 2.91Å; E331-I333 VanDerWaalsContact C-N 3.25Å; E331-I333 PolarHBondContact O-N 3.06Å; I333-S335 PolarHBondContact O-N 3.48Å; I333-I347 HydrophobicContact CD1-CG2 4.09Å; I333-I349 HydrophobicContact CD1-CD1 3.18Å; I333-I349 HydrophobicContact CD1-CG1 4.12Å; I333-I349 HydrophobicContact CG1-CD1 3.75Å
334	P	93.6	Very high	94.8	Very high	47 Å²	47	68.5 Å²	68.5	31%	0.305	37%	0.372	S	S	.	.			trans	-61.9	138.7	177.4	-24.4	36.4	0	0	0	111.7	D332 E336 S337	D332-P334 VanDerWaalsContact O-CD 3.27Å; D332-P334 WeakPolarHBondContact O-CD 3.42Å; P334-E336 HydrophobicContact CB-CG 3.77Å; P334-E336 PolarHBondContact O-N 3.27Å; P334-S337 WeakPolarHBondContact O-CB 3.43Å; P334-S337 PolarHBondContact O-N 3.47Å; P334-S337 PolarHBondContact O-OG 3.33Å
335	S	91.9	Very high	94.6	Very high	111 Å²	111	71.5 Å²	71.5	78%	0.776	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.6	178.2	63.6	0	0	0	0	113.5	I333 S337 A338	I333-S335 PolarHBondContact O-N 3.48Å; S335-S337 PolarHBondContact O-N 2.84Å; S335-A338 PolarHBondContact O-N 2.89Å
336	E	92.3	Very high	94.3	Very high	120 Å²	120	70.7 Å²	70.7	56%	0.561	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.9	173.4	63.5	-146.8	-143	0	0	114.1	L303 P334 A338 L339	L303-E336 HydrophobicContact CD2-CG 4.29Å; P334-E336 HydrophobicContact CB-CG 3.77Å; P334-E336 PolarHBondContact O-N 3.27Å; E336-A338 PolarHBondContact O-N 3.04Å; E336-A338 VanDerWaalsContact O-N 3.14Å; E336-L339 HydrophobicContact CB-CD1 4.42Å; E336-L339 VanDerWaalsContact O-CB 3.28Å; E336-L339 WeakPolarHBondContact O-CB 3.26Å; E336-L339 PolarHBondContact O-N 2.87Å
337	S	93.8	Very high	94.1	Very high	5 Å²	5	72.4 Å²	72.4	4%	0.035	39%	0.39	C	S	.	.	H	α-helix	trans	-58.1	-28	174.2	-55.8	0	0	0	0	112.2	F301 P334 S335 L339 C340 L341	F301-S337 WeakPolarHBondContact CE1-OG 3.38Å; P334-S337 WeakPolarHBondContact O-CB 3.43Å; P334-S337 PolarHBondContact O-N 3.47Å; P334-S337 PolarHBondContact O-OG 3.33Å; S335-S337 PolarHBondContact O-N 2.84Å; S337-L339 PolarHBondContact O-N 3.44Å; S337-C340 PolarHBondContact O-N 3.29Å; S337-C340 VanDerWaalsContact O-N 3.1Å; S337-L341 PolarHBondContact O-N 3.37Å
338	A	93.2	Very high	93.9	Very high	69 Å²	69	70.5 Å²	70.5	57%	0.57	38%	0.382	S	S	*	.	H	α-helix	trans	-60.2	-23.5	173.6	0	0	0	0	0	113.5	S335 E336 R342	S335-A338 PolarHBondContact O-N 2.89Å; E336-A338 PolarHBondContact O-N 3.04Å; E336-A338 VanDerWaalsContact O-N 3.14Å; A338-R342 WeakPolarHBondContact O-CG 3.22Å
339	L	94.1	Very high	93.7	Very high	105 Å²	105	72.9 Å²	72.9	55%	0.55	39%	0.394	S	S	.	.	H	α-helix	trans	-74.5	-28.3	176.8	-60.7	175.9	0	0	0	112.6	V310 E336 S337 R342	V310-L339 HydrophobicContact CG1-CB 3.91Å; V310-L339 WeakPolarHBondContact CG1-O 3.48Å; E336-L339 HydrophobicContact CB-CD1 4.42Å; E336-L339 VanDerWaalsContact O-CB 3.28Å; E336-L339 WeakPolarHBondContact O-CB 3.26Å; E336-L339 PolarHBondContact O-N 2.87Å; S337-L339 PolarHBondContact O-N 3.44Å; L339-R342 WeakPolarHBondContact O-CG 3.39Å; L339-R342 PolarHBondContact O-NE 3.09Å; L339-R342 PolarHBondContact O-NH2 2.94Å; L339-R342 VanDerWaalsContact O-NH2 3.14Å
340	C	96.6	Very high	93.6	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-95.1	-47.7	177.1	163.3	0	0	0	0	111.6	L303 C307 V310 S316 S337 R342	L303-C340 HydrophobicContact CD1-CB 3.7Å; L303-C340 HydrophobicContact CD2-CB 4.44Å; L303-C340 HydrophobicContact CG-CB 4.21Å; C307-C340 HydrophobicContact CB-CB 3.81Å; C307-C340 WeakPolarHBondContact CB-SG 3.34Å; C307-C340 WeakPolarHBondContact SG-CB 3.4Å; C307-C340 CovalentContact SG-SG 2.03Å; C307-C340 PolarHBondContact SG-SG 3.48Å; V310-C340 HydrophobicContact CG2-CB 3.91Å; S316-C340 PolarHBondContact N-O 3.22Å; S337-C340 PolarHBondContact O-N 3.29Å; S337-C340 VanDerWaalsContact O-N 3.1Å; C340-R342 VanDerWaalsContact C-N 3.25Å; C340-R342 PolarHBondContact O-N 3.27Å; C340-R342 VanDerWaalsContact O-N 3.16Å
341	L	96.4	Very high	93.7	Very high	9 Å²	9	71.5 Å²	71.5	5%	0.047	39%	0.387	C	S	.	.			trans	-90.1	45.5	-175.8	-59.5	-177.6	0	0	0	112.1	F301 F306 L318 L321 S337 W343 A344 I347	F301-L341 HydrophobicContact CZ-CD1 3.96Å; F306-L341 HydrophobicContact CB-CD2 3.97Å; F306-L341 HydrophobicContact CD1-CD2 4.13Å; F306-L341 HydrophobicContact CD2-CD2 4.39Å; F306-L341 HydrophobicContact CG-CD2 3.92Å; L318-L341 HydrophobicContact CB-CD2 4.33Å; L318-L341 HydrophobicContact CD2-CD2 4.18Å; L321-L341 HydrophobicContact CD2-CD1 4.29Å; S337-L341 PolarHBondContact O-N 3.37Å; L341-W343 PolarHBondContact O-N 3.37Å; L341-W343 VanDerWaalsContact O-N 3.14Å; L341-A344 HydrophobicContact CB-CB 4.08Å; L341-A344 WeakPolarHBondContact O-CB 3.28Å; L341-A344 PolarHBondContact O-N 3.07Å; L341-A344 VanDerWaalsContact O-N 3.11Å; L341-I347 HydrophobicContact CD1-CD1 4.09Å
342	R	94.4	Very high	93.7	Very high	102 Å²	102	65.2 Å²	65.2	39%	0.385	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28	-171.5	-63.6	-179.4	-170.5	166.1	11.5	114.1	D311 V312 F315 A338 L339 C340	D311-R342 PolarHBondContact O-NH2 3.01Å; V312-R342 PolarHBondContact O-NH1 3.31Å; F315-R342 HydrophobicContact CD2-CB 4.41Å; A338-R342 WeakPolarHBondContact O-CG 3.22Å; L339-R342 WeakPolarHBondContact O-CG 3.39Å; L339-R342 PolarHBondContact O-NE 3.09Å; L339-R342 PolarHBondContact O-NH2 2.94Å; L339-R342 VanDerWaalsContact O-NH2 3.14Å; C340-R342 VanDerWaalsContact C-N 3.25Å; C340-R342 PolarHBondContact O-N 3.27Å; C340-R342 VanDerWaalsContact O-N 3.16Å
343	W	93.8	Very high	93.6	Very high	132 Å²	132	64.3 Å²	64.3	50%	0.5	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	0.4	-176.3	-70.1	4.6	0	0	0	113	F315 R317 L318 L341 S345	F315-W343 HydrophobicContact CE2-CD2 4.36Å; F315-W343 AromaticContact CE2-CE2 3.82Å; F315-W343 HydrophobicContact CE2-CZ2 4.1Å; F315-W343 AromaticContact CE2-NE1 3.78Å; F315-W343 HydrophobicContact CZ-CZ2 4.42Å; R317-W343 HydrophobicContact CB-CE3 3.84Å; R317-W343 HydrophobicContact CB-CZ3 4.02Å; R317-W343 HydrophobicContact CG-CE3 3.93Å; R317-W343 HydrophobicContact CG-CH2 4.43Å; R317-W343 HydrophobicContact CG-CZ3 3.72Å; L318-W343 CarbonylContact O-C 3.47Å; L341-W343 PolarHBondContact O-N 3.37Å; L341-W343 VanDerWaalsContact O-N 3.14Å; W343-S345 PolarHBondContact O-N 3.26Å
344	A	94.3	Very high	93.6	Very high	28 Å²	28	66.7 Å²	66.7	23%	0.231	37%	0.37	C	S	.	.			trans	-67.1	110.7	179.7	0	0	0	0	0	109.2	L318 L341 I347	L318-A344 VanDerWaalsContact O-CA 3.24Å; L318-A344 WeakPolarHBondContact O-CA 3.22Å; L318-A344 PolarHBondContact O-N 2.94Å; L341-A344 HydrophobicContact CB-CB 4.08Å; L341-A344 WeakPolarHBondContact O-CB 3.28Å; L341-A344 PolarHBondContact O-N 3.07Å; L341-A344 VanDerWaalsContact O-N 3.11Å; A344-I347 HydrophobicContact CB-CD1 3.95Å; A344-I347 HydrophobicContact CB-CG1 3.91Å
345	S	92.7	Very high	93.6	Very high	102 Å²	102	68 Å²	68	71%	0.713	38%	0.375	S	S	*	.	S	Bend	trans	-89.3	-23.8	176.4	63.6	0	0	0	0	111.9	Q319 W343	Q319-S345 PolarHBondContact O-N 3.37Å; Q319-S345 PolarHBondContact O-OG 3.22Å; Q319-S345 VanDerWaalsContact O-OG 3.07Å; W343-S345 PolarHBondContact O-N 3.26Å
346	S	92.4	Very high	93.7	Very high	37 Å²	37	64.9 Å²	64.9	26%	0.259	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	115.4	179.9	173.9	0	0	0	0	109.8	Q319 T320 L321	Q319-S346 PolarHBondContact O-N 3.46Å; T320-S346 WeakPolarHBondContact CA-O 3.48Å; L321-S346 PolarHBondContact N-O 3.26Å
347	I	93.4	Very high	93.8	Very high	59 Å²	59	60.7 Å²	60.7	30%	0.303	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115	165.8	-55.9	179.9	0	0	0	106.4	L321 I333 L341 A344 I349	L321-I347 HydrophobicContact CB-CG1 4.3Å; L321-I347 HydrophobicContact CB-CG2 4.44Å; L321-I347 HydrophobicContact CD2-CG2 4.25Å; L321-I347 HydrophobicContact CG-CG2 4.44Å; L321-I347 WeakPolarHBondContact O-CA 3.28Å; I333-I347 HydrophobicContact CD1-CG2 4.09Å; L341-I347 HydrophobicContact CD1-CD1 4.09Å; A344-I347 HydrophobicContact CB-CD1 3.95Å; A344-I347 HydrophobicContact CB-CG1 3.91Å; I347-I349 HydrophobicContact CG2-CD1 4.36Å; I347-I349 HydrophobicContact CG2-CG1 4.14Å
348	Q	94.7	Very high	93.9	Very high	78 Å²	78	65.3 Å²	65.3	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.4	177.7	-61.2	-177	12.3	0	0	109.2	L321 R322 L323 D324	L321-Q348 PolarHBondContact O-N 2.82Å; R322-Q348 HydrophobicContact CG-CB 4.44Å; L323-Q348 WeakPolarHBondContact CA-O 3.02Å; L323-Q348 PolarHBondContact N-O 2.95Å; D324-Q348 PolarHBondContact N-O 2.74Å
349	I	90.2	Very high	93.9	Very high	63 Å²	63	65 Å²	65	32%	0.323	33%	0.334	S	S	.	.			trans	-135.8	0	-177.5	-52.8	169.8	0	0	0	108.6	D324 I328 Q330 I333 I347	D324-I349 VanDerWaalsContact CA-OXT 3.25Å; D324-I349 WeakPolarHBondContact CA-OXT 3.41Å; I328-I349 HydrophobicContact CG1-CG2 4.21Å; Q330-I349 HydrophobicContact CB-CD1 4.28Å; Q330-I349 VanDerWaalsContact OE1-CD1 3.25Å; I333-I349 HydrophobicContact CD1-CD1 3.18Å; I333-I349 HydrophobicContact CD1-CG1 4.12Å; I333-I349 HydrophobicContact CG1-CD1 3.75Å; I347-I349 HydrophobicContact CG2-CD1 4.36Å; I347-I349 HydrophobicContact CG2-CG1 4.14Å

Retrieved 349 of 349 residues in 1180.1 ms (Link to these results)

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