A0A096NKX7_PAPAN Loading...

Insulin-like growth factor-binding protein complex acid labile subunit

Involved in protein-protein interactions that result in protein complexes, receptor-ligand binding or cell adhesion.

AlphaFold DB , UniProt , Accession A0A096NKX7, Species PAPAN (Papio anubis, Olive baboon), Gene IGFALS, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.1	Very low	26.7	Very low	242 Å²	242	142.9 Å²	142.9	100%	1.192	85%	0.847	S	S	*	*				0	89.5	0	-76.8	171	162.6	0	0	106.4
2	A	24.2	Very low	26.6	Very low	91 Å²	91	144.3 Å²	144.3	75%	0.752	85%	0.845	S	S	*	*				58.4	120.7	82.2	0	0	0	0	0	110.8
3	L	25.8	Very low	26.5	Very low	147 Å²	147	146.7 Å²	146.7	77%	0.77	85%	0.851	S	S	*	*			cis	-160.6	138.9	43.1	-100.4	104.6	0	0	0	109.7
4	R	30.8	Very low	26.4	Very low	211 Å²	211	147.2 Å²	147.2	80%	0.796	85%	0.848	S	S	*	*				65.3	136.1	94.5	-91.8	179.8	176.2	-172.4	0.2	114.4
5	K	32.2	Very low	26.3	Very low	187 Å²	187	147.7 Å²	147.7	81%	0.813	85%	0.845	S	S	*	*			cis	-164.1	144	27.8	-98.3	161.7	175.5	-172.7	0	108.3
6	G	25.1	Very low	26.2	Very low	84 Å²	84	144.5 Å²	144.5	87%	0.866	84%	0.835	S	S	*	*				121.9	146.6	93.3	0	0	0	0	0	108.7
7	G	24.6	Very low	26.1	Very low	77 Å²	77	149.8 Å²	149.8	79%	0.794	84%	0.838	S	S	*	*			cis	171.5	135.7	0.5	0	0	0	0	0	107.6
8	L	27.1	Very low	26.4	Very low	182 Å²	182	149.4 Å²	149.4	95%	0.953	84%	0.839	S	S	*	*			trans	-20.2	135.6	167.7	-74.5	129.2	0	0	0	119
9	A	24.3	Very low	26.3	Very low	87 Å²	87	145.5 Å²	145.5	72%	0.719	83%	0.828	S	S	*	*				177.1	126.7	120.4	0	0	0	0	0	111.4
10	L	25.6	Very low	26.4	Very low	173 Å²	173	147 Å²	147	91%	0.906	83%	0.833	S	S	*	*				159.8	98.3	122.3	-100.2	114.3	0	0	0	111.4
11	A	23.1	Very low	26.4	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	83%	0.827	S	S	*	*			trans	-129.2	147.9	149.4	0	0	0	0	0	106.9
12	L	25.7	Very low	26.7	Very low	159 Å²	159	137.9 Å²	137.9	83%	0.832	81%	0.81	S	S	*	*			trans	88.9	105.3	179.5	-62.3	156.3	0	0	0	116.6
13	L	25.1	Very low	26.8	Very low	176 Å²	176	145.5 Å²	145.5	92%	0.921	82%	0.819	S	S	*	*			trans	-146.6	100.1	131.2	-98.3	166.8	0	0	0	109
14	L	24.7	Very low	26.8	Very low	154 Å²	154	143.6 Å²	143.6	81%	0.806	82%	0.818	S	S	*	*			trans	-120.1	117.9	155.2	-96.2	168.7	0	0	0	105.9
15	L	24.8	Very low	26.7	Very low	154 Å²	154	140.9 Å²	140.9	81%	0.806	82%	0.819	S	S	*	*			trans	155.4	125.7	130.2	-86.1	159.9	0	0	0	112.8
16	S	25	Very low	26.4	Very low	97 Å²	97	141 Å²	141	68%	0.678	82%	0.823	S	S	*	*			trans	64.5	138.4	153.6	58.9	0	0	0	0	116.3
17	W	25.3	Very low	26.5	Very low	234 Å²	234	141.1 Å²	141.1	89%	0.886	82%	0.823	S	S	*	*				-157.1	140.8	72.6	-91.5	49.6	0	0	0	111.6
18	V	30.3	Very low	26.9	Very low	143 Å²	143	142.3 Å²	142.3	87%	0.867	83%	0.825	S	S	*	*			trans	-88.5	127.1	155.2	168.2	0	0	0	0	106.8
19	A	24.5	Very low	27	Very low	76 Å²	76	142.8 Å²	142.8	63%	0.628	82%	0.823	S	S	*	*			trans	171.2	143.1	138.6	0	0	0	0	0	112.5
20	L	28.7	Very low	27.6	Very low	175 Å²	175	144.6 Å²	144.6	92%	0.916	83%	0.827	S	S	*	*			trans	88.5	88.3	160.7	-61.1	159.4	0	0	0	119.1
21	G	25.7	Very low	27.7	Very low	70 Å²	70	139.9 Å²	139.9	72%	0.722	82%	0.82	S	S	*	*				92.6	138.4	108.1	0	0	0	0	0	118.5
22	P	37.2	Very low	27.9	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	83%	0.826	S	S	*	*			trans	-89.4	138.1	-173.3	36.3	-31.6	0	0	0	111.6
23	R	26.4	Very low	28.5	Very low	250 Å²	250	141.4 Å²	141.4	94%	0.943	83%	0.83	S	S	*	*			trans	-139.2	114.1	157.6	-86.8	-167.7	168.3	159.2	-2.9	111.1
24	S	26.3	Very low	29	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	82%	0.823	S	S	*	*			trans	-63.6	146.7	162.9	48.4	0	0	0	0	112.3
25	L	28.3	Very low	29.4	Very low	154 Å²	154	138.2 Å²	138.2	81%	0.806	83%	0.826	S	S	*	*			trans	179.3	95.8	141.8	-93.9	151	0	0	0	105.7
26	E	27.3	Very low	29.9	Very low	191 Å²	191	135.5 Å²	135.5	89%	0.893	83%	0.826	S	S	*	*				60	121.4	95.4	-87.6	-176.4	157.6	0	0	114.4
27	G	27.6	Very low	30.6	Very low	85 Å²	85	140.2 Å²	140.2	88%	0.876	84%	0.837	S	S	*	*			trans	147.1	66.6	170.8	0	0	0	0	0	113.2
28	A	31	Very low	31.9	Very low	102 Å²	102	131.6 Å²	131.6	84%	0.843	82%	0.821	S	S	*	*			trans	-91.6	130.6	164.4	0	0	0	0	0	109.2
29	E	31.2	Very low	33.1	Very low	193 Å²	193	129 Å²	129	90%	0.902	81%	0.807	S	S	*	*			trans	-137.9	153.3	150.9	-89.5	-150.6	164.3	0	0	110.5
30	P	35.4	Very low	35.6	Very low	124 Å²	124	129.5 Å²	129.5	81%	0.805	81%	0.811	S	S	*	*			trans	-109.4	149.1	-151.5	35.8	-23.7	0	0	0	114.3
31	G	27.7	Very low	38.5	Very low	74 Å²	74	123.5 Å²	123.5	76%	0.763	78%	0.783	S	S	*	*			trans	106.3	102	139.8	0	0	0	0	0	118.1
32	T	27.1	Very low	41.6	Very low	142 Å²	142	120.5 Å²	120.5	87%	0.871	75%	0.751	S	S	*	*			trans	-141.5	117.2	132.1	41.6	0	0	0	0	108.6
33	P	39.5	Very low	43.9	Very low	140 Å²	140	119.6 Å²	119.6	91%	0.909	75%	0.754	S	S	*	*			trans	-86.1	113.5	172.9	32.2	-26.2	0	0	0	108.6
34	G	34.8	Very low	46.9	Very low	75 Å²	75	110.8 Å²	110.8	77%	0.773	73%	0.728	S	S	*	*			trans	168.6	33.9	177.7	0	0	0	0	0	114.8
35	E	33	Very low	50.1	Low	188 Å²	188	106.3 Å²	106.3	88%	0.879	70%	0.697	S	S	*	*			trans	-87.1	113.7	160.1	-75.5	-177.4	167.5	0	0	106.8	E37	E35-E37 PolarHBondContact O-N 3.45Å; E35-E37 VanDerWaalsContact O-N 3.14Å
36	A	34.9	Very low	53.2	Low	97 Å²	97	101.1 Å²	101.1	80%	0.802	68%	0.676	S	S	*	*			trans	-52.8	120	166.3	0	0	0	0	0	107.4	G38	A36-G38 PolarHBondContact O-N 2.97Å
37	E	41.2	Very low	56.4	Low	197 Å²	197	94.3 Å²	94.3	92%	0.921	65%	0.649	S	S	*	*			trans	-51	103.9	172.6	-77.3	-178.6	149.3	0	0	107.9	E35	E35-E37 PolarHBondContact O-N 3.45Å; E35-E37 VanDerWaalsContact O-N 3.14Å
38	G	51.1	Low	59.5	Low	53 Å²	53	93.2 Å²	93.2	55%	0.546	63%	0.628	S	S	.	*			trans	-55	153.5	169.2	0	0	0	0	0	109.1	A36 A40	A36-G38 PolarHBondContact O-N 2.97Å; G38-A40 PolarHBondContact O-N 3.22Å
39	P	57.2	Low	62.4	Low	88 Å²	88	93.8 Å²	93.8	57%	0.571	61%	0.609	S	S	*	*			trans	-50.3	119.9	-177.4	19.5	-31	0	0	0	110.2	C41 L56 P73	P39-C41 PolarHBondContact O-N 3.1Å; P39-L56 HydrophobicContact CG-CD2 4.29Å; P39-P73 HydrophobicContact CB-CB 3.81Å; P39-P73 HydrophobicContact CB-CG 3.91Å; P39-P73 HydrophobicContact CG-CB 4.45Å
40	A	76.7	Confident	65.1	Low	86 Å²	86	88.2 Å²	88.2	71%	0.711	59%	0.586	S	S	*	*			trans	-57	111.3	-175	0	0	0	0	0	109.8	G38	G38-A40 PolarHBondContact O-N 3.22Å
41	C	88.3	Confident	67.4	Low	49 Å²	49	88.6 Å²	88.6	33%	0.331	58%	0.581	S	S	.	*			trans	-71	140.9	178.1	-166.9	0	0	0	0	110.1	P39 A43 A46 C47	P39-C41 PolarHBondContact O-N 3.1Å; C41-A43 PolarHBondContact O-N 3.15Å; C41-A46 VanDerWaalsContact SG-C 3.59Å; C41-C47 VanDerWaalsContact CA-SG 3.57Å; C41-C47 HydrophobicContact CB-CB 3.77Å; C41-C47 WeakPolarHBondContact CB-SG 3.46Å; C41-C47 WeakPolarHBondContact SG-CB 3.47Å; C41-C47 PolarHBondContact SG-N 3.44Å; C41-C47 CovalentContact SG-SG 2.04Å; C41-C47 PolarHBondContact SG-SG 2.69Å
42	P	90.8	Very high	70	Confident	8 Å²	8	93.7 Å²	93.7	5%	0.052	59%	0.585	C	S	.	*			trans	-56.3	132.9	173.9	-23.2	30.9	0	0	0	111.2	T44 C45 P69 I72	P42-T44 PolarHBondContact O-N 3.01Å; P42-C45 HydrophobicContact CB-CB 4.15Å; P42-C45 HydrophobicContact CG-CB 4.48Å; P42-C45 PolarHBondContact O-N 2.91Å; P42-P69 HydrophobicContact CB-CB 4.16Å; P42-I72 HydrophobicContact CG-CG1 4.07Å
43	A	86.3	Confident	72.6	Confident	108 Å²	108	91.2 Å²	91.2	89%	0.893	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-25.2	-177.1	0	0	0	0	0	113.8	C41 C45	C41-A43 PolarHBondContact O-N 3.15Å; A43-C45 VanDerWaalsContact C-N 3.35Å
44	T	89.5	Confident	74.9	Confident	65 Å²	65	89.2 Å²	89.2	40%	0.399	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-0.5	179	55.2	0	0	0	0	113.7	P42 R63	P42-T44 PolarHBondContact O-N 3.01Å; T44-R63 VanDerWaalsContact C-NH1 3.31Å; T44-R63 PolarHBondContact O-NH1 3.13Å
45	C	93.9	Very high	77.5	Confident	13 Å²	13	88.6 Å²	88.6	9%	0.088	53%	0.528	C	S	.	.	S	Bend	trans	-129.4	171.1	-175.4	-57	0	0	0	0	111.2	P42 A43 V58 F59 C60	P42-C45 HydrophobicContact CB-CB 4.15Å; P42-C45 HydrophobicContact CG-CB 4.48Å; P42-C45 PolarHBondContact O-N 2.91Å; A43-C45 VanDerWaalsContact C-N 3.35Å; C45-V58 HydrophobicContact CB-CG1 4.08Å; C45-F59 CarbonylContact C-O 3.55Å; C45-F59 WeakPolarHBondContact CA-O 3.39Å; C45-F59 WeakPolarHBondContact CB-O 3.2Å; C45-C60 HydrophobicContact CB-CB 4.12Å; C45-C60 WeakPolarHBondContact CB-SG 3.44Å; C45-C60 WeakPolarHBondContact SG-CB 3.2Å; C45-C60 CovalentContact SG-SG 2.03Å; C45-C60 PolarHBondContact SG-SG 3.36Å
46	A	93.3	Very high	80.4	Confident	45 Å²	45	80.5 Å²	80.5	37%	0.372	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.7	170.6	0	0	0	0	0	109.3	C41 F59	C41-A46 VanDerWaalsContact SG-C 3.59Å; A46-F59 PolarHBondContact N-O 3.46Å; A46-F59 PolarHBondContact O-N 2.95Å
47	C	93.8	Very high	83.3	Confident	48 Å²	48	76.7 Å²	76.7	32%	0.324	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.2	178.2	-60.9	0	0	0	0	109	C41 L56 S57	C41-C47 VanDerWaalsContact CA-SG 3.57Å; C41-C47 HydrophobicContact CB-CB 3.77Å; C41-C47 WeakPolarHBondContact CB-SG 3.46Å; C41-C47 WeakPolarHBondContact SG-CB 3.47Å; C41-C47 PolarHBondContact SG-N 3.44Å; C41-C47 CovalentContact SG-SG 2.04Å; C41-C47 PolarHBondContact SG-SG 2.69Å; C47-L56 HydrophobicContact CB-CD1 4.49Å; C47-S57 CarbonylContact C-O 3.41Å; C47-S57 WeakPolarHBondContact CA-O 3.09Å
48	S	92.8	Very high	85.9	Confident	63 Å²	63	67.3 Å²	67.3	44%	0.441	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.9	176.4	-169.7	0	0	0	0	108.4	S57	S48-S57 PolarHBondContact N-O 3.01Å; S48-S57 PolarHBondContact O-N 2.03Å
49	Y	92.2	Very high	88.1	Confident	113 Å²	113	68.5 Å²	68.5	44%	0.443	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.7	173.5	-170	-101.8	0	0	0	108.8	D51 N54 E55 L56	Y49-D51 WeakPolarHBondContact CD1-OD1 3.5Å; Y49-D51 WeakPolarHBondContact CE1-OD1 2.99Å; Y49-N54 VanDerWaalsContact OH-CG 3.31Å; Y49-N54 PolarHBondContact OH-OD1 3.4Å; Y49-E55 WeakPolarHBondContact CA-O 3.29Å; Y49-L56 HydrophobicContact CD2-CB 4.03Å; Y49-L56 HydrophobicContact CD2-CD1 4.17Å; Y49-L56 HydrophobicContact CE2-CB 4.47Å
50	D	86.8	Confident	90	Very high	77 Å²	77	64.3 Å²	64.3	41%	0.412	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.4	173.5	-170.5	-35.9	0	0	0	108.8	E52 V53 N54 E55	D50-E52 VanDerWaalsContact C-N 3.32Å; D50-E52 PolarHBondContact O-N 3.34Å; D50-E52 WeakPolarHBondContact OD1-CB 3.36Å; D50-E52 PolarHBondContact OD1-N 2.68Å; D50-V53 HydrophobicContact CB-CG2 3.67Å; D50-V53 VanDerWaalsContact CG-CG2 3.44Å; D50-V53 PolarHBondContact OD1-N 3.49Å; D50-N54 CarbonylContact O-C 3.56Å; D50-N54 WeakPolarHBondContact O-CA 3.43Å; D50-N54 PolarHBondContact O-N 3.35Å; D50-E55 PolarHBondContact N-O 2.83Å; D50-E55 PolarHBondContact O-N 2.95Å
51	D	83.9	Confident	90.8	Very high	131 Å²	131	61.8 Å²	61.8	70%	0.701	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.7	-177.3	-68.7	-44.5	0	0	0	112.9	Y49	Y49-D51 WeakPolarHBondContact CD1-OD1 3.5Å; Y49-D51 WeakPolarHBondContact CE1-OD1 2.99Å
52	E	83.4	Confident	91.2	Very high	182 Å²	182	63.4 Å²	63.4	85%	0.85	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-38.7	-174.6	-64.7	-67.7	154.8	0	0	111.4	D50	D50-E52 VanDerWaalsContact C-N 3.32Å; D50-E52 PolarHBondContact O-N 3.34Å; D50-E52 WeakPolarHBondContact OD1-CB 3.36Å; D50-E52 PolarHBondContact OD1-N 2.68Å
53	V	82.3	Confident	91.3	Very high	89 Å²	89	68.9 Å²	68.9	54%	0.539	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.2	177.4	-66.2	0	0	0	0	113.2	D50 E55	D50-V53 HydrophobicContact CB-CG2 3.67Å; D50-V53 VanDerWaalsContact CG-CG2 3.44Å; D50-V53 PolarHBondContact OD1-N 3.49Å; V53-E55 VanDerWaalsContact C-N 3.25Å; V53-E55 HydrophobicContact CB-CB 4.46Å; V53-E55 HydrophobicContact CG2-CB 3.6Å; V53-E55 PolarHBondContact O-N 2.8Å
54	N	85.9	Confident	91.7	Very high	98 Å²	98	70.3 Å²	70.3	52%	0.524	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	44.8	-178.2	-167.5	83.8	0	0	0	111.3	Y49 D50 Q77	Y49-N54 VanDerWaalsContact OH-CG 3.31Å; Y49-N54 PolarHBondContact OH-OD1 3.4Å; D50-N54 CarbonylContact O-C 3.56Å; D50-N54 WeakPolarHBondContact O-CA 3.43Å; D50-N54 PolarHBondContact O-N 3.35Å; N54-Q77 PolarHBondContact O-NE2 3.12Å; N54-Q77 PolarHBondContact O-OE1 2.89Å
55	E	89.9	Confident	91.9	Very high	63 Å²	63	68.2 Å²	68.2	29%	0.294	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.9	-172.4	-174.5	179.9	162	0	0	112.2	Y49 D50 V53 S57 Q77 A78	Y49-E55 WeakPolarHBondContact CA-O 3.29Å; D50-E55 PolarHBondContact N-O 2.83Å; D50-E55 PolarHBondContact O-N 2.95Å; V53-E55 VanDerWaalsContact C-N 3.25Å; V53-E55 HydrophobicContact CB-CB 4.46Å; V53-E55 HydrophobicContact CG2-CB 3.6Å; V53-E55 PolarHBondContact O-N 2.8Å; E55-S57 PolarHBondContact OE1-OG 3.35Å; E55-Q77 VanDerWaalsContact CA-OE1 3.23Å; E55-Q77 HydrophobicContact CG-CB 3.88Å; E55-A78 WeakPolarHBondContact OE1-CB 2.98Å
56	L	93.8	Very high	91.9	Very high	17 Å²	17	72.2 Å²	72.2	9%	0.089	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.4	171.6	-178.5	62.6	0	0	0	110.6	P39 C47 Y49 P73 Q77 A78	P39-L56 HydrophobicContact CG-CD2 4.29Å; C47-L56 HydrophobicContact CB-CD1 4.49Å; Y49-L56 HydrophobicContact CD2-CB 4.03Å; Y49-L56 HydrophobicContact CD2-CD1 4.17Å; Y49-L56 HydrophobicContact CE2-CB 4.47Å; L56-P73 HydrophobicContact CD2-CB 3.78Å; L56-P73 HydrophobicContact CD2-CG 4.26Å; L56-Q77 PolarHBondContact O-N 3.32Å; L56-A78 PolarHBondContact O-N 2.76Å
57	S	96.2	Very high	91.9	Very high	17 Å²	17	77.3 Å²	77.3	12%	0.119	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.6	176.1	-83.2	0	0	0	0	112	C47 S48 E55 A78	C47-S57 CarbonylContact C-O 3.41Å; C47-S57 WeakPolarHBondContact CA-O 3.09Å; S48-S57 PolarHBondContact N-O 3.01Å; S48-S57 PolarHBondContact O-N 2.03Å; E55-S57 PolarHBondContact OE1-OG 3.35Å; S57-A78 CarbonylContact C-O 3.55Å; S57-A78 WeakPolarHBondContact CA-O 3.1Å
58	V	96.5	Very high	91.8	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.3	176.5	-178.5	0	0	0	0	110.2	C45 I72 T76 A78 L79 W80	C45-V58 HydrophobicContact CB-CG1 4.08Å; V58-I72 HydrophobicContact CG2-CG2 4.44Å; V58-T76 HydrophobicContact CB-CG2 4.04Å; V58-T76 HydrophobicContact CG2-CG2 3.57Å; V58-T76 WeakPolarHBondContact CG2-OG1 3.4Å; V58-A78 PolarHBondContact N-O 3.17Å; V58-L79 HydrophobicContact CB-CD1 3.91Å; V58-L79 HydrophobicContact CG1-CD1 3.94Å; V58-W80 PolarHBondContact O-N 2.72Å
59	F	97.1	Very high	91.8	Very high	78 Å²	78	74 Å²	74	34%	0.342	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.4	-175.8	-57.8	-82.9	0	0	0	111.8	C45 A46 W80	C45-F59 CarbonylContact C-O 3.55Å; C45-F59 WeakPolarHBondContact CA-O 3.39Å; C45-F59 WeakPolarHBondContact CB-O 3.2Å; A46-F59 PolarHBondContact N-O 3.46Å; A46-F59 PolarHBondContact O-N 2.95Å; F59-W80 HydrophobicContact CD1-CB 4.07Å; F59-W80 AromaticContact CD1-CD1 3.48Å; F59-W80 VanDerWaalsContact CD1-CD1 3.48Å; F59-W80 HydrophobicContact CD1-CD2 4.3Å; F59-W80 AromaticContact CD1-CG 3.7Å; F59-W80 HydrophobicContact CD1-CG 3.7Å; F59-W80 AromaticContact CD1-NE1 3.98Å; F59-W80 AromaticContact CE1-CD1 3.44Å; F59-W80 VanDerWaalsContact CE1-CD1 3.44Å; F59-W80 HydrophobicContact CE1-CD2 4.21Å; F59-W80 AromaticContact CE1-CE2 3.94Å; F59-W80 AromaticContact CE1-CG 3.94Å; F59-W80 HydrophobicContact CE1-CG 3.94Å; F59-W80 AromaticContact CE1-NE1 3.44Å
60	C	95.9	Very high	91.6	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.381	C	S	.	.			trans	-122.8	17.7	179.2	-54.7	0	0	0	0	112.2	C45 L65 W80 L81 N84	C45-C60 HydrophobicContact CB-CB 4.12Å; C45-C60 WeakPolarHBondContact CB-SG 3.44Å; C45-C60 WeakPolarHBondContact SG-CB 3.2Å; C45-C60 CovalentContact SG-SG 2.03Å; C45-C60 PolarHBondContact SG-SG 3.36Å; C60-L65 HydrophobicContact CB-CD1 4.02Å; C60-W80 CarbonylContact C-O 3.26Å; C60-W80 VanDerWaalsContact CA-O 3.29Å; C60-W80 WeakPolarHBondContact CA-O 3.39Å; C60-W80 VanDerWaalsContact CB-O 3.28Å; C60-W80 WeakPolarHBondContact CB-O 3.39Å; C60-W80 PolarHBondContact N-O 3.27Å; C60-L81 HydrophobicContact CB-CD2 3.68Å; C60-L81 HydrophobicContact CB-CG 4.48Å; C60-N84 PolarHBondContact O-ND2 3.1Å
61	S	94.9	Very high	91.7	Very high	34 Å²	34	72.9 Å²	72.9	24%	0.238	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	144.2	-173.5	-46.1	0	0	0	0	113.3	R63 W80 D82	S61-R63 VanDerWaalsContact C-N 3.29Å; S61-R63 WeakPolarHBondContact O-CG 3.49Å; S61-R63 PolarHBondContact O-N 2.99Å; S61-W80 PolarHBondContact N-O 3.07Å; S61-D82 VanDerWaalsContact CA-O 3.29Å; S61-D82 WeakPolarHBondContact CA-O 3.48Å; S61-D82 VanDerWaalsContact CB-OD1 3.26Å; S61-D82 WeakPolarHBondContact CB-OD1 3.49Å; S61-D82 PolarHBondContact OG-OD1 3.49Å
62	S	95.2	Very high	92.1	Very high	82 Å²	82	68 Å²	68	57%	0.573	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	35.7	173.7	-57.5	0	0	0	0	115	D82 S83	S62-D82 PolarHBondContact N-O 3.06Å; S62-S83 WeakPolarHBondContact CA-O 3.43Å; S62-S83 WeakPolarHBondContact OG-CB 3.36Å
63	R	93.9	Very high	92.6	Very high	124 Å²	124	60 Å²	60	47%	0.468	33%	0.326	S	S	.	.	S	Bend	trans	-103.2	11.7	-178.1	-64.1	-67.3	179	102.4	-4.4	113.2	T44 S61 L65 N84	T44-R63 VanDerWaalsContact C-NH1 3.31Å; T44-R63 PolarHBondContact O-NH1 3.13Å; S61-R63 VanDerWaalsContact C-N 3.29Å; S61-R63 WeakPolarHBondContact O-CG 3.49Å; S61-R63 PolarHBondContact O-N 2.99Å; R63-L65 HydrophobicContact CB-CD1 4.3Å; R63-L65 HydrophobicContact CB-CD2 4.03Å; R63-L65 HydrophobicContact CB-CG 3.83Å; R63-L65 PolarHBondContact O-N 3.45Å; R63-N84 PolarHBondContact N-OD1 2.84Å; R63-N84 VanDerWaalsContact N-OD1 3.09Å
64	N	94	Very high	93	Very high	138 Å²	138	57.6 Å²	57.6	74%	0.738	32%	0.319	S	S	*	.			trans	53.9	32.3	-175.5	-67.4	-30.9	0	0	0	113.7	T66 N84	N64-T66 PolarHBondContact O-N 3.16Å; N64-N84 PolarHBondContact N-OD1 3.12Å
65	L	94.1	Very high	93.2	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.105	31%	0.313	C	S	.	.			trans	-68.6	131.1	-177.7	-57.2	176.3	0	0	0	110.7	C60 R63 L81 N84 N85 L86	C60-L65 HydrophobicContact CB-CD1 4.02Å; R63-L65 HydrophobicContact CB-CD1 4.3Å; R63-L65 HydrophobicContact CB-CD2 4.03Å; R63-L65 HydrophobicContact CB-CG 3.83Å; R63-L65 PolarHBondContact O-N 3.45Å; L65-L81 HydrophobicContact CD1-CD2 4.32Å; L65-N84 HydrophobicContact CB-CB 4.14Å; L65-N84 WeakPolarHBondContact CG-OD1 3.29Å; L65-N84 PolarHBondContact N-OD1 2.85Å; L65-N85 CarbonylContact O-C 3.36Å; L65-N85 VanDerWaalsContact O-C 3.26Å; L65-N85 VanDerWaalsContact O-CA 3.32Å; L65-N85 WeakPolarHBondContact O-CA 3.31Å; L65-N85 PolarHBondContact O-N 3.46Å; L65-L86 PolarHBondContact O-N 2.96Å
66	T	94.1	Very high	93.5	Very high	98 Å²	98	51.7 Å²	51.7	60%	0.601	30%	0.299	S	S	*	.	S	Bend	trans	-101.4	-13.3	174.1	54.3	0	0	0	0	112.9	N64 N85	N64-T66 PolarHBondContact O-N 3.16Å; T66-N85 HydrophobicContact CG2-CB 4.33Å
67	R	93.3	Very high	93.6	Very high	151 Å²	151	53.5 Å²	53.5	57%	0.57	31%	0.306	S	S	*	.	S	Bend	trans	-138.6	159.5	174.2	63.1	-175.3	-68.7	-106.8	-7.4	109.8	D70	R67-D70 IonicContact CZ-OD1 3.48Å; R67-D70 IonicContact CZ-OD2 3.93Å; R67-D70 VanDerWaalsContact CZ-OD2 3.28Å; R67-D70 IonicContact NH1-OD2 3.9Å; R67-D70 PolarHBondContact NH1-OD2 2.85Å; R67-D70 VanDerWaalsContact NH2-CG 3.34Å; R67-D70 IonicContact NH2-OD1 3.05Å; R67-D70 PolarHBondContact NH2-OD1 3.06Å; R67-D70 IonicContact NH2-OD2 3.81Å; R67-D70 PolarHBondContact NH2-OD2 2.02Å
68	L	92.6	Very high	93.7	Very high	26 Å²	26	52.8 Å²	52.8	14%	0.136	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-62.3	140.3	173.3	-67.3	171.9	0	0	0	110.4	L81 L86 I89 A93 F94	L68-L81 HydrophobicContact CD2-CD1 3.55Å; L68-L81 HydrophobicContact CD2-CD2 4.33Å; L68-L86 HydrophobicContact CD2-CD1 4.19Å; L68-I89 HydrophobicContact CD2-CD1 4.37Å; L68-A93 HydrophobicContact CD1-CB 3.49Å; L68-A93 VanDerWaalsContact CD1-CB 3.49Å; L68-F94 HydrophobicContact CD1-CE1 3.96Å; L68-F94 HydrophobicContact CD1-CZ 4.1Å; L68-F94 HydrophobicContact CD2-CE1 4.14Å; L68-F94 HydrophobicContact CD2-CZ 4.3Å
69	P	91.7	Very high	93.7	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.097	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-69.5	136.6	178.2	27.2	-30.5	0	0	0	110.5	P42 I72 L81	P42-P69 HydrophobicContact CB-CB 4.16Å; P69-I72 HydrophobicContact CG-CD1 3.99Å; P69-I72 HydrophobicContact CG-CG1 4.14Å; P69-L81 HydrophobicContact CG-CD2 4.3Å
70	D	88.1	Confident	93.7	Very high	111 Å²	111	52.8 Å²	52.8	59%	0.594	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	147.4	174.7	-59.2	-50.6	0	0	0	109.8	R67	R67-D70 IonicContact CZ-OD1 3.48Å; R67-D70 IonicContact CZ-OD2 3.93Å; R67-D70 VanDerWaalsContact CZ-OD2 3.28Å; R67-D70 IonicContact NH1-OD2 3.9Å; R67-D70 PolarHBondContact NH1-OD2 2.85Å; R67-D70 VanDerWaalsContact NH2-CG 3.34Å; R67-D70 IonicContact NH2-OD1 3.05Å; R67-D70 PolarHBondContact NH2-OD1 3.06Å; R67-D70 IonicContact NH2-OD2 3.81Å; R67-D70 PolarHBondContact NH2-OD2 2.02Å
71	G	88.5	Confident	93.8	Very high	56 Å²	56	52.9 Å²	52.9	58%	0.577	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	23.2	173.6	0	0	0	0	0	116.1
72	I	93.3	Very high	93.9	Very high	30 Å²	30	52.2 Å²	52.2	15%	0.154	29%	0.294	C	S	.	.			trans	-62.4	128.6	171.4	-54.5	175.6	0	0	0	109.1	P42 V58 P69 G74 L79 L97	P42-I72 HydrophobicContact CG-CG1 4.07Å; V58-I72 HydrophobicContact CG2-CG2 4.44Å; P69-I72 HydrophobicContact CG-CD1 3.99Å; P69-I72 HydrophobicContact CG-CG1 4.14Å; I72-G74 PolarHBondContact O-N 2.74Å; I72-L79 HydrophobicContact CD1-CD1 4.15Å; I72-L79 HydrophobicContact CD1-CD2 3.92Å; I72-L79 HydrophobicContact CG2-CD1 4.49Å; I72-L97 HydrophobicContact CB-CD2 4.21Å; I72-L97 HydrophobicContact CD1-CD1 4.48Å; I72-L97 HydrophobicContact CG2-CD1 4.19Å; I72-L97 HydrophobicContact CG2-CD2 3.82Å
73	P	93	Very high	93.9	Very high	12 Å²	12	50.7 Å²	50.7	8%	0.078	28%	0.283	C	S	.	.			trans	-57.5	135.3	179.1	-28.2	36.8	0	0	0	113.3	P39 L56 G75 T76 L97	P39-P73 HydrophobicContact CB-CB 3.81Å; P39-P73 HydrophobicContact CB-CG 3.91Å; P39-P73 HydrophobicContact CG-CB 4.45Å; L56-P73 HydrophobicContact CD2-CB 3.78Å; L56-P73 HydrophobicContact CD2-CG 4.26Å; P73-G75 PolarHBondContact O-N 2.93Å; P73-T76 WeakPolarHBondContact O-CB 3.39Å; P73-T76 PolarHBondContact O-N 2.96Å; P73-T76 VanDerWaalsContact O-N 3.11Å; P73-T76 PolarHBondContact O-OG1 3.16Å; P73-L97 WeakPolarHBondContact O-CD2 3.34Å
74	G	90.4	Very high	94	Very high	39 Å²	39	45.2 Å²	45.2	40%	0.402	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.3	179.5	0	0	0	0	0	114.5	I72 T76 N96	I72-G74 PolarHBondContact O-N 2.74Å; G74-T76 VanDerWaalsContact C-N 3.31Å; G74-T76 PolarHBondContact O-N 3.4Å; G74-N96 WeakPolarHBondContact CA-O 3.25Å
75	G	91.6	Very high	94.1	Very high	38 Å²	38	42 Å²	42	39%	0.392	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.8	177.4	0	0	0	0	0	115	P73 Q77	P73-G75 PolarHBondContact O-N 2.93Å; G75-Q77 PolarHBondContact O-N 3.46Å
76	T	95.2	Very high	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.243	C	C	.	.			trans	-62.2	130.2	178.4	-64.7	0	0	0	0	111.2	V58 P73 G74 A78 L79 S99 L100	V58-T76 HydrophobicContact CB-CG2 4.04Å; V58-T76 HydrophobicContact CG2-CG2 3.57Å; V58-T76 WeakPolarHBondContact CG2-OG1 3.4Å; P73-T76 WeakPolarHBondContact O-CB 3.39Å; P73-T76 PolarHBondContact O-N 2.96Å; P73-T76 VanDerWaalsContact O-N 3.11Å; P73-T76 PolarHBondContact O-OG1 3.16Å; G74-T76 VanDerWaalsContact C-N 3.31Å; G74-T76 PolarHBondContact O-N 3.4Å; T76-A78 VanDerWaalsContact CG2-O 3.31Å; T76-A78 WeakPolarHBondContact CG2-O 3.3Å; T76-L79 HydrophobicContact CG2-CB 4.28Å; T76-S99 CarbonylContact O-C 3.08Å; T76-L100 HydrophobicContact CG2-CD1 3.86Å; T76-L100 WeakPolarHBondContact O-CA 3.18Å; T76-L100 PolarHBondContact O-N 3.15Å
77	Q	96.1	Very high	94.3	Very high	54 Å²	54	40.1 Å²	40.1	25%	0.252	24%	0.237	S	C	.	.	S	Bend	trans	-104.8	-30.7	-179.9	-70.4	172.4	23.3	0	0	112.2	N54 E55 L56 G75 A101 F102	N54-Q77 PolarHBondContact O-NE2 3.12Å; N54-Q77 PolarHBondContact O-OE1 2.89Å; E55-Q77 VanDerWaalsContact CA-OE1 3.23Å; E55-Q77 HydrophobicContact CG-CB 3.88Å; L56-Q77 PolarHBondContact O-N 3.32Å; G75-Q77 PolarHBondContact O-N 3.46Å; Q77-A101 PolarHBondContact O-N 2.84Å; Q77-F102 PolarHBondContact O-N 2.96Å
78	A	97.4	Very high	94.4	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.8	173	0	0	0	0	0	111.6	E55 L56 S57 V58 T76 F102	E55-A78 WeakPolarHBondContact OE1-CB 2.98Å; L56-A78 PolarHBondContact O-N 2.76Å; S57-A78 CarbonylContact C-O 3.55Å; S57-A78 WeakPolarHBondContact CA-O 3.1Å; V58-A78 PolarHBondContact N-O 3.17Å; T76-A78 VanDerWaalsContact CG2-O 3.31Å; T76-A78 WeakPolarHBondContact CG2-O 3.3Å; A78-F102 WeakPolarHBondContact CA-O 3.36Å; A78-F102 HydrophobicContact CB-CB 3.95Å; A78-F102 HydrophobicContact CB-CD1 4.06Å; A78-F102 HydrophobicContact CB-CG 4.36Å
79	L	97.5	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.6	-178.9	179.3	58.5	0	0	0	110.7	V58 I72 T76 L81 F94 L97 L100 F102 L103 N104	V58-L79 HydrophobicContact CB-CD1 3.91Å; V58-L79 HydrophobicContact CG1-CD1 3.94Å; I72-L79 HydrophobicContact CD1-CD1 4.15Å; I72-L79 HydrophobicContact CD1-CD2 3.92Å; I72-L79 HydrophobicContact CG2-CD1 4.49Å; T76-L79 HydrophobicContact CG2-CB 4.28Å; L79-L81 HydrophobicContact CD1-CD1 4.31Å; L79-L81 HydrophobicContact CD1-CG 4.12Å; L79-L81 HydrophobicContact CD2-CD1 3.69Å; L79-L81 HydrophobicContact CD2-CG 4.39Å; L79-L81 HydrophobicContact CG-CD1 3.81Å; L79-L81 HydrophobicContact CG-CG 3.99Å; L79-F94 HydrophobicContact CD2-CE1 4.23Å; L79-L97 HydrophobicContact CD2-CD1 4.01Å; L79-L100 HydrophobicContact CB-CD1 3.61Å; L79-L100 HydrophobicContact CB-CD2 4.31Å; L79-F102 PolarHBondContact N-O 2.95Å; L79-L103 HydrophobicContact CB-CD1 4.16Å; L79-L103 HydrophobicContact CD2-CD1 3.98Å; L79-L103 HydrophobicContact CG-CD1 4.11Å; L79-N104 PolarHBondContact O-N 3.44Å
80	W	97.8	Very high	94.7	Very high	78 Å²	78	36.2 Å²	36.2	30%	0.295	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.3	-180	-57.9	77.4	0	0	0	110.3	V58 F59 C60 S61 F102 N104	V58-W80 PolarHBondContact O-N 2.72Å; F59-W80 HydrophobicContact CD1-CB 4.07Å; F59-W80 AromaticContact CD1-CD1 3.48Å; F59-W80 VanDerWaalsContact CD1-CD1 3.48Å; F59-W80 HydrophobicContact CD1-CD2 4.3Å; F59-W80 AromaticContact CD1-CG 3.7Å; F59-W80 HydrophobicContact CD1-CG 3.7Å; F59-W80 AromaticContact CD1-NE1 3.98Å; F59-W80 AromaticContact CE1-CD1 3.44Å; F59-W80 VanDerWaalsContact CE1-CD1 3.44Å; F59-W80 HydrophobicContact CE1-CD2 4.21Å; F59-W80 AromaticContact CE1-CE2 3.94Å; F59-W80 AromaticContact CE1-CG 3.94Å; F59-W80 HydrophobicContact CE1-CG 3.94Å; F59-W80 AromaticContact CE1-NE1 3.44Å; C60-W80 CarbonylContact C-O 3.26Å; C60-W80 VanDerWaalsContact CA-O 3.29Å; C60-W80 WeakPolarHBondContact CA-O 3.39Å; C60-W80 VanDerWaalsContact CB-O 3.28Å; C60-W80 WeakPolarHBondContact CB-O 3.39Å; C60-W80 PolarHBondContact N-O 3.27Å; S61-W80 PolarHBondContact N-O 3.07Å; W80-F102 AromaticContact CD2-CE1 3.81Å; W80-F102 HydrophobicContact CD2-CE1 3.81Å; W80-F102 AromaticContact CE2-CE1 3.52Å; W80-F102 HydrophobicContact CE3-CE1 4.08Å; W80-F102 HydrophobicContact CE3-CZ 4.47Å; W80-F102 HydrophobicContact CG-CE1 4.48Å; W80-F102 AromaticContact CH2-CE1 3.83Å; W80-F102 HydrophobicContact CH2-CE1 3.83Å; W80-F102 AromaticContact CH2-CZ 3.68Å; W80-F102 HydrophobicContact CH2-CZ 3.68Å; W80-F102 HydrophobicContact CZ2-CD1 4.34Å; W80-F102 AromaticContact CZ2-CE1 3.54Å; W80-F102 HydrophobicContact CZ2-CE1 3.54Å; W80-F102 AromaticContact CZ2-CZ 3.79Å; W80-F102 HydrophobicContact CZ2-CZ 3.79Å; W80-F102 HydrophobicContact CZ3-CE1 4.09Å; W80-F102 HydrophobicContact CZ3-CZ 4.04Å; W80-N104 HydrophobicContact CE3-CB 4.12Å; W80-N104 WeakPolarHBondContact CZ3-ND2 3.3Å
81	L	96.6	Very high	95.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	23%	0.229	C	C	.	.			trans	-121.3	14.8	-179.6	-74.8	164.4	0	0	0	111.9	C60 L65 L68 P69 L79 N84 F94 L103 N104 L105	C60-L81 HydrophobicContact CB-CD2 3.68Å; C60-L81 HydrophobicContact CB-CG 4.48Å; L65-L81 HydrophobicContact CD1-CD2 4.32Å; L68-L81 HydrophobicContact CD2-CD1 3.55Å; L68-L81 HydrophobicContact CD2-CD2 4.33Å; P69-L81 HydrophobicContact CG-CD2 4.3Å; L79-L81 HydrophobicContact CD1-CD1 4.31Å; L79-L81 HydrophobicContact CD1-CG 4.12Å; L79-L81 HydrophobicContact CD2-CD1 3.69Å; L79-L81 HydrophobicContact CD2-CG 4.39Å; L79-L81 HydrophobicContact CG-CD1 3.81Å; L79-L81 HydrophobicContact CG-CG 3.99Å; L81-N84 PolarHBondContact O-ND2 3.21Å; L81-F94 HydrophobicContact CD1-CE1 4.36Å; L81-L103 HydrophobicContact CD1-CD1 4.28Å; L81-N104 CarbonylContact C-O 3.29Å; L81-N104 WeakPolarHBondContact CA-O 3.17Å; L81-N104 WeakPolarHBondContact CB-O 3.35Å; L81-N104 PolarHBondContact N-O 2.81Å; L81-L105 HydrophobicContact CB-CD2 3.69Å; L81-L105 HydrophobicContact CD1-CD2 3.87Å; L81-L105 HydrophobicContact CG-CD2 4.46Å
82	D	97.1	Very high	95.3	Very high	20 Å²	20	33.5 Å²	33.5	11%	0.107	22%	0.216	C	C	.	.			trans	-66.1	159.6	-176.3	66.9	-81.1	0	0	0	113.5	S61 S62 N84 N104 Q106	S61-D82 VanDerWaalsContact CA-O 3.29Å; S61-D82 WeakPolarHBondContact CA-O 3.48Å; S61-D82 VanDerWaalsContact CB-OD1 3.26Å; S61-D82 WeakPolarHBondContact CB-OD1 3.49Å; S61-D82 PolarHBondContact OG-OD1 3.49Å; S62-D82 PolarHBondContact N-O 3.06Å; D82-N84 PolarHBondContact O-N 3.13Å; D82-N84 PolarHBondContact O-ND2 3.02Å; D82-N104 PolarHBondContact N-O 3.24Å; D82-Q106 CarbonylContact C-O 3.07Å; D82-Q106 WeakPolarHBondContact CA-O 3.37Å; D82-Q106 HydrophobicContact CB-CG 3.58Å; D82-Q106 WeakPolarHBondContact CB-O 3.37Å
83	S	96.2	Very high	95.3	Very high	49 Å²	49	33.7 Å²	33.7	34%	0.343	22%	0.222	S	C	.	.	S	Bend	trans	58.5	34.9	176.3	-47.6	0	0	0	0	112.9	S62 Q106 G107	S62-S83 WeakPolarHBondContact CA-O 3.43Å; S62-S83 WeakPolarHBondContact OG-CB 3.36Å; S83-Q106 PolarHBondContact N-O 3.37Å; S83-G107 WeakPolarHBondContact CA-O 3.5Å
84	N	96.3	Very high	95.4	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.048	22%	0.218	C	C	.	.			trans	-111.9	171	175.8	-77.8	-57.8	0	0	0	111.9	C60 R63 N64 L65 L81 D82 L86 G108	C60-N84 PolarHBondContact O-ND2 3.1Å; R63-N84 PolarHBondContact N-OD1 2.84Å; R63-N84 VanDerWaalsContact N-OD1 3.09Å; N64-N84 PolarHBondContact N-OD1 3.12Å; L65-N84 HydrophobicContact CB-CB 4.14Å; L65-N84 WeakPolarHBondContact CG-OD1 3.29Å; L65-N84 PolarHBondContact N-OD1 2.85Å; L81-N84 PolarHBondContact O-ND2 3.21Å; D82-N84 PolarHBondContact O-N 3.13Å; D82-N84 PolarHBondContact O-ND2 3.02Å; N84-L86 HydrophobicContact CB-CG 4.31Å; N84-L86 PolarHBondContact O-N 2.99Å; N84-G108 WeakPolarHBondContact O-CA 3.38Å
85	N	95.6	Very high	95.6	Very high	71 Å²	71	39.4 Å²	39.4	38%	0.38	23%	0.23	S	C	.	.			trans	-99.2	34.6	-173	-151.3	38.5	0	0	0	113.1	L65 T66 S87 Q109	L65-N85 CarbonylContact O-C 3.36Å; L65-N85 VanDerWaalsContact O-C 3.26Å; L65-N85 VanDerWaalsContact O-CA 3.32Å; L65-N85 WeakPolarHBondContact O-CA 3.31Å; L65-N85 PolarHBondContact O-N 3.46Å; T66-N85 HydrophobicContact CG2-CB 4.33Å; N85-S87 PolarHBondContact O-N 2.9Å; N85-Q109 VanDerWaalsContact CG-CD 3.49Å; N85-Q109 PolarHBondContact ND2-NE2 2.94Å; N85-Q109 PolarHBondContact O-NE2 3.33Å; N85-Q109 WeakPolarHBondContact OD1-CG 3.35Å; N85-Q109 PolarHBondContact OD1-NE2 2.83Å; N85-Q109 PolarHBondContact OD1-OE1 2.9Å
86	L	95.7	Very high	95.6	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.052	25%	0.245	C	C	.	.			trans	-73.3	122.2	-179.4	-58.7	171.8	0	0	0	110	L65 L68 N84 I89 L105 Q109 L110	L65-L86 PolarHBondContact O-N 2.96Å; L68-L86 HydrophobicContact CD2-CD1 4.19Å; N84-L86 HydrophobicContact CB-CG 4.31Å; N84-L86 PolarHBondContact O-N 2.99Å; L86-I89 HydrophobicContact CD1-CD1 4.21Å; L86-L105 HydrophobicContact CD1-CD2 4.02Å; L86-Q109 CarbonylContact O-C 3.57Å; L86-Q109 VanDerWaalsContact O-C 3.28Å; L86-L110 VanDerWaalsContact O-CA 3.23Å; L86-L110 WeakPolarHBondContact O-CA 3.49Å; L86-L110 PolarHBondContact O-N 2.95Å; L86-L110 VanDerWaalsContact O-N 3.15Å
87	S	95.6	Very high	95.6	Very high	68 Å²	68	44.3 Å²	44.3	48%	0.476	25%	0.247	S	C	.	.			trans	-86.7	-33.9	177.9	56.9	0	0	0	0	113.1	N85 G111	N85-S87 PolarHBondContact O-N 2.9Å; S87-G111 PolarHBondContact O-N 3.22Å
88	S	96.4	Very high	95.4	Very high	46 Å²	46	44.8 Å²	44.8	32%	0.322	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.7	177.4	58.6	0	0	0	0	111.1	S112	S88-S112 VanDerWaalsContact CA-O 3.3Å; S88-S112 WeakPolarHBondContact CA-O 3.44Å; S88-S112 VanDerWaalsContact CB-OG 3.25Å; S88-S112 WeakPolarHBondContact CB-OG 3.42Å
89	I	96.3	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.8	168.6	-57.4	-55.3	0	0	0	108.6	L68 L86 A93 F94 L105 L110 S112 L113 E114 A117	L68-I89 HydrophobicContact CD2-CD1 4.37Å; L86-I89 HydrophobicContact CD1-CD1 4.21Å; I89-A93 HydrophobicContact CG2-CB 3.59Å; I89-F94 HydrophobicContact CG2-CE2 3.71Å; I89-F94 HydrophobicContact CG2-CZ 4.13Å; I89-L105 HydrophobicContact CD1-CD1 4.46Å; I89-L105 HydrophobicContact CD1-CD2 4.21Å; I89-L105 HydrophobicContact CG1-CD1 4.39Å; I89-L110 HydrophobicContact CD1-CD1 4.17Å; I89-L110 HydrophobicContact CG1-CD1 3.89Å; I89-L110 HydrophobicContact CG1-CD2 4.28Å; I89-S112 PolarHBondContact N-O 3.43Å; I89-L113 HydrophobicContact CB-CD2 3.78Å; I89-L113 HydrophobicContact CG1-CD2 3.58Å; I89-E114 VanDerWaalsContact O-CB 3.28Å; I89-E114 WeakPolarHBondContact O-CB 2.96Å; I89-E114 WeakPolarHBondContact O-CG 3.48Å; I89-E114 PolarHBondContact O-N 3.06Å; I89-A117 HydrophobicContact CB-CB 4.13Å; I89-A117 HydrophobicContact CG2-CB 3.77Å
90	P	95.1	Very high	95.3	Very high	64 Å²	64	47.2 Å²	47.2	42%	0.416	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-73.4	163.8	-177.7	30.3	-34.2	0	0	0	112.4	A93 A117	P90-A93 HydrophobicContact CG-CB 4.22Å; P90-A93 VanDerWaalsContact O-CB 3.29Å; P90-A93 WeakPolarHBondContact O-CB 3.33Å; P90-A93 PolarHBondContact O-N 3.5Å; P90-A117 WeakPolarHBondContact O-CA 3.27Å
91	P	95.5	Very high	95.3	Very high	73 Å²	73	45.2 Å²	45.2	47%	0.474	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	142.6	175.5	-24.2	34.9	0	0	0	112.3	A93 E114 P115	P91-A93 PolarHBondContact O-N 3.34Å; P91-A93 VanDerWaalsContact O-N 3.07Å; P91-E114 HydrophobicContact CG-CB 3.94Å; P91-P115 WeakPolarHBondContact CB-O 3.15Å; P91-P115 WeakPolarHBondContact CG-O 3.37Å
92	A	93.3	Very high	95.4	Very high	37 Å²	37	46.7 Å²	46.7	31%	0.306	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	20.2	177.2	0	0	0	0	0	115.4	F94 R95 Q116 L119	A92-F94 PolarHBondContact O-N 3.41Å; A92-F94 VanDerWaalsContact O-N 3.1Å; A92-R95 HydrophobicContact CB-CB 4.21Å; A92-R95 WeakPolarHBondContact O-CB 3.31Å; A92-R95 PolarHBondContact O-N 3.46Å; A92-Q116 PolarHBondContact N-O 2.82Å; A92-L119 HydrophobicContact CB-CD2 3.97Å
93	A	93.6	Very high	95.4	Very high	34 Å²	34	45.8 Å²	45.8	28%	0.281	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-34.3	178.7	0	0	0	0	0	114.1	L68 I89 P90 P91	L68-A93 HydrophobicContact CD1-CB 3.49Å; L68-A93 VanDerWaalsContact CD1-CB 3.49Å; I89-A93 HydrophobicContact CG2-CB 3.59Å; P90-A93 HydrophobicContact CG-CB 4.22Å; P90-A93 VanDerWaalsContact O-CB 3.29Å; P90-A93 WeakPolarHBondContact O-CB 3.33Å; P90-A93 PolarHBondContact O-N 3.5Å; P91-A93 PolarHBondContact O-N 3.34Å; P91-A93 VanDerWaalsContact O-N 3.07Å
94	F	95.1	Very high	95.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	17.7	-174.7	-51.1	-66.5	0	0	0	113.7	L68 L79 L81 I89 A92 N96 L97 L103 L105 A117 L118 L119 L121	L68-F94 HydrophobicContact CD1-CE1 3.96Å; L68-F94 HydrophobicContact CD1-CZ 4.1Å; L68-F94 HydrophobicContact CD2-CE1 4.14Å; L68-F94 HydrophobicContact CD2-CZ 4.3Å; L79-F94 HydrophobicContact CD2-CE1 4.23Å; L81-F94 HydrophobicContact CD1-CE1 4.36Å; I89-F94 HydrophobicContact CG2-CE2 3.71Å; I89-F94 HydrophobicContact CG2-CZ 4.13Å; A92-F94 PolarHBondContact O-N 3.41Å; A92-F94 VanDerWaalsContact O-N 3.1Å; F94-N96 PolarHBondContact O-N 2.8Å; F94-L97 HydrophobicContact CB-CD1 4.33Å; F94-L97 HydrophobicContact CD1-CD1 3.88Å; F94-L97 PolarHBondContact O-N 2.75Å; F94-L103 HydrophobicContact CD2-CD2 4.34Å; F94-L103 HydrophobicContact CE1-CD1 4.43Å; F94-L103 HydrophobicContact CE1-CD2 4.49Å; F94-L103 HydrophobicContact CE2-CD2 3.89Å; F94-L103 HydrophobicContact CZ-CD1 4.39Å; F94-L103 HydrophobicContact CZ-CD2 3.98Å; F94-L105 HydrophobicContact CZ-CD1 4.44Å; F94-A117 WeakPolarHBondContact CD2-O 3.32Å; F94-L118 HydrophobicContact CD2-CD2 4.28Å; F94-L118 HydrophobicContact CE2-CD2 4.22Å; F94-L119 CarbonylContact C-O 3.21Å; F94-L121 HydrophobicContact CB-CD1 3.91Å; F94-L121 HydrophobicContact CB-CD2 3.7Å; F94-L121 HydrophobicContact CB-CG 3.82Å; F94-L121 HydrophobicContact CD2-CD1 3.78Å; F94-L121 HydrophobicContact CG-CD1 4.05Å; F94-L121 HydrophobicContact CG-CD2 4.48Å
95	R	93.6	Very high	95.6	Very high	170 Å²	170	43.6 Å²	43.6	64%	0.642	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-30	-171.6	-177.3	177.6	178.2	-174.4	0.2	114.6	A92 L119	A92-R95 HydrophobicContact CB-CB 4.21Å; A92-R95 WeakPolarHBondContact O-CB 3.31Å; A92-R95 PolarHBondContact O-N 3.46Å; R95-L119 VanDerWaalsContact CA-O 3.28Å; R95-L119 WeakPolarHBondContact CA-O 3.23Å; R95-L119 PolarHBondContact N-O 3.27Å
96	N	91.8	Very high	95.6	Very high	132 Å²	132	42.9 Å²	42.9	71%	0.706	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	4.3	-177.4	-64.8	-12.9	0	0	0	113.6	G74 F94	G74-N96 WeakPolarHBondContact CA-O 3.25Å; F94-N96 PolarHBondContact O-N 2.8Å
97	L	94.2	Very high	95.3	Very high	9 Å²	9	44 Å²	44	5%	0.047	27%	0.267	C	S	.	.			trans	-107.4	50.1	-175	-54.7	-179.1	0	0	0	111.6	I72 P73 L79 F94 S99 L100 L121	I72-L97 HydrophobicContact CB-CD2 4.21Å; I72-L97 HydrophobicContact CD1-CD1 4.48Å; I72-L97 HydrophobicContact CG2-CD1 4.19Å; I72-L97 HydrophobicContact CG2-CD2 3.82Å; P73-L97 WeakPolarHBondContact O-CD2 3.34Å; L79-L97 HydrophobicContact CD2-CD1 4.01Å; F94-L97 HydrophobicContact CB-CD1 4.33Å; F94-L97 HydrophobicContact CD1-CD1 3.88Å; F94-L97 PolarHBondContact O-N 2.75Å; L97-S99 PolarHBondContact O-N 2.67Å; L97-L100 HydrophobicContact CB-CB 4.23Å; L97-L100 WeakPolarHBondContact O-CB 3.4Å; L97-L100 PolarHBondContact O-N 2.85Å; L97-L100 VanDerWaalsContact O-N 3.12Å; L97-L121 HydrophobicContact CB-CD2 4.33Å
98	S	93.5	Very high	95.1	Very high	64 Å²	64	41.9 Å²	41.9	45%	0.448	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19	-175.5	55.6	0	0	0	0	114.5	L100 G120 N123	S98-L100 VanDerWaalsContact C-N 3.3Å; S98-G120 WeakPolarHBondContact CA-O 3.46Å; S98-N123 PolarHBondContact O-ND2 2.99Å
99	S	94.9	Very high	95	Very high	53 Å²	53	43 Å²	43	37%	0.371	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.9	176.2	-63.8	0	0	0	0	113.6	T76 L97 A101	T76-S99 CarbonylContact O-C 3.08Å; L97-S99 PolarHBondContact O-N 2.67Å; S99-A101 PolarHBondContact O-N 2.74Å
100	L	97.3	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.257	C	S	.	.			trans	-71	118.7	-173.3	-165.2	73.4	0	0	0	111.2	T76 L79 L97 S98 F102 L103 L121 N123 L124	T76-L100 HydrophobicContact CG2-CD1 3.86Å; T76-L100 WeakPolarHBondContact O-CA 3.18Å; T76-L100 PolarHBondContact O-N 3.15Å; L79-L100 HydrophobicContact CB-CD1 3.61Å; L79-L100 HydrophobicContact CB-CD2 4.31Å; L97-L100 HydrophobicContact CB-CB 4.23Å; L97-L100 WeakPolarHBondContact O-CB 3.4Å; L97-L100 PolarHBondContact O-N 2.85Å; L97-L100 VanDerWaalsContact O-N 3.12Å; S98-L100 VanDerWaalsContact C-N 3.3Å; L100-F102 WeakPolarHBondContact CD1-O 3.31Å; L100-L103 HydrophobicContact CD2-CB 4Å; L100-L103 HydrophobicContact CD2-CD1 4.29Å; L100-L103 HydrophobicContact CD2-CD2 4.42Å; L100-L103 HydrophobicContact CD2-CG 4.47Å; L100-L121 HydrophobicContact CB-CD2 3.94Å; L100-L121 HydrophobicContact CD2-CD2 3.73Å; L100-L121 HydrophobicContact CG-CD2 4.44Å; L100-N123 CarbonylContact O-C 3.51Å; L100-L124 HydrophobicContact CD2-CD1 4.19Å; L100-L124 HydrophobicContact CG-CD1 4.16Å; L100-L124 WeakPolarHBondContact O-CA 3.37Å; L100-L124 PolarHBondContact O-N 3.23Å
101	A	97.6	Very high	95.1	Very high	36 Å²	36	41.6 Å²	41.6	30%	0.298	25%	0.253	S	S	.	.			trans	-102.5	-25.3	176.4	0	0	0	0	0	112.5	Q77 S99 C125 H126	Q77-A101 PolarHBondContact O-N 2.84Å; S99-A101 PolarHBondContact O-N 2.74Å; A101-C125 WeakPolarHBondContact O-CA 3.47Å; A101-C125 WeakPolarHBondContact O-CB 3.41Å; A101-C125 PolarHBondContact O-N 2.72Å; A101-H126 PolarHBondContact O-N 3.44Å
102	F	98.4	Very high	95.2	Very high	34 Å²	34	40 Å²	40	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.8	-178	179.7	-85.5	0	0	0	111.4	Q77 A78 L79 W80 L100 N104 H126 H128	Q77-F102 PolarHBondContact O-N 2.96Å; A78-F102 WeakPolarHBondContact CA-O 3.36Å; A78-F102 HydrophobicContact CB-CB 3.95Å; A78-F102 HydrophobicContact CB-CD1 4.06Å; A78-F102 HydrophobicContact CB-CG 4.36Å; L79-F102 PolarHBondContact N-O 2.95Å; W80-F102 AromaticContact CD2-CE1 3.81Å; W80-F102 HydrophobicContact CD2-CE1 3.81Å; W80-F102 AromaticContact CE2-CE1 3.52Å; W80-F102 HydrophobicContact CE3-CE1 4.08Å; W80-F102 HydrophobicContact CE3-CZ 4.47Å; W80-F102 HydrophobicContact CG-CE1 4.48Å; W80-F102 AromaticContact CH2-CE1 3.83Å; W80-F102 HydrophobicContact CH2-CE1 3.83Å; W80-F102 AromaticContact CH2-CZ 3.68Å; W80-F102 HydrophobicContact CH2-CZ 3.68Å; W80-F102 HydrophobicContact CZ2-CD1 4.34Å; W80-F102 AromaticContact CZ2-CE1 3.54Å; W80-F102 HydrophobicContact CZ2-CE1 3.54Å; W80-F102 AromaticContact CZ2-CZ 3.79Å; W80-F102 HydrophobicContact CZ2-CZ 3.79Å; W80-F102 HydrophobicContact CZ3-CE1 4.09Å; W80-F102 HydrophobicContact CZ3-CZ 4.04Å; L100-F102 WeakPolarHBondContact CD1-O 3.31Å; F102-N104 HydrophobicContact CE1-CB 3.6Å; F102-N104 HydrophobicContact CZ-CB 3.99Å; F102-H126 HydrophobicContact CD2-CB 3.64Å; F102-H126 AromaticContact CD2-ND1 3.82Å; F102-H126 HydrophobicContact CE2-CB 4.25Å; F102-H126 HydrophobicContact CG-CB 4.47Å; F102-H128 AromaticContact CE2-CD2 3.49Å; F102-H128 VanDerWaalsContact CE2-CD2 3.49Å; F102-H128 WeakPolarHBondContact CE2-CD2 3.38Å; F102-H128 AromaticContact CE2-NE2 3.43Å; F102-H128 WeakPolarHBondContact CE2-NE2 3.27Å; F102-H128 AromaticContact CZ-CD2 3.7Å
103	L	98.3	Very high	95.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.9	176.5	178.2	55.7	0	0	0	110.6	L79 L81 F94 L100 L105 L118 L121 L124 H126 L127 H128	L79-L103 HydrophobicContact CB-CD1 4.16Å; L79-L103 HydrophobicContact CD2-CD1 3.98Å; L79-L103 HydrophobicContact CG-CD1 4.11Å; L81-L103 HydrophobicContact CD1-CD1 4.28Å; F94-L103 HydrophobicContact CD2-CD2 4.34Å; F94-L103 HydrophobicContact CE1-CD1 4.43Å; F94-L103 HydrophobicContact CE1-CD2 4.49Å; F94-L103 HydrophobicContact CE2-CD2 3.89Å; F94-L103 HydrophobicContact CZ-CD1 4.39Å; F94-L103 HydrophobicContact CZ-CD2 3.98Å; L100-L103 HydrophobicContact CD2-CB 4Å; L100-L103 HydrophobicContact CD2-CD1 4.29Å; L100-L103 HydrophobicContact CD2-CD2 4.42Å; L100-L103 HydrophobicContact CD2-CG 4.47Å; L103-L105 HydrophobicContact CD1-CD1 4.31Å; L103-L105 HydrophobicContact CD1-CG 4.13Å; L103-L105 HydrophobicContact CD2-CD1 3.98Å; L103-L105 HydrophobicContact CG-CD1 4.04Å; L103-L105 HydrophobicContact CG-CG 4.2Å; L103-L118 HydrophobicContact CD2-CD2 4.47Å; L103-L121 HydrophobicContact CD2-CD1 4.04Å; L103-L124 HydrophobicContact CB-CD1 3.7Å; L103-L124 HydrophobicContact CB-CD2 4.44Å; L103-H126 PolarHBondContact N-O 3.49Å; L103-L127 HydrophobicContact CB-CD1 4.11Å; L103-L127 HydrophobicContact CD2-CD1 3.91Å; L103-L127 HydrophobicContact CG-CD1 3.99Å; L103-H128 PolarHBondContact O-N 3.49Å
104	N	98.3	Very high	95.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.3	177.3	-166.2	-10.1	0	0	0	112.5	L79 W80 L81 D82 F102 Q106 H128	L79-N104 PolarHBondContact O-N 3.44Å; W80-N104 HydrophobicContact CE3-CB 4.12Å; W80-N104 WeakPolarHBondContact CZ3-ND2 3.3Å; L81-N104 CarbonylContact C-O 3.29Å; L81-N104 WeakPolarHBondContact CA-O 3.17Å; L81-N104 WeakPolarHBondContact CB-O 3.35Å; L81-N104 PolarHBondContact N-O 2.81Å; D82-N104 PolarHBondContact N-O 3.24Å; F102-N104 HydrophobicContact CE1-CB 3.6Å; F102-N104 HydrophobicContact CZ-CB 3.99Å; N104-Q106 PolarHBondContact ND2-NE2 2.84Å; N104-Q106 VanDerWaalsContact ND2-NE2 3.1Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.38Å; N104-Q106 WeakPolarHBondContact OD1-CG 3.38Å; N104-Q106 PolarHBondContact OD1-N 3.21Å; N104-H128 HydrophobicContact CB-CB 4.39Å
105	L	97.4	Very high	95.2	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.047	26%	0.264	C	S	.	.			trans	-123.8	21.1	178.9	-71.8	165.5	0	0	0	111.3	L81 L86 I89 F94 L103 H128 L129 N132	L81-L105 HydrophobicContact CB-CD2 3.69Å; L81-L105 HydrophobicContact CD1-CD2 3.87Å; L81-L105 HydrophobicContact CG-CD2 4.46Å; L86-L105 HydrophobicContact CD1-CD2 4.02Å; I89-L105 HydrophobicContact CD1-CD1 4.46Å; I89-L105 HydrophobicContact CD1-CD2 4.21Å; I89-L105 HydrophobicContact CG1-CD1 4.39Å; F94-L105 HydrophobicContact CZ-CD1 4.44Å; L103-L105 HydrophobicContact CD1-CD1 4.31Å; L103-L105 HydrophobicContact CD1-CG 4.13Å; L103-L105 HydrophobicContact CD2-CD1 3.98Å; L103-L105 HydrophobicContact CG-CD1 4.04Å; L103-L105 HydrophobicContact CG-CG 4.2Å; L105-H128 CarbonylContact C-O 3.49Å; L105-H128 WeakPolarHBondContact CA-O 3.35Å; L105-H128 PolarHBondContact N-O 3.25Å; L105-L129 HydrophobicContact CB-CD2 3.92Å; L105-L129 HydrophobicContact CD1-CD2 3.93Å; L105-N132 PolarHBondContact O-ND2 3.37Å
106	Q	96.4	Very high	95.2	Very high	56 Å²	56	42 Å²	42	26%	0.262	26%	0.256	S	S	.	.			trans	-71.1	161.5	-174.3	77.5	-177.1	-43.6	0	0	113.5	D82 S83 N104 G108 E130	D82-Q106 CarbonylContact C-O 3.07Å; D82-Q106 WeakPolarHBondContact CA-O 3.37Å; D82-Q106 HydrophobicContact CB-CG 3.58Å; D82-Q106 WeakPolarHBondContact CB-O 3.37Å; S83-Q106 PolarHBondContact N-O 3.37Å; N104-Q106 PolarHBondContact ND2-NE2 2.84Å; N104-Q106 VanDerWaalsContact ND2-NE2 3.1Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.38Å; N104-Q106 WeakPolarHBondContact OD1-CG 3.38Å; N104-Q106 PolarHBondContact OD1-N 3.21Å; Q106-G108 PolarHBondContact O-N 3.12Å; Q106-E130 CarbonylContact C-O 3.5Å; Q106-E130 WeakPolarHBondContact CA-O 3.42Å; Q106-E130 HydrophobicContact CB-CB 4.5Å; Q106-E130 WeakPolarHBondContact CB-O 3.46Å
107	G	89	Confident	95.4	Very high	33 Å²	33	35.9 Å²	35.9	34%	0.34	22%	0.224	S	C	.	.	S	Bend	trans	68.9	28.9	162.9	0	0	0	0	0	115.1	S83 E130 R131	S83-G107 WeakPolarHBondContact CA-O 3.5Å; G107-E130 PolarHBondContact N-O 3.34Å; G107-R131 WeakPolarHBondContact CA-O 3.4Å; G107-R131 PolarHBondContact N-O 3.23Å
108	G	91.4	Very high	95.5	Very high	24 Å²	24	35.5 Å²	35.5	25%	0.247	22%	0.222	C	C	.	.	S	Bend	trans	-115.2	-152.6	178.8	0	0	0	0	0	113.4	N84 Q106 N132	N84-G108 WeakPolarHBondContact O-CA 3.38Å; Q106-G108 PolarHBondContact O-N 3.12Å; G108-N132 VanDerWaalsContact C-OD1 3.27Å; G108-N132 WeakPolarHBondContact CA-OD1 3.41Å; G108-N132 PolarHBondContact N-OD1 3.03Å
109	Q	95	Very high	95.6	Very high	68 Å²	68	34.3 Å²	34.3	32%	0.318	21%	0.21	S	C	.	.			trans	-114.5	25.3	176.1	65	170.5	3.9	0	0	112.9	N85 L86 G111	N85-Q109 VanDerWaalsContact CG-CD 3.49Å; N85-Q109 PolarHBondContact ND2-NE2 2.94Å; N85-Q109 PolarHBondContact O-NE2 3.33Å; N85-Q109 WeakPolarHBondContact OD1-CG 3.35Å; N85-Q109 PolarHBondContact OD1-NE2 2.83Å; N85-Q109 PolarHBondContact OD1-OE1 2.9Å; L86-Q109 CarbonylContact O-C 3.57Å; L86-Q109 VanDerWaalsContact O-C 3.28Å; Q109-G111 PolarHBondContact O-N 2.81Å; Q109-G111 VanDerWaalsContact O-N 3.11Å
110	L	97.1	Very high	95.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	20%	0.2	C	C	.	.			trans	-64.7	115.2	-171.5	-172.7	67.1	0	0	0	110.9	L86 I89 S112 L113 L129 N132 Q133 L134	L86-L110 VanDerWaalsContact O-CA 3.23Å; L86-L110 WeakPolarHBondContact O-CA 3.49Å; L86-L110 PolarHBondContact O-N 2.95Å; L86-L110 VanDerWaalsContact O-N 3.15Å; I89-L110 HydrophobicContact CD1-CD1 4.17Å; I89-L110 HydrophobicContact CG1-CD1 3.89Å; I89-L110 HydrophobicContact CG1-CD2 4.28Å; L110-S112 WeakPolarHBondContact CD1-O 3.46Å; L110-L113 HydrophobicContact CD2-CD2 3.87Å; L110-L129 HydrophobicContact CD2-CD2 3.74Å; L110-N132 HydrophobicContact CB-CB 3.99Å; L110-N132 VanDerWaalsContact CB-OD1 3.25Å; L110-N132 WeakPolarHBondContact CB-OD1 3.33Å; L110-N132 PolarHBondContact N-OD1 3.43Å; L110-N132 VanDerWaalsContact N-OD1 3.14Å; L110-Q133 CarbonylContact O-C 3.51Å; L110-Q133 VanDerWaalsContact O-C 3.26Å; L110-Q133 WeakPolarHBondContact O-CA 3.1Å; L110-Q133 PolarHBondContact O-N 2.99Å; L110-L134 HydrophobicContact CD2-CD2 4.45Å; L110-L134 HydrophobicContact CG-CD2 4.22Å; L110-L134 PolarHBondContact O-N 3.48Å; L110-L134 VanDerWaalsContact O-N 3.17Å
111	G	96.3	Very high	95.4	Very high	31 Å²	31	32.5 Å²	32.5	32%	0.32	20%	0.2	S	C	.	.			trans	-99.8	-29.3	-176.1	0	0	0	0	0	114.1	S87 Q109	S87-G111 PolarHBondContact O-N 3.22Å; Q109-G111 PolarHBondContact O-N 2.81Å; Q109-G111 VanDerWaalsContact O-N 3.11Å
112	S	95.9	Very high	95.2	Very high	40 Å²	40	37.2 Å²	37.2	28%	0.28	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.3	178.7	63	0	0	0	0	113.2	S88 I89 L110 E114	S88-S112 VanDerWaalsContact CA-O 3.3Å; S88-S112 WeakPolarHBondContact CA-O 3.44Å; S88-S112 VanDerWaalsContact CB-OG 3.25Å; S88-S112 WeakPolarHBondContact CB-OG 3.42Å; I89-S112 PolarHBondContact N-O 3.43Å; L110-S112 WeakPolarHBondContact CD1-O 3.46Å; S112-E114 PolarHBondContact OG-OE1 2.98Å; S112-E114 VanDerWaalsContact OG-OE1 3.12Å
113	L	96.1	Very high	95.1	Very high	19 Å²	19	40 Å²	40	10%	0.099	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.7	159.2	-63.3	178.6	0	0	0	106.4	I89 L110 A117 L129 L134 L137 T141	I89-L113 HydrophobicContact CB-CD2 3.78Å; I89-L113 HydrophobicContact CG1-CD2 3.58Å; L110-L113 HydrophobicContact CD2-CD2 3.87Å; L113-A117 HydrophobicContact CB-CB 4.32Å; L113-L129 HydrophobicContact CD1-CD1 3.98Å; L113-L134 HydrophobicContact CG-CD2 4.44Å; L113-L137 HydrophobicContact CD1-CD2 3.99Å; L113-L137 HydrophobicContact CG-CD2 4.49Å; L113-T141 HydrophobicContact CD1-CG2 4Å
114	E	94.1	Very high	95.1	Very high	76 Å²	76	40 Å²	40	36%	0.355	23%	0.232	S	C	.	.			trans	-68.4	157.6	178.6	-64.5	-57.9	138.5	0	0	110.8	I89 P91 S112 Q116 A117	I89-E114 VanDerWaalsContact O-CB 3.28Å; I89-E114 WeakPolarHBondContact O-CB 2.96Å; I89-E114 WeakPolarHBondContact O-CG 3.48Å; I89-E114 PolarHBondContact O-N 3.06Å; P91-E114 HydrophobicContact CG-CB 3.94Å; S112-E114 PolarHBondContact OG-OE1 2.98Å; S112-E114 VanDerWaalsContact OG-OE1 3.12Å; E114-Q116 PolarHBondContact O-N 3.05Å; E114-A117 WeakPolarHBondContact O-CB 3.2Å; E114-A117 PolarHBondContact O-N 2.79Å
115	P	92.4	Very high	95.1	Very high	90 Å²	90	41.9 Å²	41.9	58%	0.584	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	133.4	176	-26.7	35.2	0	0	0	111.4	P91 A117	P91-P115 WeakPolarHBondContact CB-O 3.15Å; P91-P115 WeakPolarHBondContact CG-O 3.37Å; P115-A117 PolarHBondContact O-N 2.87Å
116	Q	94.3	Very high	95.1	Very high	101 Å²	101	44.8 Å²	44.8	47%	0.472	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	20	-177.4	-45.1	177.3	10.5	0	0	114.7	A92 E114 L118 L119 Y144	A92-Q116 PolarHBondContact N-O 2.82Å; E114-Q116 PolarHBondContact O-N 3.05Å; Q116-L118 PolarHBondContact O-N 2.94Å; Q116-L119 HydrophobicContact CB-CB 4.26Å; Q116-L119 VanDerWaalsContact O-CB 3.23Å; Q116-L119 WeakPolarHBondContact O-CB 3.06Å; Q116-L119 PolarHBondContact O-N 3.42Å; Q116-L119 VanDerWaalsContact O-N 3.13Å; Q116-Y144 HydrophobicContact CB-CE2 4.24Å; Q116-Y144 HydrophobicContact CG-CE2 4.07Å
117	A	96.1	Very high	95.2	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.8	174.5	0	0	0	0	0	113.1	I89 P90 F94 L113 E114 P115 L119	I89-A117 HydrophobicContact CB-CB 4.13Å; I89-A117 HydrophobicContact CG2-CB 3.77Å; P90-A117 WeakPolarHBondContact O-CA 3.27Å; F94-A117 WeakPolarHBondContact CD2-O 3.32Å; L113-A117 HydrophobicContact CB-CB 4.32Å; E114-A117 WeakPolarHBondContact O-CB 3.2Å; E114-A117 PolarHBondContact O-N 2.79Å; P115-A117 PolarHBondContact O-N 2.87Å; A117-L119 VanDerWaalsContact C-N 3.34Å
118	L	96.3	Very high	95.7	Very high	2 Å²	2	42 Å²	42	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	15.2	-179	-56	178.6	0	0	0	113.6	F94 L103 Q116 G120 L121 L127 T141 F142 Y144 T145	F94-L118 HydrophobicContact CD2-CD2 4.28Å; F94-L118 HydrophobicContact CE2-CD2 4.22Å; L103-L118 HydrophobicContact CD2-CD2 4.47Å; Q116-L118 PolarHBondContact O-N 2.94Å; L118-G120 PolarHBondContact O-N 3Å; L118-L121 HydrophobicContact CB-CD1 4.2Å; L118-L121 HydrophobicContact CD2-CD1 3.88Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.03Å; L118-L127 HydrophobicContact CD1-CD2 3.86Å; L118-T141 HydrophobicContact CD1-CG2 4.35Å; L118-F142 HydrophobicContact CD1-CD1 3.91Å; L118-F142 HydrophobicContact CD1-CE1 4.16Å; L118-Y144 WeakPolarHBondContact O-CB 3.34Å; L118-T145 HydrophobicContact CB-CG2 3.98Å; L118-T145 HydrophobicContact CD1-CG2 4.18Å
119	L	95.3	Very high	96	Very high	39 Å²	39	40.8 Å²	40.8	20%	0.204	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	131.4	178.6	179	68.1	0	0	0	111	A92 F94 R95 Q116 A117 Y144	A92-L119 HydrophobicContact CB-CD2 3.97Å; F94-L119 CarbonylContact C-O 3.21Å; R95-L119 VanDerWaalsContact CA-O 3.28Å; R95-L119 WeakPolarHBondContact CA-O 3.23Å; R95-L119 PolarHBondContact N-O 3.27Å; Q116-L119 HydrophobicContact CB-CB 4.26Å; Q116-L119 VanDerWaalsContact O-CB 3.23Å; Q116-L119 WeakPolarHBondContact O-CB 3.06Å; Q116-L119 PolarHBondContact O-N 3.42Å; Q116-L119 VanDerWaalsContact O-N 3.13Å; A117-L119 VanDerWaalsContact C-N 3.34Å; L119-Y144 HydrophobicContact CD1-CD1 3.53Å; L119-Y144 HydrophobicContact CD1-CE1 3.52Å; L119-Y144 HydrophobicContact CD1-CG 4.08Å
120	G	90.9	Very high	96.2	Very high	15 Å²	15	38.8 Å²	38.8	16%	0.155	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-5.5	177.8	0	0	0	0	0	115.1	S98 L118 E122	S98-G120 WeakPolarHBondContact CA-O 3.46Å; L118-G120 PolarHBondContact O-N 3Å; G120-E122 VanDerWaalsContact C-N 3.31Å; G120-E122 PolarHBondContact O-N 2.64Å
121	L	96.1	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.			trans	-90.1	49.4	-175.2	-65.2	-175.7	0	0	0	113.5	F94 L97 L100 L103 L118 N123 L124 Y144 T145	F94-L121 HydrophobicContact CB-CD1 3.91Å; F94-L121 HydrophobicContact CB-CD2 3.7Å; F94-L121 HydrophobicContact CB-CG 3.82Å; F94-L121 HydrophobicContact CD2-CD1 3.78Å; F94-L121 HydrophobicContact CG-CD1 4.05Å; F94-L121 HydrophobicContact CG-CD2 4.48Å; L97-L121 HydrophobicContact CB-CD2 4.33Å; L100-L121 HydrophobicContact CB-CD2 3.94Å; L100-L121 HydrophobicContact CD2-CD2 3.73Å; L100-L121 HydrophobicContact CG-CD2 4.44Å; L103-L121 HydrophobicContact CD2-CD1 4.04Å; L118-L121 HydrophobicContact CB-CD1 4.2Å; L118-L121 HydrophobicContact CD2-CD1 3.88Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.03Å; L121-N123 VanDerWaalsContact C-N 3.29Å; L121-N123 PolarHBondContact O-N 2.97Å; L121-L124 HydrophobicContact CB-CB 4.02Å; L121-L124 HydrophobicContact CB-CD2 4.38Å; L121-L124 HydrophobicContact CD1-CD2 4.02Å; L121-L124 WeakPolarHBondContact O-CB 3.19Å; L121-L124 PolarHBondContact O-N 2.79Å; L121-Y144 CarbonylContact C-O 3.58Å; L121-Y144 VanDerWaalsContact C-O 3.29Å; L121-T145 HydrophobicContact CB-CG2 3.79Å
122	E	93.9	Very high	96.3	Very high	134 Å²	134	45.2 Å²	45.2	63%	0.626	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.6	-172.5	-65.4	-178.5	-174.5	0	0	113.7	G120 A147	G120-E122 VanDerWaalsContact C-N 3.31Å; G120-E122 PolarHBondContact O-N 2.64Å; E122-A147 WeakPolarHBondContact O-CB 3.43Å
123	N	96.1	Very high	96.4	Very high	92 Å²	92	46.6 Å²	46.6	49%	0.492	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	6.8	-179.7	-65.8	-49.2	0	0	0	113.7	S98 L100 L121 C125	S98-N123 PolarHBondContact O-ND2 2.99Å; L100-N123 CarbonylContact O-C 3.51Å; L121-N123 VanDerWaalsContact C-N 3.29Å; L121-N123 PolarHBondContact O-N 2.97Å; N123-C125 PolarHBondContact O-N 3.3Å; N123-C125 PolarHBondContact O-SG 2.9Å
124	L	98.1	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.			trans	-68.9	116.5	-176.4	-171.9	74.6	0	0	0	110.7	L100 L103 L121 L127 T145 A147 L148	L100-L124 HydrophobicContact CD2-CD1 4.19Å; L100-L124 HydrophobicContact CG-CD1 4.16Å; L100-L124 WeakPolarHBondContact O-CA 3.37Å; L100-L124 PolarHBondContact O-N 3.23Å; L103-L124 HydrophobicContact CB-CD1 3.7Å; L103-L124 HydrophobicContact CB-CD2 4.44Å; L121-L124 HydrophobicContact CB-CB 4.02Å; L121-L124 HydrophobicContact CB-CD2 4.38Å; L121-L124 HydrophobicContact CD1-CD2 4.02Å; L121-L124 WeakPolarHBondContact O-CB 3.19Å; L121-L124 PolarHBondContact O-N 2.79Å; L124-L127 HydrophobicContact CD2-CB 4.06Å; L124-L127 HydrophobicContact CD2-CD1 4.36Å; L124-L127 HydrophobicContact CD2-CD2 4.36Å; L124-T145 HydrophobicContact CB-CG2 4.35Å; L124-T145 HydrophobicContact CD2-CG2 3.98Å; L124-A147 CarbonylContact O-C 3.47Å; L124-A147 VanDerWaalsContact O-C 3.23Å; L124-L148 HydrophobicContact CD2-CD2 4.02Å; L124-L148 HydrophobicContact CG-CD2 4.05Å; L124-L148 VanDerWaalsContact O-CA 3.29Å; L124-L148 WeakPolarHBondContact O-CA 3.18Å; L124-L148 WeakPolarHBondContact O-CD2 3.07Å; L124-L148 PolarHBondContact O-N 2.82Å; L124-L148 VanDerWaalsContact O-N 3.09Å
125	C	98.2	Very high	96.5	Very high	45 Å²	45	49.9 Å²	49.9	30%	0.304	24%	0.24	S	C	.	.			trans	-94.4	-44	179	-66.3	0	0	0	0	111.4	A101 N123 A149 L150	A101-C125 WeakPolarHBondContact O-CA 3.47Å; A101-C125 WeakPolarHBondContact O-CB 3.41Å; A101-C125 PolarHBondContact O-N 2.72Å; N123-C125 PolarHBondContact O-N 3.3Å; N123-C125 PolarHBondContact O-SG 2.9Å; C125-A149 HydrophobicContact CB-CB 4.45Å; C125-A149 PolarHBondContact O-N 3.5Å; C125-L150 PolarHBondContact O-N 3.25Å
126	H	98.6	Very high	96.7	Very high	69 Å²	69	48.4 Å²	48.4	32%	0.319	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.1	-173	-61.7	-178.6	0	0	0	110.5	A101 F102 L103	A101-H126 PolarHBondContact O-N 3.44Å; F102-H126 HydrophobicContact CD2-CB 3.64Å; F102-H126 AromaticContact CD2-ND1 3.82Å; F102-H126 HydrophobicContact CE2-CB 4.25Å; F102-H126 HydrophobicContact CG-CB 4.47Å; L103-H126 PolarHBondContact N-O 3.49Å
127	L	98.6	Very high	96.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.3	176.2	178.6	55.7	0	0	0	110.7	L103 L118 L124 L129 F142 L148 L150 L151 G152	L103-L127 HydrophobicContact CB-CD1 4.11Å; L103-L127 HydrophobicContact CD2-CD1 3.91Å; L103-L127 HydrophobicContact CG-CD1 3.99Å; L118-L127 HydrophobicContact CD1-CD2 3.86Å; L124-L127 HydrophobicContact CD2-CB 4.06Å; L124-L127 HydrophobicContact CD2-CD1 4.36Å; L124-L127 HydrophobicContact CD2-CD2 4.36Å; L127-L129 HydrophobicContact CD1-CD1 4.32Å; L127-L129 HydrophobicContact CD1-CG 4.11Å; L127-L129 HydrophobicContact CD2-CD1 3.97Å; L127-L129 HydrophobicContact CG-CD1 3.98Å; L127-L129 HydrophobicContact CG-CG 4.13Å; L127-F142 HydrophobicContact CD2-CD1 4.39Å; L127-F142 HydrophobicContact CD2-CE1 3.92Å; L127-L148 HydrophobicContact CB-CD2 3.75Å; L127-L150 PolarHBondContact N-O 3.02Å; L127-L151 HydrophobicContact CB-CD1 4.08Å; L127-L151 HydrophobicContact CD2-CD1 3.91Å; L127-L151 HydrophobicContact CG-CD1 4Å; L127-G152 PolarHBondContact O-N 2.92Å
128	H	98.6	Very high	96.6	Very high	30 Å²	30	46.7 Å²	46.7	14%	0.139	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.2	-179.9	-67.1	-78.3	0	0	0	110.7	F102 L103 N104 L105 E130	F102-H128 AromaticContact CE2-CD2 3.49Å; F102-H128 VanDerWaalsContact CE2-CD2 3.49Å; F102-H128 WeakPolarHBondContact CE2-CD2 3.38Å; F102-H128 AromaticContact CE2-NE2 3.43Å; F102-H128 WeakPolarHBondContact CE2-NE2 3.27Å; F102-H128 AromaticContact CZ-CD2 3.7Å; L103-H128 PolarHBondContact O-N 3.49Å; N104-H128 HydrophobicContact CB-CB 4.39Å; L105-H128 CarbonylContact C-O 3.49Å; L105-H128 WeakPolarHBondContact CA-O 3.35Å; L105-H128 PolarHBondContact N-O 3.25Å; H128-E130 VanDerWaalsContact C-OE2 3.24Å; H128-E130 WeakPolarHBondContact CA-OE2 3.15Å; H128-E130 WeakPolarHBondContact CB-OE2 3.49Å; H128-E130 IonicContact CE1-OE1 3.35Å; H128-E130 IonicContact CG-OE1 2.6Å; H128-E130 IonicContact CG-OE2 2.76Å; H128-E130 IonicContact ND1-OE1 3.72Å; H128-E130 PolarHBondContact ND1-OE1 3.5Å; H128-E130 IonicContact ND1-OE2 3.86Å
129	L	98.3	Very high	96.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.			trans	-123.8	14.8	179.1	-69.5	164.7	0	0	0	111.7	L105 L110 L113 L127 N132 L134 G152 L153 N156	L105-L129 HydrophobicContact CB-CD2 3.92Å; L105-L129 HydrophobicContact CD1-CD2 3.93Å; L110-L129 HydrophobicContact CD2-CD2 3.74Å; L113-L129 HydrophobicContact CD1-CD1 3.98Å; L127-L129 HydrophobicContact CD1-CD1 4.32Å; L127-L129 HydrophobicContact CD1-CG 4.11Å; L127-L129 HydrophobicContact CD2-CD1 3.97Å; L127-L129 HydrophobicContact CG-CD1 3.98Å; L127-L129 HydrophobicContact CG-CG 4.13Å; L129-N132 PolarHBondContact O-ND2 2.87Å; L129-L134 HydrophobicContact CB-CD1 4.2Å; L129-L134 HydrophobicContact CD1-CD1 4.47Å; L129-G152 CarbonylContact C-O 3.11Å; L129-G152 WeakPolarHBondContact CA-O 3.42Å; L129-G152 WeakPolarHBondContact CB-O 3.36Å; L129-G152 PolarHBondContact N-O 2.98Å; L129-L153 HydrophobicContact CB-CD2 3.94Å; L129-L153 HydrophobicContact CD1-CD2 3.82Å; L129-N156 PolarHBondContact O-ND2 3.21Å
130	E	98.2	Very high	96.3	Very high	26 Å²	26	50 Å²	50	12%	0.121	26%	0.263	C	S	.	.			trans	-64	153.9	-175.8	-54.6	90	152	0	0	112.2	Q106 G107 H128 N132 G152 S154	Q106-E130 CarbonylContact C-O 3.5Å; Q106-E130 WeakPolarHBondContact CA-O 3.42Å; Q106-E130 HydrophobicContact CB-CB 4.5Å; Q106-E130 WeakPolarHBondContact CB-O 3.46Å; G107-E130 PolarHBondContact N-O 3.34Å; H128-E130 VanDerWaalsContact C-OE2 3.24Å; H128-E130 WeakPolarHBondContact CA-OE2 3.15Å; H128-E130 WeakPolarHBondContact CB-OE2 3.49Å; H128-E130 IonicContact CE1-OE1 3.35Å; H128-E130 IonicContact CG-OE1 2.6Å; H128-E130 IonicContact CG-OE2 2.76Å; H128-E130 IonicContact ND1-OE1 3.72Å; H128-E130 PolarHBondContact ND1-OE1 3.5Å; H128-E130 IonicContact ND1-OE2 3.86Å; E130-N132 PolarHBondContact O-N 2.98Å; E130-N132 PolarHBondContact O-ND2 2.83Å; E130-G152 PolarHBondContact N-O 3.48Å; E130-G152 WeakPolarHBondContact OE1-CA 3.46Å; E130-S154 CarbonylContact C-O 3.09Å; E130-S154 WeakPolarHBondContact CA-O 3.24Å; E130-S154 WeakPolarHBondContact CG-OG 3.43Å
131	R	97.9	Very high	96.5	Very high	161 Å²	161	50.2 Å²	50.2	61%	0.608	26%	0.261	S	S	*	.	S	Bend	trans	56.7	46.2	174.8	-59.2	176.2	174.5	157.3	-0.8	112.9	G107 S154 N155	G107-R131 WeakPolarHBondContact CA-O 3.4Å; G107-R131 PolarHBondContact N-O 3.23Å; R131-S154 PolarHBondContact N-O 3.28Å; R131-N155 VanDerWaalsContact CA-O 3.27Å; R131-N155 WeakPolarHBondContact CA-O 3.41Å; R131-N155 HydrophobicContact CB-CB 4.39Å; R131-N155 HydrophobicContact CG-CB 3.77Å; R131-N155 PolarHBondContact N-O 2.74Å
132	N	98.2	Very high	96.4	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.048	26%	0.261	C	S	.	.	S	Bend	trans	-118	-164.3	174.5	-82.7	-62.2	0	0	0	110.7	L105 G108 L110 L129 E130 L134 N155 N156	L105-N132 PolarHBondContact O-ND2 3.37Å; G108-N132 VanDerWaalsContact C-OD1 3.27Å; G108-N132 WeakPolarHBondContact CA-OD1 3.41Å; G108-N132 PolarHBondContact N-OD1 3.03Å; L110-N132 HydrophobicContact CB-CB 3.99Å; L110-N132 VanDerWaalsContact CB-OD1 3.25Å; L110-N132 WeakPolarHBondContact CB-OD1 3.33Å; L110-N132 PolarHBondContact N-OD1 3.43Å; L110-N132 VanDerWaalsContact N-OD1 3.14Å; L129-N132 PolarHBondContact O-ND2 2.87Å; E130-N132 PolarHBondContact O-N 2.98Å; E130-N132 PolarHBondContact O-ND2 2.83Å; N132-L134 HydrophobicContact CB-CG 4.5Å; N132-N155 PolarHBondContact N-O 2.72Å; N132-N156 WeakPolarHBondContact CA-OD1 3.04Å; N132-N156 WeakPolarHBondContact CB-OD1 3.28Å; N132-N156 PolarHBondContact N-OD1 2.97Å; N132-N156 PolarHBondContact O-OD1 3.29Å
133	Q	97.5	Very high	96.4	Very high	68 Å²	68	47 Å²	47	32%	0.318	26%	0.257	S	S	.	.			trans	-116.9	22.3	-178	-55.9	-169	23.4	0	0	113.3	L110 R135 N156	L110-Q133 CarbonylContact O-C 3.51Å; L110-Q133 VanDerWaalsContact O-C 3.26Å; L110-Q133 WeakPolarHBondContact O-CA 3.1Å; L110-Q133 PolarHBondContact O-N 2.99Å; Q133-R135 PolarHBondContact O-N 3.36Å; Q133-N156 PolarHBondContact N-OD1 2.91Å
134	L	97.6	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.			trans	-60.8	125.2	-177.6	-63.4	170.4	0	0	0	110.5	L110 L113 L129 N132 L137 L153 N156 R157 L158	L110-L134 HydrophobicContact CD2-CD2 4.45Å; L110-L134 HydrophobicContact CG-CD2 4.22Å; L110-L134 PolarHBondContact O-N 3.48Å; L110-L134 VanDerWaalsContact O-N 3.17Å; L113-L134 HydrophobicContact CG-CD2 4.44Å; L129-L134 HydrophobicContact CB-CD1 4.2Å; L129-L134 HydrophobicContact CD1-CD1 4.47Å; N132-L134 HydrophobicContact CB-CG 4.5Å; L134-L137 HydrophobicContact CD1-CD2 4.46Å; L134-L153 HydrophobicContact CD1-CD2 4.09Å; L134-N156 HydrophobicContact CB-CB 4.22Å; L134-N156 WeakPolarHBondContact CB-OD1 3.31Å; L134-N156 WeakPolarHBondContact CG-OD1 3.49Å; L134-N156 PolarHBondContact N-OD1 2.93Å; L134-R157 CarbonylContact O-C 3.04Å; L134-R157 VanDerWaalsContact O-CA 3.25Å; L134-R157 WeakPolarHBondContact O-CA 3.49Å; L134-R157 PolarHBondContact O-N 3.34Å; L134-L158 HydrophobicContact CB-CD2 4.18Å; L134-L158 PolarHBondContact O-N 3.2Å; L134-L158 VanDerWaalsContact O-N 3.14Å
135	R	96.1	Very high	96.3	Very high	164 Å²	164	46.5 Å²	46.5	62%	0.619	25%	0.248	S	C	*	.			trans	-98.7	-29.6	-179.8	-62.4	-173.9	-175	-158.5	2.3	113.5	Q133 R157 L158 S159	Q133-R135 PolarHBondContact O-N 3.36Å; R135-R157 HydrophobicContact CG-CB 4.29Å; R135-L158 WeakPolarHBondContact O-CA 3.44Å; R135-S159 PolarHBondContact O-N 3.37Å
136	S	95.1	Very high	96.1	Very high	60 Å²	60	47.4 Å²	47.4	42%	0.42	25%	0.254	S	S	.	.			trans	-158.6	157.4	179.4	53.1	0	0	0	0	109.7
137	L	95.3	Very high	96.1	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	25%	0.249	C	C	.	.			trans	-124	136.8	170.5	-65.5	169	0	0	0	107.8	L113 L134 F142 L153 L158 L165	L113-L137 HydrophobicContact CD1-CD2 3.99Å; L113-L137 HydrophobicContact CG-CD2 4.49Å; L134-L137 HydrophobicContact CD1-CD2 4.46Å; L137-F142 HydrophobicContact CD1-CE2 4.11Å; L137-F142 HydrophobicContact CD1-CZ 3.94Å; L137-L153 HydrophobicContact CD1-CD1 3.78Å; L137-L153 HydrophobicContact CD1-CD2 3.86Å; L137-L158 HydrophobicContact CG-CD2 4.32Å; L137-L165 HydrophobicContact CB-CD1 3.8Å; L137-L165 HydrophobicContact CB-CD2 4.16Å; L137-L165 HydrophobicContact CD1-CD2 4.47Å
138	A	92.9	Very high	96	Very high	55 Å²	55	45.3 Å²	45.3	46%	0.455	25%	0.249	S	C	.	.			trans	-79.4	146.8	179.8	0	0	0	0	0	110.7	G140 T141 L165	A138-G140 PolarHBondContact O-N 3.33Å; A138-T141 PolarHBondContact N-OG1 3.29Å; A138-T141 WeakPolarHBondContact O-CB 3.35Å; A138-T141 PolarHBondContact O-N 3.26Å; A138-T141 VanDerWaalsContact O-N 3.09Å; A138-T141 PolarHBondContact O-OG1 2.86Å; A138-L165 WeakPolarHBondContact O-CD1 3.35Å
139	V	93.7	Very high	96	Very high	75 Å²	75	44.8 Å²	44.8	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	137.1	168.4	178.9	0	0	0	0	109.5	E162 D163	V139-E162 HydrophobicContact CG2-CB 3.72Å; V139-D163 WeakPolarHBondContact CG2-O 3.46Å
140	G	92.3	Very high	96	Very high	37 Å²	37	46 Å²	46	38%	0.381	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	0.3	-176	0	0	0	0	0	115.2	A138 F142 A143	A138-G140 PolarHBondContact O-N 3.33Å; G140-F142 PolarHBondContact O-N 3.3Å; G140-A143 VanDerWaalsContact O-CB 3.32Å; G140-A143 WeakPolarHBondContact O-CB 3.18Å; G140-A143 PolarHBondContact O-N 3.39Å; G140-A143 VanDerWaalsContact O-N 3.13Å
141	T	94.7	Very high	96.1	Very high	18 Å²	18	44.7 Å²	44.7	11%	0.11	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.7	173.6	-63	0	0	0	0	111.7	L113 L118 A138	L113-T141 HydrophobicContact CD1-CG2 4Å; L118-T141 HydrophobicContact CD1-CG2 4.35Å; A138-T141 PolarHBondContact N-OG1 3.29Å; A138-T141 WeakPolarHBondContact O-CB 3.35Å; A138-T141 PolarHBondContact O-N 3.26Å; A138-T141 VanDerWaalsContact O-N 3.09Å; A138-T141 PolarHBondContact O-OG1 2.86Å
142	F	95.5	Very high	96.1	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.7	-177.4	-53	-66.7	0	0	0	114.1	L118 L127 L137 G140 Y144 T145 L148 L151 L153 L165 F166 L169	L118-F142 HydrophobicContact CD1-CD1 3.91Å; L118-F142 HydrophobicContact CD1-CE1 4.16Å; L127-F142 HydrophobicContact CD2-CD1 4.39Å; L127-F142 HydrophobicContact CD2-CE1 3.92Å; L137-F142 HydrophobicContact CD1-CE2 4.11Å; L137-F142 HydrophobicContact CD1-CZ 3.94Å; G140-F142 PolarHBondContact O-N 3.3Å; F142-Y144 PolarHBondContact O-N 3.09Å; F142-Y144 VanDerWaalsContact O-N 3.11Å; F142-T145 PolarHBondContact O-N 2.9Å; F142-T145 VanDerWaalsContact O-N 3.13Å; F142-T145 PolarHBondContact O-OG1 3.29Å; F142-T145 VanDerWaalsContact O-OG1 3.09Å; F142-L148 HydrophobicContact CD1-CD1 4.12Å; F142-L151 HydrophobicContact CD2-CD2 4.47Å; F142-L151 HydrophobicContact CE1-CD1 3.93Å; F142-L151 HydrophobicContact CE1-CD2 3.97Å; F142-L151 HydrophobicContact CE2-CD2 3.93Å; F142-L151 HydrophobicContact CZ-CD1 4.11Å; F142-L151 HydrophobicContact CZ-CD2 3.65Å; F142-L153 HydrophobicContact CZ-CD1 4.49Å; F142-L165 HydrophobicContact CD2-CD1 4.44Å; F142-L165 HydrophobicContact CE2-CD1 4.25Å; F142-L165 HydrophobicContact CE2-CG 4.41Å; F142-F166 HydrophobicContact CD2-CD1 4.17Å; F142-F166 HydrophobicContact CD2-CE1 4.47Å; F142-F166 HydrophobicContact CE2-CD1 4.12Å; F142-F166 AromaticContact CE2-CE1 3.96Å; F142-F166 HydrophobicContact CE2-CE1 3.96Å; F142-L169 HydrophobicContact CB-CD1 3.97Å; F142-L169 HydrophobicContact CB-CD2 4.04Å; F142-L169 HydrophobicContact CB-CG 4.31Å; F142-L169 HydrophobicContact CD2-CD1 4.31Å; F142-L169 HydrophobicContact CG-CD1 4.18Å
143	A	93.8	Very high	96.1	Very high	64 Å²	64	36.7 Å²	36.7	53%	0.529	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.5	-178.7	0	0	0	0	0	113.4	G140	G140-A143 VanDerWaalsContact O-CB 3.32Å; G140-A143 WeakPolarHBondContact O-CB 3.18Å; G140-A143 PolarHBondContact O-N 3.39Å; G140-A143 VanDerWaalsContact O-N 3.13Å
144	Y	94	Very high	96.2	Very high	81 Å²	81	34 Å²	34	32%	0.318	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.5	-178.6	-53.9	-73.3	0	0	0	113.5	Q116 L118 L119 L121 F142 P146	Q116-Y144 HydrophobicContact CB-CE2 4.24Å; Q116-Y144 HydrophobicContact CG-CE2 4.07Å; L118-Y144 WeakPolarHBondContact O-CB 3.34Å; L119-Y144 HydrophobicContact CD1-CD1 3.53Å; L119-Y144 HydrophobicContact CD1-CE1 3.52Å; L119-Y144 HydrophobicContact CD1-CG 4.08Å; L121-Y144 CarbonylContact C-O 3.58Å; L121-Y144 VanDerWaalsContact C-O 3.29Å; F142-Y144 PolarHBondContact O-N 3.09Å; F142-Y144 VanDerWaalsContact O-N 3.11Å; Y144-P146 VanDerWaalsContact C-CD 3.41Å
145	T	96.4	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.225	C	C	.	.			trans	-129	58	-176.5	57.4	0	0	0	0	111.8	L118 L121 L124 F142 A147 L148 L169	L118-T145 HydrophobicContact CB-CG2 3.98Å; L118-T145 HydrophobicContact CD1-CG2 4.18Å; L121-T145 HydrophobicContact CB-CG2 3.79Å; L124-T145 HydrophobicContact CB-CG2 4.35Å; L124-T145 HydrophobicContact CD2-CG2 3.98Å; F142-T145 PolarHBondContact O-N 2.9Å; F142-T145 VanDerWaalsContact O-N 3.13Å; F142-T145 PolarHBondContact O-OG1 3.29Å; F142-T145 VanDerWaalsContact O-OG1 3.09Å; T145-A147 VanDerWaalsContact C-N 3.25Å; T145-A147 PolarHBondContact O-N 2.9Å; T145-L148 WeakPolarHBondContact O-CG 3.39Å; T145-L148 PolarHBondContact O-N 3.08Å; T145-L148 WeakPolarHBondContact OG1-CD1 3.24Å; T145-L169 VanDerWaalsContact O-CD2 3.28Å; T145-L169 WeakPolarHBondContact O-CD2 3.42Å
146	P	95.1	Very high	96.3	Very high	64 Å²	64	29.9 Å²	29.9	42%	0.416	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.4	-175.1	30.6	-37	0	0	0	113.9	Y144 L148 N171	Y144-P146 VanDerWaalsContact C-CD 3.41Å; P146-L148 VanDerWaalsContact C-N 3.28Å; P146-L148 PolarHBondContact O-N 3.26Å; P146-N171 PolarHBondContact O-ND2 3.14Å
147	A	97.3	Very high	96.5	Very high	26 Å²	26	32.7 Å²	32.7	22%	0.215	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.3	178.3	0	0	0	0	0	114.1	E122 L124 T145 A149	E122-A147 WeakPolarHBondContact O-CB 3.43Å; L124-A147 CarbonylContact O-C 3.47Å; L124-A147 VanDerWaalsContact O-C 3.23Å; T145-A147 VanDerWaalsContact C-N 3.25Å; T145-A147 PolarHBondContact O-N 2.9Å; A147-A149 PolarHBondContact O-N 3.02Å
148	L	98.2	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.197	C	C	.	.			trans	-56	125.8	-176.1	-79.9	173.3	0	0	0	111.5	L124 L127 F142 T145 P146 L169 N171 L172	L124-L148 HydrophobicContact CD2-CD2 4.02Å; L124-L148 HydrophobicContact CG-CD2 4.05Å; L124-L148 VanDerWaalsContact O-CA 3.29Å; L124-L148 WeakPolarHBondContact O-CA 3.18Å; L124-L148 WeakPolarHBondContact O-CD2 3.07Å; L124-L148 PolarHBondContact O-N 2.82Å; L124-L148 VanDerWaalsContact O-N 3.09Å; L127-L148 HydrophobicContact CB-CD2 3.75Å; F142-L148 HydrophobicContact CD1-CD1 4.12Å; T145-L148 WeakPolarHBondContact O-CG 3.39Å; T145-L148 PolarHBondContact O-N 3.08Å; T145-L148 WeakPolarHBondContact OG1-CD1 3.24Å; P146-L148 VanDerWaalsContact C-N 3.28Å; P146-L148 PolarHBondContact O-N 3.26Å; L148-L169 HydrophobicContact CB-CD2 4.29Å; L148-L169 HydrophobicContact CD1-CD1 4.41Å; L148-L169 HydrophobicContact CD1-CD2 4.13Å; L148-N171 CarbonylContact O-C 3.54Å; L148-N171 VanDerWaalsContact O-C 3.23Å; L148-L172 HydrophobicContact CB-CD1 4.01Å; L148-L172 WeakPolarHBondContact O-CA 3.48Å; L148-L172 PolarHBondContact O-N 3.32Å
149	A	98.4	Very high	96.8	Very high	18 Å²	18	33 Å²	33	15%	0.149	20%	0.199	C	C	.	.	S	Bend	trans	-104.7	-35.6	175.9	0	0	0	0	0	111	C125 A147 W173 D174	C125-A149 HydrophobicContact CB-CB 4.45Å; C125-A149 PolarHBondContact O-N 3.5Å; A147-A149 PolarHBondContact O-N 3.02Å; A149-W173 PolarHBondContact O-N 3.46Å; A149-W173 PolarHBondContact O-NE1 2.98Å; A149-D174 PolarHBondContact O-N 2.92Å
150	L	98.8	Very high	96.8	Very high	25 Å²	25	36.1 Å²	36.1	13%	0.131	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.2	179.5	-175.8	152.9	0	0	0	111.1	C125 L127 D174	C125-L150 PolarHBondContact O-N 3.25Å; L127-L150 PolarHBondContact N-O 3.02Å; L150-D174 WeakPolarHBondContact CA-O 3.03Å; L150-D174 HydrophobicContact CB-CB 4.4Å; L150-D174 HydrophobicContact CD1-CB 4.24Å; L150-D174 HydrophobicContact CG-CB 4.07Å
151	L	98.7	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	107.4	175.8	178.2	57.3	0	0	0	111.2	L127 F142 L153 F166 L172 D174 L175 N176	L127-L151 HydrophobicContact CB-CD1 4.08Å; L127-L151 HydrophobicContact CD2-CD1 3.91Å; L127-L151 HydrophobicContact CG-CD1 4Å; F142-L151 HydrophobicContact CD2-CD2 4.47Å; F142-L151 HydrophobicContact CE1-CD1 3.93Å; F142-L151 HydrophobicContact CE1-CD2 3.97Å; F142-L151 HydrophobicContact CE2-CD2 3.93Å; F142-L151 HydrophobicContact CZ-CD1 4.11Å; F142-L151 HydrophobicContact CZ-CD2 3.65Å; L151-L153 HydrophobicContact CD1-CD1 4.35Å; L151-L153 HydrophobicContact CD1-CG 4.17Å; L151-L153 HydrophobicContact CD2-CD1 3.97Å; L151-L153 HydrophobicContact CG-CD1 4Å; L151-L153 HydrophobicContact CG-CG 4.15Å; L151-F166 HydrophobicContact CD2-CD1 4.18Å; L151-F166 HydrophobicContact CD2-CE1 3.87Å; L151-L172 HydrophobicContact CB-CD1 3.82Å; L151-L172 HydrophobicContact CB-CD2 4.4Å; L151-D174 PolarHBondContact N-O 2.97Å; L151-L175 HydrophobicContact CB-CD1 4.07Å; L151-L175 HydrophobicContact CD2-CD1 3.91Å; L151-L175 HydrophobicContact CG-CD1 4Å; L151-N176 PolarHBondContact O-N 3.07Å
152	G	98.6	Very high	96.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112	177.7	0	0	0	0	0	112.5	L127 L129 E130	L127-G152 PolarHBondContact O-N 2.92Å; L129-G152 CarbonylContact C-O 3.11Å; L129-G152 WeakPolarHBondContact CA-O 3.42Å; L129-G152 WeakPolarHBondContact CB-O 3.36Å; L129-G152 PolarHBondContact N-O 2.98Å; E130-G152 PolarHBondContact N-O 3.48Å; E130-G152 WeakPolarHBondContact OE1-CA 3.46Å
153	L	98.5	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.			trans	-123.5	12.4	178.4	-74.3	167.5	0	0	0	112.7	L129 L134 L137 F142 L151 N156 L158 F166 N176 L177 N180	L129-L153 HydrophobicContact CB-CD2 3.94Å; L129-L153 HydrophobicContact CD1-CD2 3.82Å; L134-L153 HydrophobicContact CD1-CD2 4.09Å; L137-L153 HydrophobicContact CD1-CD1 3.78Å; L137-L153 HydrophobicContact CD1-CD2 3.86Å; F142-L153 HydrophobicContact CZ-CD1 4.49Å; L151-L153 HydrophobicContact CD1-CD1 4.35Å; L151-L153 HydrophobicContact CD1-CG 4.17Å; L151-L153 HydrophobicContact CD2-CD1 3.97Å; L151-L153 HydrophobicContact CG-CD1 4Å; L151-L153 HydrophobicContact CG-CG 4.15Å; L153-N156 PolarHBondContact O-ND2 3.25Å; L153-L158 HydrophobicContact CB-CD1 4.38Å; L153-F166 HydrophobicContact CD1-CE1 4.41Å; L153-N176 CarbonylContact C-O 3.59Å; L153-N176 VanDerWaalsContact CA-O 3.3Å; L153-N176 WeakPolarHBondContact CA-O 3.39Å; L153-N176 WeakPolarHBondContact CB-O 3.14Å; L153-N176 PolarHBondContact N-O 2.95Å; L153-L177 HydrophobicContact CB-CD2 3.93Å; L153-L177 HydrophobicContact CD1-CD2 3.77Å; L153-N180 PolarHBondContact O-ND2 3.07Å
154	S	98.6	Very high	96.6	Very high	13 Å²	13	39.1 Å²	39.1	9%	0.091	20%	0.201	C	C	.	.			trans	-66.6	157	-173.9	82.7	0	0	0	0	113	E130 R131 N156 N176 G178	E130-S154 CarbonylContact C-O 3.09Å; E130-S154 WeakPolarHBondContact CA-O 3.24Å; E130-S154 WeakPolarHBondContact CG-OG 3.43Å; R131-S154 PolarHBondContact N-O 3.28Å; S154-N156 VanDerWaalsContact C-N 3.31Å; S154-N156 PolarHBondContact O-N 3.45Å; S154-N156 PolarHBondContact O-ND2 3.5Å; S154-N176 VanDerWaalsContact CB-OD1 3.31Å; S154-N176 WeakPolarHBondContact CB-OD1 3.35Å; S154-N176 PolarHBondContact N-O 3.2Å; S154-G178 CarbonylContact C-O 3.6Å; S154-G178 WeakPolarHBondContact CA-O 2.98Å; S154-G178 WeakPolarHBondContact CB-O 3.05Å
155	N	98.4	Very high	96.7	Very high	67 Å²	67	35.5 Å²	35.5	36%	0.358	19%	0.187	S	C	.	.	S	Bend	trans	57.2	42.3	176.2	-62.9	-93.6	0	0	0	113.1	R131 N132 G178 W179	R131-N155 VanDerWaalsContact CA-O 3.27Å; R131-N155 WeakPolarHBondContact CA-O 3.41Å; R131-N155 HydrophobicContact CB-CB 4.39Å; R131-N155 HydrophobicContact CG-CB 3.77Å; R131-N155 PolarHBondContact N-O 2.74Å; N132-N155 PolarHBondContact N-O 2.72Å; N155-G178 PolarHBondContact N-O 3.17Å; N155-W179 VanDerWaalsContact CA-O 3.3Å; N155-W179 WeakPolarHBondContact CA-O 3.25Å; N155-W179 PolarHBondContact N-O 3.5Å
156	N	98.6	Very high	96.6	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.053	19%	0.188	C	C	.	.	S	Bend	trans	-109.7	-163.6	171.9	-86.5	-77.1	0	0	0	109.9	L129 N132 Q133 L134 L153 S154 L158 N180	L129-N156 PolarHBondContact O-ND2 3.21Å; N132-N156 WeakPolarHBondContact CA-OD1 3.04Å; N132-N156 WeakPolarHBondContact CB-OD1 3.28Å; N132-N156 PolarHBondContact N-OD1 2.97Å; N132-N156 PolarHBondContact O-OD1 3.29Å; Q133-N156 PolarHBondContact N-OD1 2.91Å; L134-N156 HydrophobicContact CB-CB 4.22Å; L134-N156 WeakPolarHBondContact CB-OD1 3.31Å; L134-N156 WeakPolarHBondContact CG-OD1 3.49Å; L134-N156 PolarHBondContact N-OD1 2.93Å; L153-N156 PolarHBondContact O-ND2 3.25Å; S154-N156 VanDerWaalsContact C-N 3.31Å; S154-N156 PolarHBondContact O-N 3.45Å; S154-N156 PolarHBondContact O-ND2 3.5Å; N156-L158 HydrophobicContact CB-CG 4.3Å; N156-N180 VanDerWaalsContact CA-OD1 3.28Å; N156-N180 WeakPolarHBondContact CA-OD1 3.37Å; N156-N180 WeakPolarHBondContact CB-OD1 3.37Å; N156-N180 PolarHBondContact N-OD1 3.47Å; N156-N180 PolarHBondContact O-OD1 3.2Å
157	R	97.8	Very high	96.5	Very high	119 Å²	119	38.5 Å²	38.5	45%	0.449	20%	0.196	S	C	.	.			trans	-117.9	27.3	178.7	-58.9	-176.6	-175	169.9	6.4	111.8	L134 R135 S159 N180	L134-R157 CarbonylContact O-C 3.04Å; L134-R157 VanDerWaalsContact O-CA 3.25Å; L134-R157 WeakPolarHBondContact O-CA 3.49Å; L134-R157 PolarHBondContact O-N 3.34Å; R135-R157 HydrophobicContact CG-CB 4.29Å; R157-S159 PolarHBondContact O-N 2.88Å; R157-N180 PolarHBondContact N-OD1 2.63Å
158	L	98.1	Very high	96.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.212	C	C	.	.			trans	-62.3	119	-178	-61.1	175.2	0	0	0	109.6	L134 R135 L137 L153 N156 L177 N180 S181 L182	L134-L158 HydrophobicContact CB-CD2 4.18Å; L134-L158 PolarHBondContact O-N 3.2Å; L134-L158 VanDerWaalsContact O-N 3.14Å; R135-L158 WeakPolarHBondContact O-CA 3.44Å; L137-L158 HydrophobicContact CG-CD2 4.32Å; L153-L158 HydrophobicContact CB-CD1 4.38Å; N156-L158 HydrophobicContact CB-CG 4.3Å; L158-L177 HydrophobicContact CD1-CD2 3.96Å; L158-N180 HydrophobicContact CB-CB 4.1Å; L158-N180 VanDerWaalsContact CB-OD1 3.32Å; L158-N180 WeakPolarHBondContact CB-OD1 3.46Å; L158-N180 WeakPolarHBondContact CG-OD1 3.02Å; L158-N180 PolarHBondContact N-OD1 3.26Å; L158-S181 CarbonylContact O-C 3.58Å; L158-S181 VanDerWaalsContact O-CA 3.32Å; L158-S181 WeakPolarHBondContact O-CA 3.09Å; L158-S181 PolarHBondContact O-N 3.11Å; L158-L182 HydrophobicContact CB-CD2 4.14Å; L158-L182 PolarHBondContact O-N 3.11Å
159	S	96.5	Very high	96	Very high	70 Å²	70	39.9 Å²	39.9	49%	0.49	21%	0.212	S	C	.	.			trans	-102.9	-17.7	-179.3	63.1	0	0	0	0	113.7	R135 R157	R135-S159 PolarHBondContact O-N 3.37Å; R157-S159 PolarHBondContact O-N 2.88Å
160	R	95.3	Very high	95.8	Very high	141 Å²	141	40.8 Å²	40.8	53%	0.532	22%	0.224	S	C	.	.			trans	-150	154.2	179.2	67.9	-177.6	-164.3	-179.4	8.9	110.6	E162	R160-E162 IonicContact CZ-OE1 2.95Å; R160-E162 IonicContact NE-OE1 2.72Å; R160-E162 IonicContact NH2-OE1 3.34Å; R160-E162 PolarHBondContact NH2-OE1 2.9Å
161	L	95.7	Very high	95.7	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.058	25%	0.246	C	C	.	.			trans	-113.1	145.5	163.9	-57.7	-177.2	0	0	0	108.5	L165 F166 L177 L182 L185 P186 F190	L161-L165 HydrophobicContact CD2-CD2 4.04Å; L161-F166 HydrophobicContact CD1-CE2 4.27Å; L161-L177 HydrophobicContact CD1-CD1 3.98Å; L161-L177 HydrophobicContact CD2-CD2 4.45Å; L161-L182 HydrophobicContact CD1-CD1 4.32Å; L161-L182 HydrophobicContact CD2-CD2 4.08Å; L161-L182 HydrophobicContact CG-CD1 4.32Å; L161-L182 HydrophobicContact CG-CD2 3.93Å; L161-L185 HydrophobicContact CD1-CD2 3.57Å; L161-L185 HydrophobicContact CG-CD2 4.13Å; L161-P186 VanDerWaalsContact O-CG 3.25Å; L161-P186 WeakPolarHBondContact O-CG 3.48Å; L161-F190 HydrophobicContact CD1-CE1 4.48Å
162	E	93	Very high	95.7	Very high	67 Å²	67	44.9 Å²	44.9	31%	0.313	25%	0.246	S	C	.	.			trans	-98.1	147	174.4	-63.9	-176.2	-174.5	0	0	109.5	V139 R160 G164 L165	V139-E162 HydrophobicContact CG2-CB 3.72Å; R160-E162 IonicContact CZ-OE1 2.95Å; R160-E162 IonicContact NE-OE1 2.72Å; R160-E162 IonicContact NH2-OE1 3.34Å; R160-E162 PolarHBondContact NH2-OE1 2.9Å; E162-G164 PolarHBondContact O-N 3.03Å; E162-L165 WeakPolarHBondContact O-CB 3.2Å; E162-L165 PolarHBondContact O-N 2.99Å
163	D	92.1	Very high	95.7	Very high	93 Å²	93	49.6 Å²	49.6	50%	0.497	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	136.2	175.7	-81.8	-38.3	0	0	0	110.5	V139 L165 P186 A188	V139-D163 WeakPolarHBondContact CG2-O 3.46Å; D163-L165 VanDerWaalsContact C-N 3.31Å; D163-L165 PolarHBondContact O-N 3.38Å; D163-P186 WeakPolarHBondContact OD1-CB 3.27Å; D163-A188 PolarHBondContact OD1-N 3.32Å
164	G	90.7	Very high	95.7	Very high	14 Å²	14	50.6 Å²	50.6	14%	0.144	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	6.7	-179.9	0	0	0	0	0	115.1	E162 F166 E167	E162-G164 PolarHBondContact O-N 3.03Å; G164-F166 PolarHBondContact O-N 3.16Å; G164-F166 VanDerWaalsContact O-N 3.17Å; G164-E167 WeakPolarHBondContact O-CB 3.47Å; G164-E167 PolarHBondContact O-N 2.82Å; G164-E167 VanDerWaalsContact O-N 3.11Å
165	L	95.3	Very high	95.7	Very high	5 Å²	5	50 Å²	50	3%	0.026	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-37	178.3	176.7	61.2	0	0	0	113.2	L137 A138 F142 L161 E162 D163	L137-L165 HydrophobicContact CB-CD1 3.8Å; L137-L165 HydrophobicContact CB-CD2 4.16Å; L137-L165 HydrophobicContact CD1-CD2 4.47Å; A138-L165 WeakPolarHBondContact O-CD1 3.35Å; F142-L165 HydrophobicContact CD2-CD1 4.44Å; F142-L165 HydrophobicContact CE2-CD1 4.25Å; F142-L165 HydrophobicContact CE2-CG 4.41Å; L161-L165 HydrophobicContact CD2-CD2 4.04Å; E162-L165 WeakPolarHBondContact O-CB 3.2Å; E162-L165 PolarHBondContact O-N 2.99Å; D163-L165 VanDerWaalsContact C-N 3.31Å; D163-L165 PolarHBondContact O-N 3.38Å
166	F	95.8	Very high	95.7	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	15.3	-178.4	-52.4	-64.8	0	0	0	113.6	F142 L151 L153 L161 G164 G168 L169 L175 L177 A189 F190 L193	F142-F166 HydrophobicContact CD2-CD1 4.17Å; F142-F166 HydrophobicContact CD2-CE1 4.47Å; F142-F166 HydrophobicContact CE2-CD1 4.12Å; F142-F166 AromaticContact CE2-CE1 3.96Å; F142-F166 HydrophobicContact CE2-CE1 3.96Å; L151-F166 HydrophobicContact CD2-CD1 4.18Å; L151-F166 HydrophobicContact CD2-CE1 3.87Å; L153-F166 HydrophobicContact CD1-CE1 4.41Å; L161-F166 HydrophobicContact CD1-CE2 4.27Å; G164-F166 PolarHBondContact O-N 3.16Å; G164-F166 VanDerWaalsContact O-N 3.17Å; F166-G168 PolarHBondContact O-N 2.85Å; F166-L169 HydrophobicContact CB-CD1 4.19Å; F166-L169 HydrophobicContact CD1-CD1 4.1Å; F166-L169 WeakPolarHBondContact O-CB 3.39Å; F166-L169 PolarHBondContact O-N 3.32Å; F166-L175 HydrophobicContact CD2-CD2 4.27Å; F166-L175 HydrophobicContact CE1-CD1 4.16Å; F166-L175 HydrophobicContact CE1-CD2 4.37Å; F166-L175 HydrophobicContact CE2-CD2 3.99Å; F166-L175 HydrophobicContact CZ-CD1 4.27Å; F166-L175 HydrophobicContact CZ-CD2 4.05Å; F166-L177 HydrophobicContact CE2-CD1 4.35Å; F166-L177 HydrophobicContact CZ-CD1 4.19Å; F166-L177 HydrophobicContact CZ-CD2 4.38Å; F166-A189 WeakPolarHBondContact CD2-O 3.41Å; F166-F190 HydrophobicContact CD2-CD1 4.39Å; F166-F190 HydrophobicContact CE2-CD1 4.39Å; F166-F190 HydrophobicContact CE2-CE1 4.41Å; F166-L193 HydrophobicContact CB-CD1 4.1Å; F166-L193 HydrophobicContact CB-CD2 3.87Å; F166-L193 HydrophobicContact CB-CG 4.07Å; F166-L193 HydrophobicContact CD2-CD1 4.25Å; F166-L193 HydrophobicContact CG-CD1 4.31Å
167	E	92.4	Very high	95.7	Very high	127 Å²	127	48.2 Å²	48.2	59%	0.593	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	136	179.7	-169.6	166.1	-171.5	0	0	110.8	G164	G164-E167 WeakPolarHBondContact O-CB 3.47Å; G164-E167 PolarHBondContact O-N 2.82Å; G164-E167 VanDerWaalsContact O-N 3.11Å
168	G	89.5	Confident	95.8	Very high	54 Å²	54	42.6 Å²	42.6	56%	0.557	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-10.1	-176	0	0	0	0	0	115.4	F166 G170	F166-G168 PolarHBondContact O-N 2.85Å; G168-G170 PolarHBondContact O-N 3.49Å
169	L	95.9	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.			trans	-84.2	52.7	179.4	-58.4	-173.4	0	0	0	113.2	F142 T145 L148 F166 N171 L172 L193	F142-L169 HydrophobicContact CB-CD1 3.97Å; F142-L169 HydrophobicContact CB-CD2 4.04Å; F142-L169 HydrophobicContact CB-CG 4.31Å; F142-L169 HydrophobicContact CD2-CD1 4.31Å; F142-L169 HydrophobicContact CG-CD1 4.18Å; T145-L169 VanDerWaalsContact O-CD2 3.28Å; T145-L169 WeakPolarHBondContact O-CD2 3.42Å; L148-L169 HydrophobicContact CB-CD2 4.29Å; L148-L169 HydrophobicContact CD1-CD1 4.41Å; L148-L169 HydrophobicContact CD1-CD2 4.13Å; F166-L169 HydrophobicContact CB-CD1 4.19Å; F166-L169 HydrophobicContact CD1-CD1 4.1Å; F166-L169 WeakPolarHBondContact O-CB 3.39Å; F166-L169 PolarHBondContact O-N 3.32Å; L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.14Å; L169-L172 HydrophobicContact CB-CB 4.14Å; L169-L172 HydrophobicContact CD1-CD2 4.37Å; L169-L172 WeakPolarHBondContact O-CB 3.41Å; L169-L172 PolarHBondContact O-N 2.98Å; L169-L193 HydrophobicContact CB-CD2 3.78Å; L169-L193 WeakPolarHBondContact O-CD2 3.44Å
170	G	94.3	Very high	95.9	Very high	37 Å²	37	45.9 Å²	45.9	38%	0.381	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.2	-175.3	0	0	0	0	0	115	G168 G195	G168-G170 PolarHBondContact O-N 3.49Å; G170-G195 PolarHBondContact O-N 2.77Å
171	N	96.3	Very high	96	Very high	112 Å²	112	41 Å²	41	60%	0.599	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.2	179.1	-67.2	-33.1	0	0	0	113.6	P146 L148 L169 W173	P146-N171 PolarHBondContact O-ND2 3.14Å; L148-N171 CarbonylContact O-C 3.54Å; L148-N171 VanDerWaalsContact O-C 3.23Å; L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.14Å; N171-W173 PolarHBondContact O-N 3.05Å
172	L	98.2	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.			trans	-67.9	120.6	-175.7	-165.8	76.5	0	0	0	109.3	L148 L151 L169 L175 L193 G195 L196	L148-L172 HydrophobicContact CB-CD1 4.01Å; L148-L172 WeakPolarHBondContact O-CA 3.48Å; L148-L172 PolarHBondContact O-N 3.32Å; L151-L172 HydrophobicContact CB-CD1 3.82Å; L151-L172 HydrophobicContact CB-CD2 4.4Å; L169-L172 HydrophobicContact CB-CB 4.14Å; L169-L172 HydrophobicContact CD1-CD2 4.37Å; L169-L172 WeakPolarHBondContact O-CB 3.41Å; L169-L172 PolarHBondContact O-N 2.98Å; L172-L175 HydrophobicContact CD2-CB 3.94Å; L172-L175 HydrophobicContact CD2-CD1 4.35Å; L172-L175 HydrophobicContact CD2-CD2 4.46Å; L172-L175 HydrophobicContact CD2-CG 4.48Å; L172-L193 HydrophobicContact CB-CD2 4.1Å; L172-L193 HydrophobicContact CD2-CD2 3.72Å; L172-G195 CarbonylContact O-C 3.57Å; L172-L196 HydrophobicContact CD2-CD1 4.2Å; L172-L196 HydrophobicContact CG-CD1 4.22Å; L172-L196 VanDerWaalsContact O-CA 3.22Å; L172-L196 WeakPolarHBondContact O-CA 3.32Å; L172-L196 PolarHBondContact O-N 3.04Å; L172-L196 VanDerWaalsContact O-N 3.16Å
173	W	98.4	Very high	96.3	Very high	99 Å²	99	39.3 Å²	39.3	38%	0.375	22%	0.223	S	C	.	.			trans	-108.3	-24.1	177.9	74.5	-91.8	0	0	0	112.5	A149 N171 R197 E198	A149-W173 PolarHBondContact O-N 3.46Å; A149-W173 PolarHBondContact O-NE1 2.98Å; N171-W173 PolarHBondContact O-N 3.05Å; W173-R197 HydrophobicContact CB-CB 4.44Å; W173-R197 HydrophobicContact CB-CG 4.27Å; W173-R197 HydrophobicContact CE3-CB 4.4Å; W173-R197 WeakPolarHBondContact O-CA 3.48Å; W173-R197 PolarHBondContact O-N 3.03Å; W173-E198 PolarHBondContact O-N 2.95Å
174	D	98.8	Very high	96.5	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.112	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.1	177	-176.9	-13.4	0	0	0	111	A149 L150 L151	A149-D174 PolarHBondContact O-N 2.92Å; L150-D174 WeakPolarHBondContact CA-O 3.03Å; L150-D174 HydrophobicContact CB-CB 4.4Å; L150-D174 HydrophobicContact CD1-CB 4.24Å; L150-D174 HydrophobicContact CG-CB 4.07Å; L151-D174 PolarHBondContact N-O 2.97Å
175	L	98.8	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.2	172.1	177	58.3	0	0	0	110.6	L151 F166 L172 L177 F190 L193 L196 E198 L199 V200	L151-L175 HydrophobicContact CB-CD1 4.07Å; L151-L175 HydrophobicContact CD2-CD1 3.91Å; L151-L175 HydrophobicContact CG-CD1 4Å; F166-L175 HydrophobicContact CD2-CD2 4.27Å; F166-L175 HydrophobicContact CE1-CD1 4.16Å; F166-L175 HydrophobicContact CE1-CD2 4.37Å; F166-L175 HydrophobicContact CE2-CD2 3.99Å; F166-L175 HydrophobicContact CZ-CD1 4.27Å; F166-L175 HydrophobicContact CZ-CD2 4.05Å; L172-L175 HydrophobicContact CD2-CB 3.94Å; L172-L175 HydrophobicContact CD2-CD1 4.35Å; L172-L175 HydrophobicContact CD2-CD2 4.46Å; L172-L175 HydrophobicContact CD2-CG 4.48Å; L175-L177 HydrophobicContact CD1-CD1 4.42Å; L175-L177 HydrophobicContact CD1-CG 4.17Å; L175-L177 HydrophobicContact CD2-CD1 4Å; L175-L177 HydrophobicContact CG-CD1 4.12Å; L175-L177 HydrophobicContact CG-CG 4.2Å; L175-F190 HydrophobicContact CD2-CD1 4.21Å; L175-F190 HydrophobicContact CD2-CE1 4.2Å; L175-L193 HydrophobicContact CD2-CD1 3.75Å; L175-L196 HydrophobicContact CB-CD1 3.8Å; L175-E198 PolarHBondContact N-O 2.79Å; L175-E198 VanDerWaalsContact N-O 3.08Å; L175-L199 HydrophobicContact CB-CD1 4.15Å; L175-L199 HydrophobicContact CD2-CD1 3.95Å; L175-L199 HydrophobicContact CG-CD1 4.02Å; L175-V200 PolarHBondContact O-N 3.35Å
176	N	98.8	Very high	96.6	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.219	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	106.6	178.5	-167.5	-23.5	0	0	0	112.5	L151 L153 S154 G178 V200	L151-N176 PolarHBondContact O-N 3.07Å; L153-N176 CarbonylContact C-O 3.59Å; L153-N176 VanDerWaalsContact CA-O 3.3Å; L153-N176 WeakPolarHBondContact CA-O 3.39Å; L153-N176 WeakPolarHBondContact CB-O 3.14Å; L153-N176 PolarHBondContact N-O 2.95Å; S154-N176 VanDerWaalsContact CB-OD1 3.31Å; S154-N176 WeakPolarHBondContact CB-OD1 3.35Å; S154-N176 PolarHBondContact N-O 3.2Å; N176-G178 PolarHBondContact OD1-N 2.87Å; N176-V200 HydrophobicContact CB-CB 4.31Å
177	L	98.7	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.			trans	-108.9	15.6	176.3	-71.6	164.1	0	0	0	112.2	L153 L158 L161 F166 L175 N180 L182 F190 V200 L201 N204	L153-L177 HydrophobicContact CB-CD2 3.93Å; L153-L177 HydrophobicContact CD1-CD2 3.77Å; L158-L177 HydrophobicContact CD1-CD2 3.96Å; L161-L177 HydrophobicContact CD1-CD1 3.98Å; L161-L177 HydrophobicContact CD2-CD2 4.45Å; F166-L177 HydrophobicContact CE2-CD1 4.35Å; F166-L177 HydrophobicContact CZ-CD1 4.19Å; F166-L177 HydrophobicContact CZ-CD2 4.38Å; L175-L177 HydrophobicContact CD1-CD1 4.42Å; L175-L177 HydrophobicContact CD1-CG 4.17Å; L175-L177 HydrophobicContact CD2-CD1 4Å; L175-L177 HydrophobicContact CG-CD1 4.12Å; L175-L177 HydrophobicContact CG-CG 4.2Å; L177-N180 PolarHBondContact O-ND2 3.23Å; L177-L182 HydrophobicContact CB-CD1 4.4Å; L177-F190 HydrophobicContact CD1-CE1 3.96Å; L177-V200 CarbonylContact C-O 3.07Å; L177-V200 WeakPolarHBondContact CA-O 3.32Å; L177-V200 PolarHBondContact N-O 3.02Å; L177-L201 HydrophobicContact CB-CD2 3.93Å; L177-L201 HydrophobicContact CD1-CD2 4.05Å; L177-N204 PolarHBondContact O-ND2 3.32Å
178	G	98.7	Very high	96.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.			trans	-64.1	156.4	-174.7	0	0	0	0	0	114	S154 N155 N176 N180 V200 A202	S154-G178 CarbonylContact C-O 3.6Å; S154-G178 WeakPolarHBondContact CA-O 2.98Å; S154-G178 WeakPolarHBondContact CB-O 3.05Å; N155-G178 PolarHBondContact N-O 3.17Å; N176-G178 PolarHBondContact OD1-N 2.87Å; G178-N180 VanDerWaalsContact C-N 3.31Å; G178-N180 PolarHBondContact O-N 3.11Å; G178-N180 PolarHBondContact O-ND2 3.03Å; G178-V200 PolarHBondContact N-O 2.92Å; G178-A202 CarbonylContact C-O 3.53Å; G178-A202 WeakPolarHBondContact CA-O 3.33Å
179	W	98.7	Very high	96.7	Very high	132 Å²	132	36.2 Å²	36.2	50%	0.5	20%	0.202	S	C	.	.	S	Bend	trans	53.8	45.6	175.7	-57.4	96.4	0	0	0	113.3	N155 A202 G203	N155-W179 VanDerWaalsContact CA-O 3.3Å; N155-W179 WeakPolarHBondContact CA-O 3.25Å; N155-W179 PolarHBondContact N-O 3.5Å; W179-A202 PolarHBondContact N-O 2.96Å; W179-G203 WeakPolarHBondContact CA-O 3.18Å
180	N	98.7	Very high	96.7	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-109.6	-160.7	171.9	-84.9	-75.3	0	0	0	109.8	L153 N156 R157 L158 L177 G178 L182 N204	L153-N180 PolarHBondContact O-ND2 3.07Å; N156-N180 VanDerWaalsContact CA-OD1 3.28Å; N156-N180 WeakPolarHBondContact CA-OD1 3.37Å; N156-N180 WeakPolarHBondContact CB-OD1 3.37Å; N156-N180 PolarHBondContact N-OD1 3.47Å; N156-N180 PolarHBondContact O-OD1 3.2Å; R157-N180 PolarHBondContact N-OD1 2.63Å; L158-N180 HydrophobicContact CB-CB 4.1Å; L158-N180 VanDerWaalsContact CB-OD1 3.32Å; L158-N180 WeakPolarHBondContact CB-OD1 3.46Å; L158-N180 WeakPolarHBondContact CG-OD1 3.02Å; L158-N180 PolarHBondContact N-OD1 3.26Å; L177-N180 PolarHBondContact O-ND2 3.23Å; G178-N180 VanDerWaalsContact C-N 3.31Å; G178-N180 PolarHBondContact O-N 3.11Å; G178-N180 PolarHBondContact O-ND2 3.03Å; N180-L182 HydrophobicContact CB-CG 4.28Å; N180-N204 WeakPolarHBondContact CA-OD1 3.46Å; N180-N204 WeakPolarHBondContact CB-OD1 3.33Å; N180-N204 PolarHBondContact N-OD1 3.27Å; N180-N204 PolarHBondContact O-OD1 3.33Å
181	S	97.9	Very high	96.6	Very high	37 Å²	37	42.3 Å²	42.3	26%	0.259	21%	0.213	S	C	.	.			trans	-120.6	29.1	178.3	-68.2	0	0	0	0	112.5	L158 A183 N204	L158-S181 CarbonylContact O-C 3.58Å; L158-S181 VanDerWaalsContact O-CA 3.32Å; L158-S181 WeakPolarHBondContact O-CA 3.09Å; L158-S181 PolarHBondContact O-N 3.11Å; S181-A183 PolarHBondContact O-N 3.26Å; S181-N204 PolarHBondContact N-OD1 3.09Å
182	L	98.1	Very high	96.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.			trans	-68.1	119.1	-178.1	-59.3	172.7	0	0	0	110.2	L158 L161 L177 N180 L185 L201 N204 R205 L206	L158-L182 HydrophobicContact CB-CD2 4.14Å; L158-L182 PolarHBondContact O-N 3.11Å; L161-L182 HydrophobicContact CD1-CD1 4.32Å; L161-L182 HydrophobicContact CD2-CD2 4.08Å; L161-L182 HydrophobicContact CG-CD1 4.32Å; L161-L182 HydrophobicContact CG-CD2 3.93Å; L177-L182 HydrophobicContact CB-CD1 4.4Å; N180-L182 HydrophobicContact CB-CG 4.28Å; L182-L185 HydrophobicContact CD1-CD2 4.24Å; L182-L201 HydrophobicContact CD1-CD2 4.37Å; L182-N204 HydrophobicContact CB-CB 4.2Å; L182-N204 WeakPolarHBondContact CB-OD1 3.2Å; L182-N204 WeakPolarHBondContact CG-OD1 3.4Å; L182-N204 PolarHBondContact N-OD1 3.15Å; L182-R205 CarbonylContact O-C 3.21Å; L182-R205 VanDerWaalsContact O-C 3.29Å; L182-R205 VanDerWaalsContact O-CA 3.32Å; L182-R205 WeakPolarHBondContact O-CA 3.32Å; L182-R205 PolarHBondContact O-N 2.89Å; L182-L206 HydrophobicContact CB-CD2 4.26Å; L182-L206 PolarHBondContact O-N 3.02Å
183	A	96.6	Very high	96.1	Very high	44 Å²	44	38.9 Å²	38.9	36%	0.364	20%	0.204	S	C	.	.			trans	-102.7	-31.8	178.9	0	0	0	0	0	113	S181 R205	S181-A183 PolarHBondContact O-N 3.26Å; A183-R205 HydrophobicContact CB-CB 4.34Å
184	V	94.9	Very high	95.9	Very high	70 Å²	70	36 Å²	36	42%	0.424	21%	0.205	S	C	.	.			trans	-138.5	138.7	-179.2	-179.5	0	0	0	0	108.4	Y208	V184-Y208 VanDerWaalsContact CG1-OH 3.3Å; V184-Y208 WeakPolarHBondContact CG1-OH 3.39Å; V184-Y208 HydrophobicContact CG2-CE1 4.34Å; V184-Y208 WeakPolarHBondContact CG2-OH 3.3Å
185	L	95.9	Very high	95.8	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.068	21%	0.212	C	C	.	.			trans	-111.5	132	172.3	-64.2	170	0	0	0	108.7	L161 L182 F190 L201 L206 L213	L161-L185 HydrophobicContact CD1-CD2 3.57Å; L161-L185 HydrophobicContact CG-CD2 4.13Å; L182-L185 HydrophobicContact CD1-CD2 4.24Å; L185-F190 HydrophobicContact CD1-CE2 4.2Å; L185-F190 HydrophobicContact CD1-CZ 4.22Å; L185-L201 HydrophobicContact CD1-CD1 4.01Å; L185-L201 HydrophobicContact CD1-CD2 4.36Å; L185-L206 HydrophobicContact CD1-CD1 3.86Å; L185-L206 HydrophobicContact CD1-CD2 3.89Å; L185-L206 HydrophobicContact CD2-CD2 4.49Å; L185-L206 HydrophobicContact CG-CD2 3.73Å; L185-L213 HydrophobicContact CB-CD1 3.75Å; L185-L213 HydrophobicContact CB-CD2 4.27Å; L185-L213 HydrophobicContact CD1-CD1 4.33Å; L185-L213 HydrophobicContact CD1-CD2 3.85Å
186	P	94.1	Very high	95.8	Very high	32 Å²	32	36.2 Å²	36.2	21%	0.208	21%	0.212	C	C	.	.			trans	-59.2	153.4	168.7	-24.6	33.7	0	0	0	112.9	L161 D163 A188 A189 L213	L161-P186 VanDerWaalsContact O-CG 3.25Å; L161-P186 WeakPolarHBondContact O-CG 3.48Å; D163-P186 WeakPolarHBondContact OD1-CB 3.27Å; P186-A188 PolarHBondContact O-N 3.34Å; P186-A189 HydrophobicContact CB-CB 4.33Å; P186-A189 VanDerWaalsContact O-CB 3.3Å; P186-A189 WeakPolarHBondContact O-CB 3.38Å; P186-A189 PolarHBondContact O-N 2.72Å; P186-L213 WeakPolarHBondContact O-CD1 3.26Å
187	D	91.4	Very high	95.8	Very high	91 Å²	91	39.6 Å²	39.6	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.9	-177.8	-72.7	-6.8	0	0	0	113.1	Q210 A212 L213	D187-Q210 WeakPolarHBondContact OD1-CB 3.47Å; D187-Q210 WeakPolarHBondContact OD1-CG 3.23Å; D187-A212 HydrophobicContact CB-CB 4.32Å; D187-L213 WeakPolarHBondContact O-CA 3.47Å
188	A	92.3	Very high	95.8	Very high	22 Å²	22	42.1 Å²	42.1	18%	0.182	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	20.8	-179.9	0	0	0	0	0	112.9	D163 P186 F190 R191	D163-A188 PolarHBondContact OD1-N 3.32Å; P186-A188 PolarHBondContact O-N 3.34Å; A188-F190 PolarHBondContact O-N 3.15Å; A188-F190 VanDerWaalsContact O-N 3.11Å; A188-R191 HydrophobicContact CB-CB 4.3Å; A188-R191 WeakPolarHBondContact O-CB 3.23Å; A188-R191 PolarHBondContact O-N 2.04Å; A188-R191 VanDerWaalsContact O-N 3.08Å
189	A	94.8	Very high	95.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.8	-176.5	0	0	0	0	0	113.7	F166 P186 L213	F166-A189 WeakPolarHBondContact CD2-O 3.41Å; P186-A189 HydrophobicContact CB-CB 4.33Å; P186-A189 VanDerWaalsContact O-CB 3.3Å; P186-A189 WeakPolarHBondContact O-CB 3.38Å; P186-A189 PolarHBondContact O-N 2.72Å; A189-L213 HydrophobicContact CB-CD1 4.2Å
190	F	95.5	Very high	95.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	16.3	-177.4	-54.5	-59.3	0	0	0	113.6	L161 F166 L175 L177 L185 A188 G192 L193 L199 L201 L213 F214 L217	L161-F190 HydrophobicContact CD1-CE1 4.48Å; F166-F190 HydrophobicContact CD2-CD1 4.39Å; F166-F190 HydrophobicContact CE2-CD1 4.39Å; F166-F190 HydrophobicContact CE2-CE1 4.41Å; L175-F190 HydrophobicContact CD2-CD1 4.21Å; L175-F190 HydrophobicContact CD2-CE1 4.2Å; L177-F190 HydrophobicContact CD1-CE1 3.96Å; L185-F190 HydrophobicContact CD1-CE2 4.2Å; L185-F190 HydrophobicContact CD1-CZ 4.22Å; A188-F190 PolarHBondContact O-N 3.15Å; A188-F190 VanDerWaalsContact O-N 3.11Å; F190-G192 PolarHBondContact O-N 2.98Å; F190-L193 HydrophobicContact CB-CD1 4.08Å; F190-L193 HydrophobicContact CD1-CD1 4.03Å; F190-L193 WeakPolarHBondContact O-CB 3.38Å; F190-L193 PolarHBondContact O-N 2.88Å; F190-L199 HydrophobicContact CD1-CD2 4.49Å; F190-L199 HydrophobicContact CD2-CD2 4.21Å; F190-L199 HydrophobicContact CE1-CD1 3.98Å; F190-L199 HydrophobicContact CE1-CD2 4.25Å; F190-L199 HydrophobicContact CE2-CD2 3.94Å; F190-L199 HydrophobicContact CG-CD2 4.48Å; F190-L199 HydrophobicContact CZ-CD1 4.25Å; F190-L199 HydrophobicContact CZ-CD2 3.97Å; F190-L201 HydrophobicContact CE2-CD1 4.27Å; F190-L201 HydrophobicContact CZ-CD1 3.99Å; F190-L201 HydrophobicContact CZ-CD2 4.16Å; F190-L213 HydrophobicContact CD2-CD1 3.91Å; F190-L213 HydrophobicContact CD2-CG 4.22Å; F190-L213 HydrophobicContact CE2-CD1 3.8Å; F190-L213 HydrophobicContact CE2-CG 4.1Å; F190-F214 HydrophobicContact CD2-CD1 4.46Å; F190-F214 HydrophobicContact CE2-CE1 4.34Å; F190-L217 HydrophobicContact CB-CD1 4.17Å; F190-L217 HydrophobicContact CB-CD2 4.17Å
191	R	92.1	Very high	95.8	Very high	163 Å²	163	36.2 Å²	36.2	62%	0.615	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	137.6	176.8	-179.3	-178.8	-72.5	-176.8	-0.4	110.3	A188	A188-R191 HydrophobicContact CB-CB 4.3Å; A188-R191 WeakPolarHBondContact O-CB 3.23Å; A188-R191 PolarHBondContact O-N 2.04Å; A188-R191 VanDerWaalsContact O-N 3.08Å
192	G	90.1	Very high	95.8	Very high	39 Å²	39	34.7 Å²	34.7	40%	0.402	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-11.7	179.5	0	0	0	0	0	114.4	F190 G194	F190-G192 PolarHBondContact O-N 2.98Å; G192-G194 PolarHBondContact O-N 3.2Å
193	L	95.9	Very high	95.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.208	C	C	.	.			trans	-85.7	49.4	-179.8	-60.7	-176.6	0	0	0	113	F166 L169 L172 L175 F190 G195 L196 L217	F166-L193 HydrophobicContact CB-CD1 4.1Å; F166-L193 HydrophobicContact CB-CD2 3.87Å; F166-L193 HydrophobicContact CB-CG 4.07Å; F166-L193 HydrophobicContact CD2-CD1 4.25Å; F166-L193 HydrophobicContact CG-CD1 4.31Å; L169-L193 HydrophobicContact CB-CD2 3.78Å; L169-L193 WeakPolarHBondContact O-CD2 3.44Å; L172-L193 HydrophobicContact CB-CD2 4.1Å; L172-L193 HydrophobicContact CD2-CD2 3.72Å; L175-L193 HydrophobicContact CD2-CD1 3.75Å; F190-L193 HydrophobicContact CB-CD1 4.08Å; F190-L193 HydrophobicContact CD1-CD1 4.03Å; F190-L193 WeakPolarHBondContact O-CB 3.38Å; F190-L193 PolarHBondContact O-N 2.88Å; L193-G195 VanDerWaalsContact C-N 3.25Å; L193-G195 PolarHBondContact O-N 2.75Å; L193-L196 HydrophobicContact CB-CB 4.08Å; L193-L196 HydrophobicContact CB-CD2 4.33Å; L193-L196 HydrophobicContact CD1-CD2 4.05Å; L193-L196 VanDerWaalsContact O-CB 3.3Å; L193-L196 WeakPolarHBondContact O-CB 3.17Å; L193-L196 PolarHBondContact O-N 3.38Å; L193-L217 HydrophobicContact CB-CD2 3.82Å; L193-L217 WeakPolarHBondContact O-CD2 3.39Å
194	G	93.8	Very high	96	Very high	39 Å²	39	33.7 Å²	33.7	40%	0.402	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.1	-175	0	0	0	0	0	114.7	G192 E219	G192-G194 PolarHBondContact O-N 3.2Å; G194-E219 WeakPolarHBondContact O-CG 3.04Å
195	G	96.1	Very high	96.1	Very high	24 Å²	24	38 Å²	38	25%	0.247	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.1	176.8	0	0	0	0	0	115.2	G170 L172 L193 R197	G170-G195 PolarHBondContact O-N 2.77Å; L172-G195 CarbonylContact O-C 3.57Å; L193-G195 VanDerWaalsContact C-N 3.25Å; L193-G195 PolarHBondContact O-N 2.75Å; G195-R197 PolarHBondContact O-N 3.09Å
196	L	98.3	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.			trans	-66.4	130.2	-170.7	-161.5	71.1	0	0	0	111.7	L172 L175 L193 L199 L217 E219 L220	L172-L196 HydrophobicContact CD2-CD1 4.2Å; L172-L196 HydrophobicContact CG-CD1 4.22Å; L172-L196 VanDerWaalsContact O-CA 3.22Å; L172-L196 WeakPolarHBondContact O-CA 3.32Å; L172-L196 PolarHBondContact O-N 3.04Å; L172-L196 VanDerWaalsContact O-N 3.16Å; L175-L196 HydrophobicContact CB-CD1 3.8Å; L193-L196 HydrophobicContact CB-CB 4.08Å; L193-L196 HydrophobicContact CB-CD2 4.33Å; L193-L196 HydrophobicContact CD1-CD2 4.05Å; L193-L196 VanDerWaalsContact O-CB 3.3Å; L193-L196 WeakPolarHBondContact O-CB 3.17Å; L193-L196 PolarHBondContact O-N 3.38Å; L196-L199 HydrophobicContact CD2-CB 3.94Å; L196-L199 HydrophobicContact CD2-CD1 4.35Å; L196-L199 HydrophobicContact CD2-CD2 4.43Å; L196-L199 HydrophobicContact CD2-CG 4.45Å; L196-L217 HydrophobicContact CB-CD2 4.32Å; L196-L217 HydrophobicContact CD2-CD1 4.5Å; L196-L217 HydrophobicContact CD2-CD2 4.23Å; L196-E219 CarbonylContact O-C 3.4Å; L196-L220 HydrophobicContact CB-CD1 4.45Å; L196-L220 HydrophobicContact CD2-CD1 4.07Å; L196-L220 HydrophobicContact CG-CD1 4.03Å; L196-L220 VanDerWaalsContact O-CA 3.22Å; L196-L220 WeakPolarHBondContact O-CA 3.45Å; L196-L220 PolarHBondContact O-N 3.18Å
197	R	98.8	Very high	96.4	Very high	112 Å²	112	37.8 Å²	37.8	42%	0.423	21%	0.205	S	C	.	.			trans	-114.8	-33	-179.5	-64.2	-179.8	-176.3	176.7	3.2	112.1	W173 G195 R221 E222	W173-R197 HydrophobicContact CB-CB 4.44Å; W173-R197 HydrophobicContact CB-CG 4.27Å; W173-R197 HydrophobicContact CE3-CB 4.4Å; W173-R197 WeakPolarHBondContact O-CA 3.48Å; W173-R197 PolarHBondContact O-N 3.03Å; G195-R197 PolarHBondContact O-N 3.09Å; R197-R221 WeakPolarHBondContact O-CA 3.46Å; R197-R221 PolarHBondContact O-N 3.04Å; R197-E222 PolarHBondContact O-N 2.99Å
198	E	98.9	Very high	96.5	Very high	54 Å²	54	38.4 Å²	38.4	25%	0.252	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.8	179.9	-177.5	167	169.9	0	0	110.2	W173 L175 V200 E222	W173-E198 PolarHBondContact O-N 2.95Å; L175-E198 PolarHBondContact N-O 2.79Å; L175-E198 VanDerWaalsContact N-O 3.08Å; E198-V200 HydrophobicContact CG-CG2 4.18Å; E198-E222 HydrophobicContact CG-CB 4.38Å
199	L	98.8	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	115.8	174.5	177.3	59.9	0	0	0	109.9	L175 F190 L196 L201 F214 L217 L220 E222 L223 D224	L175-L199 HydrophobicContact CB-CD1 4.15Å; L175-L199 HydrophobicContact CD2-CD1 3.95Å; L175-L199 HydrophobicContact CG-CD1 4.02Å; F190-L199 HydrophobicContact CD1-CD2 4.49Å; F190-L199 HydrophobicContact CD2-CD2 4.21Å; F190-L199 HydrophobicContact CE1-CD1 3.98Å; F190-L199 HydrophobicContact CE1-CD2 4.25Å; F190-L199 HydrophobicContact CE2-CD2 3.94Å; F190-L199 HydrophobicContact CG-CD2 4.48Å; F190-L199 HydrophobicContact CZ-CD1 4.25Å; F190-L199 HydrophobicContact CZ-CD2 3.97Å; L196-L199 HydrophobicContact CD2-CB 3.94Å; L196-L199 HydrophobicContact CD2-CD1 4.35Å; L196-L199 HydrophobicContact CD2-CD2 4.43Å; L196-L199 HydrophobicContact CD2-CG 4.45Å; L199-L201 HydrophobicContact CD1-CG 4.31Å; L199-L201 HydrophobicContact CD2-CD1 4.08Å; L199-L201 HydrophobicContact CG-CD1 4.24Å; L199-L201 HydrophobicContact CG-CG 4.25Å; L199-F214 HydrophobicContact CD2-CE1 4.21Å; L199-L217 HydrophobicContact CD2-CD1 4.35Å; L199-L220 HydrophobicContact CB-CD1 3.85Å; L199-E222 PolarHBondContact N-O 3.32Å; L199-L223 HydrophobicContact CB-CD1 4.12Å; L199-L223 HydrophobicContact CD2-CD1 3.92Å; L199-L223 HydrophobicContact CG-CD1 4.05Å; L199-D224 PolarHBondContact O-N 3.39Å
200	V	98.9	Very high	96.4	Very high	17 Å²	17	41.2 Å²	41.2	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.3	178.8	-177.1	0	0	0	0	110.1	L175 N176 L177 G178 E198 A202 D224	L175-V200 PolarHBondContact O-N 3.35Å; N176-V200 HydrophobicContact CB-CB 4.31Å; L177-V200 CarbonylContact C-O 3.07Å; L177-V200 WeakPolarHBondContact CA-O 3.32Å; L177-V200 PolarHBondContact N-O 3.02Å; G178-V200 PolarHBondContact N-O 2.92Å; E198-V200 HydrophobicContact CG-CG2 4.18Å; V200-A202 HydrophobicContact CG1-CB 4.01Å; V200-D224 HydrophobicContact CG1-CB 4.29Å; V200-D224 HydrophobicContact CG2-CB 4.47Å
201	L	98.8	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.			trans	-117.6	11.6	174.5	-71.1	166.3	0	0	0	111.9	L177 L182 L185 F190 L199 N204 L206 D224 L225 N228	L177-L201 HydrophobicContact CB-CD2 3.93Å; L177-L201 HydrophobicContact CD1-CD2 4.05Å; L182-L201 HydrophobicContact CD1-CD2 4.37Å; L185-L201 HydrophobicContact CD1-CD1 4.01Å; L185-L201 HydrophobicContact CD1-CD2 4.36Å; F190-L201 HydrophobicContact CE2-CD1 4.27Å; F190-L201 HydrophobicContact CZ-CD1 3.99Å; F190-L201 HydrophobicContact CZ-CD2 4.16Å; L199-L201 HydrophobicContact CD1-CG 4.31Å; L199-L201 HydrophobicContact CD2-CD1 4.08Å; L199-L201 HydrophobicContact CG-CD1 4.24Å; L199-L201 HydrophobicContact CG-CG 4.25Å; L201-N204 PolarHBondContact O-ND2 3.21Å; L201-L206 HydrophobicContact CB-CD1 4.27Å; L201-L206 HydrophobicContact CD1-CD1 4.39Å; L201-D224 CarbonylContact C-O 3.22Å; L201-D224 WeakPolarHBondContact CA-O 3.35Å; L201-D224 PolarHBondContact N-O 3.48Å; L201-L225 HydrophobicContact CB-CD2 3.97Å; L201-L225 HydrophobicContact CD1-CD2 3.85Å; L201-N228 PolarHBondContact O-ND2 3.02Å
202	A	98.8	Very high	95.9	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	147	-178	0	0	0	0	0	113	G178 W179 V200 N204 D224 S226	G178-A202 CarbonylContact C-O 3.53Å; G178-A202 WeakPolarHBondContact CA-O 3.33Å; W179-A202 PolarHBondContact N-O 2.96Å; V200-A202 HydrophobicContact CG1-CB 4.01Å; A202-N204 VanDerWaalsContact C-N 3.31Å; A202-N204 PolarHBondContact O-N 3.18Å; A202-D224 PolarHBondContact N-O 2.95Å; A202-S226 CarbonylContact C-O 3.26Å; A202-S226 WeakPolarHBondContact CA-O 3.29Å; A202-S226 WeakPolarHBondContact CB-OG 3.26Å
203	G	98.6	Very high	96.1	Very high	14 Å²	14	36.9 Å²	36.9	14%	0.144	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	26.8	171.3	0	0	0	0	0	114.8	W179 S226 R227	W179-G203 WeakPolarHBondContact CA-O 3.18Å; G203-S226 PolarHBondContact N-O 3.06Å; G203-R227 VanDerWaalsContact CA-O 3.24Å; G203-R227 WeakPolarHBondContact CA-O 3.31Å; G203-R227 PolarHBondContact N-O 3.29Å
204	N	98.8	Very high	96	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	20%	0.201	C	C	.	.	S	Bend	trans	-99.3	-163.8	172.4	-82.6	-72.7	0	0	0	110.8	L177 N180 S181 L182 L201 A202 L206 N228	L177-N204 PolarHBondContact O-ND2 3.32Å; N180-N204 WeakPolarHBondContact CA-OD1 3.46Å; N180-N204 WeakPolarHBondContact CB-OD1 3.33Å; N180-N204 PolarHBondContact N-OD1 3.27Å; N180-N204 PolarHBondContact O-OD1 3.33Å; S181-N204 PolarHBondContact N-OD1 3.09Å; L182-N204 HydrophobicContact CB-CB 4.2Å; L182-N204 WeakPolarHBondContact CB-OD1 3.2Å; L182-N204 WeakPolarHBondContact CG-OD1 3.4Å; L182-N204 PolarHBondContact N-OD1 3.15Å; L201-N204 PolarHBondContact O-ND2 3.21Å; A202-N204 VanDerWaalsContact C-N 3.31Å; A202-N204 PolarHBondContact O-N 3.18Å; N204-L206 HydrophobicContact CB-CG 4.22Å; N204-N228 VanDerWaalsContact CA-OD1 3.3Å; N204-N228 WeakPolarHBondContact CA-OD1 3.46Å; N204-N228 WeakPolarHBondContact CB-OD1 3.36Å; N204-N228 PolarHBondContact N-OD1 3.39Å; N204-N228 PolarHBondContact O-OD1 2.97Å
205	R	98.2	Very high	95.9	Very high	159 Å²	159	38.7 Å²	38.7	60%	0.6	21%	0.207	S	C	*	.			trans	-118.7	26.1	-178.5	-57.6	-178.6	-173.1	-178	2.6	112.2	L182 A183 A207 N228	L182-R205 CarbonylContact O-C 3.21Å; L182-R205 VanDerWaalsContact O-C 3.29Å; L182-R205 VanDerWaalsContact O-CA 3.32Å; L182-R205 WeakPolarHBondContact O-CA 3.32Å; L182-R205 PolarHBondContact O-N 2.89Å; A183-R205 HydrophobicContact CB-CB 4.34Å; R205-A207 PolarHBondContact O-N 2.87Å; R205-N228 PolarHBondContact N-OD1 3.36Å
206	L	98.1	Very high	95.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.22	C	C	.	.			trans	-65.4	122.8	-175.2	-58.1	175.6	0	0	0	110.2	L182 L185 L201 N204 L225 N228 A229 L230	L182-L206 HydrophobicContact CB-CD2 4.26Å; L182-L206 PolarHBondContact O-N 3.02Å; L185-L206 HydrophobicContact CD1-CD1 3.86Å; L185-L206 HydrophobicContact CD1-CD2 3.89Å; L185-L206 HydrophobicContact CD2-CD2 4.49Å; L185-L206 HydrophobicContact CG-CD2 3.73Å; L201-L206 HydrophobicContact CB-CD1 4.27Å; L201-L206 HydrophobicContact CD1-CD1 4.39Å; N204-L206 HydrophobicContact CB-CG 4.22Å; L206-L225 HydrophobicContact CD1-CD2 4.08Å; L206-N228 HydrophobicContact CB-CB 4.25Å; L206-N228 WeakPolarHBondContact CB-OD1 3.31Å; L206-N228 VanDerWaalsContact CG-OD1 3.3Å; L206-N228 WeakPolarHBondContact CG-OD1 3.35Å; L206-N228 PolarHBondContact N-OD1 2.86Å; L206-A229 CarbonylContact O-C 3.12Å; L206-A229 VanDerWaalsContact O-CA 3.26Å; L206-A229 WeakPolarHBondContact O-CA 3.44Å; L206-A229 PolarHBondContact O-N 3.01Å; L206-L230 HydrophobicContact CB-CD2 4.26Å; L206-L230 PolarHBondContact O-N 2.86Å; L206-L230 VanDerWaalsContact O-N 3.07Å
207	A	96.6	Very high	95.4	Very high	40 Å²	40	39.9 Å²	39.9	33%	0.331	22%	0.22	S	C	.	.			trans	-100.8	-23.6	-178.2	0	0	0	0	0	113.7	R205	R205-A207 PolarHBondContact O-N 2.87Å
208	Y	94.4	Very high	95.1	Very high	105 Å²	105	36.7 Å²	36.7	41%	0.412	22%	0.217	S	C	.	.			trans	-150.4	158.3	178.9	59.6	-91.7	0	0	0	110.7	V184 Q210	V184-Y208 VanDerWaalsContact CG1-OH 3.3Å; V184-Y208 WeakPolarHBondContact CG1-OH 3.39Å; V184-Y208 HydrophobicContact CG2-CE1 4.34Å; V184-Y208 WeakPolarHBondContact CG2-OH 3.3Å; Y208-Q210 HydrophobicContact CD2-CG 4.42Å; Y208-Q210 HydrophobicContact CE2-CG 4.38Å
209	L	94.5	Very high	95.1	Very high	15 Å²	15	36.6 Å²	36.6	8%	0.079	22%	0.217	C	C	.	.			trans	-122.6	140.5	172.9	-58	172	0	0	0	108.7	L213 F214 L225 L230 V237 F238	L209-L213 HydrophobicContact CD2-CD2 3.86Å; L209-F214 HydrophobicContact CD1-CE2 4.32Å; L209-F214 HydrophobicContact CD2-CZ 4.46Å; L209-L225 HydrophobicContact CD1-CD1 3.7Å; L209-L225 HydrophobicContact CD1-CD2 4.45Å; L209-L225 HydrophobicContact CD2-CD2 4.27Å; L209-L230 HydrophobicContact CD1-CD1 4.05Å; L209-L230 HydrophobicContact CD1-CD2 4.3Å; L209-L230 HydrophobicContact CD2-CD2 4.27Å; L209-L230 HydrophobicContact CG-CD1 4.48Å; L209-L230 HydrophobicContact CG-CD2 3.83Å; L209-V237 HydrophobicContact CB-CG1 3.77Å; L209-V237 HydrophobicContact CD1-CG1 4.08Å; L209-F238 HydrophobicContact CD1-CE1 4.36Å; L209-F238 HydrophobicContact CD1-CZ 4.35Å
210	Q	90.2	Very high	95.1	Very high	66 Å²	66	36.6 Å²	36.6	31%	0.308	22%	0.217	S	C	.	.			trans	-95.1	143.6	175	-61.1	-67.6	2.3	0	0	109.6	D187 Y208 A212 L213	D187-Q210 WeakPolarHBondContact OD1-CB 3.47Å; D187-Q210 WeakPolarHBondContact OD1-CG 3.23Å; Y208-Q210 HydrophobicContact CD2-CG 4.42Å; Y208-Q210 HydrophobicContact CE2-CG 4.38Å; Q210-A212 PolarHBondContact O-N 2.81Å; Q210-L213 VanDerWaalsContact O-CB 3.26Å; Q210-L213 WeakPolarHBondContact O-CB 3.4Å; Q210-L213 PolarHBondContact O-N 2.6Å; Q210-L213 VanDerWaalsContact O-N 3.14Å
211	P	86.3	Confident	95	Very high	60 Å²	60	40.4 Å²	40.4	39%	0.39	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.2	179.1	-26.1	35.1	0	0	0	114.9	L213 V237	P211-L213 VanDerWaalsContact C-N 3.35Å; P211-V237 HydrophobicContact CG-CG2 4.48Å
212	A	91.3	Very high	95.1	Very high	48 Å²	48	42.4 Å²	42.4	40%	0.397	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-18.4	-179.7	0	0	0	0	0	113.9	D187 Q210 F214 S215	D187-A212 HydrophobicContact CB-CB 4.32Å; Q210-A212 PolarHBondContact O-N 2.81Å; A212-F214 PolarHBondContact O-N 3.06Å; A212-F214 VanDerWaalsContact O-N 3.11Å; A212-S215 WeakPolarHBondContact O-CB 3.38Å; A212-S215 PolarHBondContact O-N 3Å
213	L	93.6	Very high	95.1	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.5	-170.2	177.8	62.6	0	0	0	113.7	L185 P186 D187 A189 F190 L209 Q210 P211	L185-L213 HydrophobicContact CB-CD1 3.75Å; L185-L213 HydrophobicContact CB-CD2 4.27Å; L185-L213 HydrophobicContact CD1-CD1 4.33Å; L185-L213 HydrophobicContact CD1-CD2 3.85Å; P186-L213 WeakPolarHBondContact O-CD1 3.26Å; D187-L213 WeakPolarHBondContact O-CA 3.47Å; A189-L213 HydrophobicContact CB-CD1 4.2Å; F190-L213 HydrophobicContact CD2-CD1 3.91Å; F190-L213 HydrophobicContact CD2-CG 4.22Å; F190-L213 HydrophobicContact CE2-CD1 3.8Å; F190-L213 HydrophobicContact CE2-CG 4.1Å; L209-L213 HydrophobicContact CD2-CD2 3.86Å; Q210-L213 VanDerWaalsContact O-CB 3.26Å; Q210-L213 WeakPolarHBondContact O-CB 3.4Å; Q210-L213 PolarHBondContact O-N 2.6Å; Q210-L213 VanDerWaalsContact O-N 3.14Å; P211-L213 VanDerWaalsContact C-N 3.35Å
214	F	93.8	Very high	95.1	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	14	-177	-54.3	-61.8	0	0	0	113.2	F190 L199 L209 A212 G216 L217 L223 L225 V237 F238 L241	F190-F214 HydrophobicContact CD2-CD1 4.46Å; F190-F214 HydrophobicContact CE2-CE1 4.34Å; L199-F214 HydrophobicContact CD2-CE1 4.21Å; L209-F214 HydrophobicContact CD1-CE2 4.32Å; L209-F214 HydrophobicContact CD2-CZ 4.46Å; A212-F214 PolarHBondContact O-N 3.06Å; A212-F214 VanDerWaalsContact O-N 3.11Å; F214-G216 PolarHBondContact O-N 2.95Å; F214-L217 HydrophobicContact CB-CD1 4.23Å; F214-L217 HydrophobicContact CD1-CD1 3.92Å; F214-L217 PolarHBondContact O-N 2.89Å; F214-L223 HydrophobicContact CE1-CD1 4.19Å; F214-L223 HydrophobicContact CE1-CD2 4.07Å; F214-L223 HydrophobicContact CE2-CD2 4.22Å; F214-L223 HydrophobicContact CZ-CD1 4.47Å; F214-L223 HydrophobicContact CZ-CD2 3.86Å; F214-L225 HydrophobicContact CZ-CD1 4.43Å; F214-V237 HydrophobicContact CD2-CG1 4.48Å; F214-V237 HydrophobicContact CE2-CG1 4.16Å; F214-F238 HydrophobicContact CD2-CD1 4.42Å; F214-F238 HydrophobicContact CE2-CD1 4.24Å; F214-F238 HydrophobicContact CE2-CE1 4.08Å; F214-L241 HydrophobicContact CB-CD1 4.3Å; F214-L241 HydrophobicContact CB-CD2 3.96Å; F214-L241 HydrophobicContact CB-CG 4.24Å; F214-L241 HydrophobicContact CD2-CD1 4.42Å; F214-L241 HydrophobicContact CG-CD1 4.33Å
215	S	91.4	Very high	95.1	Very high	76 Å²	76	42.7 Å²	42.7	53%	0.531	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	129.3	177.1	-169.3	0	0	0	0	110.6	A212	A212-S215 WeakPolarHBondContact O-CB 3.38Å; A212-S215 PolarHBondContact O-N 3Å
216	G	89.3	Confident	95.1	Very high	50 Å²	50	35.5 Å²	35.5	52%	0.515	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-7.2	-179.3	0	0	0	0	0	115.3	F214 A218	F214-G216 PolarHBondContact O-N 2.95Å; G216-A218 PolarHBondContact O-N 2.69Å; G216-A218 VanDerWaalsContact O-N 3.08Å
217	L	95.1	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.			trans	-86.4	51	178.2	-54.7	-175.3	0	0	0	112.4	F190 L193 L196 L199 F214 E219 L220 L241	F190-L217 HydrophobicContact CB-CD1 4.17Å; F190-L217 HydrophobicContact CB-CD2 4.17Å; L193-L217 HydrophobicContact CB-CD2 3.82Å; L193-L217 WeakPolarHBondContact O-CD2 3.39Å; L196-L217 HydrophobicContact CB-CD2 4.32Å; L196-L217 HydrophobicContact CD2-CD1 4.5Å; L196-L217 HydrophobicContact CD2-CD2 4.23Å; L199-L217 HydrophobicContact CD2-CD1 4.35Å; F214-L217 HydrophobicContact CB-CD1 4.23Å; F214-L217 HydrophobicContact CD1-CD1 3.92Å; F214-L217 PolarHBondContact O-N 2.89Å; L217-E219 PolarHBondContact O-N 2.89Å; L217-L220 HydrophobicContact CB-CB 4.18Å; L217-L220 HydrophobicContact CD1-CD2 4.32Å; L217-L220 WeakPolarHBondContact O-CB 3.24Å; L217-L220 PolarHBondContact O-N 2.99Å; L217-L241 HydrophobicContact CB-CD2 3.89Å; L217-L241 WeakPolarHBondContact O-CD2 3.41Å
218	A	93.8	Very high	95.2	Very high	45 Å²	45	39.1 Å²	39.1	37%	0.372	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.9	-172	0	0	0	0	0	114.1	G216	G216-A218 PolarHBondContact O-N 2.69Å; G216-A218 VanDerWaalsContact O-N 3.08Å
219	E	97.5	Very high	95.4	Very high	51 Å²	51	35.5 Å²	35.5	24%	0.238	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.2	-179.8	-65.4	-57.3	143.7	0	0	114	G194 L196 L217 R221 R243	G194-E219 WeakPolarHBondContact O-CG 3.04Å; L196-E219 CarbonylContact O-C 3.4Å; L217-E219 PolarHBondContact O-N 2.89Å; E219-R221 WeakPolarHBondContact O-CG 3.41Å; E219-R221 PolarHBondContact O-N 3.01Å; E219-R243 IonicContact OE1-CZ 3.94Å; E219-R243 IonicContact OE1-NH1 2.74Å; E219-R243 PolarHBondContact OE1-NH1 3.36Å; E219-R243 IonicContact OE1-NH2 3.14Å; E219-R243 IonicContact OE2-CZ 3.96Å; E219-R243 IonicContact OE2-NH1 3.36Å; E219-R243 PolarHBondContact OE2-NH1 3.46Å
220	L	98.3	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.			trans	-63.6	128.1	-174	-163.5	73.4	0	0	0	110.7	L196 L199 L217 L223 L241 R243 L244	L196-L220 HydrophobicContact CB-CD1 4.45Å; L196-L220 HydrophobicContact CD2-CD1 4.07Å; L196-L220 HydrophobicContact CG-CD1 4.03Å; L196-L220 VanDerWaalsContact O-CA 3.22Å; L196-L220 WeakPolarHBondContact O-CA 3.45Å; L196-L220 PolarHBondContact O-N 3.18Å; L199-L220 HydrophobicContact CB-CD1 3.85Å; L217-L220 HydrophobicContact CB-CB 4.18Å; L217-L220 HydrophobicContact CD1-CD2 4.32Å; L217-L220 WeakPolarHBondContact O-CB 3.24Å; L217-L220 PolarHBondContact O-N 2.99Å; L220-L223 HydrophobicContact CD2-CB 4.06Å; L220-L223 HydrophobicContact CD2-CD1 4.47Å; L220-L223 HydrophobicContact CD2-CD2 4.47Å; L220-L241 HydrophobicContact CB-CD2 4.06Å; L220-L241 HydrophobicContact CD2-CD1 4.24Å; L220-L241 HydrophobicContact CD2-CD2 3.86Å; L220-R243 CarbonylContact O-C 3.51Å; L220-L244 HydrophobicContact CD2-CD1 4.14Å; L220-L244 HydrophobicContact CG-CD1 4.17Å; L220-L244 VanDerWaalsContact O-CA 3.26Å; L220-L244 WeakPolarHBondContact O-CA 3.46Å; L220-L244 PolarHBondContact O-N 3.49Å; L220-L244 VanDerWaalsContact O-N 3.09Å
221	R	98.8	Very high	95.9	Very high	97 Å²	97	40.3 Å²	40.3	37%	0.366	22%	0.223	S	C	.	.			trans	-111.9	-32.8	-178.8	-60.4	-176	-175.7	179.7	-0.8	111.9	R197 E219 Q245 K246	R197-R221 WeakPolarHBondContact O-CA 3.46Å; R197-R221 PolarHBondContact O-N 3.04Å; E219-R221 WeakPolarHBondContact O-CG 3.41Å; E219-R221 PolarHBondContact O-N 3.01Å; R221-Q245 WeakPolarHBondContact O-CA 3.29Å; R221-Q245 PolarHBondContact O-N 3.43Å; R221-K246 PolarHBondContact O-N 2.93Å
222	E	98.9	Very high	96.4	Very high	43 Å²	43	39.8 Å²	39.8	20%	0.201	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.6	-175.9	-171	151.6	-178.7	0	0	109.9	R197 E198 L199 K246 Y248	R197-E222 PolarHBondContact O-N 2.99Å; E198-E222 HydrophobicContact CG-CB 4.38Å; L199-E222 PolarHBondContact N-O 3.32Å; E222-K246 VanDerWaalsContact CD-CD 3.42Å; E222-K246 HydrophobicContact CG-CB 4.17Å; E222-K246 HydrophobicContact CG-CD 4.07Å; E222-K246 IonicContact OE1-NZ 2.61Å; E222-K246 PolarHBondContact OE1-NZ 3.35Å; E222-K246 WeakPolarHBondContact OE2-CD 3.43Å; E222-K246 IonicContact OE2-NZ 3.39Å; E222-K246 PolarHBondContact OE2-NZ 3.39Å; E222-Y248 HydrophobicContact CG-CE2 4.11Å; E222-Y248 WeakPolarHBondContact OE1-CE2 3.47Å
223	L	98.8	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.1	176.5	177.5	57.3	0	0	0	109	L199 F214 L220 L225 F238 L241 L244 K246 L247 Y248	L199-L223 HydrophobicContact CB-CD1 4.12Å; L199-L223 HydrophobicContact CD2-CD1 3.92Å; L199-L223 HydrophobicContact CG-CD1 4.05Å; F214-L223 HydrophobicContact CE1-CD1 4.19Å; F214-L223 HydrophobicContact CE1-CD2 4.07Å; F214-L223 HydrophobicContact CE2-CD2 4.22Å; F214-L223 HydrophobicContact CZ-CD1 4.47Å; F214-L223 HydrophobicContact CZ-CD2 3.86Å; L220-L223 HydrophobicContact CD2-CB 4.06Å; L220-L223 HydrophobicContact CD2-CD1 4.47Å; L220-L223 HydrophobicContact CD2-CD2 4.47Å; L223-L225 HydrophobicContact CD1-CD1 4.37Å; L223-L225 HydrophobicContact CD1-CG 4.14Å; L223-L225 HydrophobicContact CD2-CD1 3.83Å; L223-L225 HydrophobicContact CD2-CG 4.47Å; L223-L225 HydrophobicContact CG-CD1 3.94Å; L223-L225 HydrophobicContact CG-CG 4.08Å; L223-F238 HydrophobicContact CD2-CD1 4.27Å; L223-F238 HydrophobicContact CD2-CE1 4.03Å; L223-L241 HydrophobicContact CD2-CD1 4.09Å; L223-L244 HydrophobicContact CB-CD1 3.83Å; L223-K246 PolarHBondContact N-O 3.11Å; L223-K246 VanDerWaalsContact N-O 3.08Å; L223-L247 HydrophobicContact CB-CD1 4.15Å; L223-L247 HydrophobicContact CD2-CD1 4.01Å; L223-L247 HydrophobicContact CG-CD1 4.08Å; L223-Y248 PolarHBondContact O-N 3.37Å
224	D	98.9	Very high	96.5	Very high	33 Å²	33	42.8 Å²	42.8	18%	0.176	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110	176.5	-172.6	-6.1	0	0	0	111	L199 V200 L201 A202 S226 Y248	L199-D224 PolarHBondContact O-N 3.39Å; V200-D224 HydrophobicContact CG1-CB 4.29Å; V200-D224 HydrophobicContact CG2-CB 4.47Å; L201-D224 CarbonylContact C-O 3.22Å; L201-D224 WeakPolarHBondContact CA-O 3.35Å; L201-D224 PolarHBondContact N-O 3.48Å; A202-D224 PolarHBondContact N-O 2.95Å; D224-S226 WeakPolarHBondContact OD1-CB 3.28Å; D224-S226 PolarHBondContact OD1-N 3.07Å; D224-S226 PolarHBondContact OD1-OG 3.25Å; D224-Y248 HydrophobicContact CB-CD2 4.21Å
225	L	98.8	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.			trans	-114.7	15.5	175.5	-71.7	161.7	0	0	0	111.3	L201 L206 L209 F214 L223 N228 L230 F238 L247 Y248 L249 N252	L201-L225 HydrophobicContact CB-CD2 3.97Å; L201-L225 HydrophobicContact CD1-CD2 3.85Å; L206-L225 HydrophobicContact CD1-CD2 4.08Å; L209-L225 HydrophobicContact CD1-CD1 3.7Å; L209-L225 HydrophobicContact CD1-CD2 4.45Å; L209-L225 HydrophobicContact CD2-CD2 4.27Å; F214-L225 HydrophobicContact CZ-CD1 4.43Å; L223-L225 HydrophobicContact CD1-CD1 4.37Å; L223-L225 HydrophobicContact CD1-CG 4.14Å; L223-L225 HydrophobicContact CD2-CD1 3.83Å; L223-L225 HydrophobicContact CD2-CG 4.47Å; L223-L225 HydrophobicContact CG-CD1 3.94Å; L223-L225 HydrophobicContact CG-CG 4.08Å; L225-N228 PolarHBondContact O-ND2 3.23Å; L225-N228 VanDerWaalsContact O-ND2 3.1Å; L225-L230 HydrophobicContact CB-CD1 4.32Å; L225-F238 HydrophobicContact CD1-CE1 4.09Å; L225-F238 HydrophobicContact CD1-CZ 4.37Å; L225-L247 HydrophobicContact CD1-CD1 4.43Å; L225-Y248 CarbonylContact C-O 3.13Å; L225-Y248 WeakPolarHBondContact CA-O 3.08Å; L225-Y248 WeakPolarHBondContact CB-O 3.34Å; L225-Y248 PolarHBondContact N-O 3.08Å; L225-L249 HydrophobicContact CB-CD2 3.85Å; L225-L249 HydrophobicContact CD1-CD2 3.94Å; L225-N252 PolarHBondContact O-ND2 3.12Å
226	S	98.9	Very high	96.2	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.063	24%	0.243	C	C	.	.			trans	-59.4	156.9	-178.4	67.3	0	0	0	0	112	A202 G203 D224 N228 Y248 D250	A202-S226 CarbonylContact C-O 3.26Å; A202-S226 WeakPolarHBondContact CA-O 3.29Å; A202-S226 WeakPolarHBondContact CB-OG 3.26Å; G203-S226 PolarHBondContact N-O 3.06Å; D224-S226 WeakPolarHBondContact OD1-CB 3.28Å; D224-S226 PolarHBondContact OD1-N 3.07Å; D224-S226 PolarHBondContact OD1-OG 3.25Å; S226-N228 VanDerWaalsContact C-N 3.27Å; S226-N228 PolarHBondContact O-N 2.67Å; S226-N228 PolarHBondContact O-ND2 2.03Å; S226-N228 VanDerWaalsContact O-ND2 3.12Å; S226-Y248 PolarHBondContact N-O 3.13Å; S226-D250 CarbonylContact C-O 3.55Å; S226-D250 VanDerWaalsContact CA-O 3.23Å; S226-D250 WeakPolarHBondContact CA-O 3.46Å; S226-D250 WeakPolarHBondContact CB-OD1 3.29Å
227	R	98.8	Very high	96.4	Very high	105 Å²	105	43.4 Å²	43.4	40%	0.396	22%	0.22	S	C	.	.	S	Bend	trans	54.4	41	173.7	-59.4	175.2	176.6	-95.9	3.8	113.6	G203 D250 R251	G203-R227 VanDerWaalsContact CA-O 3.24Å; G203-R227 WeakPolarHBondContact CA-O 3.31Å; G203-R227 PolarHBondContact N-O 3.29Å; R227-D250 PolarHBondContact N-O 2.86Å; R227-R251 VanDerWaalsContact CA-O 3.29Å; R227-R251 WeakPolarHBondContact CA-O 3.45Å; R227-R251 HydrophobicContact CB-CB 4.48Å; R227-R251 HydrophobicContact CG-CB 3.74Å; R227-R251 HydrophobicContact CG-CG 4.35Å
228	N	98.8	Very high	96.4	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.064	22%	0.22	C	C	.	.	S	Bend	trans	-108.5	-165.3	172.3	-86.8	-80.3	0	0	0	110.4	L201 N204 R205 L206 L225 S226 L230 N252	L201-N228 PolarHBondContact O-ND2 3.02Å; N204-N228 VanDerWaalsContact CA-OD1 3.3Å; N204-N228 WeakPolarHBondContact CA-OD1 3.46Å; N204-N228 WeakPolarHBondContact CB-OD1 3.36Å; N204-N228 PolarHBondContact N-OD1 3.39Å; N204-N228 PolarHBondContact O-OD1 2.97Å; R205-N228 PolarHBondContact N-OD1 3.36Å; L206-N228 HydrophobicContact CB-CB 4.25Å; L206-N228 WeakPolarHBondContact CB-OD1 3.31Å; L206-N228 VanDerWaalsContact CG-OD1 3.3Å; L206-N228 WeakPolarHBondContact CG-OD1 3.35Å; L206-N228 PolarHBondContact N-OD1 2.86Å; L225-N228 PolarHBondContact O-ND2 3.23Å; L225-N228 VanDerWaalsContact O-ND2 3.1Å; S226-N228 VanDerWaalsContact C-N 3.27Å; S226-N228 PolarHBondContact O-N 2.67Å; S226-N228 PolarHBondContact O-ND2 2.03Å; S226-N228 VanDerWaalsContact O-ND2 3.12Å; N228-L230 HydrophobicContact CB-CG 4.33Å; N228-N252 VanDerWaalsContact CA-OD1 3.23Å; N228-N252 WeakPolarHBondContact CA-OD1 3.24Å; N228-N252 WeakPolarHBondContact CB-OD1 3.08Å; N228-N252 PolarHBondContact N-OD1 2.63Å; N228-N252 PolarHBondContact O-OD1 3.44Å
229	A	98.3	Very high	96.3	Very high	29 Å²	29	43 Å²	43	24%	0.24	22%	0.216	C	C	.	.			trans	-113.8	24.2	179.7	0	0	0	0	0	112.8	L206 R231 N252 L253	L206-A229 CarbonylContact O-C 3.12Å; L206-A229 VanDerWaalsContact O-CA 3.26Å; L206-A229 WeakPolarHBondContact O-CA 3.44Å; L206-A229 PolarHBondContact O-N 3.01Å; A229-R231 PolarHBondContact O-N 3.05Å; A229-N252 PolarHBondContact N-OD1 2.88Å; A229-L253 HydrophobicContact CB-CD1 4.31Å
230	L	98.3	Very high	96	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	23%	0.23	C	C	.	.			trans	-63.1	128	-175.5	-62	174.9	0	0	0	110.2	L206 L209 L225 N228 L249 N252 L253 I254	L206-L230 HydrophobicContact CB-CD2 4.26Å; L206-L230 PolarHBondContact O-N 2.86Å; L206-L230 VanDerWaalsContact O-N 3.07Å; L209-L230 HydrophobicContact CD1-CD1 4.05Å; L209-L230 HydrophobicContact CD1-CD2 4.3Å; L209-L230 HydrophobicContact CD2-CD2 4.27Å; L209-L230 HydrophobicContact CG-CD1 4.48Å; L209-L230 HydrophobicContact CG-CD2 3.83Å; L225-L230 HydrophobicContact CB-CD1 4.32Å; N228-L230 HydrophobicContact CB-CG 4.33Å; L230-L249 HydrophobicContact CD1-CD2 3.82Å; L230-N252 HydrophobicContact CB-CB 4.21Å; L230-N252 VanDerWaalsContact CB-OD1 3.31Å; L230-N252 WeakPolarHBondContact CB-OD1 3.45Å; L230-N252 WeakPolarHBondContact CG-OD1 3.26Å; L230-N252 PolarHBondContact N-OD1 3.49Å; L230-L253 CarbonylContact O-C 3Å; L230-L253 WeakPolarHBondContact O-CA 3.29Å; L230-L253 WeakPolarHBondContact O-CB 3.25Å; L230-L253 PolarHBondContact O-N 2.8Å; L230-I254 HydrophobicContact CB-CD1 4.44Å; L230-I254 HydrophobicContact CB-CG1 4.08Å; L230-I254 WeakPolarHBondContact O-CG1 3.32Å; L230-I254 PolarHBondContact O-N 2.78Å
231	R	97	Very high	95.8	Very high	176 Å²	176	46.1 Å²	46.1	66%	0.664	23%	0.23	S	C	*	.			trans	-98.5	-24.7	-176.5	-65.1	-177.7	178.1	-127.6	1.6	114.3	A229 L253 I254 A255	A229-R231 PolarHBondContact O-N 3.05Å; R231-L253 HydrophobicContact CG-CB 4.36Å; R231-I254 WeakPolarHBondContact O-CA 3.41Å; R231-A255 PolarHBondContact O-N 3.37Å
232	A	95.8	Very high	95.6	Very high	50 Å²	50	44.9 Å²	44.9	41%	0.413	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	153.7	-179.6	0	0	0	0	0	110.6	A256	A232-A256 VanDerWaalsContact CA-O 3.24Å; A232-A256 WeakPolarHBondContact CA-O 3.44Å; A232-A256 HydrophobicContact CB-CB 4.45Å
233	I	94.9	Very high	95.5	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.046	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.9	169	-51	174.2	0	0	0	107.4	F238 L249 I254 A256 V257 A258 A261 F262 L273	I233-F238 HydrophobicContact CG2-CD2 4.38Å; I233-F238 HydrophobicContact CG2-CE2 3.66Å; I233-F238 HydrophobicContact CG2-CZ 4.5Å; I233-L249 HydrophobicContact CD1-CD1 3.69Å; I233-I254 HydrophobicContact CD1-CD1 4.15Å; I233-I254 HydrophobicContact CD1-CG2 4.38Å; I233-I254 HydrophobicContact CG1-CD1 4.03Å; I233-I254 HydrophobicContact CG1-CG2 4.05Å; I233-A256 PolarHBondContact N-O 2.88Å; I233-V257 HydrophobicContact CB-CG1 4.41Å; I233-V257 HydrophobicContact CD1-CG1 4.37Å; I233-V257 HydrophobicContact CD1-CG2 4.08Å; I233-A258 VanDerWaalsContact O-CB 3.26Å; I233-A258 WeakPolarHBondContact O-CB 3.35Å; I233-A258 PolarHBondContact O-N 2.94Å; I233-A261 HydrophobicContact CB-CB 4.37Å; I233-A261 HydrophobicContact CG2-CB 3.76Å; I233-F262 HydrophobicContact CD1-CE1 4.1Å; I233-F262 HydrophobicContact CD1-CZ 3.72Å; I233-L273 HydrophobicContact CD1-CD2 3.76Å
234	K	92.3	Very high	95.5	Very high	108 Å²	108	48.8 Å²	48.8	47%	0.47	25%	0.248	S	C	.	.			trans	-80	157	177.5	-64.1	179.9	-178.8	175.5	0	110.5	V237	K234-V237 HydrophobicContact CB-CG2 3.79Å; K234-V237 WeakPolarHBondContact O-CG2 3.22Å
235	A	90.2	Very high	95.5	Very high	42 Å²	42	50.2 Å²	50.2	35%	0.347	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	147.2	172.3	0	0	0	0	0	111	V237 A258	A235-V237 PolarHBondContact O-N 2.59Å; A235-A258 HydrophobicContact CB-CB 4.31Å
236	N	89.1	Confident	95.5	Very high	93 Å²	93	53.7 Å²	53.7	50%	0.497	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	4.3	173.8	-52.1	-34.7	0	0	0	117.1	F238 A239	N236-F238 PolarHBondContact O-N 3.04Å; N236-A239 HydrophobicContact CB-CB 4.11Å; N236-A239 WeakPolarHBondContact O-CB 3.18Å; N236-A239 PolarHBondContact O-N 2.88Å; N236-A239 VanDerWaalsContact O-N 3.16Å
237	V	93.7	Very high	95.5	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.03	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.6	178.8	170.9	0	0	0	0	112	L209 P211 F214 K234 A235	L209-V237 HydrophobicContact CB-CG1 3.77Å; L209-V237 HydrophobicContact CD1-CG1 4.08Å; P211-V237 HydrophobicContact CG-CG2 4.48Å; F214-V237 HydrophobicContact CD2-CG1 4.48Å; F214-V237 HydrophobicContact CE2-CG1 4.16Å; K234-V237 HydrophobicContact CB-CG2 3.79Å; K234-V237 WeakPolarHBondContact O-CG2 3.22Å; A235-V237 PolarHBondContact O-N 2.59Å
238	F	95	Very high	95.5	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	7.6	-178.9	-51.1	-63.3	0	0	0	113.5	L209 F214 L223 L225 I233 N236 Q240 L241 L247 L249 F262 L265	L209-F238 HydrophobicContact CD1-CE1 4.36Å; L209-F238 HydrophobicContact CD1-CZ 4.35Å; F214-F238 HydrophobicContact CD2-CD1 4.42Å; F214-F238 HydrophobicContact CE2-CD1 4.24Å; F214-F238 HydrophobicContact CE2-CE1 4.08Å; L223-F238 HydrophobicContact CD2-CD1 4.27Å; L223-F238 HydrophobicContact CD2-CE1 4.03Å; L225-F238 HydrophobicContact CD1-CE1 4.09Å; L225-F238 HydrophobicContact CD1-CZ 4.37Å; I233-F238 HydrophobicContact CG2-CD2 4.38Å; I233-F238 HydrophobicContact CG2-CE2 3.66Å; I233-F238 HydrophobicContact CG2-CZ 4.5Å; N236-F238 PolarHBondContact O-N 3.04Å; F238-Q240 PolarHBondContact O-N 3.29Å; F238-Q240 VanDerWaalsContact O-N 3.08Å; F238-L241 HydrophobicContact CB-CD1 4.29Å; F238-L241 HydrophobicContact CD1-CD1 4.06Å; F238-L241 WeakPolarHBondContact O-CB 3.36Å; F238-L241 PolarHBondContact O-N 3.4Å; F238-L241 VanDerWaalsContact O-N 3.09Å; F238-L247 HydrophobicContact CD2-CD2 4.04Å; F238-L247 HydrophobicContact CE1-CD1 4.17Å; F238-L247 HydrophobicContact CE1-CD2 4.35Å; F238-L247 HydrophobicContact CE2-CD2 3.85Å; F238-L247 HydrophobicContact CG-CD2 4.37Å; F238-L247 HydrophobicContact CZ-CD1 4.26Å; F238-L247 HydrophobicContact CZ-CD2 4.02Å; F238-L249 HydrophobicContact CE2-CD1 4.39Å; F238-L249 HydrophobicContact CZ-CD1 4.3Å; F238-L249 HydrophobicContact CZ-CD2 4.45Å; F238-F262 HydrophobicContact CD2-CD1 4.28Å; F238-F262 HydrophobicContact CD2-CE1 4.44Å; F238-F262 HydrophobicContact CE2-CE1 4.27Å; F238-L265 HydrophobicContact CB-CD1 3.94Å; F238-L265 HydrophobicContact CB-CD2 3.98Å; F238-L265 HydrophobicContact CB-CG 4.28Å; F238-L265 WeakPolarHBondContact O-CD2 3.22Å
239	A	91.2	Very high	95.5	Very high	36 Å²	36	49.6 Å²	49.6	30%	0.298	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.9	-171.1	0	0	0	0	0	113.9	N236 L241	N236-A239 HydrophobicContact CB-CB 4.11Å; N236-A239 WeakPolarHBondContact O-CB 3.18Å; N236-A239 PolarHBondContact O-N 2.88Å; N236-A239 VanDerWaalsContact O-N 3.16Å; A239-L241 VanDerWaalsContact C-N 3.33Å
240	Q	90.4	Very high	95.5	Very high	115 Å²	115	49.3 Å²	49.3	54%	0.537	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	17.1	-179.7	-61.3	-60.4	-46.2	0	0	113.5	F238 P242	F238-Q240 PolarHBondContact O-N 3.29Å; F238-Q240 VanDerWaalsContact O-N 3.08Å; Q240-P242 WeakPolarHBondContact O-CD 3.31Å
241	L	95.3	Very high	95.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.			trans	-116.7	64.3	-178.6	-59	178	0	0	0	111.9	F214 L217 L220 L223 F238 A239 R243 L244 L265	F214-L241 HydrophobicContact CB-CD1 4.3Å; F214-L241 HydrophobicContact CB-CD2 3.96Å; F214-L241 HydrophobicContact CB-CG 4.24Å; F214-L241 HydrophobicContact CD2-CD1 4.42Å; F214-L241 HydrophobicContact CG-CD1 4.33Å; L217-L241 HydrophobicContact CB-CD2 3.89Å; L217-L241 WeakPolarHBondContact O-CD2 3.41Å; L220-L241 HydrophobicContact CB-CD2 4.06Å; L220-L241 HydrophobicContact CD2-CD1 4.24Å; L220-L241 HydrophobicContact CD2-CD2 3.86Å; L223-L241 HydrophobicContact CD2-CD1 4.09Å; F238-L241 HydrophobicContact CB-CD1 4.29Å; F238-L241 HydrophobicContact CD1-CD1 4.06Å; F238-L241 WeakPolarHBondContact O-CB 3.36Å; F238-L241 PolarHBondContact O-N 3.4Å; F238-L241 VanDerWaalsContact O-N 3.09Å; A239-L241 VanDerWaalsContact C-N 3.33Å; L241-R243 PolarHBondContact O-N 3.42Å; L241-L244 HydrophobicContact CB-CB 4Å; L241-L244 HydrophobicContact CB-CD2 4.42Å; L241-L244 HydrophobicContact CD1-CD2 4.04Å; L241-L244 WeakPolarHBondContact O-CB 3.35Å; L241-L244 PolarHBondContact O-N 3.05Å; L241-L265 HydrophobicContact CB-CD2 4.13Å; L241-L265 WeakPolarHBondContact O-CD2 3.38Å
242	P	94.1	Very high	95.6	Very high	71 Å²	71	46.2 Å²	46.2	46%	0.461	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.4	-170.3	28.8	-36.9	0	0	0	114.2	Q240 A267	Q240-P242 WeakPolarHBondContact O-CD 3.31Å; P242-A267 WeakPolarHBondContact O-CB 3.32Å
243	R	97.3	Very high	95.8	Very high	126 Å²	126	46.3 Å²	46.3	48%	0.475	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.8	-179.5	-66.7	-169.3	174.3	165	12.3	113.8	E219 L220 L241 Q245	E219-R243 IonicContact OE1-CZ 3.94Å; E219-R243 IonicContact OE1-NH1 2.74Å; E219-R243 PolarHBondContact OE1-NH1 3.36Å; E219-R243 IonicContact OE1-NH2 3.14Å; E219-R243 IonicContact OE2-CZ 3.96Å; E219-R243 IonicContact OE2-NH1 3.36Å; E219-R243 PolarHBondContact OE2-NH1 3.46Å; L220-R243 CarbonylContact O-C 3.51Å; L241-R243 PolarHBondContact O-N 3.42Å; R243-Q245 WeakPolarHBondContact O-CG 3.3Å; R243-Q245 PolarHBondContact O-N 3.1Å
244	L	98.2	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.			trans	-63.5	125.4	-178.5	-163.9	70.8	0	0	0	110.2	L220 L223 L241 L247 L265 A267 L268	L220-L244 HydrophobicContact CD2-CD1 4.14Å; L220-L244 HydrophobicContact CG-CD1 4.17Å; L220-L244 VanDerWaalsContact O-CA 3.26Å; L220-L244 WeakPolarHBondContact O-CA 3.46Å; L220-L244 PolarHBondContact O-N 3.49Å; L220-L244 VanDerWaalsContact O-N 3.09Å; L223-L244 HydrophobicContact CB-CD1 3.83Å; L241-L244 HydrophobicContact CB-CB 4Å; L241-L244 HydrophobicContact CB-CD2 4.42Å; L241-L244 HydrophobicContact CD1-CD2 4.04Å; L241-L244 WeakPolarHBondContact O-CB 3.35Å; L241-L244 PolarHBondContact O-N 3.05Å; L244-L247 HydrophobicContact CD2-CB 4.08Å; L244-L247 HydrophobicContact CD2-CD1 4.4Å; L244-L247 HydrophobicContact CD2-CD2 4.37Å; L244-L265 HydrophobicContact CB-CD2 4.25Å; L244-L265 HydrophobicContact CD2-CD1 4.43Å; L244-L265 HydrophobicContact CD2-CD2 4.25Å; L244-A267 CarbonylContact O-C 3.52Å; L244-L268 HydrophobicContact CB-CD1 4.5Å; L244-L268 HydrophobicContact CD2-CD1 4.13Å; L244-L268 HydrophobicContact CG-CD1 4.1Å; L244-L268 WeakPolarHBondContact O-CA 3.29Å; L244-L268 PolarHBondContact O-N 2.83Å
245	Q	98.7	Very high	96.1	Very high	62 Å²	62	43.3 Å²	43.3	29%	0.29	22%	0.224	S	C	.	.			trans	-107.9	-34.4	-178.5	-62.8	-177.4	1.5	0	0	111.7	R221 R243 R269 W270	R221-Q245 WeakPolarHBondContact O-CA 3.29Å; R221-Q245 PolarHBondContact O-N 3.43Å; R243-Q245 WeakPolarHBondContact O-CG 3.3Å; R243-Q245 PolarHBondContact O-N 3.1Å; Q245-R269 PolarHBondContact O-N 3.28Å; Q245-W270 PolarHBondContact O-N 3.45Å
246	K	98.9	Very high	96.2	Very high	74 Å²	74	44 Å²	44	32%	0.322	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.3	-179.7	-61.9	163.4	170.4	-175.2	0	110.9	R221 E222 L223 Y248 W270	R221-K246 PolarHBondContact O-N 2.93Å; E222-K246 VanDerWaalsContact CD-CD 3.42Å; E222-K246 HydrophobicContact CG-CB 4.17Å; E222-K246 HydrophobicContact CG-CD 4.07Å; E222-K246 IonicContact OE1-NZ 2.61Å; E222-K246 PolarHBondContact OE1-NZ 3.35Å; E222-K246 WeakPolarHBondContact OE2-CD 3.43Å; E222-K246 IonicContact OE2-NZ 3.39Å; E222-K246 PolarHBondContact OE2-NZ 3.39Å; L223-K246 PolarHBondContact N-O 3.11Å; L223-K246 VanDerWaalsContact N-O 3.08Å; K246-Y248 HydrophobicContact CB-CE2 3.79Å; K246-Y248 HydrophobicContact CD-CE2 4.22Å; K246-W270 WeakPolarHBondContact CA-O 3.39Å; K246-W270 HydrophobicContact CB-CB 4.22Å; K246-W270 HydrophobicContact CG-CB 3.85Å; K246-W270 HydrophobicContact CG-CG 4.48Å
247	L	98.9	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	115.3	175.6	179.4	55.6	0	0	0	109.4	L223 L225 F238 L244 L249 F262 L265 L268 W270 L271 D272	L223-L247 HydrophobicContact CB-CD1 4.15Å; L223-L247 HydrophobicContact CD2-CD1 4.01Å; L223-L247 HydrophobicContact CG-CD1 4.08Å; L225-L247 HydrophobicContact CD1-CD1 4.43Å; F238-L247 HydrophobicContact CD2-CD2 4.04Å; F238-L247 HydrophobicContact CE1-CD1 4.17Å; F238-L247 HydrophobicContact CE1-CD2 4.35Å; F238-L247 HydrophobicContact CE2-CD2 3.85Å; F238-L247 HydrophobicContact CG-CD2 4.37Å; F238-L247 HydrophobicContact CZ-CD1 4.26Å; F238-L247 HydrophobicContact CZ-CD2 4.02Å; L244-L247 HydrophobicContact CD2-CB 4.08Å; L244-L247 HydrophobicContact CD2-CD1 4.4Å; L244-L247 HydrophobicContact CD2-CD2 4.37Å; L247-L249 HydrophobicContact CD1-CD1 4.28Å; L247-L249 HydrophobicContact CD1-CG 4.16Å; L247-L249 HydrophobicContact CD2-CD1 3.88Å; L247-L249 HydrophobicContact CG-CD1 3.86Å; L247-L249 HydrophobicContact CG-CG 4.11Å; L247-F262 HydrophobicContact CD2-CD1 4.34Å; L247-F262 HydrophobicContact CD2-CE1 4.13Å; L247-L265 HydrophobicContact CD2-CD1 4.4Å; L247-L268 HydrophobicContact CB-CD1 3.95Å; L247-W270 PolarHBondContact N-O 3.49Å; L247-L271 HydrophobicContact CB-CD1 4.15Å; L247-L271 HydrophobicContact CD2-CD1 4Å; L247-L271 HydrophobicContact CG-CD1 4.09Å; L247-D272 PolarHBondContact O-N 2.83Å
248	Y	98.9	Very high	96.4	Very high	40 Å²	40	41.4 Å²	41.4	16%	0.157	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.6	176.8	-56	-87.8	0	0	0	109.8	E222 L223 D224 L225 S226 K246 W270 D272	E222-Y248 HydrophobicContact CG-CE2 4.11Å; E222-Y248 WeakPolarHBondContact OE1-CE2 3.47Å; L223-Y248 PolarHBondContact O-N 3.37Å; D224-Y248 HydrophobicContact CB-CD2 4.21Å; L225-Y248 CarbonylContact C-O 3.13Å; L225-Y248 WeakPolarHBondContact CA-O 3.08Å; L225-Y248 WeakPolarHBondContact CB-O 3.34Å; L225-Y248 PolarHBondContact N-O 3.08Å; S226-Y248 PolarHBondContact N-O 3.13Å; K246-Y248 HydrophobicContact CB-CE2 3.79Å; K246-Y248 HydrophobicContact CD-CE2 4.22Å; Y248-W270 AromaticContact CD1-NE1 3.88Å; Y248-W270 AromaticContact CE1-CD1 3.69Å; Y248-W270 AromaticContact CE1-NE1 3.29Å; Y248-W270 VanDerWaalsContact CE1-NE1 3.29Å; Y248-D272 HydrophobicContact CD1-CB 4.11Å
249	L	98.8	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.			trans	-129.1	12.8	178.9	-72.4	162.8	0	0	0	110.9	L225 L230 I233 F238 L247 N252 I254 F262 L271 D272 L273 N276	L225-L249 HydrophobicContact CB-CD2 3.85Å; L225-L249 HydrophobicContact CD1-CD2 3.94Å; L230-L249 HydrophobicContact CD1-CD2 3.82Å; I233-L249 HydrophobicContact CD1-CD1 3.69Å; F238-L249 HydrophobicContact CE2-CD1 4.39Å; F238-L249 HydrophobicContact CZ-CD1 4.3Å; F238-L249 HydrophobicContact CZ-CD2 4.45Å; L247-L249 HydrophobicContact CD1-CD1 4.28Å; L247-L249 HydrophobicContact CD1-CG 4.16Å; L247-L249 HydrophobicContact CD2-CD1 3.88Å; L247-L249 HydrophobicContact CG-CD1 3.86Å; L247-L249 HydrophobicContact CG-CG 4.11Å; L249-N252 PolarHBondContact O-ND2 3.43Å; L249-I254 HydrophobicContact CB-CD1 4.07Å; L249-I254 HydrophobicContact CD2-CD1 4.31Å; L249-F262 HydrophobicContact CD1-CE1 4.45Å; L249-L271 HydrophobicContact CD1-CD1 4.42Å; L249-D272 CarbonylContact C-O 3.22Å; L249-D272 WeakPolarHBondContact CA-O 3.04Å; L249-D272 WeakPolarHBondContact CB-O 3.41Å; L249-D272 PolarHBondContact N-O 3.43Å; L249-L273 HydrophobicContact CB-CD2 3.79Å; L249-L273 HydrophobicContact CD1-CD2 3.85Å; L249-L273 HydrophobicContact CG-CD2 4.49Å; L249-N276 PolarHBondContact O-ND2 2.84Å
250	D	98.9	Very high	96	Very high	23 Å²	23	44 Å²	44	12%	0.123	24%	0.237	C	C	.	.			trans	-65.5	157.2	-177.1	69.8	-72.9	0	0	0	112.4	S226 R227 N252 D272 S274	S226-D250 CarbonylContact C-O 3.55Å; S226-D250 VanDerWaalsContact CA-O 3.23Å; S226-D250 WeakPolarHBondContact CA-O 3.46Å; S226-D250 WeakPolarHBondContact CB-OD1 3.29Å; R227-D250 PolarHBondContact N-O 2.86Å; D250-N252 VanDerWaalsContact C-N 3.27Å; D250-N252 PolarHBondContact O-N 2.89Å; D250-N252 PolarHBondContact O-ND2 3Å; D250-D272 PolarHBondContact N-O 3.33Å; D250-S274 CarbonylContact C-O 3.42Å; D250-S274 WeakPolarHBondContact CA-O 3.17Å; D250-S274 WeakPolarHBondContact CB-O 3.42Å; D250-S274 WeakPolarHBondContact CB-OG 3.36Å
251	R	98.8	Very high	96.1	Very high	108 Å²	108	38.5 Å²	38.5	41%	0.408	21%	0.212	S	C	.	.	S	Bend	trans	56.8	39.8	176.9	-60.3	172.2	-179.1	-94.3	-2.8	113.1	R227 S274 H275	R227-R251 VanDerWaalsContact CA-O 3.29Å; R227-R251 WeakPolarHBondContact CA-O 3.45Å; R227-R251 HydrophobicContact CB-CB 4.48Å; R227-R251 HydrophobicContact CG-CB 3.74Å; R227-R251 HydrophobicContact CG-CG 4.35Å; R251-S274 PolarHBondContact N-O 3.24Å; R251-H275 VanDerWaalsContact CA-O 3.25Å; R251-H275 WeakPolarHBondContact CA-O 3.35Å; R251-H275 HydrophobicContact CB-CB 4.37Å; R251-H275 HydrophobicContact CG-CB 3.65Å; R251-H275 PolarHBondContact N-O 3.33Å
252	N	98.8	Very high	96	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-105.3	-163.9	170.8	-86.6	-85.2	0	0	0	110.4	L225 N228 A229 L230 L249 D250 I254 N276	L225-N252 PolarHBondContact O-ND2 3.12Å; N228-N252 VanDerWaalsContact CA-OD1 3.23Å; N228-N252 WeakPolarHBondContact CA-OD1 3.24Å; N228-N252 WeakPolarHBondContact CB-OD1 3.08Å; N228-N252 PolarHBondContact N-OD1 2.63Å; N228-N252 PolarHBondContact O-OD1 3.44Å; A229-N252 PolarHBondContact N-OD1 2.88Å; L230-N252 HydrophobicContact CB-CB 4.21Å; L230-N252 VanDerWaalsContact CB-OD1 3.31Å; L230-N252 WeakPolarHBondContact CB-OD1 3.45Å; L230-N252 WeakPolarHBondContact CG-OD1 3.26Å; L230-N252 PolarHBondContact N-OD1 3.49Å; L249-N252 PolarHBondContact O-ND2 3.43Å; D250-N252 VanDerWaalsContact C-N 3.27Å; D250-N252 PolarHBondContact O-N 2.89Å; D250-N252 PolarHBondContact O-ND2 3Å; N252-I254 HydrophobicContact CB-CD1 4Å; N252-I254 HydrophobicContact CB-CG1 3.89Å; N252-N276 VanDerWaalsContact CA-OD1 3.28Å; N252-N276 WeakPolarHBondContact CA-OD1 3.49Å; N252-N276 WeakPolarHBondContact CB-OD1 3.47Å; N252-N276 PolarHBondContact N-OD1 2.93Å; N252-N276 PolarHBondContact O-OD1 2.97Å
253	L	98.4	Very high	95.8	Very high	52 Å²	52	39.9 Å²	39.9	27%	0.272	21%	0.214	S	C	.	.			trans	-113.6	24.8	177.6	-57.1	176.8	0	0	0	111.6	A229 L230 R231 A255 N276	A229-L253 HydrophobicContact CB-CD1 4.31Å; L230-L253 CarbonylContact O-C 3Å; L230-L253 WeakPolarHBondContact O-CA 3.29Å; L230-L253 WeakPolarHBondContact O-CB 3.25Å; L230-L253 PolarHBondContact O-N 2.8Å; R231-L253 HydrophobicContact CG-CB 4.36Å; L253-A255 PolarHBondContact O-N 3.4Å; L253-A255 VanDerWaalsContact O-N 3.13Å; L253-N276 PolarHBondContact N-OD1 2.8Å
254	I	98.1	Very high	95.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.			trans	-68.8	112.9	-168.1	-59.9	167.6	0	0	0	109	L230 R231 I233 L249 N252 V257 L273 N276 R277 V278	L230-I254 HydrophobicContact CB-CD1 4.44Å; L230-I254 HydrophobicContact CB-CG1 4.08Å; L230-I254 WeakPolarHBondContact O-CG1 3.32Å; L230-I254 PolarHBondContact O-N 2.78Å; R231-I254 WeakPolarHBondContact O-CA 3.41Å; I233-I254 HydrophobicContact CD1-CD1 4.15Å; I233-I254 HydrophobicContact CD1-CG2 4.38Å; I233-I254 HydrophobicContact CG1-CD1 4.03Å; I233-I254 HydrophobicContact CG1-CG2 4.05Å; L249-I254 HydrophobicContact CB-CD1 4.07Å; L249-I254 HydrophobicContact CD2-CD1 4.31Å; N252-I254 HydrophobicContact CB-CD1 4Å; N252-I254 HydrophobicContact CB-CG1 3.89Å; I254-V257 HydrophobicContact CG2-CG2 4.22Å; I254-L273 HydrophobicContact CD1-CD2 4.18Å; I254-N276 HydrophobicContact CB-CB 4.2Å; I254-N276 VanDerWaalsContact CB-OD1 3.27Å; I254-N276 WeakPolarHBondContact CB-OD1 3.43Å; I254-N276 WeakPolarHBondContact CG1-OD1 3.49Å; I254-N276 PolarHBondContact N-OD1 3.05Å; I254-R277 CarbonylContact O-C 3.14Å; I254-R277 VanDerWaalsContact O-CA 3.28Å; I254-R277 WeakPolarHBondContact O-CA 3.13Å; I254-R277 PolarHBondContact O-N 3.49Å; I254-V278 HydrophobicContact CG2-CG2 4.21Å; I254-V278 PolarHBondContact O-N 2.79Å; I254-V278 VanDerWaalsContact O-N 3.07Å
255	A	96.4	Very high	95.2	Very high	55 Å²	55	35.6 Å²	35.6	46%	0.455	21%	0.209	S	C	.	.			trans	-102.3	-25	177.4	0	0	0	0	0	112.7	R231 L253 R277	R231-A255 PolarHBondContact O-N 3.37Å; L253-A255 PolarHBondContact O-N 3.4Å; L253-A255 VanDerWaalsContact O-N 3.13Å; A255-R277 WeakPolarHBondContact CA-O 3.13Å; A255-R277 HydrophobicContact CB-CB 4.19Å
256	A	93.1	Very high	94.9	Very high	56 Å²	56	40.6 Å²	40.6	46%	0.463	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.6	-177.3	0	0	0	0	0	111.4	A232 I233	A232-A256 VanDerWaalsContact CA-O 3.24Å; A232-A256 WeakPolarHBondContact CA-O 3.44Å; A232-A256 HydrophobicContact CB-CB 4.45Å; I233-A256 PolarHBondContact N-O 2.88Å
257	V	94.3	Very high	94.8	Very high	17 Å²	17	38.6 Å²	38.6	10%	0.103	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.4	170.2	-177.1	0	0	0	0	106.8	I233 I254 A261 F262 V278 T285	I233-V257 HydrophobicContact CB-CG1 4.41Å; I233-V257 HydrophobicContact CD1-CG1 4.37Å; I233-V257 HydrophobicContact CD1-CG2 4.08Å; I254-V257 HydrophobicContact CG2-CG2 4.22Å; V257-A261 HydrophobicContact CG1-CB 3.74Å; V257-F262 HydrophobicContact CG1-CE2 3.76Å; V257-F262 HydrophobicContact CG1-CZ 4.11Å; V257-V278 HydrophobicContact CG2-CG2 4.42Å; V257-T285 HydrophobicContact CB-CG2 4.21Å; V257-T285 HydrophobicContact CG1-CG2 3.83Å
258	A	91.8	Very high	94.8	Very high	26 Å²	26	38.6 Å²	38.6	22%	0.215	23%	0.227	C	C	.	.			trans	-65.1	147.3	178.5	0	0	0	0	0	110.9	I233 A235 G260 A261	I233-A258 VanDerWaalsContact O-CB 3.26Å; I233-A258 WeakPolarHBondContact O-CB 3.35Å; I233-A258 PolarHBondContact O-N 2.94Å; A235-A258 HydrophobicContact CB-CB 4.31Å; A258-G260 PolarHBondContact O-N 2.99Å; A258-A261 WeakPolarHBondContact O-CB 3.38Å; A258-A261 PolarHBondContact O-N 3.49Å
259	P	88.7	Confident	94.7	Very high	74 Å²	74	42.8 Å²	42.8	48%	0.481	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	133.8	170.8	-25.4	34.7	0	0	0	111.2	A261 L282 D284	P259-A261 PolarHBondContact O-N 3.45Å; P259-L282 HydrophobicContact CG-CD1 4.16Å; P259-D284 HydrophobicContact CB-CB 4.2Å
260	G	88.3	Confident	94.8	Very high	17 Å²	17	45.5 Å²	45.5	18%	0.175	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	20.3	-177.7	0	0	0	0	0	114.9	A258 F262 L263 D284	A258-G260 PolarHBondContact O-N 2.99Å; G260-F262 PolarHBondContact O-N 3.08Å; G260-F262 VanDerWaalsContact O-N 3.09Å; G260-L263 WeakPolarHBondContact O-CB 3.19Å; G260-L263 PolarHBondContact O-N 3.16Å; G260-D284 PolarHBondContact N-O 2.78Å
261	A	92.5	Very high	94.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28	177.6	0	0	0	0	0	113.8	I233 V257 A258 P259	I233-A261 HydrophobicContact CB-CB 4.37Å; I233-A261 HydrophobicContact CG2-CB 3.76Å; V257-A261 HydrophobicContact CG1-CB 3.74Å; A258-A261 WeakPolarHBondContact O-CB 3.38Å; A258-A261 PolarHBondContact O-N 3.49Å; P259-A261 PolarHBondContact O-N 3.45Å
262	F	94	Very high	94.8	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	11.5	-179.7	-51.6	-65.4	0	0	0	113.4	I233 F238 L247 L249 V257 G260 G264 L265 L271 L273 T285 F286 L289	I233-F262 HydrophobicContact CD1-CE1 4.1Å; I233-F262 HydrophobicContact CD1-CZ 3.72Å; F238-F262 HydrophobicContact CD2-CD1 4.28Å; F238-F262 HydrophobicContact CD2-CE1 4.44Å; F238-F262 HydrophobicContact CE2-CE1 4.27Å; L247-F262 HydrophobicContact CD2-CD1 4.34Å; L247-F262 HydrophobicContact CD2-CE1 4.13Å; L249-F262 HydrophobicContact CD1-CE1 4.45Å; V257-F262 HydrophobicContact CG1-CE2 3.76Å; V257-F262 HydrophobicContact CG1-CZ 4.11Å; G260-F262 PolarHBondContact O-N 3.08Å; G260-F262 VanDerWaalsContact O-N 3.09Å; F262-G264 PolarHBondContact O-N 3.13Å; F262-L265 HydrophobicContact CB-CD1 4.12Å; F262-L265 HydrophobicContact CD1-CD1 4.09Å; F262-L265 WeakPolarHBondContact O-CB 3.41Å; F262-L265 WeakPolarHBondContact O-CG 3.45Å; F262-L265 PolarHBondContact O-N 3.41Å; F262-L271 HydrophobicContact CD1-CD2 4.45Å; F262-L271 HydrophobicContact CD2-CD2 4.27Å; F262-L271 HydrophobicContact CE1-CD1 4.01Å; F262-L271 HydrophobicContact CE1-CD2 4.14Å; F262-L271 HydrophobicContact CE2-CD2 3.95Å; F262-L271 HydrophobicContact CZ-CD1 4.26Å; F262-L271 HydrophobicContact CZ-CD2 3.89Å; F262-L273 HydrophobicContact CE2-CD1 4.47Å; F262-L273 HydrophobicContact CZ-CD1 4.09Å; F262-T285 WeakPolarHBondContact CD2-O 3.32Å; F262-F286 HydrophobicContact CD2-CD1 4.15Å; F262-F286 HydrophobicContact CD2-CE1 4.43Å; F262-F286 HydrophobicContact CE2-CD1 4.26Å; F262-F286 HydrophobicContact CE2-CE1 4.08Å; F262-L289 HydrophobicContact CB-CD1 4.07Å; F262-L289 HydrophobicContact CB-CD2 3.98Å; F262-L289 HydrophobicContact CB-CG 4.23Å; F262-L289 HydrophobicContact CD2-CD1 4.41Å; F262-L289 HydrophobicContact CG-CD1 4.39Å
263	L	90.7	Very high	94.7	Very high	98 Å²	98	39.5 Å²	39.5	51%	0.513	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	133.9	-179.7	-166.8	71.3	0	0	0	110.6	G260	G260-L263 WeakPolarHBondContact O-CB 3.19Å; G260-L263 PolarHBondContact O-N 3.16Å
264	G	87.9	Confident	94.8	Very high	35 Å²	35	37.6 Å²	37.6	36%	0.361	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-11.5	-179.9	0	0	0	0	0	114.9	F262 K266	F262-G264 PolarHBondContact O-N 3.13Å; G264-K266 PolarHBondContact O-N 3.44Å
265	L	94.6	Very high	94.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	24%	0.235	C	C	.	.			trans	-78.4	54.9	178	-60.2	-174.3	0	0	0	113	F238 L241 L244 L247 F262 A267 L268 L289	F238-L265 HydrophobicContact CB-CD1 3.94Å; F238-L265 HydrophobicContact CB-CD2 3.98Å; F238-L265 HydrophobicContact CB-CG 4.28Å; F238-L265 WeakPolarHBondContact O-CD2 3.22Å; L241-L265 HydrophobicContact CB-CD2 4.13Å; L241-L265 WeakPolarHBondContact O-CD2 3.38Å; L244-L265 HydrophobicContact CB-CD2 4.25Å; L244-L265 HydrophobicContact CD2-CD1 4.43Å; L244-L265 HydrophobicContact CD2-CD2 4.25Å; L247-L265 HydrophobicContact CD2-CD1 4.4Å; F262-L265 HydrophobicContact CB-CD1 4.12Å; F262-L265 HydrophobicContact CD1-CD1 4.09Å; F262-L265 WeakPolarHBondContact O-CB 3.41Å; F262-L265 WeakPolarHBondContact O-CG 3.45Å; F262-L265 PolarHBondContact O-N 3.41Å; L265-A267 PolarHBondContact O-N 3.13Å; L265-L268 HydrophobicContact CB-CB 4.02Å; L265-L268 HydrophobicContact CB-CD2 4.36Å; L265-L268 HydrophobicContact CD1-CD2 4.03Å; L265-L268 VanDerWaalsContact O-CB 3.26Å; L265-L268 WeakPolarHBondContact O-CB 3.18Å; L265-L268 PolarHBondContact O-N 3.03Å; L265-L268 VanDerWaalsContact O-N 3.11Å; L265-L289 HydrophobicContact CB-CD2 3.96Å
266	K	92.4	Very high	94.9	Very high	167 Å²	167	38.8 Å²	38.8	73%	0.726	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-24	-174	-62.6	-178	-179.3	-178.3	0	114	G264	G264-K266 PolarHBondContact O-N 3.44Å
267	A	96.6	Very high	95.1	Very high	32 Å²	32	43.3 Å²	43.3	26%	0.264	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.4	179.1	0	0	0	0	0	113.5	P242 L244 L265 R269	P242-A267 WeakPolarHBondContact O-CB 3.32Å; L244-A267 CarbonylContact O-C 3.52Å; L265-A267 PolarHBondContact O-N 3.13Å; A267-R269 PolarHBondContact O-N 2.84Å
268	L	98.2	Very high	95.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.			trans	-68.2	127.3	-173	-163	73.4	0	0	0	110.5	L244 L247 L265 L271 L289 G291 L292	L244-L268 HydrophobicContact CB-CD1 4.5Å; L244-L268 HydrophobicContact CD2-CD1 4.13Å; L244-L268 HydrophobicContact CG-CD1 4.1Å; L244-L268 WeakPolarHBondContact O-CA 3.29Å; L244-L268 PolarHBondContact O-N 2.83Å; L247-L268 HydrophobicContact CB-CD1 3.95Å; L265-L268 HydrophobicContact CB-CB 4.02Å; L265-L268 HydrophobicContact CB-CD2 4.36Å; L265-L268 HydrophobicContact CD1-CD2 4.03Å; L265-L268 VanDerWaalsContact O-CB 3.26Å; L265-L268 WeakPolarHBondContact O-CB 3.18Å; L265-L268 PolarHBondContact O-N 3.03Å; L265-L268 VanDerWaalsContact O-N 3.11Å; L268-L271 HydrophobicContact CD2-CB 4.16Å; L268-L289 HydrophobicContact CB-CD2 4.26Å; L268-L289 HydrophobicContact CD2-CD1 4.49Å; L268-L289 HydrophobicContact CD2-CD2 3.92Å; L268-G291 CarbonylContact O-C 3.43Å; L268-L292 HydrophobicContact CD2-CD1 4.06Å; L268-L292 HydrophobicContact CG-CD1 4.04Å; L268-L292 VanDerWaalsContact O-CA 3.29Å; L268-L292 WeakPolarHBondContact O-CA 3.36Å; L268-L292 PolarHBondContact O-N 2.94Å
269	R	98.6	Very high	95.3	Very high	129 Å²	129	44 Å²	44	49%	0.487	23%	0.229	S	C	.	.			trans	-113.6	-28.3	179.8	-63.4	179.7	-176.9	-176.3	-0	111.9	Q245 A267 R293 V294	Q245-R269 PolarHBondContact O-N 3.28Å; A267-R269 PolarHBondContact O-N 2.84Å; R269-R293 PolarHBondContact O-N 3.18Å; R269-V294 PolarHBondContact O-N 2.94Å
270	W	98.9	Very high	95.2	Very high	57 Å²	57	42.4 Å²	42.4	22%	0.216	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.8	-175.4	-171.4	-72.4	0	0	0	110.7	Q245 K246 L247 Y248 V294	Q245-W270 PolarHBondContact O-N 3.45Å; K246-W270 WeakPolarHBondContact CA-O 3.39Å; K246-W270 HydrophobicContact CB-CB 4.22Å; K246-W270 HydrophobicContact CG-CB 3.85Å; K246-W270 HydrophobicContact CG-CG 4.48Å; L247-W270 PolarHBondContact N-O 3.49Å; Y248-W270 AromaticContact CD1-NE1 3.88Å; Y248-W270 AromaticContact CE1-CD1 3.69Å; Y248-W270 AromaticContact CE1-NE1 3.29Å; Y248-W270 VanDerWaalsContact CE1-NE1 3.29Å; W270-V294 HydrophobicContact CD2-CB 3.92Å; W270-V294 HydrophobicContact CD2-CG1 3.91Å; W270-V294 HydrophobicContact CD2-CG2 4.43Å; W270-V294 HydrophobicContact CE3-CB 3.57Å; W270-V294 HydrophobicContact CE3-CG1 3.76Å; W270-V294 HydrophobicContact CE3-CG2 3.58Å; W270-V294 HydrophobicContact CG-CB 4.44Å; W270-V294 HydrophobicContact CH2-CG1 4.05Å; W270-V294 HydrophobicContact CZ2-CG1 4.18Å; W270-V294 HydrophobicContact CZ3-CB 4Å; W270-V294 HydrophobicContact CZ3-CG1 3.83Å; W270-V294 HydrophobicContact CZ3-CG2 3.71Å
271	L	98.8	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.4	173.6	177.9	58.3	0	0	0	109.4	L247 L249 F262 L268 L273 F286 L289 L292 V294 L295 R296	L247-L271 HydrophobicContact CB-CD1 4.15Å; L247-L271 HydrophobicContact CD2-CD1 4Å; L247-L271 HydrophobicContact CG-CD1 4.09Å; L249-L271 HydrophobicContact CD1-CD1 4.42Å; F262-L271 HydrophobicContact CD1-CD2 4.45Å; F262-L271 HydrophobicContact CD2-CD2 4.27Å; F262-L271 HydrophobicContact CE1-CD1 4.01Å; F262-L271 HydrophobicContact CE1-CD2 4.14Å; F262-L271 HydrophobicContact CE2-CD2 3.95Å; F262-L271 HydrophobicContact CZ-CD1 4.26Å; F262-L271 HydrophobicContact CZ-CD2 3.89Å; L268-L271 HydrophobicContact CD2-CB 4.16Å; L271-L273 HydrophobicContact CD1-CD1 4.44Å; L271-L273 HydrophobicContact CD1-CG 4.26Å; L271-L273 HydrophobicContact CD2-CD1 4.1Å; L271-L273 HydrophobicContact CG-CD1 4.2Å; L271-L273 HydrophobicContact CG-CG 4.32Å; L271-F286 HydrophobicContact CD2-CD1 4.36Å; L271-F286 HydrophobicContact CD2-CE1 4.03Å; L271-L289 HydrophobicContact CD2-CD1 4.3Å; L271-L292 HydrophobicContact CB-CD1 3.94Å; L271-V294 PolarHBondContact N-O 2.9Å; L271-L295 HydrophobicContact CB-CD1 4.14Å; L271-L295 HydrophobicContact CD2-CD1 3.91Å; L271-L295 HydrophobicContact CG-CD1 4.05Å; L271-R296 PolarHBondContact O-N 2.79Å
272	D	98.9	Very high	94.4	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.8	175.9	-158	-28.9	0	0	0	111.1	L247 Y248 L249 D250 S274 R296	L247-D272 PolarHBondContact O-N 2.83Å; Y248-D272 HydrophobicContact CD1-CB 4.11Å; L249-D272 CarbonylContact C-O 3.22Å; L249-D272 WeakPolarHBondContact CA-O 3.04Å; L249-D272 WeakPolarHBondContact CB-O 3.41Å; L249-D272 PolarHBondContact N-O 3.43Å; D250-D272 PolarHBondContact N-O 3.33Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 2.98Å; D272-S274 PolarHBondContact OD1-OG 3.36Å; D272-R296 HydrophobicContact CB-CB 4.43Å; D272-R296 WeakPolarHBondContact OD2-CD 3.21Å
273	L	98.6	Very high	93.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.252	C	S	.	.			trans	-117.5	16.7	175	-74.2	165	0	0	0	111.1	I233 L249 I254 F262 L271 N276 R296 L297 N300	I233-L273 HydrophobicContact CD1-CD2 3.76Å; L249-L273 HydrophobicContact CB-CD2 3.79Å; L249-L273 HydrophobicContact CD1-CD2 3.85Å; L249-L273 HydrophobicContact CG-CD2 4.49Å; I254-L273 HydrophobicContact CD1-CD2 4.18Å; F262-L273 HydrophobicContact CE2-CD1 4.47Å; F262-L273 HydrophobicContact CZ-CD1 4.09Å; L271-L273 HydrophobicContact CD1-CD1 4.44Å; L271-L273 HydrophobicContact CD1-CG 4.26Å; L271-L273 HydrophobicContact CD2-CD1 4.1Å; L271-L273 HydrophobicContact CG-CD1 4.2Å; L271-L273 HydrophobicContact CG-CG 4.32Å; L273-N276 WeakPolarHBondContact O-CB 3.46Å; L273-N276 PolarHBondContact O-ND2 2.97Å; L273-R296 CarbonylContact C-O 3.29Å; L273-R296 WeakPolarHBondContact CA-O 3.39Å; L273-R296 PolarHBondContact N-O 3.45Å; L273-L297 HydrophobicContact CB-CD2 3.81Å; L273-L297 HydrophobicContact CD1-CD2 3.94Å; L273-N300 PolarHBondContact O-ND2 2.85Å
274	S	98.8	Very high	93.1	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.084	25%	0.252	C	S	.	.			trans	-64.8	158.9	-177.2	65	0	0	0	0	112.8	D250 R251 D272 N276 R296 S298	D250-S274 CarbonylContact C-O 3.42Å; D250-S274 WeakPolarHBondContact CA-O 3.17Å; D250-S274 WeakPolarHBondContact CB-O 3.42Å; D250-S274 WeakPolarHBondContact CB-OG 3.36Å; R251-S274 PolarHBondContact N-O 3.24Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 2.98Å; D272-S274 PolarHBondContact OD1-OG 3.36Å; S274-N276 VanDerWaalsContact C-N 3.35Å; S274-N276 PolarHBondContact O-N 3.25Å; S274-N276 PolarHBondContact O-ND2 2.88Å; S274-N276 VanDerWaalsContact O-ND2 3.15Å; S274-R296 PolarHBondContact N-O 3.43Å; S274-S298 CarbonylContact C-O 3.13Å; S274-S298 WeakPolarHBondContact CA-O 3.48Å; S274-S298 WeakPolarHBondContact CB-O 3.24Å
275	H	98.8	Very high	93.1	Very high	66 Å²	66	47 Å²	47	31%	0.306	24%	0.236	S	C	.	.	S	Bend	trans	53.2	48.2	-179.3	-63	-82.3	0	0	0	113.4	R251 S298 H299	R251-H275 VanDerWaalsContact CA-O 3.25Å; R251-H275 WeakPolarHBondContact CA-O 3.35Å; R251-H275 HydrophobicContact CB-CB 4.37Å; R251-H275 HydrophobicContact CG-CB 3.65Å; R251-H275 PolarHBondContact N-O 3.33Å; H275-S298 PolarHBondContact N-O 3.35Å; H275-H299 CarbonylContact C-O 3.12Å; H275-H299 WeakPolarHBondContact CA-O 3.35Å; H275-H299 HydrophobicContact CB-CB 4.42Å; H275-H299 AromaticContact CE1-CD2 3.17Å; H275-H299 PolarHBondContact CE1-CD2 3Å; H275-H299 AromaticContact CE1-CG 3.39Å; H275-H299 AromaticContact CE1-ND1 3.9Å; H275-H299 AromaticContact CE1-NE2 3.6Å; H275-H299 PolarHBondContact N-O 3.03Å; H275-H299 WeakPolarHBondContact ND1-CB 3.15Å; H275-H299 AromaticContact ND1-CD2 3.77Å; H275-H299 AromaticContact ND1-CG 3.55Å; H275-H299 AromaticContact NE2-CD2 3.45Å; H275-H299 PolarHBondContact NE2-CD2 3.01Å
276	N	98.8	Very high	92.9	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.07	24%	0.237	C	C	.	.	S	Bend	trans	-120.3	-160	175.1	-86.7	-74.2	0	0	0	110.1	L249 N252 L253 I254 L273 S274 V278 H299 N300	L249-N276 PolarHBondContact O-ND2 2.84Å; N252-N276 VanDerWaalsContact CA-OD1 3.28Å; N252-N276 WeakPolarHBondContact CA-OD1 3.49Å; N252-N276 WeakPolarHBondContact CB-OD1 3.47Å; N252-N276 PolarHBondContact N-OD1 2.93Å; N252-N276 PolarHBondContact O-OD1 2.97Å; L253-N276 PolarHBondContact N-OD1 2.8Å; I254-N276 HydrophobicContact CB-CB 4.2Å; I254-N276 VanDerWaalsContact CB-OD1 3.27Å; I254-N276 WeakPolarHBondContact CB-OD1 3.43Å; I254-N276 WeakPolarHBondContact CG1-OD1 3.49Å; I254-N276 PolarHBondContact N-OD1 3.05Å; L273-N276 WeakPolarHBondContact O-CB 3.46Å; L273-N276 PolarHBondContact O-ND2 2.97Å; S274-N276 VanDerWaalsContact C-N 3.35Å; S274-N276 PolarHBondContact O-N 3.25Å; S274-N276 PolarHBondContact O-ND2 2.88Å; S274-N276 VanDerWaalsContact O-ND2 3.15Å; N276-V278 HydrophobicContact CB-CG2 4.29Å; N276-H299 PolarHBondContact N-O 2.94Å; N276-N300 VanDerWaalsContact CA-OD1 3.31Å; N276-N300 WeakPolarHBondContact CA-OD1 3.49Å; N276-N300 WeakPolarHBondContact CB-OD1 3.44Å; N276-N300 PolarHBondContact O-OD1 3.03Å
277	R	98.1	Very high	92.8	Very high	151 Å²	151	40.8 Å²	40.8	57%	0.57	21%	0.213	S	C	*	.			trans	-123.6	22.9	-178.9	-59.5	-179.9	179.9	-173.2	-2.2	111.8	I254 A255 A279 N300	I254-R277 CarbonylContact O-C 3.14Å; I254-R277 VanDerWaalsContact O-CA 3.28Å; I254-R277 WeakPolarHBondContact O-CA 3.13Å; I254-R277 PolarHBondContact O-N 3.49Å; A255-R277 WeakPolarHBondContact CA-O 3.13Å; A255-R277 HydrophobicContact CB-CB 4.19Å; R277-A279 PolarHBondContact O-N 2.87Å; R277-A279 VanDerWaalsContact O-N 3.15Å; R277-N300 PolarHBondContact N-OD1 3Å
278	V	97.1	Very high	92.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.212	C	C	.	.			trans	-64.5	115.8	-175.8	-180	0	0	0	0	108.5	I254 V257 N276 L281 N300 A301 I302	I254-V278 HydrophobicContact CG2-CG2 4.21Å; I254-V278 PolarHBondContact O-N 2.79Å; I254-V278 VanDerWaalsContact O-N 3.07Å; V257-V278 HydrophobicContact CG2-CG2 4.42Å; N276-V278 HydrophobicContact CB-CG2 4.29Å; V278-L281 HydrophobicContact CG1-CD2 4.07Å; V278-N300 HydrophobicContact CB-CB 4.31Å; V278-N300 WeakPolarHBondContact CB-OD1 3.25Å; V278-N300 WeakPolarHBondContact CG2-OD1 3.23Å; V278-N300 PolarHBondContact N-OD1 3.36Å; V278-A301 CarbonylContact O-C 3.23Å; V278-A301 VanDerWaalsContact O-C 3.23Å; V278-A301 WeakPolarHBondContact O-CA 3.14Å; V278-A301 PolarHBondContact O-N 2.64Å; V278-I302 HydrophobicContact CG1-CG1 4.42Å; V278-I302 WeakPolarHBondContact O-CG1 3.08Å; V278-I302 PolarHBondContact O-N 3.42Å; V278-I302 VanDerWaalsContact O-N 3.14Å
279	A	93.2	Very high	92	Very high	56 Å²	56	40.4 Å²	40.4	46%	0.463	21%	0.212	S	C	.	.			trans	-97.5	-23.9	-175.9	0	0	0	0	0	113.6	R277 A301	R277-A279 PolarHBondContact O-N 2.87Å; R277-A279 VanDerWaalsContact O-N 3.15Å; A279-A301 WeakPolarHBondContact CA-O 3.33Å; A279-A301 HydrophobicContact CB-CB 4.23Å
280	G	86.3	Confident	91.7	Very high	42 Å²	42	38.7 Å²	38.7	43%	0.433	21%	0.212	S	C	.	.			trans	-148	141.6	-178.6	0	0	0	0	0	111.5
281	L	85.3	Confident	91.5	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	21%	0.214	C	C	.	.			trans	-104.2	130.9	166.5	-58.1	172.2	0	0	0	107.1	V278 T285 F286 L297 I302 T309 F310	V278-L281 HydrophobicContact CG1-CD2 4.07Å; L281-T285 HydrophobicContact CD2-CG2 4.33Å; L281-F286 HydrophobicContact CD1-CE2 4.15Å; L281-F286 HydrophobicContact CD2-CE2 4Å; L281-F286 HydrophobicContact CD2-CZ 3.91Å; L281-L297 HydrophobicContact CD1-CD1 3.99Å; L281-L297 HydrophobicContact CD2-CD2 4.46Å; L281-I302 HydrophobicContact CD1-CD1 4.01Å; L281-I302 HydrophobicContact CG-CD1 4.21Å; L281-T309 HydrophobicContact CB-CG2 3.68Å; L281-T309 HydrophobicContact CD1-CG2 3.97Å; L281-T309 HydrophobicContact CG-CG2 4.49Å; L281-F310 HydrophobicContact CD1-CE1 4.3Å; L281-F310 HydrophobicContact CD1-CZ 4.26Å
282	L	78.3	Confident	91.5	Very high	64 Å²	64	37.1 Å²	37.1	34%	0.335	21%	0.214	S	C	.	.			trans	-92.6	157.2	171.7	-57.1	177.7	0	0	0	109.3	P259 D284 T285 R306	P259-L282 HydrophobicContact CG-CD1 4.16Å; L282-D284 PolarHBondContact O-N 2.9Å; L282-D284 VanDerWaalsContact O-N 3.15Å; L282-T285 PolarHBondContact N-OG1 3.34Å; L282-T285 WeakPolarHBondContact O-CB 3.19Å; L282-T285 PolarHBondContact O-N 3.1Å; L282-T285 PolarHBondContact O-OG1 3.04Å; L282-R306 VanDerWaalsContact CD2-NH2 3.33Å
283	E	77.1	Confident	91.5	Very high	77 Å²	77	41.2 Å²	41.2	36%	0.36	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.1	174.8	-70	174.1	-136.9	0	0	110.8	T285 R308	E283-T285 VanDerWaalsContact C-N 3.34Å; E283-T285 PolarHBondContact O-N 3.37Å; E283-R308 IonicContact OE2-CZ 3.69Å; E283-R308 IonicContact OE2-NE 3.62Å; E283-R308 IonicContact OE2-NH2 2.88Å; E283-R308 PolarHBondContact OE2-NH2 2.91Å
284	D	80.6	Confident	91.5	Very high	99 Å²	99	41.8 Å²	41.8	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	21.7	-178.7	-51.8	-42.1	0	0	0	114.7	P259 G260 L282 P287	P259-D284 HydrophobicContact CB-CB 4.2Å; G260-D284 PolarHBondContact N-O 2.78Å; L282-D284 PolarHBondContact O-N 2.9Å; L282-D284 VanDerWaalsContact O-N 3.15Å; D284-P287 HydrophobicContact CB-CG 4.19Å; D284-P287 WeakPolarHBondContact O-CD 3.49Å
285	T	86.4	Confident	91.5	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	23%	0.228	C	C	.	.	S	Bend	trans	-77.6	-46.3	-179.8	-50.3	0	0	0	0	112.4	V257 F262 L281 L282 E283	V257-T285 HydrophobicContact CB-CG2 4.21Å; V257-T285 HydrophobicContact CG1-CG2 3.83Å; F262-T285 WeakPolarHBondContact CD2-O 3.32Å; L281-T285 HydrophobicContact CD2-CG2 4.33Å; L282-T285 PolarHBondContact N-OG1 3.34Å; L282-T285 WeakPolarHBondContact O-CB 3.19Å; L282-T285 PolarHBondContact O-N 3.1Å; L282-T285 PolarHBondContact O-OG1 3.04Å; E283-T285 VanDerWaalsContact C-N 3.34Å; E283-T285 PolarHBondContact O-N 3.37Å
286	F	91.7	Very high	91.5	Very high	4 Å²	4	41 Å²	41	2%	0.018	22%	0.224	C	C	.	.	S	Bend	trans	-108.1	15.4	-177	-51.6	-65.6	0	0	0	117.5	F262 L271 L281 G288 L289 L295 L297 F310 L313	F262-F286 HydrophobicContact CD2-CD1 4.15Å; F262-F286 HydrophobicContact CD2-CE1 4.43Å; F262-F286 HydrophobicContact CE2-CD1 4.26Å; F262-F286 HydrophobicContact CE2-CE1 4.08Å; L271-F286 HydrophobicContact CD2-CD1 4.36Å; L271-F286 HydrophobicContact CD2-CE1 4.03Å; L281-F286 HydrophobicContact CD1-CE2 4.15Å; L281-F286 HydrophobicContact CD2-CE2 4Å; L281-F286 HydrophobicContact CD2-CZ 3.91Å; F286-G288 PolarHBondContact O-N 3.26Å; F286-L289 HydrophobicContact CB-CD1 4.15Å; F286-L289 HydrophobicContact CD1-CD1 3.91Å; F286-L289 PolarHBondContact O-N 2.93Å; F286-L295 HydrophobicContact CE1-CD1 4.09Å; F286-L295 HydrophobicContact CE1-CD2 4.26Å; F286-L295 HydrophobicContact CE2-CD2 4.13Å; F286-L295 HydrophobicContact CZ-CD1 4.29Å; F286-L295 HydrophobicContact CZ-CD2 3.99Å; F286-L297 HydrophobicContact CZ-CD1 4.18Å; F286-F310 HydrophobicContact CD2-CD1 4.36Å; F286-F310 HydrophobicContact CE2-CD1 4.44Å; F286-F310 HydrophobicContact CE2-CE1 4.15Å; F286-L313 HydrophobicContact CB-CD1 4.49Å; F286-L313 HydrophobicContact CB-CD2 4.14Å
287	P	89.6	Confident	91.5	Very high	34 Å²	34	40.4 Å²	40.4	22%	0.221	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	135.5	177.3	-29.6	33.9	0	0	0	113.8	D284 L289 D312	D284-P287 HydrophobicContact CB-CG 4.19Å; D284-P287 WeakPolarHBondContact O-CD 3.49Å; P287-L289 VanDerWaalsContact C-N 3.32Å; P287-L289 PolarHBondContact O-N 3.15Å; P287-D312 VanDerWaalsContact CA-OD2 3.31Å; P287-D312 WeakPolarHBondContact CA-OD2 3.5Å
288	G	85.3	Confident	91.5	Very high	24 Å²	24	33.7 Å²	33.7	25%	0.247	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	3.4	173.8	0	0	0	0	0	116.1	F286 L290 D312	F286-G288 PolarHBondContact O-N 3.26Å; G288-L290 PolarHBondContact O-N 3.12Å; G288-D312 PolarHBondContact N-OD2 3.23Å
289	L	94.1	Very high	91.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.			trans	-78.2	50.5	172.6	-67.3	-173.5	0	0	0	112.5	F262 L265 L268 L271 F286 P287 G291 L292 L313	F262-L289 HydrophobicContact CB-CD1 4.07Å; F262-L289 HydrophobicContact CB-CD2 3.98Å; F262-L289 HydrophobicContact CB-CG 4.23Å; F262-L289 HydrophobicContact CD2-CD1 4.41Å; F262-L289 HydrophobicContact CG-CD1 4.39Å; L265-L289 HydrophobicContact CB-CD2 3.96Å; L268-L289 HydrophobicContact CB-CD2 4.26Å; L268-L289 HydrophobicContact CD2-CD1 4.49Å; L268-L289 HydrophobicContact CD2-CD2 3.92Å; L271-L289 HydrophobicContact CD2-CD1 4.3Å; F286-L289 HydrophobicContact CB-CD1 4.15Å; F286-L289 HydrophobicContact CD1-CD1 3.91Å; F286-L289 PolarHBondContact O-N 2.93Å; P287-L289 VanDerWaalsContact C-N 3.32Å; P287-L289 PolarHBondContact O-N 3.15Å; L289-G291 PolarHBondContact O-N 3.34Å; L289-G291 VanDerWaalsContact O-N 3.11Å; L289-L292 HydrophobicContact CB-CB 4.17Å; L289-L292 HydrophobicContact CD1-CD2 4.14Å; L289-L292 WeakPolarHBondContact O-CB 3.3Å; L289-L292 PolarHBondContact O-N 3.17Å; L289-L292 VanDerWaalsContact O-N 3.15Å; L289-L313 HydrophobicContact CB-CD2 3.73Å
290	L	91.3	Very high	91.8	Very high	93 Å²	93	35 Å²	35	49%	0.487	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.2	-171.8	-56.6	177.4	0	0	0	114.1	G288 D312 F315	G288-L290 PolarHBondContact O-N 3.12Å; L290-D312 HydrophobicContact CD2-CB 4.2Å; L290-F315 WeakPolarHBondContact O-CD2 3.28Å
291	G	95.2	Very high	92.4	Very high	24 Å²	24	33.6 Å²	33.6	25%	0.247	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	1.4	178.9	0	0	0	0	0	114.6	L268 L289 R293	L268-G291 CarbonylContact O-C 3.43Å; L289-G291 PolarHBondContact O-N 3.34Å; L289-G291 VanDerWaalsContact O-N 3.11Å; G291-R293 PolarHBondContact O-N 2.9Å
292	L	98.1	Very high	92.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.			trans	-70.6	130.2	-171.4	-164.8	74.8	0	0	0	110.8	L268 L271 L289 L295 L313 F315 L316	L268-L292 HydrophobicContact CD2-CD1 4.06Å; L268-L292 HydrophobicContact CG-CD1 4.04Å; L268-L292 VanDerWaalsContact O-CA 3.29Å; L268-L292 WeakPolarHBondContact O-CA 3.36Å; L268-L292 PolarHBondContact O-N 2.94Å; L271-L292 HydrophobicContact CB-CD1 3.94Å; L289-L292 HydrophobicContact CB-CB 4.17Å; L289-L292 HydrophobicContact CD1-CD2 4.14Å; L289-L292 WeakPolarHBondContact O-CB 3.3Å; L289-L292 PolarHBondContact O-N 3.17Å; L289-L292 VanDerWaalsContact O-N 3.15Å; L292-L295 HydrophobicContact CD2-CB 3.96Å; L292-L295 HydrophobicContact CD2-CD1 4.37Å; L292-L295 HydrophobicContact CD2-CD2 4.48Å; L292-L313 HydrophobicContact CB-CD2 4.31Å; L292-L313 HydrophobicContact CD2-CD1 4.4Å; L292-L313 HydrophobicContact CD2-CD2 4.05Å; L292-F315 CarbonylContact O-C 3.56Å; L292-F315 VanDerWaalsContact O-C 3.22Å; L292-L316 HydrophobicContact CB-CD1 4.45Å; L292-L316 HydrophobicContact CD2-CD1 3.98Å; L292-L316 HydrophobicContact CG-CD1 4.03Å; L292-L316 WeakPolarHBondContact O-CA 3.35Å; L292-L316 PolarHBondContact O-N 3.29Å
293	R	98.6	Very high	93.7	Very high	97 Å²	97	32.6 Å²	32.6	37%	0.366	18%	0.18	S	C	.	.			trans	-109.7	-36.8	179.1	-65	-173.7	-175	-95.5	-8.3	112.3	R269 G291 L316 E317 E318	R269-R293 PolarHBondContact O-N 3.18Å; G291-R293 PolarHBondContact O-N 2.9Å; R293-L316 WeakPolarHBondContact O-CD1 3.4Å; R293-E317 HydrophobicContact CB-CG 4.5Å; R293-E317 IonicContact CZ-OE1 2.62Å; R293-E317 IonicContact NH1-OE1 3.96Å; R293-E317 PolarHBondContact NH1-OE1 3.19Å; R293-E317 PolarHBondContact O-N 2.97Å; R293-E318 PolarHBondContact O-N 3.1Å
294	V	98.9	Very high	94.5	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.8	-177	-178.8	0	0	0	0	110	R269 W270 L271 R296 E318	R269-V294 PolarHBondContact O-N 2.94Å; W270-V294 HydrophobicContact CD2-CB 3.92Å; W270-V294 HydrophobicContact CD2-CG1 3.91Å; W270-V294 HydrophobicContact CD2-CG2 4.43Å; W270-V294 HydrophobicContact CE3-CB 3.57Å; W270-V294 HydrophobicContact CE3-CG1 3.76Å; W270-V294 HydrophobicContact CE3-CG2 3.58Å; W270-V294 HydrophobicContact CG-CB 4.44Å; W270-V294 HydrophobicContact CH2-CG1 4.05Å; W270-V294 HydrophobicContact CZ2-CG1 4.18Å; W270-V294 HydrophobicContact CZ3-CB 4Å; W270-V294 HydrophobicContact CZ3-CG1 3.83Å; W270-V294 HydrophobicContact CZ3-CG2 3.71Å; L271-V294 PolarHBondContact N-O 2.9Å; V294-R296 HydrophobicContact CG1-CG 4.02Å; V294-E318 HydrophobicContact CG1-CB 4.27Å; V294-E318 HydrophobicContact CG1-CG 4.38Å; V294-E318 HydrophobicContact CG2-CB 4.16Å
295	L	98.8	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113.5	173.8	178.9	56.4	0	0	0	109.8	L271 F286 L292 L297 F310 L313 L316 E318 L319 Q320	L271-L295 HydrophobicContact CB-CD1 4.14Å; L271-L295 HydrophobicContact CD2-CD1 3.91Å; L271-L295 HydrophobicContact CG-CD1 4.05Å; F286-L295 HydrophobicContact CE1-CD1 4.09Å; F286-L295 HydrophobicContact CE1-CD2 4.26Å; F286-L295 HydrophobicContact CE2-CD2 4.13Å; F286-L295 HydrophobicContact CZ-CD1 4.29Å; F286-L295 HydrophobicContact CZ-CD2 3.99Å; L292-L295 HydrophobicContact CD2-CB 3.96Å; L292-L295 HydrophobicContact CD2-CD1 4.37Å; L292-L295 HydrophobicContact CD2-CD2 4.48Å; L295-L297 HydrophobicContact CD1-CD1 4.18Å; L295-L297 HydrophobicContact CD1-CG 4.17Å; L295-L297 HydrophobicContact CD2-CD1 3.91Å; L295-L297 HydrophobicContact CG-CD1 3.89Å; L295-L297 HydrophobicContact CG-CG 4.22Å; L295-F310 HydrophobicContact CD2-CD1 4.34Å; L295-F310 HydrophobicContact CD2-CE1 4.12Å; L295-L313 HydrophobicContact CD2-CD1 3.79Å; L295-L316 HydrophobicContact CB-CD1 3.8Å; L295-L316 HydrophobicContact CB-CD2 4.33Å; L295-E318 PolarHBondContact N-O 3.35Å; L295-L319 HydrophobicContact CB-CD1 4.16Å; L295-L319 HydrophobicContact CD2-CD1 3.97Å; L295-L319 HydrophobicContact CG-CD1 4.06Å; L295-Q320 PolarHBondContact O-N 3.5Å
296	R	98.9	Very high	95	Very high	61 Å²	61	32.8 Å²	32.8	23%	0.23	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.5	178.5	-63.6	-176.6	173.5	179	-2.9	111.1	L271 D272 L273 S274 V294 E318 Q320	L271-R296 PolarHBondContact O-N 2.79Å; D272-R296 HydrophobicContact CB-CB 4.43Å; D272-R296 WeakPolarHBondContact OD2-CD 3.21Å; L273-R296 CarbonylContact C-O 3.29Å; L273-R296 WeakPolarHBondContact CA-O 3.39Å; L273-R296 PolarHBondContact N-O 3.45Å; S274-R296 PolarHBondContact N-O 3.43Å; V294-R296 HydrophobicContact CG1-CG 4.02Å; R296-E318 IonicContact CZ-OE1 3.49Å; R296-E318 IonicContact NE-OE1 2.64Å; R296-E318 PolarHBondContact NE-OE1 3.04Å; R296-E318 IonicContact NH2-OE1 3.73Å; R296-E318 PolarHBondContact NH2-OE1 2.95Å; R296-Q320 HydrophobicContact CG-CB 4.29Å; R296-Q320 HydrophobicContact CG-CG 4.01Å
297	L	98.6	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.			trans	-129.9	13.1	-179.1	-72.7	161.5	0	0	0	111.5	L273 L281 F286 L295 N300 I302 Q320 L321 N324	L273-L297 HydrophobicContact CB-CD2 3.81Å; L273-L297 HydrophobicContact CD1-CD2 3.94Å; L281-L297 HydrophobicContact CD1-CD1 3.99Å; L281-L297 HydrophobicContact CD2-CD2 4.46Å; F286-L297 HydrophobicContact CZ-CD1 4.18Å; L295-L297 HydrophobicContact CD1-CD1 4.18Å; L295-L297 HydrophobicContact CD1-CG 4.17Å; L295-L297 HydrophobicContact CD2-CD1 3.91Å; L295-L297 HydrophobicContact CG-CD1 3.89Å; L295-L297 HydrophobicContact CG-CG 4.22Å; L297-N300 PolarHBondContact O-ND2 3.01Å; L297-I302 HydrophobicContact CB-CD1 4.09Å; L297-I302 HydrophobicContact CD1-CD1 4.45Å; L297-I302 HydrophobicContact CD2-CD1 4.36Å; L297-Q320 CarbonylContact C-O 3.09Å; L297-Q320 WeakPolarHBondContact CA-O 3.34Å; L297-Q320 WeakPolarHBondContact CB-O 3.43Å; L297-Q320 PolarHBondContact N-O 3.24Å; L297-L321 HydrophobicContact CB-CD2 3.9Å; L297-L321 HydrophobicContact CD1-CD2 3.95Å; L297-N324 PolarHBondContact O-ND2 2.95Å
298	S	98.6	Very high	94.3	Very high	11 Å²	11	40.3 Å²	40.3	8%	0.077	21%	0.213	C	C	.	.			trans	-61.1	153.4	-179.3	-54.2	0	0	0	0	112.7	S274 H275 N300 Q320 G322	S274-S298 CarbonylContact C-O 3.13Å; S274-S298 WeakPolarHBondContact CA-O 3.48Å; S274-S298 WeakPolarHBondContact CB-O 3.24Å; H275-S298 PolarHBondContact N-O 3.35Å; S298-N300 PolarHBondContact O-ND2 2.85Å; S298-Q320 PolarHBondContact N-O 2.76Å; S298-Q320 VanDerWaalsContact OG-CB 3.26Å; S298-Q320 WeakPolarHBondContact OG-CB 3.48Å; S298-G322 CarbonylContact C-O 3.18Å; S298-G322 WeakPolarHBondContact CA-O 3.45Å; S298-G322 WeakPolarHBondContact CB-O 3.43Å
299	H	98.7	Very high	94.5	Very high	70 Å²	70	39.3 Å²	39.3	32%	0.324	20%	0.202	S	C	.	.	S	Bend	trans	55.1	54.1	-178.8	-60.8	-83.9	0	0	0	112.9	H275 N276 G322 H323	H275-H299 CarbonylContact C-O 3.12Å; H275-H299 WeakPolarHBondContact CA-O 3.35Å; H275-H299 HydrophobicContact CB-CB 4.42Å; H275-H299 AromaticContact CE1-CD2 3.17Å; H275-H299 PolarHBondContact CE1-CD2 3Å; H275-H299 AromaticContact CE1-CG 3.39Å; H275-H299 AromaticContact CE1-ND1 3.9Å; H275-H299 AromaticContact CE1-NE2 3.6Å; H275-H299 PolarHBondContact N-O 3.03Å; H275-H299 WeakPolarHBondContact ND1-CB 3.15Å; H275-H299 AromaticContact ND1-CD2 3.77Å; H275-H299 AromaticContact ND1-CG 3.55Å; H275-H299 AromaticContact NE2-CD2 3.45Å; H275-H299 PolarHBondContact NE2-CD2 3.01Å; N276-H299 PolarHBondContact N-O 2.94Å; H299-G322 PolarHBondContact N-O 3.28Å; H299-H323 VanDerWaalsContact CA-O 3.25Å; H299-H323 WeakPolarHBondContact CA-O 3.46Å; H299-H323 HydrophobicContact CB-CB 4.42Å; H299-H323 AromaticContact CE1-CD2 3.27Å; H299-H323 PolarHBondContact CE1-CD2 2.95Å; H299-H323 AromaticContact CE1-CE1 3.96Å; H299-H323 AromaticContact CE1-CG 3.25Å; H299-H323 AromaticContact CE1-ND1 3.7Å; H299-H323 AromaticContact CE1-NE2 3.72Å; H299-H323 PolarHBondContact N-O 2.8Å; H299-H323 WeakPolarHBondContact ND1-CB 3.12Å; H299-H323 AromaticContact ND1-CD2 3.98Å; H299-H323 AromaticContact ND1-CG 3.56Å; H299-H323 AromaticContact NE2-CD2 3.39Å; H299-H323 PolarHBondContact NE2-CD2 3.04Å; H299-H323 AromaticContact NE2-CG 3.79Å; H299-H323 AromaticContact NE2-NE2 3.96Å
300	N	98.7	Very high	94.4	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.07	20%	0.202	C	C	.	.	S	Bend	trans	-122	-162.8	172.5	-87.6	-75.5	0	0	0	110.1	L273 N276 R277 V278 L297 S298 I302 H323 N324	L273-N300 PolarHBondContact O-ND2 2.85Å; N276-N300 VanDerWaalsContact CA-OD1 3.31Å; N276-N300 WeakPolarHBondContact CA-OD1 3.49Å; N276-N300 WeakPolarHBondContact CB-OD1 3.44Å; N276-N300 PolarHBondContact O-OD1 3.03Å; R277-N300 PolarHBondContact N-OD1 3Å; V278-N300 HydrophobicContact CB-CB 4.31Å; V278-N300 WeakPolarHBondContact CB-OD1 3.25Å; V278-N300 WeakPolarHBondContact CG2-OD1 3.23Å; V278-N300 PolarHBondContact N-OD1 3.36Å; L297-N300 PolarHBondContact O-ND2 3.01Å; S298-N300 PolarHBondContact O-ND2 2.85Å; N300-I302 HydrophobicContact CB-CD1 4.37Å; N300-I302 HydrophobicContact CB-CG1 4.13Å; N300-H323 PolarHBondContact N-O 3.3Å; N300-N324 VanDerWaalsContact CA-OD1 3.3Å; N300-N324 WeakPolarHBondContact CA-OD1 3.38Å; N300-N324 WeakPolarHBondContact CB-OD1 3.38Å; N300-N324 PolarHBondContact N-OD1 3.45Å; N300-N324 PolarHBondContact O-OD1 3.45Å
301	A	97.7	Very high	94.2	Very high	13 Å²	13	39.8 Å²	39.8	11%	0.107	20%	0.202	C	C	.	.			trans	-116.9	21.8	-179.9	0	0	0	0	0	112.5	V278 A279 A303 N324	V278-A301 CarbonylContact O-C 3.23Å; V278-A301 VanDerWaalsContact O-C 3.23Å; V278-A301 WeakPolarHBondContact O-CA 3.14Å; V278-A301 PolarHBondContact O-N 2.64Å; A279-A301 WeakPolarHBondContact CA-O 3.33Å; A279-A301 HydrophobicContact CB-CB 4.23Å; A301-A303 PolarHBondContact O-N 2.88Å; A301-N324 PolarHBondContact N-OD1 3.08Å
302	I	96.9	Very high	94	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.			trans	-65.5	118.8	-172.8	-56	172.4	0	0	0	109.2	V278 L281 L297 N300 L305 L321 N324 R325 I326	V278-I302 HydrophobicContact CG1-CG1 4.42Å; V278-I302 WeakPolarHBondContact O-CG1 3.08Å; V278-I302 PolarHBondContact O-N 3.42Å; V278-I302 VanDerWaalsContact O-N 3.14Å; L281-I302 HydrophobicContact CD1-CD1 4.01Å; L281-I302 HydrophobicContact CG-CD1 4.21Å; L297-I302 HydrophobicContact CB-CD1 4.09Å; L297-I302 HydrophobicContact CD1-CD1 4.45Å; L297-I302 HydrophobicContact CD2-CD1 4.36Å; N300-I302 HydrophobicContact CB-CD1 4.37Å; N300-I302 HydrophobicContact CB-CG1 4.13Å; I302-L305 HydrophobicContact CG2-CD2 4.27Å; I302-L321 HydrophobicContact CD1-CD2 4.11Å; I302-N324 HydrophobicContact CB-CB 4.27Å; I302-N324 WeakPolarHBondContact CB-OD1 3.35Å; I302-N324 WeakPolarHBondContact CG1-OD1 3.44Å; I302-N324 PolarHBondContact N-OD1 3.16Å; I302-R325 CarbonylContact O-C 3.15Å; I302-R325 VanDerWaalsContact O-CA 3.3Å; I302-R325 WeakPolarHBondContact O-CA 3.46Å; I302-R325 PolarHBondContact O-N 3.36Å; I302-I326 HydrophobicContact CG2-CG1 4.33Å; I302-I326 WeakPolarHBondContact O-CG1 3.28Å; I302-I326 PolarHBondContact O-N 3.06Å; I302-I326 VanDerWaalsContact O-N 3.12Å
303	A	94.9	Very high	93.8	Very high	47 Å²	47	41.3 Å²	41.3	39%	0.388	20%	0.204	S	C	.	.			trans	-97.7	-22.1	-174.4	0	0	0	0	0	114.4	A301 R325 I326 R327	A301-A303 PolarHBondContact O-N 2.88Å; A303-R325 WeakPolarHBondContact CA-O 3.1Å; A303-I326 WeakPolarHBondContact O-CA 3.28Å; A303-R327 PolarHBondContact O-N 3.48Å
304	S	92	Very high	93.6	Very high	62 Å²	62	40.9 Å²	40.9	43%	0.434	21%	0.206	S	C	.	.			trans	-155.4	154	179.8	58.7	0	0	0	0	111.4
305	L	92	Very high	93.5	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.068	23%	0.226	C	C	.	.			trans	-105.7	121.4	170.2	-56.9	178	0	0	0	107.5	I302 F310 L321 I326 L329 F334	I302-L305 HydrophobicContact CG2-CD2 4.27Å; L305-F310 HydrophobicContact CD1-CE2 4.37Å; L305-F310 HydrophobicContact CD2-CE2 4.21Å; L305-F310 HydrophobicContact CD2-CZ 4.14Å; L305-L321 HydrophobicContact CD1-CD1 4.05Å; L305-L321 HydrophobicContact CD2-CD1 4.26Å; L305-L321 HydrophobicContact CD2-CD2 4.47Å; L305-I326 HydrophobicContact CD1-CD1 4.27Å; L305-I326 HydrophobicContact CD2-CD1 4.13Å; L305-I326 HydrophobicContact CG-CD1 4.14Å; L305-L329 HydrophobicContact CD1-CD2 4.04Å; L305-F334 HydrophobicContact CD1-CE1 3.78Å; L305-F334 HydrophobicContact CD1-CZ 3.81Å
306	R	86.1	Confident	93.5	Very high	110 Å²	110	45.6 Å²	45.6	42%	0.415	23%	0.226	S	C	.	.			trans	-81.7	152.3	174.9	-61.3	-174.5	-160.4	176.3	5.9	109.5	L282 T309	L282-R306 VanDerWaalsContact CD2-NH2 3.33Å; R306-T309 PolarHBondContact N-OG1 3.27Å; R306-T309 WeakPolarHBondContact O-CB 3.43Å; R306-T309 PolarHBondContact O-N 3.33Å; R306-T309 PolarHBondContact O-OG1 3.16Å
307	P	81.8	Confident	93.5	Very high	71 Å²	71	45.7 Å²	45.7	46%	0.461	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	145.2	169.1	-24.9	34.7	0	0	0	110.9	T309	P307-T309 PolarHBondContact O-N 3.12Å; P307-T309 VanDerWaalsContact O-N 3.08Å
308	R	85.1	Confident	93.5	Very high	125 Å²	125	47.5 Å²	47.5	47%	0.472	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	8.4	178	-55.6	-177.1	-59.4	-111.3	-3.6	116.8	E283 F310 E311	E283-R308 IonicContact OE2-CZ 3.69Å; E283-R308 IonicContact OE2-NE 3.62Å; E283-R308 IonicContact OE2-NH2 2.88Å; E283-R308 PolarHBondContact OE2-NH2 2.91Å; R308-F310 PolarHBondContact O-N 3.18Å; R308-E311 HydrophobicContact CB-CB 4.06Å; R308-E311 WeakPolarHBondContact CD-OE2 3.29Å; R308-E311 WeakPolarHBondContact O-CB 3.39Å; R308-E311 PolarHBondContact O-N 2.8Å; R308-E311 VanDerWaalsContact O-N 3.13Å
309	T	89.2	Confident	93.5	Very high	3 Å²	3	47 Å²	47	2%	0.018	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.7	175.8	-59.6	0	0	0	0	112.9	L281 R306 P307	L281-T309 HydrophobicContact CB-CG2 3.68Å; L281-T309 HydrophobicContact CD1-CG2 3.97Å; L281-T309 HydrophobicContact CG-CG2 4.49Å; R306-T309 PolarHBondContact N-OG1 3.27Å; R306-T309 WeakPolarHBondContact O-CB 3.43Å; R306-T309 PolarHBondContact O-N 3.33Å; R306-T309 PolarHBondContact O-OG1 3.16Å; P307-T309 PolarHBondContact O-N 3.12Å; P307-T309 VanDerWaalsContact O-N 3.08Å
310	F	92.3	Very high	93.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	16	-177	-51.4	-63.5	0	0	0	113.8	L281 F286 L295 L305 R308 D312 L313 L319 L321 F334 L337	L281-F310 HydrophobicContact CD1-CE1 4.3Å; L281-F310 HydrophobicContact CD1-CZ 4.26Å; F286-F310 HydrophobicContact CD2-CD1 4.36Å; F286-F310 HydrophobicContact CE2-CD1 4.44Å; F286-F310 HydrophobicContact CE2-CE1 4.15Å; L295-F310 HydrophobicContact CD2-CD1 4.34Å; L295-F310 HydrophobicContact CD2-CE1 4.12Å; L305-F310 HydrophobicContact CD1-CE2 4.37Å; L305-F310 HydrophobicContact CD2-CE2 4.21Å; L305-F310 HydrophobicContact CD2-CZ 4.14Å; R308-F310 PolarHBondContact O-N 3.18Å; F310-D312 VanDerWaalsContact C-N 3.3Å; F310-D312 PolarHBondContact O-N 3.11Å; F310-L313 HydrophobicContact CB-CD1 4.13Å; F310-L313 HydrophobicContact CB-CG 4.45Å; F310-L313 HydrophobicContact CD1-CD1 3.8Å; F310-L313 HydrophobicContact CG-CD1 4.43Å; F310-L313 WeakPolarHBondContact O-CB 3.27Å; F310-L313 PolarHBondContact O-N 3.15Å; F310-L319 HydrophobicContact CD2-CD2 4.36Å; F310-L319 HydrophobicContact CE1-CD1 4.28Å; F310-L319 HydrophobicContact CE1-CD2 4.46Å; F310-L319 HydrophobicContact CE2-CD2 4.05Å; F310-L319 HydrophobicContact CZ-CD1 4.4Å; F310-L319 HydrophobicContact CZ-CD2 4.1Å; F310-L321 HydrophobicContact CZ-CD1 4.24Å; F310-F334 HydrophobicContact CD2-CD1 4.43Å; F310-F334 HydrophobicContact CE2-CD1 4.39Å; F310-F334 HydrophobicContact CE2-CE1 4.43Å; F310-L337 HydrophobicContact CB-CD1 4.07Å; F310-L337 HydrophobicContact CB-CD2 3.89Å; F310-L337 HydrophobicContact CB-CG 4.1Å; F310-L337 HydrophobicContact CD2-CD1 4.23Å; F310-L337 HydrophobicContact CG-CD1 4.29Å
311	E	87.9	Confident	93.5	Very high	101 Å²	101	45.1 Å²	45.1	47%	0.472	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-42.6	-169.9	-177.5	173.2	-157.2	0	0	113.1	R308 L313 H314	R308-E311 HydrophobicContact CB-CB 4.06Å; R308-E311 WeakPolarHBondContact CD-OE2 3.29Å; R308-E311 WeakPolarHBondContact O-CB 3.39Å; R308-E311 PolarHBondContact O-N 2.8Å; R308-E311 VanDerWaalsContact O-N 3.13Å; E311-L313 VanDerWaalsContact C-N 3.3Å; E311-L313 PolarHBondContact O-N 3.14Å; E311-H314 PolarHBondContact O-CE1 3.34Å; E311-H314 PolarHBondContact O-ND1 3.36Å; E311-H314 PolarHBondContact O-NE2 3.19Å
312	D	89.8	Confident	93.5	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.294	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.5	-178.3	-84	-7.1	0	0	0	114.6	P287 G288 L290 F310 H314	P287-D312 VanDerWaalsContact CA-OD2 3.31Å; P287-D312 WeakPolarHBondContact CA-OD2 3.5Å; G288-D312 PolarHBondContact N-OD2 3.23Å; L290-D312 HydrophobicContact CD2-CB 4.2Å; F310-D312 VanDerWaalsContact C-N 3.3Å; F310-D312 PolarHBondContact O-N 3.11Å; D312-H314 VanDerWaalsContact C-ND1 3.31Å; D312-H314 PolarHBondContact O-N 3.39Å; D312-H314 PolarHBondContact O-ND1 3.11Å
313	L	94.8	Very high	93.6	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.236	C	C	.	.			trans	-85.6	47.2	-170.4	-54	-173.3	0	0	0	113	F286 L289 L292 L295 F310 E311 F315 L316 L337	F286-L313 HydrophobicContact CB-CD1 4.49Å; F286-L313 HydrophobicContact CB-CD2 4.14Å; L289-L313 HydrophobicContact CB-CD2 3.73Å; L292-L313 HydrophobicContact CB-CD2 4.31Å; L292-L313 HydrophobicContact CD2-CD1 4.4Å; L292-L313 HydrophobicContact CD2-CD2 4.05Å; L295-L313 HydrophobicContact CD2-CD1 3.79Å; F310-L313 HydrophobicContact CB-CD1 4.13Å; F310-L313 HydrophobicContact CB-CG 4.45Å; F310-L313 HydrophobicContact CD1-CD1 3.8Å; F310-L313 HydrophobicContact CG-CD1 4.43Å; F310-L313 WeakPolarHBondContact O-CB 3.27Å; F310-L313 PolarHBondContact O-N 3.15Å; E311-L313 VanDerWaalsContact C-N 3.3Å; E311-L313 PolarHBondContact O-N 3.14Å; L313-F315 PolarHBondContact O-N 3.49Å; L313-F315 VanDerWaalsContact O-N 3.1Å; L313-L316 HydrophobicContact CB-CB 4.11Å; L313-L316 HydrophobicContact CB-CD2 4.4Å; L313-L316 HydrophobicContact CD1-CD2 4.11Å; L313-L316 VanDerWaalsContact O-CB 3.26Å; L313-L316 WeakPolarHBondContact O-CB 3.36Å; L313-L316 PolarHBondContact O-N 3.47Å; L313-L316 VanDerWaalsContact O-N 3.08Å; L313-L337 HydrophobicContact CB-CD2 3.78Å; L313-L337 WeakPolarHBondContact O-CD2 3.18Å
314	H	94.1	Very high	93.8	Very high	88 Å²	88	46.1 Å²	46.1	41%	0.407	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.6	-171.8	-59.8	89	0	0	0	115.3	E311 D312 Q339	E311-H314 PolarHBondContact O-CE1 3.34Å; E311-H314 PolarHBondContact O-ND1 3.36Å; E311-H314 PolarHBondContact O-NE2 3.19Å; D312-H314 VanDerWaalsContact C-ND1 3.31Å; D312-H314 PolarHBondContact O-N 3.39Å; D312-H314 PolarHBondContact O-ND1 3.11Å; H314-Q339 VanDerWaalsContact O-CG 3.24Å; H314-Q339 WeakPolarHBondContact O-CG 3.5Å
315	F	97	Very high	94.1	Very high	111 Å²	111	49.8 Å²	49.8	49%	0.487	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	11.6	-179.2	-66.5	-87.9	0	0	0	113.2	L290 L292 L313 E317	L290-F315 WeakPolarHBondContact O-CD2 3.28Å; L292-F315 CarbonylContact O-C 3.56Å; L292-F315 VanDerWaalsContact O-C 3.22Å; L313-F315 PolarHBondContact O-N 3.49Å; L313-F315 VanDerWaalsContact O-N 3.1Å; F315-E317 PolarHBondContact O-N 3.46Å
316	L	98.3	Very high	94.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.221	C	C	.	.			trans	-67.3	128.5	179.1	-161.9	73.7	0	0	0	109.9	L292 R293 L295 L313 L319 L337 Q339 L340	L292-L316 HydrophobicContact CB-CD1 4.45Å; L292-L316 HydrophobicContact CD2-CD1 3.98Å; L292-L316 HydrophobicContact CG-CD1 4.03Å; L292-L316 WeakPolarHBondContact O-CA 3.35Å; L292-L316 PolarHBondContact O-N 3.29Å; R293-L316 WeakPolarHBondContact O-CD1 3.4Å; L295-L316 HydrophobicContact CB-CD1 3.8Å; L295-L316 HydrophobicContact CB-CD2 4.33Å; L313-L316 HydrophobicContact CB-CB 4.11Å; L313-L316 HydrophobicContact CB-CD2 4.4Å; L313-L316 HydrophobicContact CD1-CD2 4.11Å; L313-L316 VanDerWaalsContact O-CB 3.26Å; L313-L316 WeakPolarHBondContact O-CB 3.36Å; L313-L316 PolarHBondContact O-N 3.47Å; L313-L316 VanDerWaalsContact O-N 3.08Å; L316-L319 HydrophobicContact CD2-CB 3.88Å; L316-L319 HydrophobicContact CD2-CD1 4.3Å; L316-L319 HydrophobicContact CD2-CD2 4.49Å; L316-L319 HydrophobicContact CD2-CG 4.45Å; L316-L337 HydrophobicContact CB-CD2 4.06Å; L316-L337 HydrophobicContact CD2-CD1 4.41Å; L316-L337 HydrophobicContact CD2-CD2 3.94Å; L316-Q339 CarbonylContact O-C 3.45Å; L316-L340 HydrophobicContact CB-CD1 4.37Å; L316-L340 HydrophobicContact CD2-CD1 4Å; L316-L340 HydrophobicContact CG-CD1 4.03Å; L316-L340 WeakPolarHBondContact O-CA 3.14Å; L316-L340 PolarHBondContact O-N 3.33Å
317	E	98.7	Very high	94.8	Very high	63 Å²	63	51.3 Å²	51.3	29%	0.294	23%	0.229	S	C	.	.			trans	-105.1	-35.2	-179.8	-67.1	169.3	176.3	0	0	110.8	R293 F315 E341 V342	R293-E317 HydrophobicContact CB-CG 4.5Å; R293-E317 IonicContact CZ-OE1 2.62Å; R293-E317 IonicContact NH1-OE1 3.96Å; R293-E317 PolarHBondContact NH1-OE1 3.19Å; R293-E317 PolarHBondContact O-N 2.97Å; F315-E317 PolarHBondContact O-N 3.46Å; E317-E341 PolarHBondContact O-N 3.2Å; E317-V342 PolarHBondContact O-N 2.84Å
318	E	98.9	Very high	95.4	Very high	39 Å²	39	53.1 Å²	53.1	18%	0.182	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.1	-178.6	-176.8	-178.3	130.6	0	0	111	R293 V294 L295 R296 Q320 V342	R293-E318 PolarHBondContact O-N 3.1Å; V294-E318 HydrophobicContact CG1-CB 4.27Å; V294-E318 HydrophobicContact CG1-CG 4.38Å; V294-E318 HydrophobicContact CG2-CB 4.16Å; L295-E318 PolarHBondContact N-O 3.35Å; R296-E318 IonicContact CZ-OE1 3.49Å; R296-E318 IonicContact NE-OE1 2.64Å; R296-E318 PolarHBondContact NE-OE1 3.04Å; R296-E318 IonicContact NH2-OE1 3.73Å; R296-E318 PolarHBondContact NH2-OE1 2.95Å; E318-Q320 HydrophobicContact CG-CG 4.03Å; E318-Q320 PolarHBondContact OE1-NE2 2.88Å; E318-V342 HydrophobicContact CG-CB 4.28Å; E318-V342 HydrophobicContact CG-CG1 4.42Å
319	L	98.8	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.8	172.5	178.7	56.3	0	0	0	109.3	L295 F310 L316 L321 F334 L337 L340 V342 L343 T344	L295-L319 HydrophobicContact CB-CD1 4.16Å; L295-L319 HydrophobicContact CD2-CD1 3.97Å; L295-L319 HydrophobicContact CG-CD1 4.06Å; F310-L319 HydrophobicContact CD2-CD2 4.36Å; F310-L319 HydrophobicContact CE1-CD1 4.28Å; F310-L319 HydrophobicContact CE1-CD2 4.46Å; F310-L319 HydrophobicContact CE2-CD2 4.05Å; F310-L319 HydrophobicContact CZ-CD1 4.4Å; F310-L319 HydrophobicContact CZ-CD2 4.1Å; L316-L319 HydrophobicContact CD2-CB 3.88Å; L316-L319 HydrophobicContact CD2-CD1 4.3Å; L316-L319 HydrophobicContact CD2-CD2 4.49Å; L316-L319 HydrophobicContact CD2-CG 4.45Å; L319-L321 HydrophobicContact CD1-CD1 4.26Å; L319-L321 HydrophobicContact CD1-CG 4.11Å; L319-L321 HydrophobicContact CD2-CD1 3.88Å; L319-L321 HydrophobicContact CG-CD1 3.96Å; L319-L321 HydrophobicContact CG-CG 4.14Å; L319-F334 HydrophobicContact CD2-CD1 4.16Å; L319-F334 HydrophobicContact CD2-CE1 4.17Å; L319-L337 HydrophobicContact CD2-CD1 3.77Å; L319-L340 HydrophobicContact CB-CD1 3.72Å; L319-L340 HydrophobicContact CB-CD2 4.25Å; L319-V342 PolarHBondContact N-O 2.83Å; L319-L343 HydrophobicContact CB-CD1 4.19Å; L319-L343 HydrophobicContact CD2-CD1 4.02Å; L319-L343 HydrophobicContact CG-CD1 4.12Å; L319-T344 PolarHBondContact O-N 3.5Å; L319-T344 VanDerWaalsContact O-N 3.07Å
320	Q	98.8	Very high	96.1	Very high	44 Å²	44	48.7 Å²	48.7	21%	0.206	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.4	175.9	-50.3	-171	-8.2	0	0	112.5	L295 R296 L297 S298 E318 T344	L295-Q320 PolarHBondContact O-N 3.5Å; R296-Q320 HydrophobicContact CG-CB 4.29Å; R296-Q320 HydrophobicContact CG-CG 4.01Å; L297-Q320 CarbonylContact C-O 3.09Å; L297-Q320 WeakPolarHBondContact CA-O 3.34Å; L297-Q320 WeakPolarHBondContact CB-O 3.43Å; L297-Q320 PolarHBondContact N-O 3.24Å; S298-Q320 PolarHBondContact N-O 2.76Å; S298-Q320 VanDerWaalsContact OG-CB 3.26Å; S298-Q320 WeakPolarHBondContact OG-CB 3.48Å; E318-Q320 HydrophobicContact CG-CG 4.03Å; E318-Q320 PolarHBondContact OE1-NE2 2.88Å; Q320-T344 WeakPolarHBondContact CA-OG1 3.46Å; Q320-T344 WeakPolarHBondContact CB-OG1 3.13Å
321	L	98.5	Very high	96.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.248	C	C	.	.			trans	-125	12	179.2	-71.2	164.9	0	0	0	112	L297 I302 L305 F310 L319 N324 I326 F334 T344 L345 N348	L297-L321 HydrophobicContact CB-CD2 3.9Å; L297-L321 HydrophobicContact CD1-CD2 3.95Å; I302-L321 HydrophobicContact CD1-CD2 4.11Å; L305-L321 HydrophobicContact CD1-CD1 4.05Å; L305-L321 HydrophobicContact CD2-CD1 4.26Å; L305-L321 HydrophobicContact CD2-CD2 4.47Å; F310-L321 HydrophobicContact CZ-CD1 4.24Å; L319-L321 HydrophobicContact CD1-CD1 4.26Å; L319-L321 HydrophobicContact CD1-CG 4.11Å; L319-L321 HydrophobicContact CD2-CD1 3.88Å; L319-L321 HydrophobicContact CG-CD1 3.96Å; L319-L321 HydrophobicContact CG-CG 4.14Å; L321-N324 PolarHBondContact O-ND2 3.47Å; L321-I326 HydrophobicContact CB-CD1 4.23Å; L321-F334 HydrophobicContact CD1-CE1 4.22Å; L321-T344 CarbonylContact C-O 3.06Å; L321-T344 WeakPolarHBondContact CA-O 3.38Å; L321-T344 WeakPolarHBondContact CB-O 3.39Å; L321-T344 PolarHBondContact N-O 3.17Å; L321-L345 HydrophobicContact CB-CD2 3.84Å; L321-L345 HydrophobicContact CD1-CD2 3.98Å; L321-N348 PolarHBondContact O-ND2 2.69Å
322	G	98.5	Very high	96.3	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.01	25%	0.249	C	C	.	.			trans	-59.4	156.5	179.8	0	0	0	0	0	113.4	S298 H299 N324 T344 D346	S298-G322 CarbonylContact C-O 3.18Å; S298-G322 WeakPolarHBondContact CA-O 3.45Å; S298-G322 WeakPolarHBondContact CB-O 3.43Å; H299-G322 PolarHBondContact N-O 3.28Å; G322-N324 VanDerWaalsContact C-N 3.34Å; G322-N324 PolarHBondContact O-N 2.87Å; G322-N324 PolarHBondContact O-ND2 2.93Å; G322-T344 PolarHBondContact N-O 3.49Å; G322-D346 CarbonylContact C-O 3.45Å; G322-D346 WeakPolarHBondContact CA-O 3.4Å
323	H	98.6	Very high	96.5	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.329	24%	0.236	S	C	.	.	S	Bend	trans	53	46.4	-179.9	-62.6	-84.1	0	0	0	113.9	H299 N300 D346 H347	H299-H323 VanDerWaalsContact CA-O 3.25Å; H299-H323 WeakPolarHBondContact CA-O 3.46Å; H299-H323 HydrophobicContact CB-CB 4.42Å; H299-H323 AromaticContact CE1-CD2 3.27Å; H299-H323 PolarHBondContact CE1-CD2 2.95Å; H299-H323 AromaticContact CE1-CE1 3.96Å; H299-H323 AromaticContact CE1-CG 3.25Å; H299-H323 AromaticContact CE1-ND1 3.7Å; H299-H323 AromaticContact CE1-NE2 3.72Å; H299-H323 PolarHBondContact N-O 2.8Å; H299-H323 WeakPolarHBondContact ND1-CB 3.12Å; H299-H323 AromaticContact ND1-CD2 3.98Å; H299-H323 AromaticContact ND1-CG 3.56Å; H299-H323 AromaticContact NE2-CD2 3.39Å; H299-H323 PolarHBondContact NE2-CD2 3.04Å; H299-H323 AromaticContact NE2-CG 3.79Å; H299-H323 AromaticContact NE2-NE2 3.96Å; N300-H323 PolarHBondContact N-O 3.3Å; H323-D346 IonicContact CD2-OD2 3.59Å; H323-D346 PolarHBondContact N-O 3.01Å; H323-D346 IonicContact NE2-OD2 3.68Å; H323-H347 VanDerWaalsContact CA-O 3.31Å; H323-H347 WeakPolarHBondContact CA-O 3.41Å; H323-H347 VanDerWaalsContact CE1-CB 3.49Å; H323-H347 WeakPolarHBondContact CE1-CB 2.96Å; H323-H347 AromaticContact CE1-CD2 3.99Å; H323-H347 AromaticContact CE1-CG 3.37Å; H323-H347 AromaticContact CE1-ND1 3.48Å; H323-H347 PolarHBondContact CE1-ND1 2.98Å; H323-H347 VanDerWaalsContact ND1-CB 3.35Å; H323-H347 WeakPolarHBondContact ND1-CB 3.49Å; H323-H347 AromaticContact ND1-CG 3.78Å; H323-H347 AromaticContact NE2-CG 3.86Å; H323-H347 AromaticContact NE2-ND1 3.52Å
324	N	98.6	Very high	96.4	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.043	24%	0.236	C	C	.	.	S	Bend	trans	-112.9	-160.9	172.4	-87.5	-77.2	0	0	0	110.5	L297 N300 A301 I302 L321 G322 I326 N348	L297-N324 PolarHBondContact O-ND2 2.95Å; N300-N324 VanDerWaalsContact CA-OD1 3.3Å; N300-N324 WeakPolarHBondContact CA-OD1 3.38Å; N300-N324 WeakPolarHBondContact CB-OD1 3.38Å; N300-N324 PolarHBondContact N-OD1 3.45Å; N300-N324 PolarHBondContact O-OD1 3.45Å; A301-N324 PolarHBondContact N-OD1 3.08Å; I302-N324 HydrophobicContact CB-CB 4.27Å; I302-N324 WeakPolarHBondContact CB-OD1 3.35Å; I302-N324 WeakPolarHBondContact CG1-OD1 3.44Å; I302-N324 PolarHBondContact N-OD1 3.16Å; L321-N324 PolarHBondContact O-ND2 3.47Å; G322-N324 VanDerWaalsContact C-N 3.34Å; G322-N324 PolarHBondContact O-N 2.87Å; G322-N324 PolarHBondContact O-ND2 2.93Å; N324-I326 HydrophobicContact CB-CD1 4.43Å; N324-I326 HydrophobicContact CB-CG1 4.2Å; N324-N348 VanDerWaalsContact CA-OD1 3.27Å; N324-N348 WeakPolarHBondContact CA-OD1 3.35Å; N324-N348 WeakPolarHBondContact CB-OD1 3.21Å; N324-N348 PolarHBondContact N-OD1 2.97Å; N324-N348 PolarHBondContact O-OD1 3.48Å
325	R	97.5	Very high	96.3	Very high	140 Å²	140	53 Å²	53	53%	0.528	24%	0.235	S	C	.	.			trans	-121.4	25.2	-179.1	-59.2	177.4	-175.8	164.5	0.2	111.6	I302 A303 R327 N348	I302-R325 CarbonylContact O-C 3.15Å; I302-R325 VanDerWaalsContact O-CA 3.3Å; I302-R325 WeakPolarHBondContact O-CA 3.46Å; I302-R325 PolarHBondContact O-N 3.36Å; A303-R325 WeakPolarHBondContact CA-O 3.1Å; R325-R327 PolarHBondContact O-N 3.21Å; R325-N348 PolarHBondContact N-OD1 3.12Å
326	I	97.1	Very high	95.9	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.224	C	C	.	.			trans	-67.3	124.3	-175.2	-55.8	170.4	0	0	0	108.2	I302 A303 L305 L321 N324 L329 L345 N348 Q349 L350	I302-I326 HydrophobicContact CG2-CG1 4.33Å; I302-I326 WeakPolarHBondContact O-CG1 3.28Å; I302-I326 PolarHBondContact O-N 3.06Å; I302-I326 VanDerWaalsContact O-N 3.12Å; A303-I326 WeakPolarHBondContact O-CA 3.28Å; L305-I326 HydrophobicContact CD1-CD1 4.27Å; L305-I326 HydrophobicContact CD2-CD1 4.13Å; L305-I326 HydrophobicContact CG-CD1 4.14Å; L321-I326 HydrophobicContact CB-CD1 4.23Å; N324-I326 HydrophobicContact CB-CD1 4.43Å; N324-I326 HydrophobicContact CB-CG1 4.2Å; I326-L329 HydrophobicContact CG2-CD2 4.18Å; I326-L345 HydrophobicContact CD1-CD2 4Å; I326-N348 HydrophobicContact CB-CB 4.38Å; I326-N348 WeakPolarHBondContact CB-OD1 3.08Å; I326-N348 WeakPolarHBondContact CG1-OD1 3.32Å; I326-N348 PolarHBondContact N-OD1 2.79Å; I326-Q349 CarbonylContact O-C 3.13Å; I326-Q349 WeakPolarHBondContact O-CA 3.42Å; I326-Q349 PolarHBondContact O-N 2.91Å; I326-L350 HydrophobicContact CB-CD2 4.23Å; I326-L350 HydrophobicContact CG2-CD2 3.67Å; I326-L350 PolarHBondContact O-N 2.72Å; I326-L350 VanDerWaalsContact O-N 3.08Å
327	R	95.7	Very high	95.8	Very high	155 Å²	155	49 Å²	49	59%	0.585	22%	0.224	S	C	*	.			trans	-98.5	-28.7	-175.5	-66.8	-175.9	-179	168.5	-0.4	115	A303 R325 Q349 L350 Q351	A303-R327 PolarHBondContact O-N 3.48Å; R325-R327 PolarHBondContact O-N 3.21Å; R327-Q349 WeakPolarHBondContact CA-O 3.49Å; R327-Q349 HydrophobicContact CG-CB 4.09Å; R327-L350 WeakPolarHBondContact O-CA 3.27Å; R327-Q351 PolarHBondContact O-N 2.92Å
328	Q	95.4	Very high	95.6	Very high	108 Å²	108	46.8 Å²	46.8	51%	0.505	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	150.2	-176	65.4	-175.2	9.1	0	0	110.6	E352	Q328-E352 VanDerWaalsContact CA-O 3.29Å; Q328-E352 WeakPolarHBondContact CA-O 3.35Å
329	L	95.5	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.1	168.1	-59	177.3	0	0	0	109	L305 I326 F334 L345 L350 E352 V353 K354 A357 F358	L305-L329 HydrophobicContact CD1-CD2 4.04Å; I326-L329 HydrophobicContact CG2-CD2 4.18Å; L329-F334 HydrophobicContact CD1-CE2 4.21Å; L329-F334 HydrophobicContact CD2-CE2 4.25Å; L329-F334 HydrophobicContact CD2-CZ 4.08Å; L329-L345 HydrophobicContact CD1-CD1 4.06Å; L329-L350 HydrophobicContact CD1-CD1 4.17Å; L329-L350 HydrophobicContact CD2-CD2 4.1Å; L329-L350 HydrophobicContact CG-CD1 4.35Å; L329-L350 HydrophobicContact CG-CD2 3.82Å; L329-E352 PolarHBondContact N-O 2.67Å; L329-V353 HydrophobicContact CB-CG1 4.31Å; L329-V353 HydrophobicContact CD1-CG1 4.29Å; L329-V353 HydrophobicContact CD1-CG2 4.13Å; L329-K354 WeakPolarHBondContact O-CB 3.13Å; L329-K354 WeakPolarHBondContact O-CG 3.19Å; L329-K354 PolarHBondContact O-N 2.83Å; L329-A357 HydrophobicContact CB-CB 3.83Å; L329-F358 HydrophobicContact CD1-CE1 3.85Å; L329-F358 HydrophobicContact CD1-CZ 3.91Å
330	A	93.9	Very high	95.5	Very high	36 Å²	36	49.2 Å²	49.2	30%	0.298	23%	0.231	S	C	.	.			trans	-78.4	164.6	174.8	0	0	0	0	0	110.9	R332 S333 A357	A330-R332 PolarHBondContact O-N 2.97Å; A330-S333 PolarHBondContact N-OG 3.38Å; A330-S333 VanDerWaalsContact N-OG 3.08Å; A330-S333 WeakPolarHBondContact O-CB 3.34Å; A330-S333 PolarHBondContact O-N 3.3Å; A330-S333 PolarHBondContact O-OG 3.27Å; A330-A357 VanDerWaalsContact O-CA 3.28Å; A330-A357 WeakPolarHBondContact O-CA 3.25Å; A330-A357 WeakPolarHBondContact O-CB 3.28Å
331	E	93.3	Very high	95.5	Very high	122 Å²	122	51.9 Å²	51.9	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	139.1	171.3	-57.5	-175.1	-159.5	0	0	110.5	S333 K354 V355	E331-S333 PolarHBondContact O-N 2.93Å; E331-K354 HydrophobicContact CG-CB 4.07Å; E331-V355 WeakPolarHBondContact CG-O 3.38Å
332	R	90.9	Very high	95.5	Very high	129 Å²	129	54 Å²	54	49%	0.487	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	26.9	176.9	-56	-179.5	-179.4	-156.5	6.3	114.8	A330 F334 E335 G356	A330-R332 PolarHBondContact O-N 2.97Å; R332-F334 PolarHBondContact O-N 2.83Å; R332-F334 VanDerWaalsContact O-N 3.09Å; R332-E335 HydrophobicContact CB-CB 4.03Å; R332-E335 WeakPolarHBondContact CD-OE2 3.28Å; R332-E335 IonicContact CZ-OE1 3.63Å; R332-E335 IonicContact NH1-OE1 2.8Å; R332-E335 PolarHBondContact NH1-OE1 3.25Å; R332-E335 VanDerWaalsContact NH1-OE1 3.14Å; R332-E335 IonicContact NH1-OE2 3.5Å; R332-E335 WeakPolarHBondContact O-CB 3.34Å; R332-E335 PolarHBondContact O-N 3.22Å; R332-G356 PolarHBondContact N-O 3.26Å
333	S	93.1	Very high	95.5	Very high	3 Å²	3	54 Å²	54	2%	0.021	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.8	177.7	-68.9	0	0	0	0	113.6	A330 E331 A357	A330-S333 PolarHBondContact N-OG 3.38Å; A330-S333 VanDerWaalsContact N-OG 3.08Å; A330-S333 WeakPolarHBondContact O-CB 3.34Å; A330-S333 PolarHBondContact O-N 3.3Å; A330-S333 PolarHBondContact O-OG 3.27Å; E331-S333 PolarHBondContact O-N 2.93Å; S333-A357 PolarHBondContact N-O 3.06Å
334	F	94.2	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	23.1	-178	-54.3	-71.6	0	0	0	113	L305 F310 L319 L321 L329 R332 L337 L343 L345 F358 L361	L305-F334 HydrophobicContact CD1-CE1 3.78Å; L305-F334 HydrophobicContact CD1-CZ 3.81Å; F310-F334 HydrophobicContact CD2-CD1 4.43Å; F310-F334 HydrophobicContact CE2-CD1 4.39Å; F310-F334 HydrophobicContact CE2-CE1 4.43Å; L319-F334 HydrophobicContact CD2-CD1 4.16Å; L319-F334 HydrophobicContact CD2-CE1 4.17Å; L321-F334 HydrophobicContact CD1-CE1 4.22Å; L329-F334 HydrophobicContact CD1-CE2 4.21Å; L329-F334 HydrophobicContact CD2-CE2 4.25Å; L329-F334 HydrophobicContact CD2-CZ 4.08Å; R332-F334 PolarHBondContact O-N 2.83Å; R332-F334 VanDerWaalsContact O-N 3.09Å; F334-L337 HydrophobicContact CB-CD1 4.12Å; F334-L337 HydrophobicContact CD1-CD1 4.1Å; F334-L337 WeakPolarHBondContact O-CB 3.37Å; F334-L337 PolarHBondContact O-N 3.48Å; F334-L343 HydrophobicContact CD2-CD2 4.33Å; F334-L343 HydrophobicContact CE1-CD1 4.03Å; F334-L343 HydrophobicContact CE1-CD2 4.28Å; F334-L343 HydrophobicContact CE2-CD2 4.09Å; F334-L343 HydrophobicContact CZ-CD1 4.38Å; F334-L343 HydrophobicContact CZ-CD2 4.08Å; F334-L345 HydrophobicContact CE2-CD1 4.31Å; F334-L345 HydrophobicContact CZ-CD1 3.83Å; F334-L345 HydrophobicContact CZ-CD2 4.34Å; F334-F358 HydrophobicContact CD2-CD1 4.04Å; F334-F358 HydrophobicContact CE2-CD1 4.01Å; F334-F358 HydrophobicContact CE2-CE1 4.04Å; F334-L361 HydrophobicContact CB-CD1 4.13Å; F334-L361 HydrophobicContact CB-CD2 3.78Å; F334-L361 HydrophobicContact CB-CG 3.97Å; F334-L361 HydrophobicContact CD2-CD1 4.13Å; F334-L361 HydrophobicContact CG-CD1 4.26Å
335	E	90.3	Very high	95.5	Very high	83 Å²	83	51.2 Å²	51.2	39%	0.388	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	139.6	176.2	-174.8	168.6	-141.6	0	0	110.9	R332	R332-E335 HydrophobicContact CB-CB 4.03Å; R332-E335 WeakPolarHBondContact CD-OE2 3.28Å; R332-E335 IonicContact CZ-OE1 3.63Å; R332-E335 IonicContact NH1-OE1 2.8Å; R332-E335 PolarHBondContact NH1-OE1 3.25Å; R332-E335 VanDerWaalsContact NH1-OE1 3.14Å; R332-E335 IonicContact NH1-OE2 3.5Å; R332-E335 WeakPolarHBondContact O-CB 3.34Å; R332-E335 PolarHBondContact O-N 3.22Å
336	G	89.5	Confident	95.6	Very high	26 Å²	26	45.6 Å²	45.6	27%	0.268	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-20.5	-174.3	0	0	0	0	0	114.8	G338	G336-G338 PolarHBondContact O-N 2.82Å
337	L	95.6	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.			trans	-84.1	47.3	-175.7	-59.2	-172.5	0	0	0	114	F310 L313 L316 L319 F334 Q339 L340 L361	F310-L337 HydrophobicContact CB-CD1 4.07Å; F310-L337 HydrophobicContact CB-CD2 3.89Å; F310-L337 HydrophobicContact CB-CG 4.1Å; F310-L337 HydrophobicContact CD2-CD1 4.23Å; F310-L337 HydrophobicContact CG-CD1 4.29Å; L313-L337 HydrophobicContact CB-CD2 3.78Å; L313-L337 WeakPolarHBondContact O-CD2 3.18Å; L316-L337 HydrophobicContact CB-CD2 4.06Å; L316-L337 HydrophobicContact CD2-CD1 4.41Å; L316-L337 HydrophobicContact CD2-CD2 3.94Å; L319-L337 HydrophobicContact CD2-CD1 3.77Å; F334-L337 HydrophobicContact CB-CD1 4.12Å; F334-L337 HydrophobicContact CD1-CD1 4.1Å; F334-L337 WeakPolarHBondContact O-CB 3.37Å; F334-L337 PolarHBondContact O-N 3.48Å; L337-Q339 VanDerWaalsContact C-N 3.27Å; L337-Q339 PolarHBondContact O-N 3.37Å; L337-L340 HydrophobicContact CB-CB 4.1Å; L337-L340 HydrophobicContact CB-CD2 4.44Å; L337-L340 HydrophobicContact CD1-CD2 4.17Å; L337-L340 VanDerWaalsContact O-CB 3.28Å; L337-L340 WeakPolarHBondContact O-CB 3.49Å; L337-L340 PolarHBondContact O-N 2.92Å; L337-L361 HydrophobicContact CB-CD2 3.8Å
338	G	94.8	Very high	95.8	Very high	18 Å²	18	43.1 Å²	43.1	19%	0.186	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.8	-174.8	0	0	0	0	0	115.3	G336 G360 T362 N363	G336-G338 PolarHBondContact O-N 2.82Å; G338-G360 WeakPolarHBondContact CA-O 3.21Å; G338-T362 PolarHBondContact O-OG1 3Å; G338-N363 WeakPolarHBondContact O-CB 3.11Å; G338-N363 PolarHBondContact O-ND2 2.82Å
339	Q	97.4	Very high	95.8	Very high	90 Å²	90	41.9 Å²	41.9	42%	0.421	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0.8	177	-59.6	-57.9	-26.7	0	0	113.5	H314 L316 L337 E341 N363	H314-Q339 VanDerWaalsContact O-CG 3.24Å; H314-Q339 WeakPolarHBondContact O-CG 3.5Å; L316-Q339 CarbonylContact O-C 3.45Å; L337-Q339 VanDerWaalsContact C-N 3.27Å; L337-Q339 PolarHBondContact O-N 3.37Å; Q339-E341 PolarHBondContact O-N 2.71Å; Q339-N363 PolarHBondContact OE1-ND2 3.43Å
340	L	98.4	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.			trans	-65.9	126.3	-175.7	-165.2	74.9	0	0	0	110.3	L316 L319 L337 L343 L361 N363 V364	L316-L340 HydrophobicContact CB-CD1 4.37Å; L316-L340 HydrophobicContact CD2-CD1 4Å; L316-L340 HydrophobicContact CG-CD1 4.03Å; L316-L340 WeakPolarHBondContact O-CA 3.14Å; L316-L340 PolarHBondContact O-N 3.33Å; L319-L340 HydrophobicContact CB-CD1 3.72Å; L319-L340 HydrophobicContact CB-CD2 4.25Å; L337-L340 HydrophobicContact CB-CB 4.1Å; L337-L340 HydrophobicContact CB-CD2 4.44Å; L337-L340 HydrophobicContact CD1-CD2 4.17Å; L337-L340 VanDerWaalsContact O-CB 3.28Å; L337-L340 WeakPolarHBondContact O-CB 3.49Å; L337-L340 PolarHBondContact O-N 2.92Å; L340-L343 HydrophobicContact CD2-CB 3.92Å; L340-L343 HydrophobicContact CD2-CD1 4.27Å; L340-L343 HydrophobicContact CD2-CG 4.46Å; L340-L361 HydrophobicContact CB-CD2 4.11Å; L340-L361 HydrophobicContact CD2-CD2 3.68Å; L340-N363 CarbonylContact O-C 3.48Å; L340-V364 WeakPolarHBondContact O-CA 3.46Å; L340-V364 PolarHBondContact O-N 3.09Å
341	E	98.6	Very high	95.9	Very high	100 Å²	100	44.7 Å²	44.7	47%	0.467	22%	0.221	S	C	.	.			trans	-104	-35.6	178.4	-61.5	-170	175.6	0	0	111.2	E317 Q339 A365 V366	E317-E341 PolarHBondContact O-N 3.2Å; Q339-E341 PolarHBondContact O-N 2.71Å; E341-A365 PolarHBondContact O-N 2.93Å; E341-V366 PolarHBondContact O-N 3.34Å
342	V	98.8	Very high	95.9	Very high	44 Å²	44	42.8 Å²	42.8	27%	0.267	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.6	-176	-177.2	0	0	0	0	110.5	E317 E318 L319 T344	E317-V342 PolarHBondContact O-N 2.84Å; E318-V342 HydrophobicContact CG-CB 4.28Å; E318-V342 HydrophobicContact CG-CG1 4.42Å; L319-V342 PolarHBondContact N-O 2.83Å; V342-T344 HydrophobicContact CG1-CG2 4.29Å
343	L	98.8	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.1	173.2	178.7	57.2	0	0	0	110.2	L319 F334 L340 L345 L361 V364 V366 M367 N368	L319-L343 HydrophobicContact CB-CD1 4.19Å; L319-L343 HydrophobicContact CD2-CD1 4.02Å; L319-L343 HydrophobicContact CG-CD1 4.12Å; F334-L343 HydrophobicContact CD2-CD2 4.33Å; F334-L343 HydrophobicContact CE1-CD1 4.03Å; F334-L343 HydrophobicContact CE1-CD2 4.28Å; F334-L343 HydrophobicContact CE2-CD2 4.09Å; F334-L343 HydrophobicContact CZ-CD1 4.38Å; F334-L343 HydrophobicContact CZ-CD2 4.08Å; L340-L343 HydrophobicContact CD2-CB 3.92Å; L340-L343 HydrophobicContact CD2-CD1 4.27Å; L340-L343 HydrophobicContact CD2-CG 4.46Å; L343-L345 HydrophobicContact CD1-CD1 4.24Å; L343-L345 HydrophobicContact CD1-CG 4.2Å; L343-L345 HydrophobicContact CD2-CD1 3.94Å; L343-L345 HydrophobicContact CG-CD1 4Å; L343-L345 HydrophobicContact CG-CG 4.3Å; L343-L361 HydrophobicContact CD2-CD1 3.78Å; L343-V364 HydrophobicContact CB-CG2 4.33Å; L343-V366 PolarHBondContact N-O 3.21Å; L343-M367 HydrophobicContact CD2-CE 4.28Å; L343-M367 WeakPolarHBondContact O-CA 3.43Å; L343-N368 PolarHBondContact O-N 3.46Å
344	T	98.8	Very high	96.2	Very high	22 Å²	22	40.8 Å²	40.8	14%	0.135	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.2	173.6	59.4	0	0	0	0	110.9	L319 Q320 L321 G322 V342 N368	L319-T344 PolarHBondContact O-N 3.5Å; L319-T344 VanDerWaalsContact O-N 3.07Å; Q320-T344 WeakPolarHBondContact CA-OG1 3.46Å; Q320-T344 WeakPolarHBondContact CB-OG1 3.13Å; L321-T344 CarbonylContact C-O 3.06Å; L321-T344 WeakPolarHBondContact CA-O 3.38Å; L321-T344 WeakPolarHBondContact CB-O 3.39Å; L321-T344 PolarHBondContact N-O 3.17Å; G322-T344 PolarHBondContact N-O 3.49Å; V342-T344 HydrophobicContact CG1-CG2 4.29Å; T344-N368 HydrophobicContact CG2-CB 4.14Å
345	L	98.5	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.			trans	-133.7	16.5	-179.5	-75.7	161.3	0	0	0	110.1	L321 I326 L329 F334 L343 N348 L350 N368 L369 N372	L321-L345 HydrophobicContact CB-CD2 3.84Å; L321-L345 HydrophobicContact CD1-CD2 3.98Å; I326-L345 HydrophobicContact CD1-CD2 4Å; L329-L345 HydrophobicContact CD1-CD1 4.06Å; F334-L345 HydrophobicContact CE2-CD1 4.31Å; F334-L345 HydrophobicContact CZ-CD1 3.83Å; F334-L345 HydrophobicContact CZ-CD2 4.34Å; L343-L345 HydrophobicContact CD1-CD1 4.24Å; L343-L345 HydrophobicContact CD1-CG 4.2Å; L343-L345 HydrophobicContact CD2-CD1 3.94Å; L343-L345 HydrophobicContact CG-CD1 4Å; L343-L345 HydrophobicContact CG-CG 4.3Å; L345-N348 PolarHBondContact O-ND2 3Å; L345-L350 HydrophobicContact CB-CD1 4.44Å; L345-N368 CarbonylContact C-O 3.45Å; L345-N368 WeakPolarHBondContact CA-O 3.1Å; L345-N368 PolarHBondContact N-O 3.12Å; L345-L369 HydrophobicContact CB-CD2 3.82Å; L345-L369 HydrophobicContact CD1-CD2 3.75Å; L345-L369 HydrophobicContact CG-CD2 4.47Å; L345-N372 PolarHBondContact O-ND2 2.95Å
346	D	98.6	Very high	96.3	Very high	21 Å²	21	41 Å²	41	11%	0.112	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	155	-177.3	61.3	-74.4	0	0	0	112.1	G322 H323 N348 N368 S370	G322-D346 CarbonylContact C-O 3.45Å; G322-D346 WeakPolarHBondContact CA-O 3.4Å; H323-D346 IonicContact CD2-OD2 3.59Å; H323-D346 PolarHBondContact N-O 3.01Å; H323-D346 IonicContact NE2-OD2 3.68Å; D346-N348 PolarHBondContact O-N 3.03Å; D346-N348 VanDerWaalsContact O-N 3.14Å; D346-N348 PolarHBondContact O-ND2 2.86Å; D346-N368 PolarHBondContact N-O 2.78Å; D346-S370 CarbonylContact C-O 3.57Å; D346-S370 WeakPolarHBondContact CA-O 3.09Å; D346-S370 WeakPolarHBondContact CB-O 3.23Å; D346-S370 WeakPolarHBondContact CB-OG 3.42Å
347	H	98.4	Very high	96.6	Very high	92 Å²	92	39.8 Å²	39.8	43%	0.426	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40.5	177.8	-57.3	96.4	0	0	0	113.6	H323 S370 G371	H323-H347 VanDerWaalsContact CA-O 3.31Å; H323-H347 WeakPolarHBondContact CA-O 3.41Å; H323-H347 VanDerWaalsContact CE1-CB 3.49Å; H323-H347 WeakPolarHBondContact CE1-CB 2.96Å; H323-H347 AromaticContact CE1-CD2 3.99Å; H323-H347 AromaticContact CE1-CG 3.37Å; H323-H347 AromaticContact CE1-ND1 3.48Å; H323-H347 PolarHBondContact CE1-ND1 2.98Å; H323-H347 VanDerWaalsContact ND1-CB 3.35Å; H323-H347 WeakPolarHBondContact ND1-CB 3.49Å; H323-H347 AromaticContact ND1-CG 3.78Å; H323-H347 AromaticContact NE2-CG 3.86Å; H323-H347 AromaticContact NE2-ND1 3.52Å; H347-S370 PolarHBondContact N-O 3.02Å; H347-G371 WeakPolarHBondContact CA-O 3.46Å
348	N	98.4	Very high	96.6	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.064	20%	0.204	C	C	.	.	S	Bend	trans	-97.9	-165.1	169.8	-89.6	-82.6	0	0	0	110.3	L321 N324 R325 I326 L345 D346 L350 N372	L321-N348 PolarHBondContact O-ND2 2.69Å; N324-N348 VanDerWaalsContact CA-OD1 3.27Å; N324-N348 WeakPolarHBondContact CA-OD1 3.35Å; N324-N348 WeakPolarHBondContact CB-OD1 3.21Å; N324-N348 PolarHBondContact N-OD1 2.97Å; N324-N348 PolarHBondContact O-OD1 3.48Å; R325-N348 PolarHBondContact N-OD1 3.12Å; I326-N348 HydrophobicContact CB-CB 4.38Å; I326-N348 WeakPolarHBondContact CB-OD1 3.08Å; I326-N348 WeakPolarHBondContact CG1-OD1 3.32Å; I326-N348 PolarHBondContact N-OD1 2.79Å; L345-N348 PolarHBondContact O-ND2 3Å; D346-N348 PolarHBondContact O-N 3.03Å; D346-N348 VanDerWaalsContact O-N 3.14Å; D346-N348 PolarHBondContact O-ND2 2.86Å; N348-L350 HydrophobicContact CB-CG 4.22Å; N348-N372 VanDerWaalsContact CA-OD1 3.27Å; N348-N372 WeakPolarHBondContact CA-OD1 3.19Å; N348-N372 WeakPolarHBondContact CB-OD1 3.41Å; N348-N372 PolarHBondContact N-OD1 2.85Å; N348-N372 PolarHBondContact O-OD1 3.05Å
349	Q	96.8	Very high	96.4	Very high	82 Å²	82	42.8 Å²	42.8	38%	0.383	21%	0.214	S	C	.	.			trans	-113.2	28.3	177.6	-62.3	-178.1	-8.4	0	0	111.1	I326 R327 Q351 N372	I326-Q349 CarbonylContact O-C 3.13Å; I326-Q349 WeakPolarHBondContact O-CA 3.42Å; I326-Q349 PolarHBondContact O-N 2.91Å; R327-Q349 WeakPolarHBondContact CA-O 3.49Å; R327-Q349 HydrophobicContact CG-CB 4.09Å; Q349-Q351 PolarHBondContact O-N 3.46Å; Q349-N372 PolarHBondContact N-OD1 3.25Å
350	L	96.9	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.			trans	-63.9	122	-172.7	-66	174	0	0	0	110.2	I326 R327 L329 L345 N348 L369 N372 C373 L374	I326-L350 HydrophobicContact CB-CD2 4.23Å; I326-L350 HydrophobicContact CG2-CD2 3.67Å; I326-L350 PolarHBondContact O-N 2.72Å; I326-L350 VanDerWaalsContact O-N 3.08Å; R327-L350 WeakPolarHBondContact O-CA 3.27Å; L329-L350 HydrophobicContact CD1-CD1 4.17Å; L329-L350 HydrophobicContact CD2-CD2 4.1Å; L329-L350 HydrophobicContact CG-CD1 4.35Å; L329-L350 HydrophobicContact CG-CD2 3.82Å; L345-L350 HydrophobicContact CB-CD1 4.44Å; N348-L350 HydrophobicContact CB-CG 4.22Å; L350-L369 HydrophobicContact CD1-CD2 3.95Å; L350-N372 HydrophobicContact CB-CB 3.99Å; L350-N372 VanDerWaalsContact CB-OD1 3.25Å; L350-N372 WeakPolarHBondContact CB-OD1 3.37Å; L350-N372 WeakPolarHBondContact CG-OD1 3.3Å; L350-N372 PolarHBondContact N-OD1 3.04Å; L350-C373 CarbonylContact O-C 3.55Å; L350-C373 PolarHBondContact O-N 3.3Å; L350-C373 VanDerWaalsContact O-O 3.13Å; L350-L374 HydrophobicContact CB-CD2 3.63Å; L350-L374 PolarHBondContact O-N 3.39Å
351	Q	94.4	Very high	96	Very high	95 Å²	95	40.3 Å²	40.3	44%	0.444	21%	0.212	S	C	.	.			trans	-116.9	-16.6	175	-67.2	176.4	30.6	0	0	112.5	R327 Q349 C373 L374	R327-Q351 PolarHBondContact O-N 2.92Å; Q349-Q351 PolarHBondContact O-N 3.46Å; Q351-C373 WeakPolarHBondContact CA-O 3.31Å; Q351-L374 VanDerWaalsContact O-O 3.05Å
352	E	92.2	Very high	95.8	Very high	82 Å²	82	39.3 Å²	39.3	38%	0.383	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.4	-179.7	-174.8	174.4	-158.6	0	0	110.8	Q328 L329 K354	Q328-E352 VanDerWaalsContact CA-O 3.29Å; Q328-E352 WeakPolarHBondContact CA-O 3.35Å; L329-E352 PolarHBondContact N-O 2.67Å; E352-K354 VanDerWaalsContact CD-CE 3.46Å; E352-K354 VanDerWaalsContact CD-NZ 3.29Å; E352-K354 HydrophobicContact CG-CD 4.38Å; E352-K354 WeakPolarHBondContact OE1-CE 3.49Å; E352-K354 IonicContact OE1-NZ 3.63Å; E352-K354 PolarHBondContact OE1-NZ 2.97Å; E352-K354 IonicContact OE2-NZ 3.46Å; E352-K354 PolarHBondContact OE2-NZ 2.99Å
353	V	95.6	Very high	95.7	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112.2	170.8	-178.8	0	0	0	0	107.5	L329 A357 F358 L374 P378 V381	L329-V353 HydrophobicContact CB-CG1 4.31Å; L329-V353 HydrophobicContact CD1-CG1 4.29Å; L329-V353 HydrophobicContact CD1-CG2 4.13Å; V353-A357 HydrophobicContact CG1-CB 3.85Å; V353-F358 HydrophobicContact CG1-CE2 3.7Å; V353-F358 HydrophobicContact CG1-CZ 3.93Å; V353-L374 HydrophobicContact CG2-CD2 3.75Å; V353-P378 VanDerWaalsContact O-CG 3.31Å; V353-P378 WeakPolarHBondContact O-CG 3.37Å; V353-V381 HydrophobicContact CB-CG2 4.22Å; V353-V381 HydrophobicContact CG1-CG2 3.53Å
354	K	94.4	Very high	95.7	Very high	84 Å²	84	38.9 Å²	38.9	37%	0.365	21%	0.209	S	C	.	.			trans	-68.3	145.3	178.2	-63.3	-64	-173.1	-178.3	0	110.4	L329 E331 E352 G356 A357	L329-K354 WeakPolarHBondContact O-CB 3.13Å; L329-K354 WeakPolarHBondContact O-CG 3.19Å; L329-K354 PolarHBondContact O-N 2.83Å; E331-K354 HydrophobicContact CG-CB 4.07Å; E352-K354 VanDerWaalsContact CD-CE 3.46Å; E352-K354 VanDerWaalsContact CD-NZ 3.29Å; E352-K354 HydrophobicContact CG-CD 4.38Å; E352-K354 WeakPolarHBondContact OE1-CE 3.49Å; E352-K354 IonicContact OE1-NZ 3.63Å; E352-K354 PolarHBondContact OE1-NZ 2.97Å; E352-K354 IonicContact OE2-NZ 3.46Å; E352-K354 PolarHBondContact OE2-NZ 2.99Å; K354-G356 PolarHBondContact O-N 3Å; K354-A357 WeakPolarHBondContact O-CB 3.3Å; K354-A357 PolarHBondContact O-N 2.94Å
355	V	94	Very high	95.6	Very high	77 Å²	77	38.9 Å²	38.9	47%	0.467	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	127.7	171.2	177.3	0	0	0	0	108.5	E331 P378	E331-V355 WeakPolarHBondContact CG-O 3.38Å; V355-P378 HydrophobicContact CG2-CB 3.85Å; V355-P378 HydrophobicContact CG2-CG 3.97Å
356	G	93.3	Very high	95.7	Very high	11 Å²	11	41.1 Å²	41.1	11%	0.113	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	8.7	-177	0	0	0	0	0	115.4	R332 K354 F358 L359	R332-G356 PolarHBondContact N-O 3.26Å; K354-G356 PolarHBondContact O-N 3Å; G356-F358 PolarHBondContact O-N 3.32Å; G356-L359 WeakPolarHBondContact O-CB 3.34Å; G356-L359 WeakPolarHBondContact O-CG 3.33Å; G356-L359 PolarHBondContact O-N 3.2Å
357	A	95.3	Very high	95.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.5	171.1	0	0	0	0	0	113.2	L329 A330 S333 V353 K354	L329-A357 HydrophobicContact CB-CB 3.83Å; A330-A357 VanDerWaalsContact O-CA 3.28Å; A330-A357 WeakPolarHBondContact O-CA 3.25Å; A330-A357 WeakPolarHBondContact O-CB 3.28Å; S333-A357 PolarHBondContact N-O 3.06Å; V353-A357 HydrophobicContact CG1-CB 3.85Å; K354-A357 WeakPolarHBondContact O-CB 3.3Å; K354-A357 PolarHBondContact O-N 2.94Å
358	F	95.4	Very high	95.7	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	10.8	-179.1	-53.7	-62.9	0	0	0	114.1	L329 F334 V353 G356 G360 L361 M367 L369 V381 F382 L385	L329-F358 HydrophobicContact CD1-CE1 3.85Å; L329-F358 HydrophobicContact CD1-CZ 3.91Å; F334-F358 HydrophobicContact CD2-CD1 4.04Å; F334-F358 HydrophobicContact CE2-CD1 4.01Å; F334-F358 HydrophobicContact CE2-CE1 4.04Å; V353-F358 HydrophobicContact CG1-CE2 3.7Å; V353-F358 HydrophobicContact CG1-CZ 3.93Å; G356-F358 PolarHBondContact O-N 3.32Å; F358-G360 PolarHBondContact O-N 3.48Å; F358-L361 HydrophobicContact CB-CD1 4.13Å; F358-L361 HydrophobicContact CD1-CD1 4Å; F358-L361 WeakPolarHBondContact O-CB 3.28Å; F358-L361 PolarHBondContact O-N 2.82Å; F358-M367 HydrophobicContact CD1-CE 3.84Å; F358-M367 HydrophobicContact CD1-SD 4.27Å; F358-M367 HydrophobicContact CE1-CE 4.04Å; F358-M367 HydrophobicContact CE1-SD 3.87Å; F358-M367 HydrophobicContact CE2-SD 4.41Å; F358-M367 HydrophobicContact CG-CE 4.21Å; F358-M367 HydrophobicContact CZ-SD 3.95Å; F358-L369 HydrophobicContact CZ-CD1 4.13Å; F358-V381 HydrophobicContact CD2-CG2 4.46Å; F358-V381 HydrophobicContact CE2-CG2 4.21Å; F358-F382 HydrophobicContact CD2-CD1 4.06Å; F358-F382 HydrophobicContact CD2-CE1 4.37Å; F358-F382 AromaticContact CE2-CD1 3.97Å; F358-F382 HydrophobicContact CE2-CD1 3.97Å; F358-F382 AromaticContact CE2-CE1 3.81Å; F358-F382 HydrophobicContact CE2-CE1 3.81Å; F358-F382 HydrophobicContact CZ-CE1 4.49Å; F358-L385 HydrophobicContact CB-CD1 4.08Å; F358-L385 HydrophobicContact CB-CD2 4.08Å; F358-L385 HydrophobicContact CB-CG 4.42Å; F358-L385 HydrophobicContact CD2-CD1 4.4Å; F358-L385 HydrophobicContact CG-CD1 4.31Å
359	L	92.1	Very high	95.7	Very high	78 Å²	78	36.7 Å²	36.7	41%	0.408	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.6	176.2	-72	170.9	0	0	0	110.6	G356	G356-L359 WeakPolarHBondContact O-CB 3.34Å; G356-L359 WeakPolarHBondContact O-CG 3.33Å; G356-L359 PolarHBondContact O-N 3.2Å
360	G	90.3	Very high	95.7	Very high	36 Å²	36	33.4 Å²	33.4	37%	0.371	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	-19.1	-177.2	0	0	0	0	0	114.3	G338 F358 T362	G338-G360 WeakPolarHBondContact CA-O 3.21Å; F358-G360 PolarHBondContact O-N 3.48Å; G360-T362 VanDerWaalsContact C-N 3.27Å; G360-T362 PolarHBondContact O-N 3.29Å
361	L	95.4	Very high	95.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.204	C	C	.	.			trans	-78.9	67.6	178.7	-62.2	-176.6	0	0	0	112.3	F334 L337 L340 L343 F358 V364 M367 L385	F334-L361 HydrophobicContact CB-CD1 4.13Å; F334-L361 HydrophobicContact CB-CD2 3.78Å; F334-L361 HydrophobicContact CB-CG 3.97Å; F334-L361 HydrophobicContact CD2-CD1 4.13Å; F334-L361 HydrophobicContact CG-CD1 4.26Å; L337-L361 HydrophobicContact CB-CD2 3.8Å; L340-L361 HydrophobicContact CB-CD2 4.11Å; L340-L361 HydrophobicContact CD2-CD2 3.68Å; L343-L361 HydrophobicContact CD2-CD1 3.78Å; F358-L361 HydrophobicContact CB-CD1 4.13Å; F358-L361 HydrophobicContact CD1-CD1 4Å; F358-L361 WeakPolarHBondContact O-CB 3.28Å; F358-L361 PolarHBondContact O-N 2.82Å; L361-V364 HydrophobicContact CB-CB 4.28Å; L361-V364 HydrophobicContact CB-CG1 3.99Å; L361-M367 HydrophobicContact CD1-CE 4.23Å; L361-L385 HydrophobicContact CB-CD2 3.74Å; L361-L385 VanDerWaalsContact O-CD2 3.29Å; L361-L385 WeakPolarHBondContact O-CD2 3.49Å
362	T	94.4	Very high	95.9	Very high	79 Å²	79	30.5 Å²	30.5	49%	0.485	19%	0.185	S	C	.	.	S	Bend	trans	-77.5	-21.4	-172.8	55.4	0	0	0	0	114.3	G338 G360 K387	G338-T362 PolarHBondContact O-OG1 3Å; G360-T362 VanDerWaalsContact C-N 3.27Å; G360-T362 PolarHBondContact O-N 3.29Å; T362-K387 WeakPolarHBondContact O-CD 3.31Å
363	N	97.4	Very high	96.1	Very high	34 Å²	34	29 Å²	29	18%	0.182	18%	0.183	C	C	.	.	S	Bend	trans	-110.6	1.6	-177.7	-73.8	-21	0	0	0	114.9	G338 Q339 L340 A365 K387	G338-N363 WeakPolarHBondContact O-CB 3.11Å; G338-N363 PolarHBondContact O-ND2 2.82Å; Q339-N363 PolarHBondContact OE1-ND2 3.43Å; L340-N363 CarbonylContact O-C 3.48Å; N363-A365 PolarHBondContact O-N 3.14Å; N363-K387 PolarHBondContact OD1-NZ 3.13Å
364	V	98.2	Very high	96	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	18%	0.181	C	C	.	.			trans	-61.4	125.7	-175.5	70	0	0	0	0	110.2	L340 L343 L361 M367 L385 K387 L388	L340-V364 WeakPolarHBondContact O-CA 3.46Å; L340-V364 PolarHBondContact O-N 3.09Å; L343-V364 HydrophobicContact CB-CG2 4.33Å; L361-V364 HydrophobicContact CB-CB 4.28Å; L361-V364 HydrophobicContact CB-CG1 3.99Å; V364-M367 HydrophobicContact CG1-CE 4.27Å; V364-M367 HydrophobicContact CG2-CE 4.46Å; V364-L385 HydrophobicContact CG1-CD2 3.76Å; V364-L385 HydrophobicContact CG1-CG 4.5Å; V364-K387 CarbonylContact O-C 3.23Å; V364-L388 HydrophobicContact CG1-CD1 4.05Å; V364-L388 HydrophobicContact CG2-CD1 4.18Å; V364-L388 WeakPolarHBondContact O-CA 3.27Å; V364-L388 PolarHBondContact O-N 3.48Å; V364-L388 VanDerWaalsContact O-N 3.13Å
365	A	98.4	Very high	95.8	Very high	22 Å²	22	32.7 Å²	32.7	18%	0.182	19%	0.194	C	C	.	.			trans	-107.4	-33.2	-177.9	0	0	0	0	0	111.2	E341 N363 H389 S390	E341-A365 PolarHBondContact O-N 2.93Å; N363-A365 PolarHBondContact O-N 3.14Å; A365-H389 WeakPolarHBondContact O-CA 3.24Å; A365-H389 WeakPolarHBondContact O-CB 3.08Å; A365-H389 PolarHBondContact O-N 3.01Å; A365-S390 PolarHBondContact O-N 3.36Å
366	V	98.8	Very high	95.5	Very high	47 Å²	47	33.4 Å²	33.4	29%	0.285	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125	179.2	-178.2	0	0	0	0	109.6	E341 L343	E341-V366 PolarHBondContact O-N 3.34Å; L343-V366 PolarHBondContact N-O 3.21Å
367	M	98.7	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.6	175.3	-174.8	178.5	-63.3	0	0	109.8	L343 F358 L361 V364 L369 F382 L385 L388 S390 L391 H392	L343-M367 HydrophobicContact CD2-CE 4.28Å; L343-M367 WeakPolarHBondContact O-CA 3.43Å; F358-M367 HydrophobicContact CD1-CE 3.84Å; F358-M367 HydrophobicContact CD1-SD 4.27Å; F358-M367 HydrophobicContact CE1-CE 4.04Å; F358-M367 HydrophobicContact CE1-SD 3.87Å; F358-M367 HydrophobicContact CE2-SD 4.41Å; F358-M367 HydrophobicContact CG-CE 4.21Å; F358-M367 HydrophobicContact CZ-SD 3.95Å; L361-M367 HydrophobicContact CD1-CE 4.23Å; V364-M367 HydrophobicContact CG1-CE 4.27Å; V364-M367 HydrophobicContact CG2-CE 4.46Å; M367-L369 HydrophobicContact CG-CD1 4.33Å; M367-L369 HydrophobicContact CG-CG 4.21Å; M367-L369 HydrophobicContact SD-CD1 3.89Å; M367-L369 HydrophobicContact SD-CG 4.36Å; M367-F382 HydrophobicContact SD-CE1 4.28Å; M367-L385 HydrophobicContact CE-CD1 3.58Å; M367-L388 HydrophobicContact CB-CD1 3.67Å; M367-L388 HydrophobicContact CB-CD2 4.39Å; M367-S390 PolarHBondContact N-O 3.27Å; M367-L391 HydrophobicContact CB-CD1 4.15Å; M367-L391 HydrophobicContact CG-CD1 4.26Å; M367-L391 HydrophobicContact SD-CD1 4.28Å; M367-H392 PolarHBondContact O-N 3.21Å
368	N	98.8	Very high	95.3	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.8	176	-167.1	-6.3	0	0	0	112.1	L343 T344 L345 D346 S370 H392	L343-N368 PolarHBondContact O-N 3.46Å; T344-N368 HydrophobicContact CG2-CB 4.14Å; L345-N368 CarbonylContact C-O 3.45Å; L345-N368 WeakPolarHBondContact CA-O 3.1Å; L345-N368 PolarHBondContact N-O 3.12Å; D346-N368 PolarHBondContact N-O 2.78Å; N368-S370 VanDerWaalsContact OD1-CB 3.28Å; N368-S370 WeakPolarHBondContact OD1-CB 3.46Å; N368-S370 PolarHBondContact OD1-N 3.46Å; N368-S370 PolarHBondContact OD1-OG 2.81Å; N368-H392 HydrophobicContact CB-CB 4.16Å; N368-H392 WeakPolarHBondContact OD1-CB 3.3Å
369	L	98.3	Very high	95.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.			trans	-118.7	9.6	177.3	-69.8	167.4	0	0	0	111.8	L345 L350 F358 M367 N372 F382 L391 H392 L393 S396	L345-L369 HydrophobicContact CB-CD2 3.82Å; L345-L369 HydrophobicContact CD1-CD2 3.75Å; L345-L369 HydrophobicContact CG-CD2 4.47Å; L350-L369 HydrophobicContact CD1-CD2 3.95Å; F358-L369 HydrophobicContact CZ-CD1 4.13Å; M367-L369 HydrophobicContact CG-CD1 4.33Å; M367-L369 HydrophobicContact CG-CG 4.21Å; M367-L369 HydrophobicContact SD-CD1 3.89Å; M367-L369 HydrophobicContact SD-CG 4.36Å; L369-N372 PolarHBondContact O-ND2 3.07Å; L369-F382 HydrophobicContact CD1-CE1 4.24Å; L369-L391 HydrophobicContact CD1-CD1 4.36Å; L369-H392 CarbonylContact C-O 3.46Å; L369-H392 WeakPolarHBondContact CA-O 3.4Å; L369-H392 PolarHBondContact N-O 2.74Å; L369-L393 HydrophobicContact CB-CD2 3.8Å; L369-L393 HydrophobicContact CD1-CD2 4.04Å; L369-S396 PolarHBondContact O-OG 3.35Å
370	S	98.3	Very high	94.9	Very high	14 Å²	14	40.7 Å²	40.7	10%	0.098	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	157.1	-176.8	62	0	0	0	0	113.6	D346 H347 N368 N372 H392 E394	D346-S370 CarbonylContact C-O 3.57Å; D346-S370 WeakPolarHBondContact CA-O 3.09Å; D346-S370 WeakPolarHBondContact CB-O 3.23Å; D346-S370 WeakPolarHBondContact CB-OG 3.42Å; H347-S370 PolarHBondContact N-O 3.02Å; N368-S370 VanDerWaalsContact OD1-CB 3.28Å; N368-S370 WeakPolarHBondContact OD1-CB 3.46Å; N368-S370 PolarHBondContact OD1-N 3.46Å; N368-S370 PolarHBondContact OD1-OG 2.81Å; S370-N372 PolarHBondContact O-N 3.17Å; S370-N372 PolarHBondContact O-ND2 3.26Å; S370-H392 PolarHBondContact N-O 3.12Å; S370-E394 CarbonylContact C-O 3.6Å; S370-E394 WeakPolarHBondContact CA-O 3.43Å; S370-E394 VanDerWaalsContact CB-O 3.28Å; S370-E394 WeakPolarHBondContact CB-O 3.42Å
371	G	97.6	Very high	95.1	Very high	27 Å²	27	39.1 Å²	39.1	28%	0.278	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	23	177.6	0	0	0	0	0	114.3	H347 E394	H347-G371 WeakPolarHBondContact CA-O 3.46Å; G371-E394 PolarHBondContact N-O 2.67Å
372	N	97.5	Very high	95.1	Very high	6 Å²	6	39 Å²	39	3%	0.032	21%	0.21	C	C	.	.			trans	-96	-174.3	168.7	-78.8	-76.6	0	0	0	110.6	L345 N348 Q349 L350 L369 S370 L374 S396	L345-N372 PolarHBondContact O-ND2 2.95Å; N348-N372 VanDerWaalsContact CA-OD1 3.27Å; N348-N372 WeakPolarHBondContact CA-OD1 3.19Å; N348-N372 WeakPolarHBondContact CB-OD1 3.41Å; N348-N372 PolarHBondContact N-OD1 2.85Å; N348-N372 PolarHBondContact O-OD1 3.05Å; Q349-N372 PolarHBondContact N-OD1 3.25Å; L350-N372 HydrophobicContact CB-CB 3.99Å; L350-N372 VanDerWaalsContact CB-OD1 3.25Å; L350-N372 WeakPolarHBondContact CB-OD1 3.37Å; L350-N372 WeakPolarHBondContact CG-OD1 3.3Å; L350-N372 PolarHBondContact N-OD1 3.04Å; L369-N372 PolarHBondContact O-ND2 3.07Å; S370-N372 PolarHBondContact O-N 3.17Å; S370-N372 PolarHBondContact O-ND2 3.26Å; N372-L374 HydrophobicContact CB-CD2 4.47Å; N372-L374 HydrophobicContact CB-CG 4.2Å; N372-S396 CarbonylContact O-C 3.56Å; N372-S396 VanDerWaalsContact O-CA 3.24Å; N372-S396 WeakPolarHBondContact O-CA 3.45Å
373	C	95	Very high	95	Very high	50 Å²	50	43.3 Å²	43.3	34%	0.338	22%	0.218	S	C	.	.			trans	-137.1	66.2	173.6	-159.3	0	0	0	0	109.9	L350 Q351 R375 S396 C397	L350-C373 CarbonylContact O-C 3.55Å; L350-C373 PolarHBondContact O-N 3.3Å; L350-C373 VanDerWaalsContact O-O 3.13Å; Q351-C373 WeakPolarHBondContact CA-O 3.31Å; C373-R375 PolarHBondContact O-N 2.83Å; C373-S396 CarbonylContact C-O 3.07Å; C373-C397 WeakPolarHBondContact CA-SG 3.11Å; C373-C397 HydrophobicContact CB-CB 3.94Å; C373-C397 WeakPolarHBondContact CB-SG 3.14Å; C373-C397 WeakPolarHBondContact SG-CB 3.26Å; C373-C397 CovalentContact SG-SG 2.06Å; C373-C397 PolarHBondContact SG-SG 3.04Å
374	L	94.4	Very high	94.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.235	C	C	.	.			trans	-65.8	-24.5	-168.6	-65.8	171.3	0	0	0	112.8	L350 Q351 V353 N372 N376 L377 L393 S396 L398	L350-L374 HydrophobicContact CB-CD2 3.63Å; L350-L374 PolarHBondContact O-N 3.39Å; Q351-L374 VanDerWaalsContact O-O 3.05Å; V353-L374 HydrophobicContact CG2-CD2 3.75Å; N372-L374 HydrophobicContact CB-CD2 4.47Å; N372-L374 HydrophobicContact CB-CG 4.2Å; L374-N376 PolarHBondContact O-N 3.37Å; L374-L377 HydrophobicContact CD1-CD2 4.03Å; L374-L393 HydrophobicContact CD1-CD2 3.8Å; L374-S396 PolarHBondContact N-O 2.82Å; L374-L398 HydrophobicContact CB-CD2 4.02Å; L374-L398 HydrophobicContact CD1-CD2 4.38Å
375	R	90.2	Very high	94.5	Very high	166 Å²	166	44.2 Å²	44.2	63%	0.626	24%	0.235	S	C	*	.	S	Bend	trans	62.9	-44.3	-175.5	-56.1	179.8	177.5	179.8	0.5	114.9	C373 C397 L398	C373-R375 PolarHBondContact O-N 2.83Å; R375-C397 WeakPolarHBondContact CA-O 3.46Å; R375-L398 CarbonylContact O-C 3.45Å
376	N	87.9	Confident	94.4	Very high	92 Å²	92	44.5 Å²	44.5	49%	0.492	24%	0.241	S	C	.	.			trans	-153.2	164.2	170.9	62.6	17.7	0	0	0	110.6	L374	L374-N376 PolarHBondContact O-N 3.37Å
377	L	93.3	Very high	94.3	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.047	25%	0.25	C	S	.	.			trans	-120.2	122.9	172.3	-75.3	169.1	0	0	0	108.1	L374 V381 F382 L393 L398 T405	L374-L377 HydrophobicContact CD1-CD2 4.03Å; L377-V381 HydrophobicContact CB-CG1 4.42Å; L377-V381 HydrophobicContact CD2-CG1 4.29Å; L377-F382 HydrophobicContact CD1-CE2 4.09Å; L377-F382 HydrophobicContact CD1-CZ 4.15Å; L377-F382 HydrophobicContact CD2-CZ 4.28Å; L377-L393 HydrophobicContact CD1-CD1 3.94Å; L377-L393 HydrophobicContact CD1-CD2 4.28Å; L377-L398 HydrophobicContact CD1-CD1 4.32Å; L377-L398 HydrophobicContact CD1-CD2 3.89Å; L377-L398 HydrophobicContact CG-CD2 3.81Å; L377-T405 HydrophobicContact CB-CG2 3.56Å; L377-T405 HydrophobicContact CD1-CG2 4.07Å; L377-T405 HydrophobicContact CG-CG2 4.48Å
378	P	91.9	Very high	94.3	Very high	40 Å²	40	47.7 Å²	47.7	26%	0.26	25%	0.25	S	S	.	.			trans	-66.9	154.6	179	22.7	-25.9	0	0	0	111.3	V353 V355 V381	V353-P378 VanDerWaalsContact O-CG 3.31Å; V353-P378 WeakPolarHBondContact O-CG 3.37Å; V355-P378 HydrophobicContact CG2-CB 3.85Å; V355-P378 HydrophobicContact CG2-CG 3.97Å; P378-V381 HydrophobicContact CG-CB 4Å; P378-V381 HydrophobicContact CG-CG2 4.08Å; P378-V381 WeakPolarHBondContact O-CB 3.34Å; P378-V381 WeakPolarHBondContact O-CG1 3.36Å; P378-V381 PolarHBondContact O-N 2.86Å
379	E	89.9	Confident	94.3	Very high	107 Å²	107	49.7 Å²	49.7	50%	0.5	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	140.9	176	-61.1	-176.6	-169.1	0	0	110.9	V381	E379-V381 PolarHBondContact O-N 3.31Å; E379-V381 VanDerWaalsContact O-N 3.09Å
380	Q	87.8	Confident	94.3	Very high	90 Å²	90	49.7 Å²	49.7	42%	0.421	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	17.3	177.6	-46.9	-179.3	6.3	0	0	115.1	F382 R383 H404	Q380-F382 PolarHBondContact O-N 3.07Å; Q380-F382 VanDerWaalsContact O-N 3.12Å; Q380-R383 HydrophobicContact CB-CB 4.39Å; Q380-R383 WeakPolarHBondContact O-CB 3.12Å; Q380-R383 PolarHBondContact O-N 3.33Å; Q380-H404 PolarHBondContact N-O 3.08Å
381	V	94.2	Very high	94.3	Very high	2 Å²	2	49 Å²	49	1%	0.012	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.5	178.9	68.1	0	0	0	0	112.7	V353 F358 L377 P378 E379	V353-V381 HydrophobicContact CB-CG2 4.22Å; V353-V381 HydrophobicContact CG1-CG2 3.53Å; F358-V381 HydrophobicContact CD2-CG2 4.46Å; F358-V381 HydrophobicContact CE2-CG2 4.21Å; L377-V381 HydrophobicContact CB-CG1 4.42Å; L377-V381 HydrophobicContact CD2-CG1 4.29Å; P378-V381 HydrophobicContact CG-CB 4Å; P378-V381 HydrophobicContact CG-CG2 4.08Å; P378-V381 WeakPolarHBondContact O-CB 3.34Å; P378-V381 WeakPolarHBondContact O-CG1 3.36Å; P378-V381 PolarHBondContact O-N 2.86Å; E379-V381 PolarHBondContact O-N 3.31Å; E379-V381 VanDerWaalsContact O-N 3.09Å
382	F	95.4	Very high	94.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	16.5	179	-57	-65.7	0	0	0	114.3	F358 M367 L369 L377 Q380 G384 L385 L391 F406 L409	F358-F382 HydrophobicContact CD2-CD1 4.06Å; F358-F382 HydrophobicContact CD2-CE1 4.37Å; F358-F382 AromaticContact CE2-CD1 3.97Å; F358-F382 HydrophobicContact CE2-CD1 3.97Å; F358-F382 AromaticContact CE2-CE1 3.81Å; F358-F382 HydrophobicContact CE2-CE1 3.81Å; F358-F382 HydrophobicContact CZ-CE1 4.49Å; M367-F382 HydrophobicContact SD-CE1 4.28Å; L369-F382 HydrophobicContact CD1-CE1 4.24Å; L377-F382 HydrophobicContact CD1-CE2 4.09Å; L377-F382 HydrophobicContact CD1-CZ 4.15Å; L377-F382 HydrophobicContact CD2-CZ 4.28Å; Q380-F382 PolarHBondContact O-N 3.07Å; Q380-F382 VanDerWaalsContact O-N 3.12Å; F382-G384 PolarHBondContact O-N 3.4Å; F382-L385 HydrophobicContact CB-CD1 4.03Å; F382-L385 HydrophobicContact CD1-CD1 3.82Å; F382-L385 HydrophobicContact CG-CD1 4.42Å; F382-L385 WeakPolarHBondContact O-CB 3.47Å; F382-L385 WeakPolarHBondContact O-CG 3.35Å; F382-L385 PolarHBondContact O-N 2.93Å; F382-L391 HydrophobicContact CE1-CD1 4.33Å; F382-L391 HydrophobicContact CE1-CD2 4.24Å; F382-L391 HydrophobicContact CE2-CD2 4.08Å; F382-L391 HydrophobicContact CZ-CD1 4.48Å; F382-L391 HydrophobicContact CZ-CD2 3.89Å; F382-F406 HydrophobicContact CD2-CD1 4.17Å; F382-F406 AromaticContact CE2-CD1 3.92Å; F382-F406 HydrophobicContact CE2-CD1 3.92Å; F382-F406 HydrophobicContact CE2-CE1 4.11Å; F382-L409 HydrophobicContact CB-CD1 4.12Å; F382-L409 HydrophobicContact CB-CD2 3.67Å; F382-L409 HydrophobicContact CB-CG 3.8Å; F382-L409 HydrophobicContact CD2-CD1 4Å; F382-L409 HydrophobicContact CG-CD1 4.1Å; F382-L409 HydrophobicContact CG-CD2 4.29Å; F382-L409 HydrophobicContact CG-CG 4.33Å
383	R	92.3	Very high	94.4	Very high	169 Å²	169	49.2 Å²	49.2	64%	0.638	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	129	179.9	-177.1	177.6	177.5	-179.2	-1.5	111.1	Q380	Q380-R383 HydrophobicContact CB-CB 4.39Å; Q380-R383 WeakPolarHBondContact O-CB 3.12Å; Q380-R383 PolarHBondContact O-N 3.33Å
384	G	90.8	Very high	94.5	Very high	53 Å²	53	49.1 Å²	49.1	55%	0.546	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	-8.5	179.2	0	0	0	0	0	114.5	F382 G386	F382-G384 PolarHBondContact O-N 3.4Å; G384-G386 PolarHBondContact O-N 3.34Å
385	L	96.1	Very high	94.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.254	C	S	.	.			trans	-86.5	45.6	-179.9	-52.3	-174.5	0	0	0	112.6	F358 L361 V364 M367 F382 K387 L388 L409	F358-L385 HydrophobicContact CB-CD1 4.08Å; F358-L385 HydrophobicContact CB-CD2 4.08Å; F358-L385 HydrophobicContact CB-CG 4.42Å; F358-L385 HydrophobicContact CD2-CD1 4.4Å; F358-L385 HydrophobicContact CG-CD1 4.31Å; L361-L385 HydrophobicContact CB-CD2 3.74Å; L361-L385 VanDerWaalsContact O-CD2 3.29Å; L361-L385 WeakPolarHBondContact O-CD2 3.49Å; V364-L385 HydrophobicContact CG1-CD2 3.76Å; V364-L385 HydrophobicContact CG1-CG 4.5Å; M367-L385 HydrophobicContact CE-CD1 3.58Å; F382-L385 HydrophobicContact CB-CD1 4.03Å; F382-L385 HydrophobicContact CD1-CD1 3.82Å; F382-L385 HydrophobicContact CG-CD1 4.42Å; F382-L385 WeakPolarHBondContact O-CB 3.47Å; F382-L385 WeakPolarHBondContact O-CG 3.35Å; F382-L385 PolarHBondContact O-N 2.93Å; L385-K387 PolarHBondContact O-N 3.06Å; L385-K387 VanDerWaalsContact O-N 3.14Å; L385-L388 HydrophobicContact CB-CB 4.19Å; L385-L388 HydrophobicContact CD1-CD2 4.48Å; L385-L388 VanDerWaalsContact O-CB 3.32Å; L385-L388 WeakPolarHBondContact O-CB 3.47Å; L385-L388 PolarHBondContact O-N 2.9Å; L385-L388 VanDerWaalsContact O-N 3.09Å; L385-L409 HydrophobicContact CB-CD2 3.78Å
386	G	94.9	Very high	95	Very high	29 Å²	29	42.4 Å²	42.4	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.7	-173.5	0	0	0	0	0	115	G384 G411	G384-G386 PolarHBondContact O-N 3.34Å; G386-G411 WeakPolarHBondContact O-CA 3.49Å; G386-G411 PolarHBondContact O-N 2.99Å
387	K	96.9	Very high	95.3	Very high	113 Å²	113	40.7 Å²	40.7	49%	0.491	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.3	176	-69	-170.9	-178.9	176.1	0	114	T362 N363 V364 L385 H389	T362-K387 WeakPolarHBondContact O-CD 3.31Å; N363-K387 PolarHBondContact OD1-NZ 3.13Å; V364-K387 CarbonylContact O-C 3.23Å; L385-K387 PolarHBondContact O-N 3.06Å; L385-K387 VanDerWaalsContact O-N 3.14Å; K387-H389 PolarHBondContact O-CE1 3.41Å; K387-H389 PolarHBondContact O-N 2.74Å; K387-H389 PolarHBondContact O-ND1 3.36Å; K387-H389 VanDerWaalsContact O-ND1 3.16Å
388	L	98.4	Very high	95.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.			trans	-65.9	123.7	178.9	-171.2	70.7	0	0	0	109.2	V364 M367 L385 L391 L409 G411 L412	V364-L388 HydrophobicContact CG1-CD1 4.05Å; V364-L388 HydrophobicContact CG2-CD1 4.18Å; V364-L388 WeakPolarHBondContact O-CA 3.27Å; V364-L388 PolarHBondContact O-N 3.48Å; V364-L388 VanDerWaalsContact O-N 3.13Å; M367-L388 HydrophobicContact CB-CD1 3.67Å; M367-L388 HydrophobicContact CB-CD2 4.39Å; L385-L388 HydrophobicContact CB-CB 4.19Å; L385-L388 HydrophobicContact CD1-CD2 4.48Å; L385-L388 VanDerWaalsContact O-CB 3.32Å; L385-L388 WeakPolarHBondContact O-CB 3.47Å; L385-L388 PolarHBondContact O-N 2.9Å; L385-L388 VanDerWaalsContact O-N 3.09Å; L388-L391 HydrophobicContact CD2-CB 4.03Å; L388-L391 HydrophobicContact CD2-CD1 4.31Å; L388-L391 HydrophobicContact CD2-CD2 4.5Å; L388-L409 HydrophobicContact CB-CD2 4.1Å; L388-L409 HydrophobicContact CD2-CD2 3.62Å; L388-L409 HydrophobicContact CG-CD2 4.48Å; L388-G411 CarbonylContact O-C 3.23Å; L388-L412 HydrophobicContact CD2-CD1 4.07Å; L388-L412 HydrophobicContact CG-CD1 4.05Å; L388-L412 WeakPolarHBondContact O-CA 3.47Å; L388-L412 PolarHBondContact O-N 3.29Å; L388-L412 VanDerWaalsContact O-N 3.12Å
389	H	98.4	Very high	95.6	Very high	75 Å²	75	40 Å²	40	35%	0.347	22%	0.22	S	C	.	.			trans	-102.8	-33	-179.1	-65	113.4	0	0	0	112.4	A365 K387 G411 R413 R414	A365-H389 WeakPolarHBondContact O-CA 3.24Å; A365-H389 WeakPolarHBondContact O-CB 3.08Å; A365-H389 PolarHBondContact O-N 3.01Å; K387-H389 PolarHBondContact O-CE1 3.41Å; K387-H389 PolarHBondContact O-N 2.74Å; K387-H389 PolarHBondContact O-ND1 3.36Å; K387-H389 VanDerWaalsContact O-ND1 3.16Å; H389-G411 PolarHBondContact CD2-O 3.13Å; H389-R413 PolarHBondContact CD2-NE 3.05Å; H389-R413 WeakPolarHBondContact O-CA 3.46Å; H389-R413 WeakPolarHBondContact O-CB 3.49Å; H389-R413 PolarHBondContact O-N 3.31Å; H389-R414 PolarHBondContact O-N 3.23Å
390	S	98.8	Very high	95.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.6	-177	-152.4	0	0	0	0	110.4	A365 M367 H392	A365-S390 PolarHBondContact O-N 3.36Å; M367-S390 PolarHBondContact N-O 3.27Å; S390-H392 PolarHBondContact OG-NE2 2.81Å
391	L	98.8	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.9	175.2	179.7	57.7	0	0	0	109.8	M367 L369 F382 L388 L393 F406 L409 L412 R414 L415 F416	M367-L391 HydrophobicContact CB-CD1 4.15Å; M367-L391 HydrophobicContact CG-CD1 4.26Å; M367-L391 HydrophobicContact SD-CD1 4.28Å; L369-L391 HydrophobicContact CD1-CD1 4.36Å; F382-L391 HydrophobicContact CE1-CD1 4.33Å; F382-L391 HydrophobicContact CE1-CD2 4.24Å; F382-L391 HydrophobicContact CE2-CD2 4.08Å; F382-L391 HydrophobicContact CZ-CD1 4.48Å; F382-L391 HydrophobicContact CZ-CD2 3.89Å; L388-L391 HydrophobicContact CD2-CB 4.03Å; L388-L391 HydrophobicContact CD2-CD1 4.31Å; L388-L391 HydrophobicContact CD2-CD2 4.5Å; L391-L393 HydrophobicContact CD1-CD1 4.46Å; L391-L393 HydrophobicContact CD1-CG 4.27Å; L391-L393 HydrophobicContact CD2-CD1 3.83Å; L391-L393 HydrophobicContact CD2-CG 4.5Å; L391-L393 HydrophobicContact CG-CD1 3.96Å; L391-L393 HydrophobicContact CG-CG 4.12Å; L391-F406 HydrophobicContact CD2-CD1 4.19Å; L391-F406 HydrophobicContact CD2-CE1 4.12Å; L391-L409 HydrophobicContact CD2-CD1 3.81Å; L391-L412 HydrophobicContact CB-CD1 3.81Å; L391-R414 PolarHBondContact N-O 3.09Å; L391-L415 HydrophobicContact CB-CD1 4.16Å; L391-L415 HydrophobicContact CD2-CD1 4Å; L391-L415 HydrophobicContact CG-CD1 4.15Å; L391-F416 PolarHBondContact O-N 3.37Å
392	H	98.8	Very high	96.2	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.171	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.2	179.5	-65.1	-94.9	0	0	0	109.4	M367 N368 L369 S370 S390 E394 F416	M367-H392 PolarHBondContact O-N 3.21Å; N368-H392 HydrophobicContact CB-CB 4.16Å; N368-H392 WeakPolarHBondContact OD1-CB 3.3Å; L369-H392 CarbonylContact C-O 3.46Å; L369-H392 WeakPolarHBondContact CA-O 3.4Å; L369-H392 PolarHBondContact N-O 2.74Å; S370-H392 PolarHBondContact N-O 3.12Å; S390-H392 PolarHBondContact OG-NE2 2.81Å; H392-E394 WeakPolarHBondContact CA-OE2 3.18Å; H392-E394 WeakPolarHBondContact CB-OE2 3.41Å; H392-E394 IonicContact CE1-OE1 3Å; H392-E394 IonicContact CG-OE1 3.8Å; H392-E394 IonicContact CG-OE2 2.72Å; H392-E394 IonicContact ND1-OE1 3.67Å; H392-E394 PolarHBondContact ND1-OE1 3.45Å; H392-E394 IonicContact ND1-OE2 3.25Å; H392-F416 AromaticContact CE1-CD2 3.29Å; H392-F416 WeakPolarHBondContact CE1-CD2 3.44Å; H392-F416 AromaticContact CE1-CE2 3.29Å; H392-F416 WeakPolarHBondContact CE1-CE2 3.37Å; H392-F416 AromaticContact CG-CD2 3.91Å; H392-F416 AromaticContact ND1-CD2 3.3Å; H392-F416 VanDerWaalsContact ND1-CD2 3.3Å; H392-F416 WeakPolarHBondContact ND1-CD2 3.47Å; H392-F416 AromaticContact ND1-CE2 3.82Å; H392-F416 AromaticContact ND1-CG 3.98Å; H392-F416 AromaticContact NE2-CD2 3.88Å; H392-F416 AromaticContact NE2-CE2 3.78Å
393	L	98.1	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.			trans	-129.5	17.9	179.9	-75.6	166	0	0	0	111.4	L369 L374 L377 L391 S396 F406 L415 F416 L417 N420	L369-L393 HydrophobicContact CB-CD2 3.8Å; L369-L393 HydrophobicContact CD1-CD2 4.04Å; L374-L393 HydrophobicContact CD1-CD2 3.8Å; L377-L393 HydrophobicContact CD1-CD1 3.94Å; L377-L393 HydrophobicContact CD1-CD2 4.28Å; L391-L393 HydrophobicContact CD1-CD1 4.46Å; L391-L393 HydrophobicContact CD1-CG 4.27Å; L391-L393 HydrophobicContact CD2-CD1 3.83Å; L391-L393 HydrophobicContact CD2-CG 4.5Å; L391-L393 HydrophobicContact CG-CD1 3.96Å; L391-L393 HydrophobicContact CG-CG 4.12Å; L393-S396 WeakPolarHBondContact O-CB 3.48Å; L393-S396 PolarHBondContact O-N 2.96Å; L393-S396 PolarHBondContact O-OG 3.18Å; L393-F406 HydrophobicContact CD1-CE1 3.81Å; L393-F406 HydrophobicContact CD1-CZ 4.29Å; L393-L415 HydrophobicContact CD1-CD1 4.43Å; L393-F416 CarbonylContact C-O 3.51Å; L393-F416 WeakPolarHBondContact CA-O 3.21Å; L393-F416 WeakPolarHBondContact CB-O 3.42Å; L393-F416 PolarHBondContact N-O 2.89Å; L393-L417 HydrophobicContact CB-CD2 3.88Å; L393-L417 HydrophobicContact CD1-CD2 3.99Å; L393-N420 PolarHBondContact O-ND2 2.88Å; L393-N420 PolarHBondContact O-OD1 3.29Å
394	E	97.9	Very high	96.1	Very high	47 Å²	47	37.1 Å²	37.1	22%	0.22	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	140	-179.7	-55	89.9	143.8	0	0	110.5	S370 G371 H392 S396 F416 K418	S370-E394 CarbonylContact C-O 3.6Å; S370-E394 WeakPolarHBondContact CA-O 3.43Å; S370-E394 VanDerWaalsContact CB-O 3.28Å; S370-E394 WeakPolarHBondContact CB-O 3.42Å; G371-E394 PolarHBondContact N-O 2.67Å; H392-E394 WeakPolarHBondContact CA-OE2 3.18Å; H392-E394 WeakPolarHBondContact CB-OE2 3.41Å; H392-E394 IonicContact CE1-OE1 3Å; H392-E394 IonicContact CG-OE1 3.8Å; H392-E394 IonicContact CG-OE2 2.72Å; H392-E394 IonicContact ND1-OE1 3.67Å; H392-E394 PolarHBondContact ND1-OE1 3.45Å; H392-E394 IonicContact ND1-OE2 3.25Å; E394-S396 VanDerWaalsContact C-N 3.28Å; E394-S396 PolarHBondContact O-N 3.39Å; E394-S396 PolarHBondContact O-OG 3.36Å; E394-F416 HydrophobicContact CG-CB 3.81Å; E394-F416 WeakPolarHBondContact OE1-CB 3.35Å; E394-K418 CarbonylContact C-O 3.43Å; E394-K418 WeakPolarHBondContact CA-O 3.2Å; E394-K418 HydrophobicContact CB-CB 4.42Å; E394-K418 HydrophobicContact CG-CB 4.03Å
395	G	97.1	Very high	96.2	Very high	26 Å²	26	34.8 Å²	34.8	27%	0.268	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	27	174.5	0	0	0	0	0	115	K418 D419	G395-K418 PolarHBondContact N-O 3.17Å; G395-D419 WeakPolarHBondContact CA-O 3.28Å; G395-D419 PolarHBondContact N-O 3.27Å
396	S	96.6	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.			trans	-100.2	14.4	-168.9	-63.3	0	0	0	0	116.2	L369 N372 C373 L374 L393 E394 L398 N420	L369-S396 PolarHBondContact O-OG 3.35Å; N372-S396 CarbonylContact O-C 3.56Å; N372-S396 VanDerWaalsContact O-CA 3.24Å; N372-S396 WeakPolarHBondContact O-CA 3.45Å; C373-S396 CarbonylContact C-O 3.07Å; L374-S396 PolarHBondContact N-O 2.82Å; L393-S396 WeakPolarHBondContact O-CB 3.48Å; L393-S396 PolarHBondContact O-N 2.96Å; L393-S396 PolarHBondContact O-OG 3.18Å; E394-S396 VanDerWaalsContact C-N 3.28Å; E394-S396 PolarHBondContact O-N 3.39Å; E394-S396 PolarHBondContact O-OG 3.36Å; S396-L398 VanDerWaalsContact C-N 3.26Å; S396-L398 PolarHBondContact O-N 3.14Å; S396-N420 VanDerWaalsContact CA-OD1 3.28Å; S396-N420 WeakPolarHBondContact CA-OD1 3.21Å; S396-N420 WeakPolarHBondContact CB-OD1 3.24Å; S396-N420 PolarHBondContact N-OD1 2.96Å
397	C	95.8	Very high	96.1	Very high	57 Å²	57	34.7 Å²	34.7	39%	0.385	18%	0.182	S	C	.	.			trans	54.2	29	179.5	-52.8	0	0	0	0	115.6	C373 R375 G399 N420	C373-C397 WeakPolarHBondContact CA-SG 3.11Å; C373-C397 HydrophobicContact CB-CB 3.94Å; C373-C397 WeakPolarHBondContact CB-SG 3.14Å; C373-C397 WeakPolarHBondContact SG-CB 3.26Å; C373-C397 CovalentContact SG-SG 2.06Å; C373-C397 PolarHBondContact SG-SG 3.04Å; R375-C397 WeakPolarHBondContact CA-O 3.46Å; C397-G399 PolarHBondContact O-N 3.25Å; C397-N420 PolarHBondContact N-OD1 2.06Å
398	L	95.5	Very high	95.8	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	18%	0.178	C	C	.	.			trans	-65	-33.9	-170.9	-67.8	174.1	0	0	0	114	L374 R375 L377 S396 R400 L417 N420 L422	L374-L398 HydrophobicContact CB-CD2 4.02Å; L374-L398 HydrophobicContact CD1-CD2 4.38Å; R375-L398 CarbonylContact O-C 3.45Å; L377-L398 HydrophobicContact CD1-CD1 4.32Å; L377-L398 HydrophobicContact CD1-CD2 3.89Å; L377-L398 HydrophobicContact CG-CD2 3.81Å; S396-L398 VanDerWaalsContact C-N 3.26Å; S396-L398 PolarHBondContact O-N 3.14Å; L398-R400 PolarHBondContact O-N 3.17Å; L398-L417 HydrophobicContact CD1-CD2 3.67Å; L398-N420 HydrophobicContact CB-CB 4.24Å; L398-N420 WeakPolarHBondContact CG-OD1 3.49Å; L398-N420 PolarHBondContact N-O 3.18Å; L398-N420 PolarHBondContact N-OD1 2.83Å; L398-L422 HydrophobicContact CB-CD2 3.84Å
399	G	94.9	Very high	95.7	Very high	28 Å²	28	31.2 Å²	31.2	29%	0.289	18%	0.178	S	C	.	.			trans	67.1	-42.6	177.7	0	0	0	0	0	116.5	C397 N420 L422 V423	C397-G399 PolarHBondContact O-N 3.25Å; G399-N420 PolarHBondContact N-O 2.82Å; G399-N420 VanDerWaalsContact N-O 3.12Å; G399-L422 CarbonylContact O-C 3.03Å; G399-L422 WeakPolarHBondContact O-CA 3.47Å; G399-V423 PolarHBondContact O-N 2.96Å
400	R	95.5	Very high	95.5	Very high	126 Å²	126	31.1 Å²	31.1	48%	0.475	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.1	175.6	-178	176.5	-93.5	-137.8	2.3	110.2	L398 G424 E426	L398-R400 PolarHBondContact O-N 3.17Å; R400-G424 WeakPolarHBondContact CA-O 3.25Å; R400-E426 WeakPolarHBondContact CD-OE1 3.34Å; R400-E426 IonicContact CZ-OE1 3.49Å; R400-E426 IonicContact NE-OE1 2.72Å; R400-E426 IonicContact NH1-OE1 3.64Å; R400-E426 PolarHBondContact NH1-OE1 2.6Å
401	I	95.6	Very high	95.4	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.8	172.9	-53.7	-179.6	0	0	0	108.7	T405 F406 L417 L422 G424 I425 E426 S429	I401-T405 HydrophobicContact CG2-CG2 4.44Å; I401-F406 HydrophobicContact CD1-CE2 4.11Å; I401-F406 HydrophobicContact CD1-CZ 4.39Å; I401-F406 HydrophobicContact CG2-CD2 4.42Å; I401-F406 HydrophobicContact CG2-CE2 3.75Å; I401-F406 HydrophobicContact CG2-CZ 4.49Å; I401-L417 HydrophobicContact CD1-CD1 3.71Å; I401-L417 HydrophobicContact CD1-CD2 4.3Å; I401-L422 HydrophobicContact CD1-CD1 3.81Å; I401-L422 HydrophobicContact CD1-CD2 4.28Å; I401-L422 HydrophobicContact CG1-CD1 4.24Å; I401-L422 HydrophobicContact CG1-CD2 3.78Å; I401-G424 PolarHBondContact N-O 2.97Å; I401-I425 HydrophobicContact CB-CG2 4.15Å; I401-I425 HydrophobicContact CD1-CD1 4.4Å; I401-I425 HydrophobicContact CD1-CG1 4.17Å; I401-I425 HydrophobicContact CG1-CG1 4.45Å; I401-E426 PolarHBondContact O-N 2.79Å; I401-S429 PolarHBondContact O-OG 3.21Å
402	H	94.5	Very high	95.3	Very high	66 Å²	66	31.8 Å²	31.8	31%	0.306	19%	0.192	S	C	.	.			trans	-97.5	162.2	-177.9	-68.5	-64.3	0	0	0	111.9	H404 T405 E426 S429	H402-H404 PolarHBondContact O-N 3.05Å; H402-T405 PolarHBondContact N-OG1 3.3Å; H402-T405 WeakPolarHBondContact O-CB 3.08Å; H402-T405 PolarHBondContact O-N 2.65Å; H402-T405 PolarHBondContact O-OG1 3.27Å; H402-E426 IonicContact CE1-OE1 2.99Å; H402-E426 IonicContact ND1-OE1 3.66Å; H402-E426 PolarHBondContact ND1-OE1 3Å; H402-E426 IonicContact ND1-OE2 2.85Å; H402-S429 VanDerWaalsContact C-OG 3.3Å; H402-S429 PolarHBondContact O-OG 2.99Å; H402-S429 VanDerWaalsContact O-OG 3.08Å
403	P	93.8	Very high	95.3	Very high	25 Å²	25	35 Å²	35	16%	0.162	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	140	177.3	-26.9	36.8	0	0	0	111.2	T405 E426 Q428	P403-T405 PolarHBondContact O-N 2.88Å; P403-E426 WeakPolarHBondContact CD-OE2 3.25Å; P403-E426 HydrophobicContact CG-CB 4.06Å; P403-Q428 HydrophobicContact CB-CB 4.31Å
404	H	90.9	Very high	95.4	Very high	86 Å²	86	40.2 Å²	40.2	40%	0.398	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	13.5	176.4	-43	94.9	0	0	0	116.1	Q380 H402 F406 A407 Q428	Q380-H404 PolarHBondContact N-O 3.08Å; H402-H404 PolarHBondContact O-N 3.05Å; H404-F406 PolarHBondContact O-N 3.4Å; H404-A407 HydrophobicContact CB-CB 4.08Å; H404-A407 VanDerWaalsContact O-CB 3.27Å; H404-A407 WeakPolarHBondContact O-CB 3.21Å; H404-A407 PolarHBondContact O-N 3.01Å; H404-A407 VanDerWaalsContact O-N 3.12Å; H404-Q428 PolarHBondContact N-O 3.41Å
405	T	93.4	Very high	95.4	Very high	4 Å²	4	38 Å²	38	3%	0.025	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-41	174.1	-69.9	0	0	0	0	111.9	L377 I401 H402 P403	L377-T405 HydrophobicContact CB-CG2 3.56Å; L377-T405 HydrophobicContact CD1-CG2 4.07Å; L377-T405 HydrophobicContact CG-CG2 4.48Å; I401-T405 HydrophobicContact CG2-CG2 4.44Å; H402-T405 PolarHBondContact N-OG1 3.3Å; H402-T405 WeakPolarHBondContact O-CB 3.08Å; H402-T405 PolarHBondContact O-N 2.65Å; H402-T405 PolarHBondContact O-OG1 3.27Å; P403-T405 PolarHBondContact O-N 2.88Å
406	F	95.5	Very high	95.5	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	13.6	-178.9	-58.2	-66.9	0	0	0	114.2	F382 L391 L393 I401 H404 G408 L409 L415 L417 S429 L430 L433	F382-F406 HydrophobicContact CD2-CD1 4.17Å; F382-F406 AromaticContact CE2-CD1 3.92Å; F382-F406 HydrophobicContact CE2-CD1 3.92Å; F382-F406 HydrophobicContact CE2-CE1 4.11Å; L391-F406 HydrophobicContact CD2-CD1 4.19Å; L391-F406 HydrophobicContact CD2-CE1 4.12Å; L393-F406 HydrophobicContact CD1-CE1 3.81Å; L393-F406 HydrophobicContact CD1-CZ 4.29Å; I401-F406 HydrophobicContact CD1-CE2 4.11Å; I401-F406 HydrophobicContact CD1-CZ 4.39Å; I401-F406 HydrophobicContact CG2-CD2 4.42Å; I401-F406 HydrophobicContact CG2-CE2 3.75Å; I401-F406 HydrophobicContact CG2-CZ 4.49Å; H404-F406 PolarHBondContact O-N 3.4Å; F406-G408 PolarHBondContact O-N 3.28Å; F406-L409 HydrophobicContact CB-CD1 4.11Å; F406-L409 HydrophobicContact CD1-CD1 4Å; F406-L409 WeakPolarHBondContact O-CB 3.21Å; F406-L409 WeakPolarHBondContact O-CG 3.29Å; F406-L409 PolarHBondContact O-N 2.91Å; F406-L415 HydrophobicContact CD2-CD2 4.26Å; F406-L415 HydrophobicContact CE1-CD1 4.03Å; F406-L415 HydrophobicContact CE1-CD2 4.36Å; F406-L415 HydrophobicContact CE2-CD2 4.05Å; F406-L415 HydrophobicContact CG-CD2 4.5Å; F406-L415 HydrophobicContact CZ-CD1 4.27Å; F406-L415 HydrophobicContact CZ-CD2 4.11Å; F406-L417 HydrophobicContact CE2-CD1 4.42Å; F406-L417 HydrophobicContact CZ-CD1 4.19Å; F406-L417 HydrophobicContact CZ-CD2 4.19Å; F406-S429 WeakPolarHBondContact CD2-O 3.39Å; F406-L430 HydrophobicContact CD2-CD2 3.94Å; F406-L430 HydrophobicContact CE2-CD2 4.08Å; F406-L433 HydrophobicContact CB-CD1 4.2Å; F406-L433 HydrophobicContact CB-CD2 4.11Å; F406-L433 HydrophobicContact CB-CG 4.46Å
407	A	92.3	Very high	95.6	Very high	26 Å²	26	37.8 Å²	37.8	22%	0.215	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	137.3	179.3	0	0	0	0	0	111.7	H404	H404-A407 HydrophobicContact CB-CB 4.08Å; H404-A407 VanDerWaalsContact O-CB 3.27Å; H404-A407 WeakPolarHBondContact O-CB 3.21Å; H404-A407 PolarHBondContact O-N 3.01Å; H404-A407 VanDerWaalsContact O-N 3.12Å
408	G	90.6	Very high	95.7	Very high	40 Å²	40	38.2 Å²	38.2	41%	0.412	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-9.8	-177.4	0	0	0	0	0	114.8	F406 S410	F406-G408 PolarHBondContact O-N 3.28Å; G408-S410 PolarHBondContact O-N 2.93Å; G408-S410 VanDerWaalsContact O-N 3.11Å
409	L	96.3	Very high	95.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.224	C	C	.	.			trans	-84.9	51.2	177.1	-65	-175.3	0	0	0	112.9	F382 L385 L388 L391 F406 G411 L412 L433	F382-L409 HydrophobicContact CB-CD1 4.12Å; F382-L409 HydrophobicContact CB-CD2 3.67Å; F382-L409 HydrophobicContact CB-CG 3.8Å; F382-L409 HydrophobicContact CD2-CD1 4Å; F382-L409 HydrophobicContact CG-CD1 4.1Å; F382-L409 HydrophobicContact CG-CD2 4.29Å; F382-L409 HydrophobicContact CG-CG 4.33Å; L385-L409 HydrophobicContact CB-CD2 3.78Å; L388-L409 HydrophobicContact CB-CD2 4.1Å; L388-L409 HydrophobicContact CD2-CD2 3.62Å; L388-L409 HydrophobicContact CG-CD2 4.48Å; L391-L409 HydrophobicContact CD2-CD1 3.81Å; F406-L409 HydrophobicContact CB-CD1 4.11Å; F406-L409 HydrophobicContact CD1-CD1 4Å; F406-L409 WeakPolarHBondContact O-CB 3.21Å; F406-L409 WeakPolarHBondContact O-CG 3.29Å; F406-L409 PolarHBondContact O-N 2.91Å; L409-G411 PolarHBondContact O-N 3.35Å; L409-L412 HydrophobicContact CB-CB 4.04Å; L409-L412 HydrophobicContact CB-CD2 4.38Å; L409-L412 HydrophobicContact CD1-CD2 3.96Å; L409-L412 WeakPolarHBondContact O-CB 3.36Å; L409-L412 PolarHBondContact O-N 2.76Å; L409-L412 VanDerWaalsContact O-N 3.16Å; L409-L433 HydrophobicContact CB-CD2 3.66Å
410	S	94.3	Very high	95.9	Very high	73 Å²	73	41.8 Å²	41.8	51%	0.51	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.7	-172.1	58.9	0	0	0	0	114.9	G408 E435	G408-S410 PolarHBondContact O-N 2.93Å; G408-S410 VanDerWaalsContact O-N 3.11Å; S410-E435 WeakPolarHBondContact O-CG 3.34Å
411	G	96.5	Very high	96	Very high	13 Å²	13	36.8 Å²	36.8	13%	0.134	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	3.2	177.8	0	0	0	0	0	114.7	G386 L388 H389 L409 R413	G386-G411 WeakPolarHBondContact O-CA 3.49Å; G386-G411 PolarHBondContact O-N 2.99Å; L388-G411 CarbonylContact O-C 3.23Å; H389-G411 PolarHBondContact CD2-O 3.13Å; L409-G411 PolarHBondContact O-N 3.35Å; G411-R413 PolarHBondContact O-N 3.32Å
412	L	98.5	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.			trans	-67.5	128.2	-172.3	-165.7	73.2	0	0	0	111.3	L388 L391 L409 L415 L433 E435 L436	L388-L412 HydrophobicContact CD2-CD1 4.07Å; L388-L412 HydrophobicContact CG-CD1 4.05Å; L388-L412 WeakPolarHBondContact O-CA 3.47Å; L388-L412 PolarHBondContact O-N 3.29Å; L388-L412 VanDerWaalsContact O-N 3.12Å; L391-L412 HydrophobicContact CB-CD1 3.81Å; L409-L412 HydrophobicContact CB-CB 4.04Å; L409-L412 HydrophobicContact CB-CD2 4.38Å; L409-L412 HydrophobicContact CD1-CD2 3.96Å; L409-L412 WeakPolarHBondContact O-CB 3.36Å; L409-L412 PolarHBondContact O-N 2.76Å; L409-L412 VanDerWaalsContact O-N 3.16Å; L412-L415 HydrophobicContact CD2-CB 4Å; L412-L415 HydrophobicContact CD2-CD1 4.39Å; L412-L415 HydrophobicContact CD2-CD2 4.46Å; L412-L433 HydrophobicContact CB-CD2 4.2Å; L412-L433 HydrophobicContact CD2-CD1 4.4Å; L412-L433 HydrophobicContact CD2-CD2 3.93Å; L412-E435 CarbonylContact O-C 3.38Å; L412-L436 HydrophobicContact CD2-CD1 4.08Å; L412-L436 HydrophobicContact CG-CD1 4.14Å; L412-L436 VanDerWaalsContact O-CA 3.26Å; L412-L436 WeakPolarHBondContact O-CA 3.33Å; L412-L436 PolarHBondContact O-N 3.16Å; L412-L436 VanDerWaalsContact O-N 3.08Å
413	R	98.7	Very high	96.2	Very high	106 Å²	106	37 Å²	37	40%	0.4	21%	0.206	S	C	.	.			trans	-108.3	-32.7	-180	-64.9	175.1	-179.3	-91.7	-3.9	112.2	H389 G411 L437 E438	H389-R413 PolarHBondContact CD2-NE 3.05Å; H389-R413 WeakPolarHBondContact O-CA 3.46Å; H389-R413 WeakPolarHBondContact O-CB 3.49Å; H389-R413 PolarHBondContact O-N 3.31Å; G411-R413 PolarHBondContact O-N 3.32Å; R413-L437 HydrophobicContact CB-CD1 4.25Å; R413-L437 HydrophobicContact CB-CG 4.32Å; R413-L437 HydrophobicContact CG-CD1 4.38Å; R413-L437 WeakPolarHBondContact O-CA 3.11Å; R413-L437 WeakPolarHBondContact O-CB 3.39Å; R413-L437 PolarHBondContact O-N 3.19Å; R413-E438 PolarHBondContact O-N 3.25Å
414	R	98.8	Very high	96.2	Very high	109 Å²	109	36.1 Å²	36.1	41%	0.411	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.9	-177.1	-58.4	-176.7	-75	173.4	-2.7	110.5	H389 L391 F416 E438	H389-R414 PolarHBondContact O-N 3.23Å; L391-R414 PolarHBondContact N-O 3.09Å; R414-F416 HydrophobicContact CB-CD2 4.48Å; R414-F416 HydrophobicContact CB-CE2 3.68Å; R414-F416 HydrophobicContact CB-CZ 3.94Å; R414-F416 HydrophobicContact CG-CZ 4.5Å; R414-E438 WeakPolarHBondContact CA-O 3.24Å; R414-E438 HydrophobicContact CB-CB 4.4Å; R414-E438 WeakPolarHBondContact CD-OE2 3.29Å; R414-E438 HydrophobicContact CG-CB 4Å
415	L	98.8	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.4	177.7	178.4	55.9	0	0	0	109.4	L391 L393 F406 L412 L417 L430 L433 L436 E438 L439 D440	L391-L415 HydrophobicContact CB-CD1 4.16Å; L391-L415 HydrophobicContact CD2-CD1 4Å; L391-L415 HydrophobicContact CG-CD1 4.15Å; L393-L415 HydrophobicContact CD1-CD1 4.43Å; F406-L415 HydrophobicContact CD2-CD2 4.26Å; F406-L415 HydrophobicContact CE1-CD1 4.03Å; F406-L415 HydrophobicContact CE1-CD2 4.36Å; F406-L415 HydrophobicContact CE2-CD2 4.05Å; F406-L415 HydrophobicContact CG-CD2 4.5Å; F406-L415 HydrophobicContact CZ-CD1 4.27Å; F406-L415 HydrophobicContact CZ-CD2 4.11Å; L412-L415 HydrophobicContact CD2-CB 4Å; L412-L415 HydrophobicContact CD2-CD1 4.39Å; L412-L415 HydrophobicContact CD2-CD2 4.46Å; L415-L417 HydrophobicContact CD1-CD1 4.3Å; L415-L417 HydrophobicContact CD1-CG 4.17Å; L415-L417 HydrophobicContact CD2-CD1 3.88Å; L415-L417 HydrophobicContact CG-CD1 3.86Å; L415-L417 HydrophobicContact CG-CG 4.1Å; L415-L430 HydrophobicContact CD2-CD2 4.07Å; L415-L433 HydrophobicContact CD2-CD1 4.07Å; L415-L436 HydrophobicContact CB-CD1 3.9Å; L415-E438 PolarHBondContact N-O 2.84Å; L415-L439 HydrophobicContact CB-CD1 4.16Å; L415-L439 HydrophobicContact CD2-CD1 3.96Å; L415-L439 HydrophobicContact CG-CD1 4.07Å; L415-D440 PolarHBondContact O-N 3.47Å
416	F	98.7	Very high	96.6	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.096	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.3	-179.4	-56.8	-79.2	0	0	0	110.9	L391 H392 L393 E394 R414 E438 D440	L391-F416 PolarHBondContact O-N 3.37Å; H392-F416 AromaticContact CE1-CD2 3.29Å; H392-F416 WeakPolarHBondContact CE1-CD2 3.44Å; H392-F416 AromaticContact CE1-CE2 3.29Å; H392-F416 WeakPolarHBondContact CE1-CE2 3.37Å; H392-F416 AromaticContact CG-CD2 3.91Å; H392-F416 AromaticContact ND1-CD2 3.3Å; H392-F416 VanDerWaalsContact ND1-CD2 3.3Å; H392-F416 WeakPolarHBondContact ND1-CD2 3.47Å; H392-F416 AromaticContact ND1-CE2 3.82Å; H392-F416 AromaticContact ND1-CG 3.98Å; H392-F416 AromaticContact NE2-CD2 3.88Å; H392-F416 AromaticContact NE2-CE2 3.78Å; L393-F416 CarbonylContact C-O 3.51Å; L393-F416 WeakPolarHBondContact CA-O 3.21Å; L393-F416 WeakPolarHBondContact CB-O 3.42Å; L393-F416 PolarHBondContact N-O 2.89Å; E394-F416 HydrophobicContact CG-CB 3.81Å; E394-F416 WeakPolarHBondContact OE1-CB 3.35Å; R414-F416 HydrophobicContact CB-CD2 4.48Å; R414-F416 HydrophobicContact CB-CE2 3.68Å; R414-F416 HydrophobicContact CB-CZ 3.94Å; R414-F416 HydrophobicContact CG-CZ 4.5Å; F416-E438 HydrophobicContact CE1-CG 4.34Å; F416-E438 WeakPolarHBondContact CE1-OE1 3.3Å; F416-D440 HydrophobicContact CD1-CB 3.8Å
417	L	98.2	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.			trans	-125.2	21.3	-177.7	-70.9	162.9	0	0	0	111.5	L393 L398 I401 F406 L415 N420 L422 L439 D440 L441 N444	L393-L417 HydrophobicContact CB-CD2 3.88Å; L393-L417 HydrophobicContact CD1-CD2 3.99Å; L398-L417 HydrophobicContact CD1-CD2 3.67Å; I401-L417 HydrophobicContact CD1-CD1 3.71Å; I401-L417 HydrophobicContact CD1-CD2 4.3Å; F406-L417 HydrophobicContact CE2-CD1 4.42Å; F406-L417 HydrophobicContact CZ-CD1 4.19Å; F406-L417 HydrophobicContact CZ-CD2 4.19Å; L415-L417 HydrophobicContact CD1-CD1 4.3Å; L415-L417 HydrophobicContact CD1-CG 4.17Å; L415-L417 HydrophobicContact CD2-CD1 3.88Å; L415-L417 HydrophobicContact CG-CD1 3.86Å; L415-L417 HydrophobicContact CG-CG 4.1Å; L417-N420 WeakPolarHBondContact CA-ND2 3.37Å; L417-N420 PolarHBondContact O-ND2 2.76Å; L417-L422 HydrophobicContact CB-CD1 4.46Å; L417-L439 HydrophobicContact CD1-CD1 4.33Å; L417-D440 CarbonylContact C-O 3.51Å; L417-D440 VanDerWaalsContact CA-O 3.3Å; L417-D440 WeakPolarHBondContact CA-O 3.13Å; L417-D440 WeakPolarHBondContact CB-O 3.23Å; L417-D440 PolarHBondContact N-O 3.18Å; L417-L441 HydrophobicContact CB-CD2 3.89Å; L417-L441 HydrophobicContact CD1-CD2 3.88Å; L417-N444 PolarHBondContact O-ND2 3.34Å
418	K	97.8	Very high	96.5	Very high	65 Å²	65	39.3 Å²	39.3	28%	0.283	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	141.1	177	179.6	170.5	179.7	164.3	0	111.7	E394 G395 N420 T442 E567	E394-K418 CarbonylContact C-O 3.43Å; E394-K418 WeakPolarHBondContact CA-O 3.2Å; E394-K418 HydrophobicContact CB-CB 4.42Å; E394-K418 HydrophobicContact CG-CB 4.03Å; G395-K418 PolarHBondContact N-O 3.17Å; K418-N420 PolarHBondContact O-N 3.24Å; K418-N420 PolarHBondContact O-ND2 3.35Å; K418-T442 VanDerWaalsContact CA-O 3.24Å; K418-T442 WeakPolarHBondContact CA-O 3.41Å; K418-T442 HydrophobicContact CD-CG2 4.4Å; K418-T442 HydrophobicContact CG-CG2 4.49Å; K418-E567 IonicContact NZ-OE2 2.97Å; K418-E567 PolarHBondContact NZ-OE2 2.87Å; K418-E567 VanDerWaalsContact NZ-OE2 3.09Å
419	D	97.6	Very high	96.7	Very high	105 Å²	105	37.4 Å²	37.4	56%	0.561	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	45.3	171.4	-164.3	26.1	0	0	0	114.6	G395 T442 S443	G395-D419 WeakPolarHBondContact CA-O 3.28Å; G395-D419 PolarHBondContact N-O 3.27Å; D419-T442 PolarHBondContact N-O 3.46Å; D419-S443 VanDerWaalsContact CA-O 3.31Å; D419-S443 WeakPolarHBondContact CA-O 3.37Å
420	N	97.8	Very high	96.7	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	-101.3	1.1	178.3	-89.6	-75.9	0	0	0	114.2	L393 S396 C397 L398 G399 L417 K418 L422 N444	L393-N420 PolarHBondContact O-ND2 2.88Å; L393-N420 PolarHBondContact O-OD1 3.29Å; S396-N420 VanDerWaalsContact CA-OD1 3.28Å; S396-N420 WeakPolarHBondContact CA-OD1 3.21Å; S396-N420 WeakPolarHBondContact CB-OD1 3.24Å; S396-N420 PolarHBondContact N-OD1 2.96Å; C397-N420 PolarHBondContact N-OD1 2.06Å; L398-N420 HydrophobicContact CB-CB 4.24Å; L398-N420 WeakPolarHBondContact CG-OD1 3.49Å; L398-N420 PolarHBondContact N-O 3.18Å; L398-N420 PolarHBondContact N-OD1 2.83Å; G399-N420 PolarHBondContact N-O 2.82Å; G399-N420 VanDerWaalsContact N-O 3.12Å; L417-N420 WeakPolarHBondContact CA-ND2 3.37Å; L417-N420 PolarHBondContact O-ND2 2.76Å; K418-N420 PolarHBondContact O-N 3.24Å; K418-N420 PolarHBondContact O-ND2 3.35Å; N420-L422 HydrophobicContact CB-CD1 4.26Å; N420-L422 HydrophobicContact CB-CD2 4.19Å; N420-L422 HydrophobicContact CB-CG 3.75Å; N420-L422 PolarHBondContact O-N 2.87Å; N420-N444 WeakPolarHBondContact CA-OD1 3.29Å; N420-N444 WeakPolarHBondContact CB-OD1 3.47Å; N420-N444 PolarHBondContact N-OD1 3.41Å
421	G	96.8	Very high	96.6	Very high	21 Å²	21	38.1 Å²	38.1	22%	0.216	18%	0.183	C	C	.	.			trans	59.7	27.7	-173.7	0	0	0	0	0	113.1	V423 N444	G421-V423 PolarHBondContact O-N 2.92Å; G421-N444 PolarHBondContact N-OD1 3.07Å; G421-N444 VanDerWaalsContact N-OD1 3.15Å
422	L	97.6	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-62.9	119.8	-176.1	-64.6	173.2	0	0	0	110.8	L398 G399 I401 L417 N420 L441 N444 Q445 L446	L398-L422 HydrophobicContact CB-CD2 3.84Å; G399-L422 CarbonylContact O-C 3.03Å; G399-L422 WeakPolarHBondContact O-CA 3.47Å; I401-L422 HydrophobicContact CD1-CD1 3.81Å; I401-L422 HydrophobicContact CD1-CD2 4.28Å; I401-L422 HydrophobicContact CG1-CD1 4.24Å; I401-L422 HydrophobicContact CG1-CD2 3.78Å; L417-L422 HydrophobicContact CB-CD1 4.46Å; N420-L422 HydrophobicContact CB-CD1 4.26Å; N420-L422 HydrophobicContact CB-CD2 4.19Å; N420-L422 HydrophobicContact CB-CG 3.75Å; N420-L422 PolarHBondContact O-N 2.87Å; L422-L441 HydrophobicContact CD1-CD2 3.91Å; L422-N444 HydrophobicContact CB-CB 4.04Å; L422-N444 WeakPolarHBondContact CB-OD1 3.2Å; L422-N444 WeakPolarHBondContact CG-OD1 3.23Å; L422-N444 PolarHBondContact N-OD1 2.97Å; L422-Q445 CarbonylContact O-C 3.45Å; L422-Q445 WeakPolarHBondContact O-CA 3.05Å; L422-Q445 WeakPolarHBondContact O-CB 3.11Å; L422-Q445 PolarHBondContact O-N 3Å; L422-L446 HydrophobicContact CB-CD2 3.95Å; L422-L446 HydrophobicContact CB-CG 4.49Å; L422-L446 PolarHBondContact O-N 3.43Å; L422-L446 VanDerWaalsContact O-N 3.1Å
423	V	96.7	Very high	96.2	Very high	77 Å²	77	40.1 Å²	40.1	47%	0.467	21%	0.205	S	C	.	.			trans	-89.6	-25.3	175.3	-177	0	0	0	0	111	G399 G421 Q445	G399-V423 PolarHBondContact O-N 2.96Å; G421-V423 PolarHBondContact O-N 2.92Å; V423-Q445 HydrophobicContact CG2-CB 4.37Å
424	G	95.2	Very high	96	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	157.9	176.4	0	0	0	0	0	112.9	R400 I401	R400-G424 WeakPolarHBondContact CA-O 3.25Å; I401-G424 PolarHBondContact N-O 2.97Å
425	I	96.4	Very high	96	Very high	9 Å²	9	35 Å²	35	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.2	174.5	-57	173	0	0	0	105.7	I401 L441 L446 P450 L453	I401-I425 HydrophobicContact CB-CG2 4.15Å; I401-I425 HydrophobicContact CD1-CD1 4.4Å; I401-I425 HydrophobicContact CD1-CG1 4.17Å; I401-I425 HydrophobicContact CG1-CG1 4.45Å; I425-L441 HydrophobicContact CD1-CD1 3.8Å; I425-L441 HydrophobicContact CD1-CD2 3.68Å; I425-L441 HydrophobicContact CD1-CG 4.42Å; I425-L446 HydrophobicContact CD1-CD1 4.12Å; I425-L446 HydrophobicContact CD1-CD2 4.25Å; I425-L446 HydrophobicContact CG1-CD2 3.98Å; I425-P450 WeakPolarHBondContact O-CD 3.11Å; I425-P450 WeakPolarHBondContact O-CG 3.32Å; I425-L453 HydrophobicContact CB-CD1 4.38Å; I425-L453 HydrophobicContact CB-CD2 4.42Å; I425-L453 HydrophobicContact CD1-CD2 4.46Å; I425-L453 HydrophobicContact CG2-CD1 3.5Å; I425-L453 VanDerWaalsContact CG2-CD1 3.5Å; I425-L453 HydrophobicContact CG2-CD2 4.27Å
426	E	94.8	Very high	96	Very high	55 Å²	55	35 Å²	35	26%	0.257	20%	0.198	S	C	.	.			trans	-76.5	159.9	-178.9	-67.6	-178.2	-158.8	0	0	111.1	R400 I401 H402 P403 S429	R400-E426 WeakPolarHBondContact CD-OE1 3.34Å; R400-E426 IonicContact CZ-OE1 3.49Å; R400-E426 IonicContact NE-OE1 2.72Å; R400-E426 IonicContact NH1-OE1 3.64Å; R400-E426 PolarHBondContact NH1-OE1 2.6Å; I401-E426 PolarHBondContact O-N 2.79Å; H402-E426 IonicContact CE1-OE1 2.99Å; H402-E426 IonicContact ND1-OE1 3.66Å; H402-E426 PolarHBondContact ND1-OE1 3Å; H402-E426 IonicContact ND1-OE2 2.85Å; P403-E426 WeakPolarHBondContact CD-OE2 3.25Å; P403-E426 HydrophobicContact CG-CB 4.06Å; E426-S429 PolarHBondContact N-OG 3.31Å; E426-S429 VanDerWaalsContact O-CB 3.24Å; E426-S429 WeakPolarHBondContact O-CB 3.33Å; E426-S429 PolarHBondContact O-N 3.04Å; E426-S429 PolarHBondContact O-OG 3.28Å
427	E	93.4	Very high	96	Very high	67 Å²	67	36 Å²	36	31%	0.313	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	158.9	174	-162.2	169.3	-145	0	0	110.3	S429 P450 Q452	E427-S429 PolarHBondContact O-N 3.18Å; E427-P450 HydrophobicContact CB-CB 4.43Å; E427-Q452 HydrophobicContact CG-CB 4.46Å; E427-Q452 VanDerWaalsContact OE1-CB 3.24Å; E427-Q452 WeakPolarHBondContact OE1-CB 3.35Å; E427-Q452 WeakPolarHBondContact OE1-CG 3.08Å
428	Q	93.6	Very high	96	Very high	53 Å²	53	38.2 Å²	38.2	25%	0.248	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-0.6	-175.6	-51.8	90.4	5.8	0	0	116.8	P403 H404 L430 W431	P403-Q428 HydrophobicContact CB-CB 4.31Å; H404-Q428 PolarHBondContact N-O 3.41Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 3.18Å; Q428-W431 HydrophobicContact CB-CD2 3.81Å; Q428-W431 HydrophobicContact CB-CE3 3.95Å; Q428-W431 HydrophobicContact CB-CG 4.12Å; Q428-W431 HydrophobicContact CB-CZ3 4.43Å; Q428-W431 HydrophobicContact CG-CD2 3.61Å; Q428-W431 HydrophobicContact CG-CE3 3.48Å; Q428-W431 VanDerWaalsContact CG-CE3 3.48Å; Q428-W431 HydrophobicContact CG-CG 4.43Å; Q428-W431 HydrophobicContact CG-CH2 3.58Å; Q428-W431 HydrophobicContact CG-CZ2 3.68Å; Q428-W431 HydrophobicContact CG-CZ3 3.47Å; Q428-W431 VanDerWaalsContact CG-CZ3 3.47Å; Q428-W431 PolarHBondContact O-N 3.12Å
429	S	94.8	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-37.3	-179.1	-62.5	0	0	0	0	113.6	I401 H402 F406 E426 E427	I401-S429 PolarHBondContact O-OG 3.21Å; H402-S429 VanDerWaalsContact C-OG 3.3Å; H402-S429 PolarHBondContact O-OG 2.99Å; H402-S429 VanDerWaalsContact O-OG 3.08Å; F406-S429 WeakPolarHBondContact CD2-O 3.39Å; E426-S429 PolarHBondContact N-OG 3.31Å; E426-S429 VanDerWaalsContact O-CB 3.24Å; E426-S429 WeakPolarHBondContact O-CB 3.33Å; E426-S429 PolarHBondContact O-N 3.04Å; E426-S429 PolarHBondContact O-OG 3.28Å; E427-S429 PolarHBondContact O-N 3.18Å
430	L	95.1	Very high	96.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	4.1	-177.6	-58.6	177.8	0	0	0	113.2	F406 L415 Q428 L433 L439 L453 F454 L457	F406-L430 HydrophobicContact CD2-CD2 3.94Å; F406-L430 HydrophobicContact CE2-CD2 4.08Å; L415-L430 HydrophobicContact CD2-CD2 4.07Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 3.18Å; L430-L433 HydrophobicContact CB-CD1 4.29Å; L430-L433 HydrophobicContact CD2-CD1 4.01Å; L430-L433 WeakPolarHBondContact O-CG 3.32Å; L430-L433 PolarHBondContact O-N 3.09Å; L430-L439 HydrophobicContact CD1-CD2 3.74Å; L430-L453 HydrophobicContact CD1-CD1 3.85Å; L430-L453 HydrophobicContact CD1-CD2 4.44Å; L430-L453 HydrophobicContact CD1-CG 4Å; L430-L453 HydrophobicContact CG-CD1 4.01Å; L430-F454 HydrophobicContact CD1-CD1 4.23Å; L430-F454 HydrophobicContact CD1-CE1 4.26Å; L430-L457 HydrophobicContact CB-CD1 4.35Å; L430-L457 HydrophobicContact CD1-CD1 4.25Å
431	W	92.8	Very high	96.1	Very high	86 Å²	86	30.7 Å²	30.7	33%	0.326	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	140.8	-178.1	-71.9	13.9	0	0	0	110.8	Q428 Q452 Q455	Q428-W431 HydrophobicContact CB-CD2 3.81Å; Q428-W431 HydrophobicContact CB-CE3 3.95Å; Q428-W431 HydrophobicContact CB-CG 4.12Å; Q428-W431 HydrophobicContact CB-CZ3 4.43Å; Q428-W431 HydrophobicContact CG-CD2 3.61Å; Q428-W431 HydrophobicContact CG-CE3 3.48Å; Q428-W431 VanDerWaalsContact CG-CE3 3.48Å; Q428-W431 HydrophobicContact CG-CG 4.43Å; Q428-W431 HydrophobicContact CG-CH2 3.58Å; Q428-W431 HydrophobicContact CG-CZ2 3.68Å; Q428-W431 HydrophobicContact CG-CZ3 3.47Å; Q428-W431 VanDerWaalsContact CG-CZ3 3.47Å; Q428-W431 PolarHBondContact O-N 3.12Å; W431-Q452 PolarHBondContact NE1-O 2.95Å; W431-Q452 VanDerWaalsContact NE1-O 3.13Å; W431-Q455 HydrophobicContact CZ2-CB 4.37Å; W431-Q455 HydrophobicContact CZ2-CG 4.48Å
432	G	90.1	Very high	96.2	Very high	56 Å²	56	29.9 Å²	29.9	58%	0.577	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.1	-6.3	-177.5	0	0	0	0	0	115.1	A434	G432-A434 PolarHBondContact O-N 3.21Å
433	L	96.6	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.			trans	-82.6	52.7	174.2	-55.4	179.9	0	0	0	111.9	F406 L409 L412 L415 L430 E435 L436 L457	F406-L433 HydrophobicContact CB-CD1 4.2Å; F406-L433 HydrophobicContact CB-CD2 4.11Å; F406-L433 HydrophobicContact CB-CG 4.46Å; L409-L433 HydrophobicContact CB-CD2 3.66Å; L412-L433 HydrophobicContact CB-CD2 4.2Å; L412-L433 HydrophobicContact CD2-CD1 4.4Å; L412-L433 HydrophobicContact CD2-CD2 3.93Å; L415-L433 HydrophobicContact CD2-CD1 4.07Å; L430-L433 HydrophobicContact CB-CD1 4.29Å; L430-L433 HydrophobicContact CD2-CD1 4.01Å; L430-L433 WeakPolarHBondContact O-CG 3.32Å; L430-L433 PolarHBondContact O-N 3.09Å; L433-E435 PolarHBondContact O-N 3.01Å; L433-E435 VanDerWaalsContact O-N 3.16Å; L433-L436 HydrophobicContact CB-CB 4.13Å; L433-L436 HydrophobicContact CB-CD2 4.39Å; L433-L436 HydrophobicContact CD1-CD2 4.17Å; L433-L436 VanDerWaalsContact O-CB 3.29Å; L433-L436 WeakPolarHBondContact O-CB 3.42Å; L433-L436 PolarHBondContact O-N 2.92Å; L433-L436 VanDerWaalsContact O-N 3.13Å; L433-L457 HydrophobicContact CB-CD2 3.78Å; L433-L457 VanDerWaalsContact O-CD2 3.25Å; L433-L457 WeakPolarHBondContact O-CD2 3.15Å
434	A	95.3	Very high	96.3	Very high	49 Å²	49	28.4 Å²	28.4	41%	0.405	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.7	-171	0	0	0	0	0	114.6	G432 K459	G432-A434 PolarHBondContact O-N 3.21Å; A434-K459 WeakPolarHBondContact O-CD 3.33Å
435	E	97.7	Very high	96.4	Very high	59 Å²	59	31.5 Å²	31.5	28%	0.276	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	3.3	178.8	-62.7	-58.7	131.5	0	0	113.8	S410 L412 L433 L437 K459	S410-E435 WeakPolarHBondContact O-CG 3.34Å; L412-E435 CarbonylContact O-C 3.38Å; L433-E435 PolarHBondContact O-N 3.01Å; L433-E435 VanDerWaalsContact O-N 3.16Å; E435-L437 PolarHBondContact O-N 3.14Å; E435-K459 IonicContact OE1-NZ 3.53Å; E435-K459 PolarHBondContact OE1-NZ 2.79Å; E435-K459 IonicContact OE2-NZ 2.68Å; E435-K459 PolarHBondContact OE2-NZ 3.12Å
436	L	98.6	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.			trans	-65.5	128	-174.8	-161.9	69.4	0	0	0	110.7	L412 L415 L433 L439 L457 K459 L460	L412-L436 HydrophobicContact CD2-CD1 4.08Å; L412-L436 HydrophobicContact CG-CD1 4.14Å; L412-L436 VanDerWaalsContact O-CA 3.26Å; L412-L436 WeakPolarHBondContact O-CA 3.33Å; L412-L436 PolarHBondContact O-N 3.16Å; L412-L436 VanDerWaalsContact O-N 3.08Å; L415-L436 HydrophobicContact CB-CD1 3.9Å; L433-L436 HydrophobicContact CB-CB 4.13Å; L433-L436 HydrophobicContact CB-CD2 4.39Å; L433-L436 HydrophobicContact CD1-CD2 4.17Å; L433-L436 VanDerWaalsContact O-CB 3.29Å; L433-L436 WeakPolarHBondContact O-CB 3.42Å; L433-L436 PolarHBondContact O-N 2.92Å; L433-L436 VanDerWaalsContact O-N 3.13Å; L436-L439 HydrophobicContact CD2-CB 4.12Å; L436-L457 HydrophobicContact CB-CD2 4.39Å; L436-L457 HydrophobicContact CD2-CD1 4.35Å; L436-L457 HydrophobicContact CD2-CD2 4.38Å; L436-K459 CarbonylContact O-C 3.11Å; L436-L460 HydrophobicContact CB-CD1 4.28Å; L436-L460 HydrophobicContact CD2-CD1 3.9Å; L436-L460 HydrophobicContact CG-CD1 3.84Å; L436-L460 VanDerWaalsContact O-CA 3.23Å; L436-L460 WeakPolarHBondContact O-CA 3.12Å; L436-L460 PolarHBondContact O-N 3.41Å; L436-L460 VanDerWaalsContact O-N 3.08Å
437	L	98.5	Very high	96.6	Very high	42 Å²	42	31.4 Å²	31.4	22%	0.22	18%	0.177	C	C	.	.			trans	-108.4	-34.7	178.5	-57	179.5	0	0	0	111.2	R413 E435 K459 E461 Y462	R413-L437 HydrophobicContact CB-CD1 4.25Å; R413-L437 HydrophobicContact CB-CG 4.32Å; R413-L437 HydrophobicContact CG-CD1 4.38Å; R413-L437 WeakPolarHBondContact O-CA 3.11Å; R413-L437 WeakPolarHBondContact O-CB 3.39Å; R413-L437 PolarHBondContact O-N 3.19Å; E435-L437 PolarHBondContact O-N 3.14Å; L437-K459 HydrophobicContact CD2-CB 4.18Å; L437-K459 WeakPolarHBondContact CD2-O 3.1Å; L437-E461 WeakPolarHBondContact O-CA 3.3Å; L437-E461 WeakPolarHBondContact O-CB 3.41Å; L437-E461 PolarHBondContact O-N 2.95Å; L437-Y462 PolarHBondContact O-N 2.84Å
438	E	98.6	Very high	96.6	Very high	46 Å²	46	33.5 Å²	33.5	22%	0.215	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.7	-176.1	-176.6	173.7	-172.4	0	0	110.9	R413 R414 L415 F416	R413-E438 PolarHBondContact O-N 3.25Å; R414-E438 WeakPolarHBondContact CA-O 3.24Å; R414-E438 HydrophobicContact CB-CB 4.4Å; R414-E438 WeakPolarHBondContact CD-OE2 3.29Å; R414-E438 HydrophobicContact CG-CB 4Å; L415-E438 PolarHBondContact N-O 2.84Å; F416-E438 HydrophobicContact CE1-CG 4.34Å; F416-E438 WeakPolarHBondContact CE1-OE1 3.3Å
439	L	98.7	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	113.1	173.7	177.6	58.9	0	0	0	109.2	L415 L417 L430 L436 L441 F454 L460 Y462 L463 L464	L415-L439 HydrophobicContact CB-CD1 4.16Å; L415-L439 HydrophobicContact CD2-CD1 3.96Å; L415-L439 HydrophobicContact CG-CD1 4.07Å; L417-L439 HydrophobicContact CD1-CD1 4.33Å; L430-L439 HydrophobicContact CD1-CD2 3.74Å; L436-L439 HydrophobicContact CD2-CB 4.12Å; L439-L441 HydrophobicContact CD1-CD1 4.49Å; L439-L441 HydrophobicContact CD1-CG 4.22Å; L439-L441 HydrophobicContact CD2-CD1 4.01Å; L439-L441 HydrophobicContact CG-CD1 4.13Å; L439-L441 HydrophobicContact CG-CG 4.17Å; L439-F454 HydrophobicContact CD2-CD1 4.46Å; L439-F454 HydrophobicContact CD2-CE1 3.89Å; L439-L460 HydrophobicContact CB-CD1 3.92Å; L439-L460 HydrophobicContact CB-CD2 4.43Å; L439-Y462 PolarHBondContact N-O 2.97Å; L439-L463 HydrophobicContact CB-CD1 4.36Å; L439-L463 HydrophobicContact CD2-CD1 4.04Å; L439-L463 HydrophobicContact CG-CD1 4.29Å; L439-L464 PolarHBondContact O-N 3.4Å
440	D	98.6	Very high	96.6	Very high	16 Å²	16	32.4 Å²	32.4	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.6	177.2	-176	7.4	0	0	0	111.1	L415 F416 L417 T442 L464	L415-D440 PolarHBondContact O-N 3.47Å; F416-D440 HydrophobicContact CD1-CB 3.8Å; L417-D440 CarbonylContact C-O 3.51Å; L417-D440 VanDerWaalsContact CA-O 3.3Å; L417-D440 WeakPolarHBondContact CA-O 3.13Å; L417-D440 WeakPolarHBondContact CB-O 3.23Å; L417-D440 PolarHBondContact N-O 3.18Å; D440-T442 WeakPolarHBondContact OD1-CB 3.33Å; D440-T442 PolarHBondContact OD1-N 3.43Å; D440-T442 PolarHBondContact OD1-OG1 3.29Å; D440-L464 HydrophobicContact CB-CD1 4.17Å
441	L	98.4	Very high	96.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.207	C	C	.	.			trans	-114.8	19.3	175.5	-71.8	167.7	0	0	0	111.8	L417 L422 I425 L439 N444 L446 L464 L465 N468	L417-L441 HydrophobicContact CB-CD2 3.89Å; L417-L441 HydrophobicContact CD1-CD2 3.88Å; L422-L441 HydrophobicContact CD1-CD2 3.91Å; I425-L441 HydrophobicContact CD1-CD1 3.8Å; I425-L441 HydrophobicContact CD1-CD2 3.68Å; I425-L441 HydrophobicContact CD1-CG 4.42Å; L439-L441 HydrophobicContact CD1-CD1 4.49Å; L439-L441 HydrophobicContact CD1-CG 4.22Å; L439-L441 HydrophobicContact CD2-CD1 4.01Å; L439-L441 HydrophobicContact CG-CD1 4.13Å; L439-L441 HydrophobicContact CG-CG 4.17Å; L441-N444 PolarHBondContact O-ND2 2.61Å; L441-L446 HydrophobicContact CB-CD1 4.48Å; L441-L446 HydrophobicContact CD1-CD1 4.49Å; L441-L464 CarbonylContact C-O 3.54Å; L441-L464 WeakPolarHBondContact CA-O 3.32Å; L441-L464 WeakPolarHBondContact CB-O 3.28Å; L441-L464 PolarHBondContact N-O 2.92Å; L441-L465 HydrophobicContact CB-CD2 3.88Å; L441-L465 HydrophobicContact CD1-CD2 3.73Å; L441-L465 HydrophobicContact CG-CD2 4.47Å; L441-N468 PolarHBondContact O-ND2 3.15Å
442	T	98.4	Very high	96.5	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.025	21%	0.213	C	C	.	.			trans	-58.4	147.9	-177.8	-57.8	0	0	0	0	112.3	K418 D419 D440 N444 S466	K418-T442 VanDerWaalsContact CA-O 3.24Å; K418-T442 WeakPolarHBondContact CA-O 3.41Å; K418-T442 HydrophobicContact CD-CG2 4.4Å; K418-T442 HydrophobicContact CG-CG2 4.49Å; D419-T442 PolarHBondContact N-O 3.46Å; D440-T442 WeakPolarHBondContact OD1-CB 3.33Å; D440-T442 PolarHBondContact OD1-N 3.43Å; D440-T442 PolarHBondContact OD1-OG1 3.29Å; T442-N444 PolarHBondContact O-N 3.31Å; T442-N444 PolarHBondContact O-ND2 2.96Å; T442-S466 CarbonylContact C-O 3.47Å; T442-S466 WeakPolarHBondContact CA-O 3.36Å; T442-S466 WeakPolarHBondContact CG2-OG 3.44Å; T442-S466 PolarHBondContact OG1-OG 2.88Å
443	S	97.9	Very high	96.8	Very high	38 Å²	38	35.2 Å²	35.2	27%	0.266	19%	0.185	S	C	.	.	S	Bend	trans	57	47.3	174.2	-61.2	0	0	0	0	113.4	D419 S466 H467	D419-S443 VanDerWaalsContact CA-O 3.31Å; D419-S443 WeakPolarHBondContact CA-O 3.37Å; S443-S466 PolarHBondContact N-O 3.26Å; S443-H467 CarbonylContact C-O 3.05Å; S443-H467 VanDerWaalsContact CA-O 3.26Å; S443-H467 WeakPolarHBondContact CA-O 3.46Å
444	N	98.6	Very high	96.7	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.043	19%	0.186	C	C	.	.			trans	-112.2	-169.9	173.8	-81.8	-68	0	0	0	111	L417 N420 G421 L422 L441 T442 L446 H467 N468	L417-N444 PolarHBondContact O-ND2 3.34Å; N420-N444 WeakPolarHBondContact CA-OD1 3.29Å; N420-N444 WeakPolarHBondContact CB-OD1 3.47Å; N420-N444 PolarHBondContact N-OD1 3.41Å; G421-N444 PolarHBondContact N-OD1 3.07Å; G421-N444 VanDerWaalsContact N-OD1 3.15Å; L422-N444 HydrophobicContact CB-CB 4.04Å; L422-N444 WeakPolarHBondContact CB-OD1 3.2Å; L422-N444 WeakPolarHBondContact CG-OD1 3.23Å; L422-N444 PolarHBondContact N-OD1 2.97Å; L441-N444 PolarHBondContact O-ND2 2.61Å; T442-N444 PolarHBondContact O-N 3.31Å; T442-N444 PolarHBondContact O-ND2 2.96Å; N444-L446 HydrophobicContact CB-CG 4.24Å; N444-H467 PolarHBondContact N-O 2.9Å; N444-N468 VanDerWaalsContact CA-OD1 3.31Å; N444-N468 WeakPolarHBondContact CA-OD1 3.39Å; N444-N468 WeakPolarHBondContact CB-OD1 3.41Å; N444-N468 PolarHBondContact O-OD1 3.39Å
445	Q	97.9	Very high	96.7	Very high	70 Å²	70	37.6 Å²	37.6	33%	0.327	19%	0.188	S	C	.	.			trans	-117.4	25.5	-178.1	-57.9	-171.7	48.2	0	0	112.1	L422 V423 T447 N468 R469	L422-Q445 CarbonylContact O-C 3.45Å; L422-Q445 WeakPolarHBondContact O-CA 3.05Å; L422-Q445 WeakPolarHBondContact O-CB 3.11Å; L422-Q445 PolarHBondContact O-N 3Å; V423-Q445 HydrophobicContact CG2-CB 4.37Å; Q445-T447 PolarHBondContact O-N 3.03Å; Q445-N468 PolarHBondContact N-OD1 2.98Å; Q445-R469 VanDerWaalsContact OE1-NH2 3.17Å
446	L	98	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.			trans	-66.4	129.4	-174.6	-60	172.6	0	0	0	110.3	L422 I425 L441 N444 L449 L465 N468 R469 L470	L422-L446 HydrophobicContact CB-CD2 3.95Å; L422-L446 HydrophobicContact CB-CG 4.49Å; L422-L446 PolarHBondContact O-N 3.43Å; L422-L446 VanDerWaalsContact O-N 3.1Å; I425-L446 HydrophobicContact CD1-CD1 4.12Å; I425-L446 HydrophobicContact CD1-CD2 4.25Å; I425-L446 HydrophobicContact CG1-CD2 3.98Å; L441-L446 HydrophobicContact CB-CD1 4.48Å; L441-L446 HydrophobicContact CD1-CD1 4.49Å; N444-L446 HydrophobicContact CB-CG 4.24Å; L446-L449 HydrophobicContact CD1-CD2 4.24Å; L446-L465 HydrophobicContact CD1-CD2 4.33Å; L446-N468 HydrophobicContact CB-CB 4.39Å; L446-N468 VanDerWaalsContact CB-OD1 3.32Å; L446-N468 WeakPolarHBondContact CB-OD1 3.36Å; L446-N468 WeakPolarHBondContact CG-OD1 3.33Å; L446-N468 PolarHBondContact N-OD1 3.33Å; L446-R469 CarbonylContact O-C 3.33Å; L446-R469 VanDerWaalsContact O-CA 3.23Å; L446-R469 WeakPolarHBondContact O-CA 3.33Å; L446-R469 WeakPolarHBondContact O-CB 3.04Å; L446-R469 PolarHBondContact O-N 3.37Å; L446-L470 HydrophobicContact CB-CD2 4.02Å; L446-L470 PolarHBondContact O-N 3.2Å; L446-L470 VanDerWaalsContact O-N 3.15Å
447	T	96.3	Very high	96.4	Very high	63 Å²	63	37 Å²	37	39%	0.387	20%	0.197	S	C	.	.			trans	-101.9	-26.3	177.5	56.2	0	0	0	0	113.3	Q445 R469	Q445-T447 PolarHBondContact O-N 3.03Å; T447-R469 HydrophobicContact CG2-CB 4.24Å
448	H	94.6	Very high	96.2	Very high	110 Å²	110	36.2 Å²	36.2	51%	0.509	20%	0.2	S	C	.	.			trans	-151.7	163.6	179.1	61.5	-72.1	0	0	0	109.9
449	L	94.7	Very high	96.1	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	20%	0.204	C	C	.	.			trans	-119.2	139.4	172.1	-61.5	179.6	0	0	0	109.8	L446 L453 F454 L465 L470 L473 P474	L446-L449 HydrophobicContact CD1-CD2 4.24Å; L449-L453 HydrophobicContact CD2-CD2 4.11Å; L449-F454 HydrophobicContact CD1-CE2 4.05Å; L449-F454 HydrophobicContact CD1-CZ 4.09Å; L449-L465 HydrophobicContact CD1-CD1 4.03Å; L449-L465 HydrophobicContact CD1-CD2 4.42Å; L449-L465 HydrophobicContact CD2-CD2 4.47Å; L449-L470 HydrophobicContact CD2-CD2 4.34Å; L449-L470 HydrophobicContact CG-CD2 4.05Å; L449-L473 HydrophobicContact CD1-CD2 3.74Å; L449-L473 HydrophobicContact CG-CD2 4.42Å; L449-P474 WeakPolarHBondContact O-CG 3.36Å
450	P	94.1	Very high	96.1	Very high	24 Å²	24	37.3 Å²	37.3	16%	0.156	20%	0.204	C	C	.	.			trans	-62.3	148.7	171	-18	28.4	0	0	0	112.6	I425 E427 Q452 L453	I425-P450 WeakPolarHBondContact O-CD 3.11Å; I425-P450 WeakPolarHBondContact O-CG 3.32Å; E427-P450 HydrophobicContact CB-CB 4.43Å; P450-Q452 PolarHBondContact O-N 3.01Å; P450-L453 HydrophobicContact CB-CB 4.17Å; P450-L453 HydrophobicContact CG-CB 4.3Å; P450-L453 WeakPolarHBondContact O-CB 3.25Å; P450-L453 PolarHBondContact O-N 3.42Å
451	H	91.5	Very high	96	Very high	108 Å²	108	39.5 Å²	39.5	50%	0.5	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-42.9	-178.1	-72.4	-94.4	0	0	0	113.6	P474 D476 A477	H451-P474 WeakPolarHBondContact ND1-CB 3.38Å; H451-D476 IonicContact CE1-OD1 3.93Å; H451-D476 IonicContact CG-OD1 3.74Å; H451-D476 IonicContact ND1-OD1 3.53Å; H451-D476 PolarHBondContact ND1-OD1 3.32Å; H451-D476 IonicContact ND1-OD2 3.66Å; H451-A477 WeakPolarHBondContact O-CA 3.46Å
452	Q	93.6	Very high	96	Very high	95 Å²	95	43.4 Å²	43.4	44%	0.444	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	25.3	-177.7	-45.1	-174.4	-17.8	0	0	113.3	E427 W431 P450 F454 Q455	E427-Q452 HydrophobicContact CG-CB 4.46Å; E427-Q452 VanDerWaalsContact OE1-CB 3.24Å; E427-Q452 WeakPolarHBondContact OE1-CB 3.35Å; E427-Q452 WeakPolarHBondContact OE1-CG 3.08Å; W431-Q452 PolarHBondContact NE1-O 2.95Å; W431-Q452 VanDerWaalsContact NE1-O 3.13Å; P450-Q452 PolarHBondContact O-N 3.01Å; Q452-F454 VanDerWaalsContact C-N 3.28Å; Q452-F454 PolarHBondContact O-N 3.46Å; Q452-Q455 HydrophobicContact CB-CB 4.4Å; Q452-Q455 WeakPolarHBondContact O-CB 3.3Å; Q452-Q455 PolarHBondContact O-N 3.37Å
453	L	95.4	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-42.7	-178.8	176.2	59.7	0	0	0	112.1	I425 L430 L449 P450 Q455	I425-L453 HydrophobicContact CB-CD1 4.38Å; I425-L453 HydrophobicContact CB-CD2 4.42Å; I425-L453 HydrophobicContact CD1-CD2 4.46Å; I425-L453 HydrophobicContact CG2-CD1 3.5Å; I425-L453 VanDerWaalsContact CG2-CD1 3.5Å; I425-L453 HydrophobicContact CG2-CD2 4.27Å; L430-L453 HydrophobicContact CD1-CD1 3.85Å; L430-L453 HydrophobicContact CD1-CD2 4.44Å; L430-L453 HydrophobicContact CD1-CG 4Å; L430-L453 HydrophobicContact CG-CD1 4.01Å; L449-L453 HydrophobicContact CD2-CD2 4.11Å; P450-L453 HydrophobicContact CB-CB 4.17Å; P450-L453 HydrophobicContact CG-CB 4.3Å; P450-L453 WeakPolarHBondContact O-CB 3.25Å; P450-L453 PolarHBondContact O-N 3.42Å; L453-Q455 VanDerWaalsContact C-N 3.33Å; L453-Q455 PolarHBondContact O-N 3.33Å
454	F	95.6	Very high	96	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	12.4	-174.1	-56.3	-56.2	0	0	0	114	L430 L439 L449 Q452 G456 L457 L463 A477 L478 P480 L481	L430-F454 HydrophobicContact CD1-CD1 4.23Å; L430-F454 HydrophobicContact CD1-CE1 4.26Å; L439-F454 HydrophobicContact CD2-CD1 4.46Å; L439-F454 HydrophobicContact CD2-CE1 3.89Å; L449-F454 HydrophobicContact CD1-CE2 4.05Å; L449-F454 HydrophobicContact CD1-CZ 4.09Å; Q452-F454 VanDerWaalsContact C-N 3.28Å; Q452-F454 PolarHBondContact O-N 3.46Å; F454-G456 PolarHBondContact O-N 3.33Å; F454-L457 HydrophobicContact CB-CD1 4.19Å; F454-L457 HydrophobicContact CD1-CD1 3.79Å; F454-L457 HydrophobicContact CG-CD1 4.47Å; F454-L457 WeakPolarHBondContact O-CB 3.21Å; F454-L457 WeakPolarHBondContact O-CG 3.25Å; F454-L457 PolarHBondContact O-N 3.17Å; F454-L463 HydrophobicContact CE1-CD1 4.17Å; F454-L463 HydrophobicContact CE2-CD2 4.23Å; F454-L463 HydrophobicContact CZ-CD1 4.14Å; F454-L463 HydrophobicContact CZ-CD2 3.99Å; F454-A477 WeakPolarHBondContact CD2-O 3.46Å; F454-L478 HydrophobicContact CD2-CD2 3.97Å; F454-L478 HydrophobicContact CE2-CD2 3.72Å; F454-P480 WeakPolarHBondContact O-CB 3.42Å; F454-L481 HydrophobicContact CB-CD2 3.77Å; F454-L481 HydrophobicContact CB-CG 4.24Å; F454-L481 HydrophobicContact CD2-CD1 4.28Å; F454-L481 HydrophobicContact CG-CD1 4.39Å; F454-L481 HydrophobicContact CG-CD2 4.21Å
455	Q	94.8	Very high	96	Very high	99 Å²	99	42.5 Å²	42.5	46%	0.463	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	127.4	179.2	-175.8	64.4	11.6	0	0	110.8	W431 Q452 L453	W431-Q455 HydrophobicContact CZ2-CB 4.37Å; W431-Q455 HydrophobicContact CZ2-CG 4.48Å; Q452-Q455 HydrophobicContact CB-CB 4.4Å; Q452-Q455 WeakPolarHBondContact O-CB 3.3Å; Q452-Q455 PolarHBondContact O-N 3.37Å; L453-Q455 VanDerWaalsContact C-N 3.33Å; L453-Q455 PolarHBondContact O-N 3.33Å
456	G	93.1	Very high	96	Very high	45 Å²	45	39.2 Å²	39.2	46%	0.464	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-5	-178.4	0	0	0	0	0	115.5	F454 G458	F454-G456 PolarHBondContact O-N 3.33Å; G456-G458 PolarHBondContact O-N 3.22Å; G456-G458 VanDerWaalsContact O-N 3.13Å
457	L	96.3	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.			trans	-87.1	42.9	179.7	-53.1	-172.9	0	0	0	113.3	L430 L433 L436 F454 K459 L460 L481	L430-L457 HydrophobicContact CB-CD1 4.35Å; L430-L457 HydrophobicContact CD1-CD1 4.25Å; L433-L457 HydrophobicContact CB-CD2 3.78Å; L433-L457 VanDerWaalsContact O-CD2 3.25Å; L433-L457 WeakPolarHBondContact O-CD2 3.15Å; L436-L457 HydrophobicContact CB-CD2 4.39Å; L436-L457 HydrophobicContact CD2-CD1 4.35Å; L436-L457 HydrophobicContact CD2-CD2 4.38Å; F454-L457 HydrophobicContact CB-CD1 4.19Å; F454-L457 HydrophobicContact CD1-CD1 3.79Å; F454-L457 HydrophobicContact CG-CD1 4.47Å; F454-L457 WeakPolarHBondContact O-CB 3.21Å; F454-L457 WeakPolarHBondContact O-CG 3.25Å; F454-L457 PolarHBondContact O-N 3.17Å; L457-K459 PolarHBondContact O-N 2.82Å; L457-K459 VanDerWaalsContact O-N 3.07Å; L457-L460 HydrophobicContact CB-CB 4.37Å; L457-L460 WeakPolarHBondContact O-CB 3.27Å; L457-L460 PolarHBondContact O-N 3.1Å; L457-L460 VanDerWaalsContact O-N 3.12Å; L457-L481 HydrophobicContact CB-CD2 3.93Å
458	G	95.2	Very high	96.1	Very high	26 Å²	26	40.2 Å²	40.2	27%	0.268	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.1	-174.7	0	0	0	0	0	115.4	G456 P480 R483	G456-G458 PolarHBondContact O-N 3.22Å; G456-G458 VanDerWaalsContact O-N 3.13Å; G458-P480 WeakPolarHBondContact CA-O 3.22Å; G458-R483 WeakPolarHBondContact O-CG 3.48Å
459	K	97.3	Very high	96.3	Very high	69 Å²	69	39.8 Å²	39.8	30%	0.3	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-6	175.9	-71.2	-174.8	175.6	171.6	0	114.1	A434 E435 L436 L437 L457 E461	A434-K459 WeakPolarHBondContact O-CD 3.33Å; E435-K459 IonicContact OE1-NZ 3.53Å; E435-K459 PolarHBondContact OE1-NZ 2.79Å; E435-K459 IonicContact OE2-NZ 2.68Å; E435-K459 PolarHBondContact OE2-NZ 3.12Å; L436-K459 CarbonylContact O-C 3.11Å; L437-K459 HydrophobicContact CD2-CB 4.18Å; L437-K459 WeakPolarHBondContact CD2-O 3.1Å; L457-K459 PolarHBondContact O-N 2.82Å; L457-K459 VanDerWaalsContact O-N 3.07Å; K459-E461 PolarHBondContact O-N 2.94Å
460	L	97.9	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.			trans	-60.1	131.3	-176.9	-162.1	73.2	0	0	0	110.3	L436 L439 L457 L463 L481 R483 A484	L436-L460 HydrophobicContact CB-CD1 4.28Å; L436-L460 HydrophobicContact CD2-CD1 3.9Å; L436-L460 HydrophobicContact CG-CD1 3.84Å; L436-L460 VanDerWaalsContact O-CA 3.23Å; L436-L460 WeakPolarHBondContact O-CA 3.12Å; L436-L460 PolarHBondContact O-N 3.41Å; L436-L460 VanDerWaalsContact O-N 3.08Å; L439-L460 HydrophobicContact CB-CD1 3.92Å; L439-L460 HydrophobicContact CB-CD2 4.43Å; L457-L460 HydrophobicContact CB-CB 4.37Å; L457-L460 WeakPolarHBondContact O-CB 3.27Å; L457-L460 PolarHBondContact O-N 3.1Å; L457-L460 VanDerWaalsContact O-N 3.12Å; L460-L463 HydrophobicContact CD2-CB 4.06Å; L460-L463 HydrophobicContact CD2-CD1 4.4Å; L460-L481 HydrophobicContact CB-CD2 3.98Å; L460-L481 HydrophobicContact CD2-CD1 4.24Å; L460-L481 HydrophobicContact CD2-CD2 3.71Å; L460-R483 CarbonylContact O-C 3.6Å; L460-A484 WeakPolarHBondContact O-CA 3.3Å; L460-A484 PolarHBondContact O-N 3.34Å
461	E	97.3	Very high	96.5	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.29	21%	0.209	S	C	.	.			trans	-110.6	-41.6	-177.4	-76.5	-179.7	-173.2	0	0	111	L437 K459 F485 W486	L437-E461 WeakPolarHBondContact O-CA 3.3Å; L437-E461 WeakPolarHBondContact O-CB 3.41Å; L437-E461 PolarHBondContact O-N 2.95Å; K459-E461 PolarHBondContact O-N 2.94Å; E461-F485 HydrophobicContact CB-CD1 3.86Å; E461-F485 HydrophobicContact CB-CE1 3.66Å; E461-F485 HydrophobicContact CG-CD1 4.11Å; E461-F485 HydrophobicContact CG-CE1 4.04Å; E461-F485 PolarHBondContact O-N 3.21Å; E461-W486 PolarHBondContact O-N 3.09Å
462	Y	97.8	Very high	96.6	Very high	83 Å²	83	41.7 Å²	41.7	33%	0.325	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.5	-179	-58.9	-95.8	0	0	0	110.7	L437 L439 F485 W486	L437-Y462 PolarHBondContact O-N 2.84Å; L439-Y462 PolarHBondContact N-O 2.97Å; Y462-F485 HydrophobicContact CE1-CE2 4.23Å; Y462-F485 AromaticContact CE1-CZ 3.85Å; Y462-F485 HydrophobicContact CE1-CZ 3.85Å; Y462-F485 AromaticContact CE2-CE1 3.97Å; Y462-F485 HydrophobicContact CE2-CE1 3.97Å; Y462-F485 AromaticContact CE2-CZ 3.84Å; Y462-F485 HydrophobicContact CE2-CZ 3.84Å; Y462-F485 AromaticContact CZ-CZ 3.4Å; Y462-F485 WeakPolarHBondContact OH-CZ 3.22Å; Y462-W486 HydrophobicContact CD1-CB 3.56Å; Y462-W486 HydrophobicContact CD1-CD2 4.34Å; Y462-W486 AromaticContact CD1-CG 3.75Å; Y462-W486 HydrophobicContact CD1-CG 3.75Å; Y462-W486 HydrophobicContact CE1-CB 4.05Å; Y462-W486 HydrophobicContact CE1-CD2 4.46Å; Y462-W486 HydrophobicContact CE1-CG 4.25Å; Y462-W486 HydrophobicContact CG-CB 4.28Å
463	L	97.9	Very high	96.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	110.8	170.9	176.3	58.3	0	0	0	109.1	L439 F454 L460 L465 L478 L481 W486 L487 D488	L439-L463 HydrophobicContact CB-CD1 4.36Å; L439-L463 HydrophobicContact CD2-CD1 4.04Å; L439-L463 HydrophobicContact CG-CD1 4.29Å; F454-L463 HydrophobicContact CE1-CD1 4.17Å; F454-L463 HydrophobicContact CE2-CD2 4.23Å; F454-L463 HydrophobicContact CZ-CD1 4.14Å; F454-L463 HydrophobicContact CZ-CD2 3.99Å; L460-L463 HydrophobicContact CD2-CB 4.06Å; L460-L463 HydrophobicContact CD2-CD1 4.4Å; L463-L465 HydrophobicContact CD1-CD1 4.05Å; L463-L465 HydrophobicContact CD1-CG 4.02Å; L463-L465 HydrophobicContact CD2-CD1 3.89Å; L463-L465 HydrophobicContact CG-CD1 3.86Å; L463-L465 HydrophobicContact CG-CG 4.17Å; L463-L478 HydrophobicContact CD2-CD2 3.89Å; L463-L481 HydrophobicContact CD2-CD1 3.72Å; L463-W486 PolarHBondContact N-O 3.13Å; L463-L487 HydrophobicContact CB-CD1 4.05Å; L463-L487 HydrophobicContact CD2-CD1 3.77Å; L463-L487 HydrophobicContact CG-CD1 3.89Å; L463-D488 PolarHBondContact O-N 3.11Å
464	L	98.4	Very high	96.3	Very high	29 Å²	29	38.3 Å²	38.3	15%	0.152	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114	-179.8	-46.8	177.3	0	0	0	109.2	L439 D440 L441 D488	L439-L464 PolarHBondContact O-N 3.4Å; D440-L464 HydrophobicContact CB-CD1 4.17Å; L441-L464 CarbonylContact C-O 3.54Å; L441-L464 WeakPolarHBondContact CA-O 3.32Å; L441-L464 WeakPolarHBondContact CB-O 3.28Å; L441-L464 PolarHBondContact N-O 2.92Å; L464-D488 HydrophobicContact CD2-CB 3.97Å
465	L	98.1	Very high	95.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.218	C	C	.	.			trans	-124.9	15.7	-179.1	-74	162.3	0	0	0	111.1	L441 L446 L449 L463 N468 L470 D488 V489 N492	L441-L465 HydrophobicContact CB-CD2 3.88Å; L441-L465 HydrophobicContact CD1-CD2 3.73Å; L441-L465 HydrophobicContact CG-CD2 4.47Å; L446-L465 HydrophobicContact CD1-CD2 4.33Å; L449-L465 HydrophobicContact CD1-CD1 4.03Å; L449-L465 HydrophobicContact CD1-CD2 4.42Å; L449-L465 HydrophobicContact CD2-CD2 4.47Å; L463-L465 HydrophobicContact CD1-CD1 4.05Å; L463-L465 HydrophobicContact CD1-CG 4.02Å; L463-L465 HydrophobicContact CD2-CD1 3.89Å; L463-L465 HydrophobicContact CG-CD1 3.86Å; L463-L465 HydrophobicContact CG-CG 4.17Å; L465-N468 PolarHBondContact O-ND2 3.05Å; L465-L470 HydrophobicContact CB-CD1 4.35Å; L465-L470 HydrophobicContact CD2-CD1 4.45Å; L465-D488 CarbonylContact C-O 3.49Å; L465-D488 WeakPolarHBondContact CA-O 3.42Å; L465-D488 WeakPolarHBondContact CB-O 3.49Å; L465-D488 PolarHBondContact N-O 3Å; L465-V489 HydrophobicContact CB-CG1 4.17Å; L465-V489 HydrophobicContact CD1-CG1 4.16Å; L465-N492 PolarHBondContact O-ND2 2.95Å
466	S	97.9	Very high	95.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	22%	0.218	C	C	.	.			trans	-64.9	158.2	-175.6	65.5	0	0	0	0	112	T442 S443 N468 D488 S490	T442-S466 CarbonylContact C-O 3.47Å; T442-S466 WeakPolarHBondContact CA-O 3.36Å; T442-S466 WeakPolarHBondContact CG2-OG 3.44Å; T442-S466 PolarHBondContact OG1-OG 2.88Å; S443-S466 PolarHBondContact N-O 3.26Å; S466-N468 PolarHBondContact O-N 3.24Å; S466-N468 PolarHBondContact O-ND2 3.07Å; S466-D488 WeakPolarHBondContact CB-OD1 3.4Å; S466-D488 PolarHBondContact N-O 2.99Å; S466-S490 CarbonylContact C-O 3.46Å; S466-S490 WeakPolarHBondContact CA-O 3.46Å; S466-S490 WeakPolarHBondContact CB-OG 3.22Å
467	H	98.1	Very high	95.4	Very high	75 Å²	75	37.8 Å²	37.8	35%	0.347	20%	0.197	S	C	.	.	S	Bend	trans	55.3	49.6	178.4	-67.4	-86.9	0	0	0	113.2	S443 N444 S490 H491	S443-H467 CarbonylContact C-O 3.05Å; S443-H467 VanDerWaalsContact CA-O 3.26Å; S443-H467 WeakPolarHBondContact CA-O 3.46Å; N444-H467 PolarHBondContact N-O 2.9Å; H467-S490 PolarHBondContact N-O 2.83Å; H467-H491 VanDerWaalsContact CA-O 3.27Å; H467-H491 WeakPolarHBondContact CA-O 3.48Å; H467-H491 HydrophobicContact CB-CB 4.39Å; H467-H491 AromaticContact CE1-CD2 3.65Å; H467-H491 AromaticContact CE1-CE1 3.75Å; H467-H491 AromaticContact CE1-CG 3.35Å; H467-H491 AromaticContact CE1-ND1 3.45Å; H467-H491 PolarHBondContact CE1-ND1 2.94Å; H467-H491 AromaticContact CE1-NE2 3.95Å; H467-H491 PolarHBondContact N-O 3.27Å; H467-H491 AromaticContact ND1-CG 3.73Å; H467-H491 AromaticContact ND1-ND1 3.96Å; H467-H491 AromaticContact NE2-CD2 3.47Å; H467-H491 PolarHBondContact NE2-CD2 2.83Å; H467-H491 AromaticContact NE2-CG 3.59Å; H467-H491 AromaticContact NE2-NE2 3.91Å
468	N	98.6	Very high	95.2	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	20%	0.197	C	C	.	.	S	Bend	trans	-118.1	-164	173.3	-86.7	-80.4	0	0	0	110.3	L441 N444 Q445 L446 L465 S466 L470 H491 N492	L441-N468 PolarHBondContact O-ND2 3.15Å; N444-N468 VanDerWaalsContact CA-OD1 3.31Å; N444-N468 WeakPolarHBondContact CA-OD1 3.39Å; N444-N468 WeakPolarHBondContact CB-OD1 3.41Å; N444-N468 PolarHBondContact O-OD1 3.39Å; Q445-N468 PolarHBondContact N-OD1 2.98Å; L446-N468 HydrophobicContact CB-CB 4.39Å; L446-N468 VanDerWaalsContact CB-OD1 3.32Å; L446-N468 WeakPolarHBondContact CB-OD1 3.36Å; L446-N468 WeakPolarHBondContact CG-OD1 3.33Å; L446-N468 PolarHBondContact N-OD1 3.33Å; L465-N468 PolarHBondContact O-ND2 3.05Å; S466-N468 PolarHBondContact O-N 3.24Å; S466-N468 PolarHBondContact O-ND2 3.07Å; N468-L470 HydrophobicContact CB-CG 4.25Å; N468-H491 PolarHBondContact N-O 2.89Å; N468-N492 WeakPolarHBondContact CA-OD1 3.28Å; N468-N492 WeakPolarHBondContact CB-OD1 3.31Å
469	R	97.9	Very high	95	Very high	101 Å²	101	38.1 Å²	38.1	38%	0.381	20%	0.2	S	C	.	.			trans	-124.4	27.5	179.2	-58.8	179.4	-176.1	151.9	5.6	111.7	Q445 L446 T447 A471 N492	Q445-R469 VanDerWaalsContact OE1-NH2 3.17Å; L446-R469 CarbonylContact O-C 3.33Å; L446-R469 VanDerWaalsContact O-CA 3.23Å; L446-R469 WeakPolarHBondContact O-CA 3.33Å; L446-R469 WeakPolarHBondContact O-CB 3.04Å; L446-R469 PolarHBondContact O-N 3.37Å; T447-R469 HydrophobicContact CG2-CB 4.24Å; R469-A471 PolarHBondContact O-N 3.33Å; R469-N492 PolarHBondContact N-OD1 3.01Å
470	L	97.6	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.			trans	-66	121.7	-176.3	-62	170.1	0	0	0	110	L446 L449 L465 N468 L473 N492 R493 L494	L446-L470 HydrophobicContact CB-CD2 4.02Å; L446-L470 PolarHBondContact O-N 3.2Å; L446-L470 VanDerWaalsContact O-N 3.15Å; L449-L470 HydrophobicContact CD2-CD2 4.34Å; L449-L470 HydrophobicContact CG-CD2 4.05Å; L465-L470 HydrophobicContact CB-CD1 4.35Å; L465-L470 HydrophobicContact CD2-CD1 4.45Å; N468-L470 HydrophobicContact CB-CG 4.25Å; L470-L473 HydrophobicContact CD1-CD2 4.15Å; L470-N492 HydrophobicContact CB-CB 4.31Å; L470-N492 VanDerWaalsContact CB-OD1 3.3Å; L470-N492 WeakPolarHBondContact CB-OD1 3.43Å; L470-N492 WeakPolarHBondContact CG-OD1 3.29Å; L470-N492 PolarHBondContact N-OD1 3.12Å; L470-R493 CarbonylContact O-C 3.58Å; L470-R493 VanDerWaalsContact O-CA 3.25Å; L470-R493 WeakPolarHBondContact O-CA 3.33Å; L470-R493 WeakPolarHBondContact O-CB 3.38Å; L470-R493 PolarHBondContact O-N 3.08Å; L470-L494 HydrophobicContact CB-CD2 4.07Å; L470-L494 PolarHBondContact O-N 2.94Å; L470-L494 VanDerWaalsContact O-N 3.16Å
471	A	95.6	Very high	94.7	Very high	46 Å²	46	36.2 Å²	36.2	38%	0.38	19%	0.194	S	C	.	.			trans	-91.1	-29.1	176.1	0	0	0	0	0	112.4	R469 L494 E495	R469-A471 PolarHBondContact O-N 3.33Å; A471-L494 WeakPolarHBondContact O-CA 3.26Å; A471-E495 PolarHBondContact O-N 3.36Å
472	E	94.1	Very high	94.4	Very high	132 Å²	132	39.9 Å²	39.9	62%	0.617	21%	0.211	S	C	*	.			trans	-147.9	162.3	178.1	62.9	179.5	-166.8	0	0	111
473	L	92.9	Very high	94.3	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	22%	0.216	C	C	.	.			trans	-121.6	127.1	169	-68	175.3	0	0	0	108.2	L449 L470 A475 V489 L494 L497 L501	L449-L473 HydrophobicContact CD1-CD2 3.74Å; L449-L473 HydrophobicContact CG-CD2 4.42Å; L470-L473 HydrophobicContact CD1-CD2 4.15Å; L473-A475 PolarHBondContact O-N 2.89Å; L473-V489 HydrophobicContact CD1-CG1 4.25Å; L473-L494 HydrophobicContact CD1-CD1 4.36Å; L473-L494 HydrophobicContact CD1-CD2 4.49Å; L473-L494 HydrophobicContact CG-CD2 3.97Å; L473-L497 HydrophobicContact CD1-CD2 4.01Å; L473-L501 HydrophobicContact CB-CD2 3.77Å; L473-L501 HydrophobicContact CD1-CD2 3.9Å
474	P	90.5	Very high	94.1	Very high	17 Å²	17	41.3 Å²	41.3	11%	0.11	22%	0.216	C	C	.	.			trans	-59.8	138.3	178.1	-17.5	26.9	0	0	0	111.2	L449 H451 D476 A477 L501	L449-P474 WeakPolarHBondContact O-CG 3.36Å; H451-P474 WeakPolarHBondContact ND1-CB 3.38Å; P474-D476 PolarHBondContact O-N 2.97Å; P474-A477 HydrophobicContact CB-CB 3.97Å; P474-A477 HydrophobicContact CG-CB 4.07Å; P474-A477 WeakPolarHBondContact O-CB 3.34Å; P474-A477 PolarHBondContact O-N 3.4Å; P474-L501 WeakPolarHBondContact O-CD1 3.35Å
475	A	86.5	Confident	93.9	Very high	45 Å²	45	42 Å²	42	37%	0.372	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.1	-170.2	0	0	0	0	0	114.5	L473 P498	L473-A475 PolarHBondContact O-N 2.89Å; A475-P498 HydrophobicContact CB-CB 4.04Å; A475-P498 HydrophobicContact CB-CG 4.2Å
476	D	87.8	Confident	93.8	Very high	88 Å²	88	44 Å²	44	47%	0.471	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-9.6	-178.8	59.9	-29.6	0	0	0	113.9	H451 P474 L478 G479	H451-D476 IonicContact CE1-OD1 3.93Å; H451-D476 IonicContact CG-OD1 3.74Å; H451-D476 IonicContact ND1-OD1 3.53Å; H451-D476 PolarHBondContact ND1-OD1 3.32Å; H451-D476 IonicContact ND1-OD2 3.66Å; P474-D476 PolarHBondContact O-N 2.97Å; D476-L478 VanDerWaalsContact C-N 3.3Å; D476-L478 PolarHBondContact O-N 3.44Å; D476-G479 PolarHBondContact O-N 3.41Å
477	A	90.3	Very high	93.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.2	-171.2	0	0	0	0	0	113.2	H451 F454 P474	H451-A477 WeakPolarHBondContact O-CA 3.46Å; F454-A477 WeakPolarHBondContact CD2-O 3.46Å; P474-A477 HydrophobicContact CB-CB 3.97Å; P474-A477 HydrophobicContact CG-CB 4.07Å; P474-A477 WeakPolarHBondContact O-CB 3.34Å; P474-A477 PolarHBondContact O-N 3.4Å
478	L	92.1	Very high	93.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.9	-177.5	-53.4	-177.8	0	0	0	113.5	F454 L463 D476 P480 L481 L487 L501 L505	F454-L478 HydrophobicContact CD2-CD2 3.97Å; F454-L478 HydrophobicContact CE2-CD2 3.72Å; L463-L478 HydrophobicContact CD2-CD2 3.89Å; D476-L478 VanDerWaalsContact C-N 3.3Å; D476-L478 PolarHBondContact O-N 3.44Å; L478-P480 VanDerWaalsContact C-CD 3.45Å; L478-P480 VanDerWaalsContact C-N 3.32Å; L478-L481 HydrophobicContact CB-CD1 4.26Å; L478-L481 HydrophobicContact CD2-CD1 3.69Å; L478-L481 WeakPolarHBondContact O-CB 3.33Å; L478-L481 PolarHBondContact O-N 3.43Å; L478-L487 HydrophobicContact CD1-CD2 3.89Å; L478-L501 HydrophobicContact CB-CD1 4.03Å; L478-L501 HydrophobicContact CD1-CD1 3.89Å; L478-L501 HydrophobicContact CD1-CD2 4.11Å; L478-L501 HydrophobicContact CD1-CG 3.87Å; L478-L501 HydrophobicContact CG-CD1 3.74Å; L478-L501 HydrophobicContact CG-CG 4.29Å; L478-L505 HydrophobicContact CB-CD1 4.43Å; L478-L505 HydrophobicContact CB-CD2 4.16Å; L478-L505 HydrophobicContact CB-CG 4.47Å; L478-L505 HydrophobicContact CD1-CD1 3.99Å
479	G	91.3	Very high	93.5	Very high	31 Å²	31	40.9 Å²	40.9	32%	0.32	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.1	-178.3	0	0	0	0	0	115.3	D476 L481	D476-G479 PolarHBondContact O-N 3.41Å; G479-L481 VanDerWaalsContact C-N 3.27Å; G479-L481 PolarHBondContact O-N 3.43Å
480	P	94.1	Very high	93.5	Very high	27 Å²	27	36.2 Å²	36.2	18%	0.175	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.5	175.8	-25.9	36.9	0	0	0	115.6	F454 G458 L478 Q482	F454-P480 WeakPolarHBondContact O-CB 3.42Å; G458-P480 WeakPolarHBondContact CA-O 3.22Å; L478-P480 VanDerWaalsContact C-CD 3.45Å; L478-P480 VanDerWaalsContact C-N 3.32Å; P480-Q482 VanDerWaalsContact C-N 3.28Å; P480-Q482 PolarHBondContact O-N 3.44Å
481	L	94.3	Very high	93.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.211	C	C	.	.			trans	-84.5	56.9	-168	-55.8	-176.5	0	0	0	113.4	F454 L457 L460 L463 L478 G479 R483 A484 L505	F454-L481 HydrophobicContact CB-CD2 3.77Å; F454-L481 HydrophobicContact CB-CG 4.24Å; F454-L481 HydrophobicContact CD2-CD1 4.28Å; F454-L481 HydrophobicContact CG-CD1 4.39Å; F454-L481 HydrophobicContact CG-CD2 4.21Å; L457-L481 HydrophobicContact CB-CD2 3.93Å; L460-L481 HydrophobicContact CB-CD2 3.98Å; L460-L481 HydrophobicContact CD2-CD1 4.24Å; L460-L481 HydrophobicContact CD2-CD2 3.71Å; L463-L481 HydrophobicContact CD2-CD1 3.72Å; L478-L481 HydrophobicContact CB-CD1 4.26Å; L478-L481 HydrophobicContact CD2-CD1 3.69Å; L478-L481 WeakPolarHBondContact O-CB 3.33Å; L478-L481 PolarHBondContact O-N 3.43Å; G479-L481 VanDerWaalsContact C-N 3.27Å; G479-L481 PolarHBondContact O-N 3.43Å; L481-R483 PolarHBondContact O-N 2.86Å; L481-A484 HydrophobicContact CB-CB 3.95Å; L481-A484 PolarHBondContact O-N 3.49Å; L481-A484 VanDerWaalsContact O-N 3.11Å; L481-L505 HydrophobicContact CB-CD2 3.85Å; L481-L505 WeakPolarHBondContact O-CD2 3.45Å
482	Q	90.6	Very high	93.6	Very high	138 Å²	138	38.1 Å²	38.1	65%	0.645	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.1	-171.4	-62.6	178.2	-3.2	0	0	115.3	P480	P480-Q482 VanDerWaalsContact C-N 3.28Å; P480-Q482 PolarHBondContact O-N 3.44Å
483	R	95.1	Very high	93.8	Very high	112 Å²	112	38.6 Å²	38.6	42%	0.423	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-5.3	179.6	-77.7	-173.9	136.3	97.6	-1.9	114.5	G458 L460 L481 F485	G458-R483 WeakPolarHBondContact O-CG 3.48Å; L460-R483 CarbonylContact O-C 3.6Å; L481-R483 PolarHBondContact O-N 2.86Å; R483-F485 PolarHBondContact O-N 2.96Å; R483-F485 VanDerWaalsContact O-N 3.17Å
484	A	94.8	Very high	94	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	19%	0.19	C	C	.	.			trans	-63.6	122.9	-175.3	0	0	0	0	0	109.4	L460 L481 L505 R507 L508	L460-A484 WeakPolarHBondContact O-CA 3.3Å; L460-A484 PolarHBondContact O-N 3.34Å; L481-A484 HydrophobicContact CB-CB 3.95Å; L481-A484 PolarHBondContact O-N 3.49Å; L481-A484 VanDerWaalsContact O-N 3.11Å; A484-L505 HydrophobicContact CB-CD2 4.26Å; A484-R507 CarbonylContact O-C 3.42Å; A484-L508 PolarHBondContact O-N 2.95Å
485	F	94.3	Very high	94.2	Very high	44 Å²	44	44 Å²	44	19%	0.193	22%	0.216	C	C	.	.			trans	-118.3	-17.6	177.1	77.7	-97.1	0	0	0	112.1	E461 Y462 R483 R507 R509 Y510	E461-F485 HydrophobicContact CB-CD1 3.86Å; E461-F485 HydrophobicContact CB-CE1 3.66Å; E461-F485 HydrophobicContact CG-CD1 4.11Å; E461-F485 HydrophobicContact CG-CE1 4.04Å; E461-F485 PolarHBondContact O-N 3.21Å; Y462-F485 HydrophobicContact CE1-CE2 4.23Å; Y462-F485 AromaticContact CE1-CZ 3.85Å; Y462-F485 HydrophobicContact CE1-CZ 3.85Å; Y462-F485 AromaticContact CE2-CE1 3.97Å; Y462-F485 HydrophobicContact CE2-CE1 3.97Å; Y462-F485 AromaticContact CE2-CZ 3.84Å; Y462-F485 HydrophobicContact CE2-CZ 3.84Å; Y462-F485 AromaticContact CZ-CZ 3.4Å; Y462-F485 WeakPolarHBondContact OH-CZ 3.22Å; R483-F485 PolarHBondContact O-N 2.96Å; R483-F485 VanDerWaalsContact O-N 3.17Å; F485-R507 WeakPolarHBondContact CA-O 3.47Å; F485-R507 WeakPolarHBondContact CB-O 3.07Å; F485-R509 PolarHBondContact O-N 3.5Å; F485-Y510 AromaticContact CD2-CD2 3.94Å; F485-Y510 HydrophobicContact CD2-CD2 3.94Å; F485-Y510 HydrophobicContact CD2-CE2 4.33Å; F485-Y510 HydrophobicContact CE2-CD2 4.24Å; F485-Y510 HydrophobicContact CE2-CE2 4.43Å; F485-Y510 PolarHBondContact O-N 2.79Å
486	W	95.2	Very high	94.4	Very high	42 Å²	42	44.6 Å²	44.6	16%	0.159	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.8	175	-170.4	-73.5	0	0	0	111	E461 Y462 L463 Y510 W532 I565	E461-W486 PolarHBondContact O-N 3.09Å; Y462-W486 HydrophobicContact CD1-CB 3.56Å; Y462-W486 HydrophobicContact CD1-CD2 4.34Å; Y462-W486 AromaticContact CD1-CG 3.75Å; Y462-W486 HydrophobicContact CD1-CG 3.75Å; Y462-W486 HydrophobicContact CE1-CB 4.05Å; Y462-W486 HydrophobicContact CE1-CD2 4.46Å; Y462-W486 HydrophobicContact CE1-CG 4.25Å; Y462-W486 HydrophobicContact CG-CB 4.28Å; L463-W486 PolarHBondContact N-O 3.13Å; W486-Y510 HydrophobicContact CD2-CG 4.2Å; W486-Y510 AromaticContact CE3-CD1 3.77Å; W486-Y510 HydrophobicContact CE3-CD1 3.77Å; W486-Y510 AromaticContact CE3-CD2 3.68Å; W486-Y510 HydrophobicContact CE3-CD2 3.68Å; W486-Y510 AromaticContact CE3-CG 3.28Å; W486-Y510 HydrophobicContact CE3-CG 3.28Å; W486-Y510 HydrophobicContact CH2-CD1 4.1Å; W486-Y510 HydrophobicContact CH2-CG 4.38Å; W486-Y510 AromaticContact CZ3-CD1 3.31Å; W486-Y510 HydrophobicContact CZ3-CD1 3.31Å; W486-Y510 HydrophobicContact CZ3-CD2 4.03Å; W486-Y510 AromaticContact CZ3-CE1 3.95Å; W486-Y510 HydrophobicContact CZ3-CE1 3.95Å; W486-Y510 AromaticContact CZ3-CG 3.39Å; W486-Y510 HydrophobicContact CZ3-CG 3.39Å; W486-W532 AromaticContact CH2-CH2 3.99Å; W486-W532 HydrophobicContact CH2-CH2 3.99Å; W486-W532 HydrophobicContact CH2-CZ3 4.42Å; W486-W532 HydrophobicContact CZ2-CH2 4.46Å; W486-I565 HydrophobicContact CH2-CD1 3.6Å; W486-I565 HydrophobicContact CZ2-CD1 3.91Å
487	L	95.4	Very high	94.5	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.8	174.8	178.3	59.2	0	0	0	110	L463 L478 V489 L502 L505 L508 Y510 L511 N512	L463-L487 HydrophobicContact CB-CD1 4.05Å; L463-L487 HydrophobicContact CD2-CD1 3.77Å; L463-L487 HydrophobicContact CG-CD1 3.89Å; L478-L487 HydrophobicContact CD1-CD2 3.89Å; L487-V489 HydrophobicContact CD1-CG1 3.83Å; L487-V489 HydrophobicContact CG-CG1 4.09Å; L487-L502 HydrophobicContact CD2-CD2 4.4Å; L487-L505 HydrophobicContact CD2-CD1 4.11Å; L487-L508 HydrophobicContact CB-CD1 3.86Å; L487-Y510 PolarHBondContact N-O 3.09Å; L487-L511 HydrophobicContact CB-CD1 4.06Å; L487-L511 HydrophobicContact CD2-CD1 3.91Å; L487-L511 HydrophobicContact CG-CD1 4Å; L487-L511 WeakPolarHBondContact O-CA 3.32Å; L487-N512 PolarHBondContact O-N 2.96Å
488	D	96.9	Very high	94.2	Very high	15 Å²	15	43.9 Å²	43.9	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.1	171.7	-161.5	-29.2	0	0	0	110.7	L463 L464 L465 S466 S490 N512	L463-D488 PolarHBondContact O-N 3.11Å; L464-D488 HydrophobicContact CD2-CB 3.97Å; L465-D488 CarbonylContact C-O 3.49Å; L465-D488 WeakPolarHBondContact CA-O 3.42Å; L465-D488 WeakPolarHBondContact CB-O 3.49Å; L465-D488 PolarHBondContact N-O 3Å; S466-D488 WeakPolarHBondContact CB-OD1 3.4Å; S466-D488 PolarHBondContact N-O 2.99Å; D488-S490 VanDerWaalsContact OD1-CB 3.24Å; D488-S490 WeakPolarHBondContact OD1-CB 3.26Å; D488-S490 PolarHBondContact OD1-N 2.87Å; D488-S490 PolarHBondContact OD1-OG 3.43Å; D488-N512 HydrophobicContact CB-CB 4.27Å; D488-N512 PolarHBondContact OD1-ND2 3.29Å; D488-N512 PolarHBondContact OD2-ND2 3.06Å
489	V	97	Very high	93.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.235	C	C	.	.			trans	-124.5	23.6	173.5	-63.3	0	0	0	0	110.7	L465 L473 L487 N492 L494 N512 L513 N516	L465-V489 HydrophobicContact CB-CG1 4.17Å; L465-V489 HydrophobicContact CD1-CG1 4.16Å; L473-V489 HydrophobicContact CD1-CG1 4.25Å; L487-V489 HydrophobicContact CD1-CG1 3.83Å; L487-V489 HydrophobicContact CG-CG1 4.09Å; V489-N492 PolarHBondContact O-ND2 2.81Å; V489-N492 VanDerWaalsContact O-ND2 3.11Å; V489-L494 HydrophobicContact CB-CD1 3.95Å; V489-L494 HydrophobicContact CG2-CD1 3.77Å; V489-N512 CarbonylContact C-O 3.44Å; V489-N512 WeakPolarHBondContact CG2-O 3.3Å; V489-N512 PolarHBondContact N-O 2.77Å; V489-L513 HydrophobicContact CG2-CD2 3.4Å; V489-N516 PolarHBondContact O-ND2 3.08Å
490	S	96.9	Very high	92.9	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.028	24%	0.244	C	C	.	.			trans	-67.1	161.8	179.6	63.8	0	0	0	0	112.6	S466 H467 D488 N492 N512 R514	S466-S490 CarbonylContact C-O 3.46Å; S466-S490 WeakPolarHBondContact CA-O 3.46Å; S466-S490 WeakPolarHBondContact CB-OG 3.22Å; H467-S490 PolarHBondContact N-O 2.83Å; D488-S490 VanDerWaalsContact OD1-CB 3.24Å; D488-S490 WeakPolarHBondContact OD1-CB 3.26Å; D488-S490 PolarHBondContact OD1-N 2.87Å; D488-S490 PolarHBondContact OD1-OG 3.43Å; S490-N492 VanDerWaalsContact C-N 3.31Å; S490-N492 PolarHBondContact O-N 3.36Å; S490-N492 PolarHBondContact O-ND2 2.98Å; S490-N492 VanDerWaalsContact O-ND2 3.11Å; S490-N512 WeakPolarHBondContact CB-OD1 3.33Å; S490-N512 PolarHBondContact N-O 3.34Å; S490-N512 PolarHBondContact OG-ND2 2.99Å; S490-R514 CarbonylContact C-O 3.54Å; S490-R514 WeakPolarHBondContact CA-O 3.47Å; S490-R514 VanDerWaalsContact CB-O 3.28Å; S490-R514 WeakPolarHBondContact CB-O 3.22Å
491	H	97.5	Very high	92.5	Very high	73 Å²	73	46.1 Å²	46.1	34%	0.338	24%	0.236	S	C	.	.	S	Bend	trans	53.5	48.7	-180	-66.4	-94.5	0	0	0	112.3	H467 N468 R514 N515	H467-H491 VanDerWaalsContact CA-O 3.27Å; H467-H491 WeakPolarHBondContact CA-O 3.48Å; H467-H491 HydrophobicContact CB-CB 4.39Å; H467-H491 AromaticContact CE1-CD2 3.65Å; H467-H491 AromaticContact CE1-CE1 3.75Å; H467-H491 AromaticContact CE1-CG 3.35Å; H467-H491 AromaticContact CE1-ND1 3.45Å; H467-H491 PolarHBondContact CE1-ND1 2.94Å; H467-H491 AromaticContact CE1-NE2 3.95Å; H467-H491 PolarHBondContact N-O 3.27Å; H467-H491 AromaticContact ND1-CG 3.73Å; H467-H491 AromaticContact ND1-ND1 3.96Å; H467-H491 AromaticContact NE2-CD2 3.47Å; H467-H491 PolarHBondContact NE2-CD2 2.83Å; H467-H491 AromaticContact NE2-CG 3.59Å; H467-H491 AromaticContact NE2-NE2 3.91Å; N468-H491 PolarHBondContact N-O 2.89Å; H491-R514 PolarHBondContact N-O 3.39Å; H491-N515 WeakPolarHBondContact CA-O 3.37Å; H491-N515 PolarHBondContact CE1-ND2 3.19Å; H491-N515 PolarHBondContact N-O 3.25Å; H491-N515 PolarHBondContact NE2-ND2 3.11Å
492	N	98.6	Very high	92	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.064	24%	0.237	C	C	.	.	S	Bend	trans	-122	-161.8	174.3	-87	-77.7	0	0	0	109.5	L465 N468 R469 L470 V489 S490 L494 N515 N516	L465-N492 PolarHBondContact O-ND2 2.95Å; N468-N492 WeakPolarHBondContact CA-OD1 3.28Å; N468-N492 WeakPolarHBondContact CB-OD1 3.31Å; R469-N492 PolarHBondContact N-OD1 3.01Å; L470-N492 HydrophobicContact CB-CB 4.31Å; L470-N492 VanDerWaalsContact CB-OD1 3.3Å; L470-N492 WeakPolarHBondContact CB-OD1 3.43Å; L470-N492 WeakPolarHBondContact CG-OD1 3.29Å; L470-N492 PolarHBondContact N-OD1 3.12Å; V489-N492 PolarHBondContact O-ND2 2.81Å; V489-N492 VanDerWaalsContact O-ND2 3.11Å; S490-N492 VanDerWaalsContact C-N 3.31Å; S490-N492 PolarHBondContact O-N 3.36Å; S490-N492 PolarHBondContact O-ND2 2.98Å; S490-N492 VanDerWaalsContact O-ND2 3.11Å; N492-L494 HydrophobicContact CB-CG 4.21Å; N492-N515 PolarHBondContact N-O 2.64Å; N492-N516 WeakPolarHBondContact CA-OD1 3.4Å; N492-N516 WeakPolarHBondContact CB-OD1 3.21Å
493	R	97.8	Very high	91.7	Very high	142 Å²	142	42.7 Å²	42.7	54%	0.536	23%	0.231	S	C	.	.			trans	-123.6	26.7	180	-59.3	179.4	-178.7	178	-2.2	111.6	L470 E495 N516	L470-R493 CarbonylContact O-C 3.58Å; L470-R493 VanDerWaalsContact O-CA 3.25Å; L470-R493 WeakPolarHBondContact O-CA 3.33Å; L470-R493 WeakPolarHBondContact O-CB 3.38Å; L470-R493 PolarHBondContact O-N 3.08Å; R493-E495 PolarHBondContact O-N 3.16Å; R493-N516 PolarHBondContact N-OD1 3.23Å
494	L	97.3	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.			trans	-64.5	121.7	-173	-62.8	171.6	0	0	0	110.5	L470 A471 L473 V489 N492 L497 N516 S517 L518	L470-L494 HydrophobicContact CB-CD2 4.07Å; L470-L494 PolarHBondContact O-N 2.94Å; L470-L494 VanDerWaalsContact O-N 3.16Å; A471-L494 WeakPolarHBondContact O-CA 3.26Å; L473-L494 HydrophobicContact CD1-CD1 4.36Å; L473-L494 HydrophobicContact CD1-CD2 4.49Å; L473-L494 HydrophobicContact CG-CD2 3.97Å; V489-L494 HydrophobicContact CB-CD1 3.95Å; V489-L494 HydrophobicContact CG2-CD1 3.77Å; N492-L494 HydrophobicContact CB-CG 4.21Å; L494-L497 HydrophobicContact CD1-CD2 4.2Å; L494-N516 HydrophobicContact CB-CB 4.3Å; L494-N516 VanDerWaalsContact CB-OD1 3.31Å; L494-N516 WeakPolarHBondContact CB-OD1 3.37Å; L494-N516 WeakPolarHBondContact CG-OD1 3.31Å; L494-N516 PolarHBondContact N-OD1 3.26Å; L494-S517 CarbonylContact O-C 3.43Å; L494-S517 VanDerWaalsContact O-CA 3.24Å; L494-S517 WeakPolarHBondContact O-CA 3.09Å; L494-S517 WeakPolarHBondContact O-CB 3.28Å; L494-S517 PolarHBondContact O-N 3.21Å; L494-L518 HydrophobicContact CB-CD2 4.22Å; L494-L518 PolarHBondContact O-N 3.29Å; L494-L518 VanDerWaalsContact O-N 3.08Å
495	E	95	Very high	90.6	Very high	139 Å²	139	39.3 Å²	39.3	65%	0.65	22%	0.224	S	C	*	.			trans	-89.7	-31.7	179.1	-64.1	-173.2	-175.8	0	0	112.6	A471 R493	A471-E495 PolarHBondContact O-N 3.36Å; R493-E495 PolarHBondContact O-N 3.16Å
496	A	91.2	Very high	90.1	Very high	57 Å²	57	40.6 Å²	40.6	47%	0.471	25%	0.249	S	C	.	.			trans	-149.1	157.5	176.3	0	0	0	0	0	111.1
497	L	89.8	Confident	89.9	Confident	29 Å²	29	45.4 Å²	45.4	15%	0.152	27%	0.268	C	S	.	.			trans	-118.7	117.9	168.5	-72.4	171.5	0	0	0	108.6	L473 L494 G499 L501 L513 L518 F521	L473-L497 HydrophobicContact CD1-CD2 4.01Å; L494-L497 HydrophobicContact CD1-CD2 4.2Å; L497-G499 PolarHBondContact O-N 3.22Å; L497-L501 HydrophobicContact CD2-CD2 3.99Å; L497-L513 HydrophobicContact CD1-CD1 3.77Å; L497-L513 HydrophobicContact CD1-CD2 3.52Å; L497-L513 HydrophobicContact CD1-CG 4.31Å; L497-L518 HydrophobicContact CD1-CD1 4.31Å; L497-L518 HydrophobicContact CG-CD2 4.19Å; L497-F521 HydrophobicContact CD1-CD2 4.09Å; L497-F521 HydrophobicContact CD1-CE2 4Å
498	P	83.8	Confident	89.8	Confident	45 Å²	45	45.4 Å²	45.4	29%	0.292	27%	0.267	S	S	.	.			trans	-58.3	134.6	176.8	-21.1	30.7	0	0	0	110.9	A475 S500 L501	A475-P498 HydrophobicContact CB-CB 4.04Å; A475-P498 HydrophobicContact CB-CG 4.2Å; P498-S500 PolarHBondContact O-N 3.27Å; P498-L501 HydrophobicContact CB-CB 4.27Å; P498-L501 WeakPolarHBondContact O-CB 3.37Å; P498-L501 PolarHBondContact O-N 3Å
499	G	74.8	Confident	89.5	Confident	35 Å²	35	50.6 Å²	50.6	36%	0.361	29%	0.286	S	S	.	.	H	α-helix	trans	-57.4	-37.4	-179.4	0	0	0	0	0	113.2	L497 L501 A503 Q524	L497-G499 PolarHBondContact O-N 3.22Å; G499-L501 PolarHBondContact O-N 3.08Å; G499-A503 PolarHBondContact O-N 2.97Å; G499-Q524 PolarHBondContact O-OE1 2.96Å
500	S	79.8	Confident	89.3	Confident	72 Å²	72	53.4 Å²	53.4	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-23.7	177.1	58.3	0	0	0	0	114.1	P498 A503	P498-S500 PolarHBondContact O-N 3.27Å; S500-A503 PolarHBondContact O-N 2.98Å
501	L	85.6	Confident	89.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-53.6	-176	-175.2	69.3	0	0	0	110.6	L473 P474 L478 L497 P498 G499 S504	L473-L501 HydrophobicContact CB-CD2 3.77Å; L473-L501 HydrophobicContact CD1-CD2 3.9Å; P474-L501 WeakPolarHBondContact O-CD1 3.35Å; L478-L501 HydrophobicContact CB-CD1 4.03Å; L478-L501 HydrophobicContact CD1-CD1 3.89Å; L478-L501 HydrophobicContact CD1-CD2 4.11Å; L478-L501 HydrophobicContact CD1-CG 3.87Å; L478-L501 HydrophobicContact CG-CD1 3.74Å; L478-L501 HydrophobicContact CG-CG 4.29Å; L497-L501 HydrophobicContact CD2-CD2 3.99Å; P498-L501 HydrophobicContact CB-CB 4.27Å; P498-L501 WeakPolarHBondContact O-CB 3.37Å; P498-L501 PolarHBondContact O-N 3Å; G499-L501 PolarHBondContact O-N 3.08Å; L501-S504 PolarHBondContact O-OG 2.98Å
502	L	85.6	Confident	89	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-78.1	-25	-177.9	-60.8	-179	0	0	0	112.6	L487 S504 L505 L508 L511 F521 Q524	L487-L502 HydrophobicContact CD2-CD2 4.4Å; L502-S504 PolarHBondContact O-N 3.03Å; L502-L505 HydrophobicContact CD2-CD1 4.18Å; L502-L505 PolarHBondContact O-N 3.04Å; L502-L508 HydrophobicContact CD2-CD2 4.04Å; L502-L511 HydrophobicContact CD1-CD2 3.92Å; L502-L511 HydrophobicContact CD2-CD2 4.43Å; L502-F521 HydrophobicContact CD1-CE2 3.75Å; L502-F521 HydrophobicContact CD1-CZ 4.07Å; L502-Q524 HydrophobicContact CB-CB 4.47Å
503	A	82.9	Confident	88.9	Confident	62 Å²	62	49.9 Å²	49.9	51%	0.512	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-27.8	176.2	0	0	0	0	0	112.6	G499 S500 L505	G499-A503 PolarHBondContact O-N 2.97Å; S500-A503 PolarHBondContact O-N 2.98Å; A503-L505 VanDerWaalsContact C-N 3.3Å; A503-L505 PolarHBondContact O-N 3.07Å
504	S	81.4	Confident	88.8	Confident	41 Å²	41	44.4 Å²	44.4	29%	0.287	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.1	175.3	71.6	0	0	0	0	113.9	L501 L502 G506	L501-S504 PolarHBondContact O-OG 2.98Å; L502-S504 PolarHBondContact O-N 3.03Å; S504-G506 PolarHBondContact O-N 3.44Å
505	L	86.8	Confident	88.7	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	28%	0.275	C	S	.	.			trans	-94.4	65	-174.7	-58.4	-179.1	0	0	0	111.7	L478 L481 A484 L487 L502 A503 R507 L508	L478-L505 HydrophobicContact CB-CD1 4.43Å; L478-L505 HydrophobicContact CB-CD2 4.16Å; L478-L505 HydrophobicContact CB-CG 4.47Å; L478-L505 HydrophobicContact CD1-CD1 3.99Å; L481-L505 HydrophobicContact CB-CD2 3.85Å; L481-L505 WeakPolarHBondContact O-CD2 3.45Å; A484-L505 HydrophobicContact CB-CD2 4.26Å; L487-L505 HydrophobicContact CD2-CD1 4.11Å; L502-L505 HydrophobicContact CD2-CD1 4.18Å; L502-L505 PolarHBondContact O-N 3.04Å; A503-L505 VanDerWaalsContact C-N 3.3Å; A503-L505 PolarHBondContact O-N 3.07Å; L505-R507 PolarHBondContact O-N 3.41Å; L505-L508 HydrophobicContact CB-CB 4.02Å; L505-L508 HydrophobicContact CB-CD2 4.47Å; L505-L508 HydrophobicContact CD1-CD1 4.37Å; L505-L508 HydrophobicContact CD1-CD2 4.2Å; L505-L508 WeakPolarHBondContact O-CB 3.38Å; L505-L508 PolarHBondContact O-N 3.33Å
506	G	83.3	Confident	88.9	Confident	71 Å²	71	41 Å²	41	73%	0.732	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-7.4	-174.1	0	0	0	0	0	116.4	S504	S504-G506 PolarHBondContact O-N 3.44Å
507	R	91.2	Very high	89.2	Confident	143 Å²	143	40.6 Å²	40.6	54%	0.54	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	4.9	177.2	-65.5	-168.9	176.5	-155.9	-4	113.9	A484 F485 L505 R509	A484-R507 CarbonylContact O-C 3.42Å; F485-R507 WeakPolarHBondContact CA-O 3.47Å; F485-R507 WeakPolarHBondContact CB-O 3.07Å; L505-R507 PolarHBondContact O-N 3.41Å; R507-R509 PolarHBondContact O-N 3.05Å
508	L	91.9	Very high	89.5	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	23%	0.232	C	C	.	.			trans	-60.3	122.7	-177.7	-164.1	64.1	0	0	0	111.1	A484 L487 L502 L505 L511 L528	A484-L508 PolarHBondContact O-N 2.95Å; L487-L508 HydrophobicContact CB-CD1 3.86Å; L502-L508 HydrophobicContact CD2-CD2 4.04Å; L505-L508 HydrophobicContact CB-CB 4.02Å; L505-L508 HydrophobicContact CB-CD2 4.47Å; L505-L508 HydrophobicContact CD1-CD1 4.37Å; L505-L508 HydrophobicContact CD1-CD2 4.2Å; L505-L508 WeakPolarHBondContact O-CB 3.38Å; L505-L508 PolarHBondContact O-N 3.33Å; L508-L511 HydrophobicContact CD2-CB 4.27Å; L508-L511 HydrophobicContact CD2-CD1 4.5Å; L508-L511 HydrophobicContact CD2-CD2 4.23Å; L508-L528 HydrophobicContact CD2-CD2 4.23Å; L508-L528 HydrophobicContact CG-CD2 4.02Å
509	R	91.9	Very high	90.1	Very high	125 Å²	125	44.7 Å²	44.7	47%	0.472	25%	0.247	S	C	.	.			trans	-118.9	-36	178.7	-73	173	179.8	-145.2	8.5	112	F485 R507 E529 R530	F485-R509 PolarHBondContact O-N 3.5Å; R507-R509 PolarHBondContact O-N 3.05Å; R509-E529 HydrophobicContact CB-CB 4.31Å; R509-E529 HydrophobicContact CB-CG 4.15Å; R509-E529 VanDerWaalsContact CD-OE1 3.27Å; R509-E529 WeakPolarHBondContact CD-OE1 3.27Å; R509-E529 HydrophobicContact CG-CG 4.19Å; R509-E529 IonicContact CZ-OE1 2.98Å; R509-E529 IonicContact NE-OE1 2.95Å; R509-E529 PolarHBondContact NE-OE1 3.02Å; R509-E529 IonicContact NH1-OE1 3.99Å; R509-E529 PolarHBondContact NH1-OE1 3.36Å; R509-E529 PolarHBondContact O-N 3.33Å; R509-R530 PolarHBondContact O-N 2.89Å
510	Y	93.1	Very high	91	Very high	59 Å²	59	45.6 Å²	45.6	23%	0.231	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119	-176.1	-60.9	-94.8	0	0	0	108.9	F485 W486 L487 E529 R530 W532	F485-Y510 AromaticContact CD2-CD2 3.94Å; F485-Y510 HydrophobicContact CD2-CD2 3.94Å; F485-Y510 HydrophobicContact CD2-CE2 4.33Å; F485-Y510 HydrophobicContact CE2-CD2 4.24Å; F485-Y510 HydrophobicContact CE2-CE2 4.43Å; F485-Y510 PolarHBondContact O-N 2.79Å; W486-Y510 HydrophobicContact CD2-CG 4.2Å; W486-Y510 AromaticContact CE3-CD1 3.77Å; W486-Y510 HydrophobicContact CE3-CD1 3.77Å; W486-Y510 AromaticContact CE3-CD2 3.68Å; W486-Y510 HydrophobicContact CE3-CD2 3.68Å; W486-Y510 AromaticContact CE3-CG 3.28Å; W486-Y510 HydrophobicContact CE3-CG 3.28Å; W486-Y510 HydrophobicContact CH2-CD1 4.1Å; W486-Y510 HydrophobicContact CH2-CG 4.38Å; W486-Y510 AromaticContact CZ3-CD1 3.31Å; W486-Y510 HydrophobicContact CZ3-CD1 3.31Å; W486-Y510 HydrophobicContact CZ3-CD2 4.03Å; W486-Y510 AromaticContact CZ3-CE1 3.95Å; W486-Y510 HydrophobicContact CZ3-CE1 3.95Å; W486-Y510 AromaticContact CZ3-CG 3.39Å; W486-Y510 HydrophobicContact CZ3-CG 3.39Å; L487-Y510 PolarHBondContact N-O 3.09Å; Y510-E529 WeakPolarHBondContact CE2-OE2 3.49Å; Y510-E529 VanDerWaalsContact CZ-OE2 3.28Å; Y510-E529 PolarHBondContact OH-OE2 3.07Å; Y510-R530 WeakPolarHBondContact CA-O 3.09Å; Y510-R530 HydrophobicContact CD1-CB 3.59Å; Y510-R530 HydrophobicContact CD1-CG 3.76Å; Y510-R530 HydrophobicContact CE1-CB 3.97Å; Y510-R530 HydrophobicContact CE1-CG 3.6Å; Y510-R530 HydrophobicContact CG-CB 4.49Å; Y510-W532 AromaticContact CD1-CH2 3.94Å; Y510-W532 HydrophobicContact CD1-CH2 3.94Å; Y510-W532 HydrophobicContact CD1-CZ3 4.24Å
511	L	93.8	Very high	91.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	116.4	179.6	177.7	58.5	0	0	0	110.4	L487 L502 L508 L513 F521 L528 R530 L531 W532	L487-L511 HydrophobicContact CB-CD1 4.06Å; L487-L511 HydrophobicContact CD2-CD1 3.91Å; L487-L511 HydrophobicContact CG-CD1 4Å; L487-L511 WeakPolarHBondContact O-CA 3.32Å; L502-L511 HydrophobicContact CD1-CD2 3.92Å; L502-L511 HydrophobicContact CD2-CD2 4.43Å; L508-L511 HydrophobicContact CD2-CB 4.27Å; L508-L511 HydrophobicContact CD2-CD1 4.5Å; L508-L511 HydrophobicContact CD2-CD2 4.23Å; L511-L513 HydrophobicContact CD1-CD2 3.84Å; L511-L513 HydrophobicContact CD1-CG 4.25Å; L511-L513 HydrophobicContact CD2-CD1 4.08Å; L511-L513 HydrophobicContact CD2-CD2 4.36Å; L511-L513 HydrophobicContact CD2-CG 4.21Å; L511-L513 HydrophobicContact CG-CD1 4.35Å; L511-L513 HydrophobicContact CG-CD2 4.08Å; L511-L513 HydrophobicContact CG-CG 3.93Å; L511-F521 HydrophobicContact CD2-CZ 4.14Å; L511-L528 HydrophobicContact CB-CD2 4.06Å; L511-R530 PolarHBondContact N-O 3.29Å; L511-L531 HydrophobicContact CB-CD1 4.02Å; L511-L531 HydrophobicContact CD2-CD1 3.94Å; L511-L531 HydrophobicContact CG-CD1 3.96Å; L511-L531 WeakPolarHBondContact O-CA 3.41Å; L511-W532 PolarHBondContact O-N 3.37Å
512	N	94.4	Very high	91.8	Very high	15 Å²	15	46 Å²	46	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.6	178.1	-171.3	3.1	0	0	0	111	L487 D488 V489 S490 R514 W532	L487-N512 PolarHBondContact O-N 2.96Å; D488-N512 HydrophobicContact CB-CB 4.27Å; D488-N512 PolarHBondContact OD1-ND2 3.29Å; D488-N512 PolarHBondContact OD2-ND2 3.06Å; V489-N512 CarbonylContact C-O 3.44Å; V489-N512 WeakPolarHBondContact CG2-O 3.3Å; V489-N512 PolarHBondContact N-O 2.77Å; S490-N512 WeakPolarHBondContact CB-OD1 3.33Å; S490-N512 PolarHBondContact N-O 3.34Å; S490-N512 PolarHBondContact OG-ND2 2.99Å; N512-R514 WeakPolarHBondContact OD1-CB 3.26Å; N512-R514 WeakPolarHBondContact OD1-CD 3.35Å; N512-R514 WeakPolarHBondContact OD1-CG 3.32Å; N512-R514 PolarHBondContact OD1-N 2.79Å; N512-W532 HydrophobicContact CB-CE3 3.84Å; N512-W532 WeakPolarHBondContact OD1-CB 3.31Å
513	L	95.6	Very high	91.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.			trans	-112.7	10.7	179.5	-58.7	178.8	0	0	0	112.7	V489 L497 L511 N516 L518 F521 L531 W532 L533 N536	V489-L513 HydrophobicContact CG2-CD2 3.4Å; L497-L513 HydrophobicContact CD1-CD1 3.77Å; L497-L513 HydrophobicContact CD1-CD2 3.52Å; L497-L513 HydrophobicContact CD1-CG 4.31Å; L511-L513 HydrophobicContact CD1-CD2 3.84Å; L511-L513 HydrophobicContact CD1-CG 4.25Å; L511-L513 HydrophobicContact CD2-CD1 4.08Å; L511-L513 HydrophobicContact CD2-CD2 4.36Å; L511-L513 HydrophobicContact CD2-CG 4.21Å; L511-L513 HydrophobicContact CG-CD1 4.35Å; L511-L513 HydrophobicContact CG-CD2 4.08Å; L511-L513 HydrophobicContact CG-CG 3.93Å; L513-N516 PolarHBondContact O-ND2 3.1Å; L513-N516 VanDerWaalsContact O-ND2 3.14Å; L513-L518 HydrophobicContact CB-CD1 4.08Å; L513-L518 HydrophobicContact CD1-CD1 3.99Å; L513-L518 HydrophobicContact CG-CD1 4.44Å; L513-F521 HydrophobicContact CD1-CD2 3.88Å; L513-F521 HydrophobicContact CD1-CE1 4.43Å; L513-F521 HydrophobicContact CD1-CE2 3.68Å; L513-F521 HydrophobicContact CD1-CG 4.34Å; L513-F521 HydrophobicContact CD1-CZ 3.98Å; L513-L531 HydrophobicContact CD1-CD1 4.25Å; L513-W532 WeakPolarHBondContact CA-O 3.45Å; L513-W532 WeakPolarHBondContact CB-O 3.35Å; L513-W532 PolarHBondContact N-O 3.25Å; L513-L533 HydrophobicContact CB-CD2 4.43Å; L513-L533 HydrophobicContact CD1-CD2 4Å; L513-N536 PolarHBondContact O-ND2 3.02Å
514	R	94.8	Very high	91.1	Very high	26 Å²	26	48.2 Å²	48.2	10%	0.098	25%	0.246	C	C	.	.			trans	-57.2	149.3	-174	-63.9	175.9	161	-178.5	-14.2	111.8	S490 H491 N512 N516 W532 E534 T577	S490-R514 CarbonylContact C-O 3.54Å; S490-R514 WeakPolarHBondContact CA-O 3.47Å; S490-R514 VanDerWaalsContact CB-O 3.28Å; S490-R514 WeakPolarHBondContact CB-O 3.22Å; H491-R514 PolarHBondContact N-O 3.39Å; N512-R514 WeakPolarHBondContact OD1-CB 3.26Å; N512-R514 WeakPolarHBondContact OD1-CD 3.35Å; N512-R514 WeakPolarHBondContact OD1-CG 3.32Å; N512-R514 PolarHBondContact OD1-N 2.79Å; R514-N516 PolarHBondContact O-N 3.49Å; R514-N516 PolarHBondContact O-ND2 3.28Å; R514-W532 HydrophobicContact CG-CB 3.55Å; R514-W532 VanDerWaalsContact NE-CD1 3.28Å; R514-E534 CarbonylContact C-O 3.56Å; R514-E534 WeakPolarHBondContact CA-O 3.5Å; R514-E534 HydrophobicContact CB-CG 4.15Å; R514-E534 WeakPolarHBondContact CD-OE1 3.28Å; R514-E534 HydrophobicContact CG-CG 3.79Å; R514-E534 IonicContact CZ-OE1 3.8Å; R514-E534 IonicContact NE-OE1 3.82Å; R514-E534 PolarHBondContact NE-OE1 3.09Å; R514-E534 IonicContact NH1-OE1 3.74Å; R514-E534 PolarHBondContact NH1-OE1 3.13Å; R514-E534 IonicContact NH2-OE1 2.69Å; R514-E534 PolarHBondContact NH2-OE1 3.47Å; R514-T577 PolarHBondContact NH1-OG1 2.96Å; R514-T577 PolarHBondContact NH2-OG1 2.99Å
515	N	96.1	Very high	90.2	Very high	59 Å²	59	47.2 Å²	47.2	32%	0.316	24%	0.239	S	C	.	.	S	Bend	trans	52.4	59.8	171.7	-62.4	-41.7	0	0	0	112.2	H491 N492 E534 G535	H491-N515 WeakPolarHBondContact CA-O 3.37Å; H491-N515 PolarHBondContact CE1-ND2 3.19Å; H491-N515 PolarHBondContact N-O 3.25Å; H491-N515 PolarHBondContact NE2-ND2 3.11Å; N492-N515 PolarHBondContact N-O 2.64Å; N515-E534 PolarHBondContact N-O 3.33Å; N515-G535 WeakPolarHBondContact CA-O 3.48Å; N515-G535 WeakPolarHBondContact OD1-CA 3.05Å
516	N	98.3	Very high	89.1	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.053	28%	0.282	C	S	.	.	S	Bend	trans	-124.9	-170.7	172.9	-88.4	-75.2	0	0	0	109.6	V489 N492 R493 L494 L513 R514 L518 N536 P537	V489-N516 PolarHBondContact O-ND2 3.08Å; N492-N516 WeakPolarHBondContact CA-OD1 3.4Å; N492-N516 WeakPolarHBondContact CB-OD1 3.21Å; R493-N516 PolarHBondContact N-OD1 3.23Å; L494-N516 HydrophobicContact CB-CB 4.3Å; L494-N516 VanDerWaalsContact CB-OD1 3.31Å; L494-N516 WeakPolarHBondContact CB-OD1 3.37Å; L494-N516 WeakPolarHBondContact CG-OD1 3.31Å; L494-N516 PolarHBondContact N-OD1 3.26Å; L513-N516 PolarHBondContact O-ND2 3.1Å; L513-N516 VanDerWaalsContact O-ND2 3.14Å; R514-N516 PolarHBondContact O-N 3.49Å; R514-N516 PolarHBondContact O-ND2 3.28Å; N516-L518 HydrophobicContact CB-CD1 4.48Å; N516-L518 HydrophobicContact CB-CG 4.18Å; N516-N536 VanDerWaalsContact CA-OD1 3.27Å; N516-N536 WeakPolarHBondContact CA-OD1 3.36Å; N516-N536 WeakPolarHBondContact CB-OD1 3.34Å; N516-N536 PolarHBondContact N-OD1 3.22Å; N516-N536 PolarHBondContact O-OD1 3.15Å; N516-P537 WeakPolarHBondContact O-CD 3.41Å
517	S	97.6	Very high	89	Confident	47 Å²	47	52.5 Å²	52.5	33%	0.329	27%	0.268	S	S	.	.			trans	-106.6	22.7	179	-59	0	0	0	0	112.4	L494 R519	L494-S517 CarbonylContact O-C 3.43Å; L494-S517 VanDerWaalsContact O-CA 3.24Å; L494-S517 WeakPolarHBondContact O-CA 3.09Å; L494-S517 WeakPolarHBondContact O-CB 3.28Å; L494-S517 PolarHBondContact O-N 3.21Å; S517-R519 PolarHBondContact O-N 3.39Å
518	L	96.6	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.			trans	-69.3	125.8	-173.7	-61.9	170.8	0	0	0	110.8	L494 L497 L513 N516 N536 P537 W538	L494-L518 HydrophobicContact CB-CD2 4.22Å; L494-L518 PolarHBondContact O-N 3.29Å; L494-L518 VanDerWaalsContact O-N 3.08Å; L497-L518 HydrophobicContact CD1-CD1 4.31Å; L497-L518 HydrophobicContact CG-CD2 4.19Å; L513-L518 HydrophobicContact CB-CD1 4.08Å; L513-L518 HydrophobicContact CD1-CD1 3.99Å; L513-L518 HydrophobicContact CG-CD1 4.44Å; N516-L518 HydrophobicContact CB-CD1 4.48Å; N516-L518 HydrophobicContact CB-CG 4.18Å; L518-N536 HydrophobicContact CB-CB 4.31Å; L518-N536 WeakPolarHBondContact CB-OD1 3.36Å; L518-N536 PolarHBondContact N-OD1 2.95Å; L518-N536 VanDerWaalsContact N-OD1 3.09Å; L518-P537 CarbonylContact O-C 3.53Å; L518-P537 WeakPolarHBondContact O-CD 3.42Å; L518-W538 HydrophobicContact CB-CH2 3.76Å; L518-W538 HydrophobicContact CB-CZ3 3.73Å; L518-W538 HydrophobicContact CD1-CH2 3.96Å
519	R	95.6	Very high	88.7	Confident	160 Å²	160	49.7 Å²	49.7	60%	0.604	26%	0.261	S	S	*	.	S	Bend	trans	-92.3	-35.1	170.9	-66.1	179.8	178.8	-115.7	1.6	112	S517 D539	S517-R519 PolarHBondContact O-N 3.39Å; R519-D539 HydrophobicContact CB-CB 4.31Å; R519-D539 PolarHBondContact O-N 3.25Å
520	T	94	Very high	88.7	Confident	55 Å²	55	47.3 Å²	47.3	34%	0.337	25%	0.252	S	S	.	.			trans	-134.9	151.8	-179.1	67.7	0	0	0	0	110.3	P543	T520-P543 HydrophobicContact CG2-CB 3.71Å; T520-P543 HydrophobicContact CG2-CG 4.48Å
521	F	93.3	Very high	88.7	Confident	8 Å²	8	44.5 Å²	44.5	4%	0.035	24%	0.242	C	C	.	.			trans	-152.6	132.4	174.6	176	-106.3	0	0	0	109.2	L497 L502 L511 L513 P523 L531 L533 W538 L547	L497-F521 HydrophobicContact CD1-CD2 4.09Å; L497-F521 HydrophobicContact CD1-CE2 4Å; L502-F521 HydrophobicContact CD1-CE2 3.75Å; L502-F521 HydrophobicContact CD1-CZ 4.07Å; L511-F521 HydrophobicContact CD2-CZ 4.14Å; L513-F521 HydrophobicContact CD1-CD2 3.88Å; L513-F521 HydrophobicContact CD1-CE1 4.43Å; L513-F521 HydrophobicContact CD1-CE2 3.68Å; L513-F521 HydrophobicContact CD1-CG 4.34Å; L513-F521 HydrophobicContact CD1-CZ 3.98Å; F521-P523 HydrophobicContact CE1-CB 4.05Å; F521-L531 HydrophobicContact CE1-CD1 4.43Å; F521-L531 HydrophobicContact CE1-CD2 3.85Å; F521-L533 HydrophobicContact CD1-CD2 4.24Å; F521-W538 HydrophobicContact CB-CH2 3.76Å; F521-W538 HydrophobicContact CB-CZ3 3.58Å; F521-L547 HydrophobicContact CB-CD2 4.34Å; F521-L547 HydrophobicContact CD1-CD1 3.86Å; F521-L547 HydrophobicContact CD1-CD2 4.28Å; F521-L547 HydrophobicContact CE1-CD1 4.34Å
522	T	89.6	Confident	88.7	Confident	72 Å²	72	44.8 Å²	44.8	44%	0.442	24%	0.242	S	C	.	.			trans	-113	114.7	174.2	-54.9	0	0	0	0	108.1	Q524	T522-Q524 VanDerWaalsContact O-CG 3.31Å; T522-Q524 WeakPolarHBondContact O-CG 3.35Å; T522-Q524 PolarHBondContact O-N 3.05Å
523	P	83	Confident	88.7	Confident	25 Å²	25	44 Å²	44	16%	0.162	24%	0.239	C	C	.	.			trans	-65.6	125.1	176.5	20.7	-24.2	0	0	0	110	F521 L547 F550	F521-P523 HydrophobicContact CE1-CB 4.05Å; P523-L547 HydrophobicContact CG-CD1 4.33Å; P523-F550 HydrophobicContact CB-CD1 4.08Å; P523-F550 HydrophobicContact CB-CD2 4.19Å; P523-F550 HydrophobicContact CB-CE1 4.3Å; P523-F550 HydrophobicContact CB-CE2 4.4Å; P523-F550 HydrophobicContact CB-CG 4.03Å; P523-F550 HydrophobicContact CB-CZ 4.45Å; P523-F550 HydrophobicContact CG-CB 3.65Å; P523-F550 HydrophobicContact CG-CD1 3.92Å; P523-F550 HydrophobicContact CG-CD2 4.02Å; P523-F550 HydrophobicContact CG-CG 3.58Å
524	Q	70.4	Confident	88.7	Confident	90 Å²	90	46 Å²	46	42%	0.421	25%	0.248	S	C	.	.			trans	-111.3	-18.8	-167.7	-72	-113.2	-25.7	0	0	116.2	G499 L502 T522	G499-Q524 PolarHBondContact O-OE1 2.96Å; L502-Q524 HydrophobicContact CB-CB 4.47Å; T522-Q524 VanDerWaalsContact O-CG 3.31Å; T522-Q524 WeakPolarHBondContact O-CG 3.35Å; T522-Q524 PolarHBondContact O-N 3.05Å
525	P	63.8	Low	88.7	Confident	20 Å²	20	47 Å²	47	13%	0.13	27%	0.266	C	S	.	.			trans	-117.5	140.9	167.2	22.8	-6.4	0	0	0	114.6	G527	P525-G527 PolarHBondContact O-N 3.29Å; P525-G527 VanDerWaalsContact O-N 3.12Å
526	P	62.8	Low	88.7	Confident	140 Å²	140	44.6 Å²	44.6	91%	0.909	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	4.9	-178.7	29.8	-35	0	0	0	115
527	G	80.1	Confident	88.7	Confident	43 Å²	43	46.5 Å²	46.5	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	8.5	-173.1	0	0	0	0	0	116.2	P525 E529	P525-G527 PolarHBondContact O-N 3.29Å; P525-G527 VanDerWaalsContact O-N 3.12Å; G527-E529 PolarHBondContact O-N 2.82Å
528	L	88.1	Confident	88.7	Confident	13 Å²	13	44.3 Å²	44.3	7%	0.068	25%	0.25	C	S	.	.			trans	-66.8	120.4	179.8	-75.3	171.9	0	0	0	111.1	L508 L511 L531 A557	L508-L528 HydrophobicContact CD2-CD2 4.23Å; L508-L528 HydrophobicContact CG-CD2 4.02Å; L511-L528 HydrophobicContact CB-CD2 4.06Å; L528-L531 HydrophobicContact CD1-CD2 4.5Å; L528-A557 WeakPolarHBondContact O-CB 3.26Å
529	E	90.8	Very high	88.6	Confident	76 Å²	76	46 Å²	46	36%	0.355	26%	0.26	S	S	.	.	S	Bend	trans	-88.6	-31.3	175.2	-67.7	179.2	-168.1	0	0	111.8	R509 Y510 G527 A557	R509-E529 HydrophobicContact CB-CB 4.31Å; R509-E529 HydrophobicContact CB-CG 4.15Å; R509-E529 VanDerWaalsContact CD-OE1 3.27Å; R509-E529 WeakPolarHBondContact CD-OE1 3.27Å; R509-E529 HydrophobicContact CG-CG 4.19Å; R509-E529 IonicContact CZ-OE1 2.98Å; R509-E529 IonicContact NE-OE1 2.95Å; R509-E529 PolarHBondContact NE-OE1 3.02Å; R509-E529 IonicContact NH1-OE1 3.99Å; R509-E529 PolarHBondContact NH1-OE1 3.36Å; R509-E529 PolarHBondContact O-N 3.33Å; Y510-E529 WeakPolarHBondContact CE2-OE2 3.49Å; Y510-E529 VanDerWaalsContact CZ-OE2 3.28Å; Y510-E529 PolarHBondContact OH-OE2 3.07Å; G527-E529 PolarHBondContact O-N 2.82Å; E529-A557 WeakPolarHBondContact O-CA 3.45Å
530	R	91.5	Very high	88.7	Confident	74 Å²	74	38.4 Å²	38.4	28%	0.279	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	130.4	176.7	-69	-63.5	-124.9	-165.3	2	111.7	R509 Y510 L511 W532 S556 A557	R509-R530 PolarHBondContact O-N 2.89Å; Y510-R530 WeakPolarHBondContact CA-O 3.09Å; Y510-R530 HydrophobicContact CD1-CB 3.59Å; Y510-R530 HydrophobicContact CD1-CG 3.76Å; Y510-R530 HydrophobicContact CE1-CB 3.97Å; Y510-R530 HydrophobicContact CE1-CG 3.6Å; Y510-R530 HydrophobicContact CG-CB 4.49Å; L511-R530 PolarHBondContact N-O 3.29Å; R530-W532 HydrophobicContact CB-CE3 4.34Å; R530-W532 HydrophobicContact CB-CH2 3.58Å; R530-W532 HydrophobicContact CB-CZ2 3.97Å; R530-W532 HydrophobicContact CB-CZ3 3.77Å; R530-W532 HydrophobicContact CG-CH2 4.09Å; R530-W532 HydrophobicContact CG-CZ2 4.24Å; R530-S556 PolarHBondContact NH1-O 2.99Å; R530-A557 CarbonylContact C-O 3.56Å; R530-A557 WeakPolarHBondContact CA-O 3.44Å
531	L	93	Very high	88.7	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.8	176.1	175.2	62.1	0	0	0	110.5	L511 L513 F521 L528 L533 L547 F550 A557 V558 N579	L511-L531 HydrophobicContact CB-CD1 4.02Å; L511-L531 HydrophobicContact CD2-CD1 3.94Å; L511-L531 HydrophobicContact CG-CD1 3.96Å; L511-L531 WeakPolarHBondContact O-CA 3.41Å; L513-L531 HydrophobicContact CD1-CD1 4.25Å; F521-L531 HydrophobicContact CE1-CD1 4.43Å; F521-L531 HydrophobicContact CE1-CD2 3.85Å; L528-L531 HydrophobicContact CD1-CD2 4.5Å; L531-L533 HydrophobicContact CD1-CD2 4.03Å; L531-L533 HydrophobicContact CD1-CG 4.26Å; L531-L533 HydrophobicContact CD2-CD1 3.84Å; L531-L533 HydrophobicContact CD2-CD2 4.23Å; L531-L533 HydrophobicContact CD2-CG 4.2Å; L531-L533 HydrophobicContact CG-CD1 3.94Å; L531-L533 HydrophobicContact CG-CD2 4.07Å; L531-L533 HydrophobicContact CG-CG 3.85Å; L531-L547 HydrophobicContact CD2-CD1 4.47Å; L531-F550 HydrophobicContact CD2-CE1 4.38Å; L531-A557 PolarHBondContact N-O 3.23Å; L531-V558 HydrophobicContact CB-CG2 4.22Å; L531-V558 HydrophobicContact CD2-CG2 4.14Å; L531-N579 PolarHBondContact O-ND2 3.31Å
532	W	93.7	Very high	88.7	Confident	6 Å²	6	40 Å²	40	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.8	179.2	-63	-82.3	0	0	0	112	W486 Y510 L511 N512 L513 R514 R530 V562 I565 N579	W486-W532 AromaticContact CH2-CH2 3.99Å; W486-W532 HydrophobicContact CH2-CH2 3.99Å; W486-W532 HydrophobicContact CH2-CZ3 4.42Å; W486-W532 HydrophobicContact CZ2-CH2 4.46Å; Y510-W532 AromaticContact CD1-CH2 3.94Å; Y510-W532 HydrophobicContact CD1-CH2 3.94Å; Y510-W532 HydrophobicContact CD1-CZ3 4.24Å; L511-W532 PolarHBondContact O-N 3.37Å; N512-W532 HydrophobicContact CB-CE3 3.84Å; N512-W532 WeakPolarHBondContact OD1-CB 3.31Å; L513-W532 WeakPolarHBondContact CA-O 3.45Å; L513-W532 WeakPolarHBondContact CB-O 3.35Å; L513-W532 PolarHBondContact N-O 3.25Å; R514-W532 HydrophobicContact CG-CB 3.55Å; R514-W532 VanDerWaalsContact NE-CD1 3.28Å; R530-W532 HydrophobicContact CB-CE3 4.34Å; R530-W532 HydrophobicContact CB-CH2 3.58Å; R530-W532 HydrophobicContact CB-CZ2 3.97Å; R530-W532 HydrophobicContact CB-CZ3 3.77Å; R530-W532 HydrophobicContact CG-CH2 4.09Å; R530-W532 HydrophobicContact CG-CZ2 4.24Å; W532-V562 HydrophobicContact CZ2-CG1 4.25Å; W532-I565 HydrophobicContact CH2-CD1 3.59Å; W532-I565 HydrophobicContact CZ2-CD1 3.49Å; W532-I565 VanDerWaalsContact CZ2-CD1 3.49Å; W532-N579 WeakPolarHBondContact CA-OD1 3.25Å
533	L	94.8	Very high	88.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.245	C	C	.	.			trans	-133.4	-6.2	-165.2	-66	164.2	0	0	0	113.9	L513 F521 L531 N536 W538 L547 V558 N579 I581	L513-L533 HydrophobicContact CB-CD2 4.43Å; L513-L533 HydrophobicContact CD1-CD2 4Å; F521-L533 HydrophobicContact CD1-CD2 4.24Å; L531-L533 HydrophobicContact CD1-CD2 4.03Å; L531-L533 HydrophobicContact CD1-CG 4.26Å; L531-L533 HydrophobicContact CD2-CD1 3.84Å; L531-L533 HydrophobicContact CD2-CD2 4.23Å; L531-L533 HydrophobicContact CD2-CG 4.2Å; L531-L533 HydrophobicContact CG-CD1 3.94Å; L531-L533 HydrophobicContact CG-CD2 4.07Å; L531-L533 HydrophobicContact CG-CG 3.85Å; L533-N536 PolarHBondContact O-ND2 3.44Å; L533-W538 HydrophobicContact CB-CZ2 3.88Å; L533-W538 HydrophobicContact CD2-CH2 3.87Å; L533-W538 HydrophobicContact CD2-CZ2 3.64Å; L533-W538 HydrophobicContact CG-CZ2 4.31Å; L533-W538 PolarHBondContact O-NE1 2.92Å; L533-L547 HydrophobicContact CD1-CD1 3.96Å; L533-L547 HydrophobicContact CD1-CD2 4.21Å; L533-V558 HydrophobicContact CD1-CG1 3.97Å; L533-N579 PolarHBondContact N-OD1 3.01Å; L533-I581 HydrophobicContact CB-CG1 4.33Å; L533-I581 HydrophobicContact CD1-CD1 3.81Å; L533-I581 HydrophobicContact CD1-CG1 4.13Å
534	E	94.1	Very high	89.4	Confident	41 Å²	41	38.6 Å²	38.6	19%	0.192	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	150.6	-175.3	83.5	-174.1	120.3	0	0	112.9	R514 N515 T577 Y578 N579 N580	R514-E534 CarbonylContact C-O 3.56Å; R514-E534 WeakPolarHBondContact CA-O 3.5Å; R514-E534 HydrophobicContact CB-CG 4.15Å; R514-E534 WeakPolarHBondContact CD-OE1 3.28Å; R514-E534 HydrophobicContact CG-CG 3.79Å; R514-E534 IonicContact CZ-OE1 3.8Å; R514-E534 IonicContact NE-OE1 3.82Å; R514-E534 PolarHBondContact NE-OE1 3.09Å; R514-E534 IonicContact NH1-OE1 3.74Å; R514-E534 PolarHBondContact NH1-OE1 3.13Å; R514-E534 IonicContact NH2-OE1 2.69Å; R514-E534 PolarHBondContact NH2-OE1 3.47Å; N515-E534 PolarHBondContact N-O 3.33Å; E534-T577 PolarHBondContact OE1-OG1 3.2Å; E534-Y578 WeakPolarHBondContact CB-O 3.44Å; E534-N579 PolarHBondContact N-OD1 2.89Å; E534-N580 WeakPolarHBondContact CA-O 3.48Å
535	G	94.7	Very high	90.4	Very high	46 Å²	46	36.5 Å²	36.5	47%	0.474	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	27.1	173.6	0	0	0	0	0	115.6	N515	N515-G535 WeakPolarHBondContact CA-O 3.48Å; N515-G535 WeakPolarHBondContact OD1-CA 3.05Å
536	N	97.4	Very high	91.8	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.053	24%	0.238	C	C	.	.			trans	-110.3	147.2	171.6	-77.2	-82.8	0	0	0	111	L513 N516 L518 L533 W538	L513-N536 PolarHBondContact O-ND2 3.02Å; N516-N536 VanDerWaalsContact CA-OD1 3.27Å; N516-N536 WeakPolarHBondContact CA-OD1 3.36Å; N516-N536 WeakPolarHBondContact CB-OD1 3.34Å; N516-N536 PolarHBondContact N-OD1 3.22Å; N516-N536 PolarHBondContact O-OD1 3.15Å; L518-N536 HydrophobicContact CB-CB 4.31Å; L518-N536 WeakPolarHBondContact CB-OD1 3.36Å; L518-N536 PolarHBondContact N-OD1 2.95Å; L518-N536 VanDerWaalsContact N-OD1 3.09Å; L533-N536 PolarHBondContact O-ND2 3.44Å; N536-W538 VanDerWaalsContact C-N 3.26Å; N536-W538 HydrophobicContact CB-CD2 3.99Å; N536-W538 VanDerWaalsContact CB-CE2 3.42Å; N536-W538 HydrophobicContact CB-CG 4.39Å; N536-W538 HydrophobicContact CB-CH2 4.23Å; N536-W538 HydrophobicContact CB-CZ2 3.55Å; N536-W538 PolarHBondContact O-N 3.41Å
537	P	97.1	Very high	93.3	Very high	50 Å²	50	31.1 Å²	31.1	33%	0.325	20%	0.195	S	C	.	.			trans	-81	66.5	178.7	35.2	-37.3	0	0	0	112	N516 L518 D539 A584	N516-P537 WeakPolarHBondContact O-CD 3.41Å; L518-P537 CarbonylContact O-C 3.53Å; L518-P537 WeakPolarHBondContact O-CD 3.42Å; P537-D539 PolarHBondContact O-N 3.46Å; P537-A584 HydrophobicContact CB-CB 4.01Å
538	W	97.4	Very high	94	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	129.4	-173.6	-64.8	115.1	0	0	0	113.5	L518 F521 L533 N536 C540 L544 L547 I581 A584 S585	L518-W538 HydrophobicContact CB-CH2 3.76Å; L518-W538 HydrophobicContact CB-CZ3 3.73Å; L518-W538 HydrophobicContact CD1-CH2 3.96Å; F521-W538 HydrophobicContact CB-CH2 3.76Å; F521-W538 HydrophobicContact CB-CZ3 3.58Å; L533-W538 HydrophobicContact CB-CZ2 3.88Å; L533-W538 HydrophobicContact CD2-CH2 3.87Å; L533-W538 HydrophobicContact CD2-CZ2 3.64Å; L533-W538 HydrophobicContact CG-CZ2 4.31Å; L533-W538 PolarHBondContact O-NE1 2.92Å; N536-W538 VanDerWaalsContact C-N 3.26Å; N536-W538 HydrophobicContact CB-CD2 3.99Å; N536-W538 VanDerWaalsContact CB-CE2 3.42Å; N536-W538 HydrophobicContact CB-CG 4.39Å; N536-W538 HydrophobicContact CB-CH2 4.23Å; N536-W538 HydrophobicContact CB-CZ2 3.55Å; N536-W538 PolarHBondContact O-N 3.41Å; W538-C540 PolarHBondContact O-N 3.07Å; W538-L544 HydrophobicContact CB-CD2 3.74Å; W538-L544 HydrophobicContact CD2-CD2 4.42Å; W538-L544 HydrophobicContact CE3-CD1 3.69Å; W538-L544 HydrophobicContact CE3-CD2 4.27Å; W538-L544 HydrophobicContact CG-CD2 4.26Å; W538-L544 HydrophobicContact CZ3-CD1 4.14Å; W538-L547 HydrophobicContact CH2-CD2 4.49Å; W538-L547 HydrophobicContact CZ3-CD2 4.41Å; W538-I581 HydrophobicContact CD2-CG2 4.21Å; W538-I581 HydrophobicContact CG-CG2 3.86Å; W538-A584 PolarHBondContact O-N 3.13Å; W538-S585 PolarHBondContact O-N 3.46Å
539	D	96.4	Very high	94.2	Very high	36 Å²	36	30.7 Å²	30.7	19%	0.193	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	97.4	168.6	-179.9	33.6	0	0	0	110.1	R519 P537 S541 L544 S585	R519-D539 HydrophobicContact CB-CB 4.31Å; R519-D539 PolarHBondContact O-N 3.25Å; P537-D539 PolarHBondContact O-N 3.46Å; D539-S541 PolarHBondContact O-N 3.15Å; D539-S541 PolarHBondContact OD2-OG 2.84Å; D539-L544 VanDerWaalsContact O-CB 3.23Å; D539-L544 WeakPolarHBondContact O-CB 3.44Å; D539-S585 WeakPolarHBondContact CA-OG 2.97Å; D539-S585 VanDerWaalsContact CB-OG 3.31Å; D539-S585 WeakPolarHBondContact CB-OG 3.24Å; D539-S585 VanDerWaalsContact CG-OG 3.25Å; D539-S585 PolarHBondContact OD1-OG 3.48Å
540	C	96.5	Very high	94.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.172	C	C	.	.			trans	-77.7	36.7	-178	-64.9	0	0	0	0	113.3	W538 C583 S585 V589 L594 L597 H601	W538-C540 PolarHBondContact O-N 3.07Å; C540-C583 HydrophobicContact CB-CB 3.75Å; C540-C583 WeakPolarHBondContact CB-SG 3.3Å; C540-C583 WeakPolarHBondContact SG-CA 3.3Å; C540-C583 WeakPolarHBondContact SG-CB 3.5Å; C540-C583 CovalentContact SG-SG 2.02Å; C540-C583 PolarHBondContact SG-SG 3.36Å; C540-S585 WeakPolarHBondContact CB-O 3.21Å; C540-S585 PolarHBondContact N-O 3.29Å; C540-V589 HydrophobicContact CB-CG2 4.07Å; C540-L594 HydrophobicContact CB-CD1 4.15Å; C540-L597 HydrophobicContact CB-CD1 3.91Å; C540-H601 PolarHBondContact O-NE2 3.06Å
541	S	94.5	Very high	94.4	Very high	37 Å²	37	25.2 Å²	25.2	26%	0.259	16%	0.159	S	C	.	.	S	Bend	trans	-91.4	-169.3	168.8	74.7	0	0	0	0	110.7	D539 P543 L544	D539-S541 PolarHBondContact O-N 3.15Å; D539-S541 PolarHBondContact OD2-OG 2.84Å; S541-P543 VanDerWaalsContact C-N 3.33Å; S541-P543 WeakPolarHBondContact O-CD 3.29Å; S541-P543 VanDerWaalsContact O-N 3.15Å; S541-P543 WeakPolarHBondContact OG-CD 3.38Å; S541-L544 PolarHBondContact O-N 3.14Å; S541-L544 VanDerWaalsContact O-N 3.1Å
542	C	93.5	Very high	94.5	Very high	60 Å²	60	29.1 Å²	29.1	41%	0.405	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-48.9	-38.9	-176.8	-65.5	0	0	0	0	116.4	L544 K545 C605	C542-L544 PolarHBondContact O-N 2.99Å; C542-L544 VanDerWaalsContact O-N 3.13Å; C542-K545 WeakPolarHBondContact O-CB 3.34Å; C542-K545 PolarHBondContact O-N 3.39Å; C542-K545 VanDerWaalsContact O-N 3.17Å; C542-C605 WeakPolarHBondContact CA-SG 3.42Å; C542-C605 HydrophobicContact CB-CB 3.73Å; C542-C605 WeakPolarHBondContact CB-SG 3.21Å; C542-C605 WeakPolarHBondContact SG-CB 3.18Å; C542-C605 CovalentContact SG-SG 2.03Å; C542-C605 PolarHBondContact SG-SG 2.88Å
543	P	91.6	Very high	94.5	Very high	68 Å²	68	35.8 Å²	35.8	44%	0.442	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-60.6	-23.4	-179.7	-25	37.1	0	0	0	114.7	T520 S541	T520-P543 HydrophobicContact CG2-CB 3.71Å; T520-P543 HydrophobicContact CG2-CG 4.48Å; S541-P543 VanDerWaalsContact C-N 3.33Å; S541-P543 WeakPolarHBondContact O-CD 3.29Å; S541-P543 VanDerWaalsContact O-N 3.15Å; S541-P543 WeakPolarHBondContact OG-CD 3.38Å
544	L	94.3	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-97.2	-4.1	-177.8	-153.3	71	0	0	0	113.4	W538 D539 S541 C542 A546 L547 R548 L594	W538-L544 HydrophobicContact CB-CD2 3.74Å; W538-L544 HydrophobicContact CD2-CD2 4.42Å; W538-L544 HydrophobicContact CE3-CD1 3.69Å; W538-L544 HydrophobicContact CE3-CD2 4.27Å; W538-L544 HydrophobicContact CG-CD2 4.26Å; W538-L544 HydrophobicContact CZ3-CD1 4.14Å; D539-L544 VanDerWaalsContact O-CB 3.23Å; D539-L544 WeakPolarHBondContact O-CB 3.44Å; S541-L544 PolarHBondContact O-N 3.14Å; S541-L544 VanDerWaalsContact O-N 3.1Å; C542-L544 PolarHBondContact O-N 2.99Å; C542-L544 VanDerWaalsContact O-N 3.13Å; L544-A546 PolarHBondContact O-N 3.24Å; L544-L547 HydrophobicContact CD1-CB 4.17Å; L544-L547 HydrophobicContact CD1-CD2 3.75Å; L544-L547 HydrophobicContact CG-CB 4.24Å; L544-L547 HydrophobicContact CG-CD2 4.2Å; L544-L547 WeakPolarHBondContact O-CB 3.41Å; L544-L547 PolarHBondContact O-N 2.87Å; L544-R548 PolarHBondContact O-N 3.11Å; L544-R548 VanDerWaalsContact O-N 3.12Å; L544-L594 HydrophobicContact CD2-CD1 4.07Å; L544-L594 HydrophobicContact CD2-CD2 3.68Å; L544-L594 HydrophobicContact CD2-CG 4.42Å; L544-L594 HydrophobicContact CG-CD1 4.48Å; L544-L594 HydrophobicContact CG-CD2 3.79Å
545	K	93.4	Very high	94.2	Very high	46 Å²	46	40.6 Å²	40.6	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-54	-41.7	177.4	-169.8	-173.4	-170.4	-64.9	0	111.7	C542 L547 R548 D549 E599 F602 C605	C542-K545 WeakPolarHBondContact O-CB 3.34Å; C542-K545 PolarHBondContact O-N 3.39Å; C542-K545 VanDerWaalsContact O-N 3.17Å; K545-L547 VanDerWaalsContact C-N 3.3Å; K545-L547 PolarHBondContact O-N 3.31Å; K545-R548 WeakPolarHBondContact O-CB 3.16Å; K545-R548 PolarHBondContact O-N 3.24Å; K545-R548 VanDerWaalsContact O-N 3.16Å; K545-D549 IonicContact NZ-OD1 3.09Å; K545-D549 IonicContact NZ-OD2 2.67Å; K545-D549 PolarHBondContact NZ-OD2 3Å; K545-D549 VanDerWaalsContact O-CG 3.28Å; K545-D549 PolarHBondContact O-N 3.44Å; K545-E599 IonicContact NZ-OE2 2.8Å; K545-F602 HydrophobicContact CB-CD1 3.66Å; K545-F602 HydrophobicContact CB-CE1 4.01Å; K545-F602 HydrophobicContact CB-CG 4.29Å; K545-F602 HydrophobicContact CD-CB 3.83Å; K545-F602 HydrophobicContact CD-CD1 4.33Å; K545-F602 HydrophobicContact CD-CG 4.25Å; K545-F602 HydrophobicContact CG-CB 4.05Å; K545-F602 HydrophobicContact CG-CD1 3.81Å; K545-F602 HydrophobicContact CG-CE1 4.44Å; K545-F602 HydrophobicContact CG-CG 3.91Å; K545-C605 HydrophobicContact CD-CB 4.19Å
546	A	92	Very high	94	Very high	46 Å²	46	42.7 Å²	42.7	38%	0.38	25%	0.25	S	S	.	.	H	α-helix	trans	-60.6	-38.4	179.7	0	0	0	0	0	112.7	L544 F550	L544-A546 PolarHBondContact O-N 3.24Å; A546-F550 VanDerWaalsContact O-CB 3.31Å; A546-F550 WeakPolarHBondContact O-CB 3.47Å; A546-F550 PolarHBondContact O-N 3.33Å
547	L	93.8	Very high	93.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-41.2	175.8	179.5	58.2	0	0	0	111.7	F521 P523 L531 L533 W538 L544 K545 F550 A551 I581 L594	F521-L547 HydrophobicContact CB-CD2 4.34Å; F521-L547 HydrophobicContact CD1-CD1 3.86Å; F521-L547 HydrophobicContact CD1-CD2 4.28Å; F521-L547 HydrophobicContact CE1-CD1 4.34Å; P523-L547 HydrophobicContact CG-CD1 4.33Å; L531-L547 HydrophobicContact CD2-CD1 4.47Å; L533-L547 HydrophobicContact CD1-CD1 3.96Å; L533-L547 HydrophobicContact CD1-CD2 4.21Å; W538-L547 HydrophobicContact CH2-CD2 4.49Å; W538-L547 HydrophobicContact CZ3-CD2 4.41Å; L544-L547 HydrophobicContact CD1-CB 4.17Å; L544-L547 HydrophobicContact CD1-CD2 3.75Å; L544-L547 HydrophobicContact CG-CB 4.24Å; L544-L547 HydrophobicContact CG-CD2 4.2Å; L544-L547 WeakPolarHBondContact O-CB 3.41Å; L544-L547 PolarHBondContact O-N 2.87Å; K545-L547 VanDerWaalsContact C-N 3.3Å; K545-L547 PolarHBondContact O-N 3.31Å; L547-F550 PolarHBondContact O-N 3.06Å; L547-A551 WeakPolarHBondContact O-CB 3.48Å; L547-A551 PolarHBondContact O-N 3.17Å; L547-I581 HydrophobicContact CD2-CG2 4.39Å; L547-L594 HydrophobicContact CB-CD2 4.34Å; L547-L594 HydrophobicContact CD2-CD2 4.32Å; L547-L594 HydrophobicContact CG-CD2 4.21Å
548	R	94.9	Very high	93.4	Very high	10 Å²	10	40 Å²	40	4%	0.038	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-53.8	175.4	179.8	179.9	161.9	-86.4	5.5	110.8	L544 K545 F550 A551 L552 L594 L597 E599	L544-R548 PolarHBondContact O-N 3.11Å; L544-R548 VanDerWaalsContact O-N 3.12Å; K545-R548 WeakPolarHBondContact O-CB 3.16Å; K545-R548 PolarHBondContact O-N 3.24Å; K545-R548 VanDerWaalsContact O-N 3.16Å; R548-F550 VanDerWaalsContact C-N 3.29Å; R548-F550 PolarHBondContact O-N 3.45Å; R548-A551 PolarHBondContact O-N 3.17Å; R548-A551 VanDerWaalsContact O-N 3.15Å; R548-L552 HydrophobicContact CG-CD1 4.04Å; R548-L552 WeakPolarHBondContact O-CG 3.43Å; R548-L552 PolarHBondContact O-N 3.27Å; R548-L594 HydrophobicContact CB-CD1 3.92Å; R548-L594 HydrophobicContact CB-CD2 3.81Å; R548-L594 HydrophobicContact CB-CG 3.66Å; R548-L594 WeakPolarHBondContact CD-O 3.43Å; R548-L594 HydrophobicContact CG-CD1 4.34Å; R548-L594 HydrophobicContact CG-CG 4.05Å; R548-L597 PolarHBondContact NE-O 2.65Å; R548-L597 PolarHBondContact NH2-O 3.08Å; R548-E599 IonicContact CZ-OE1 3.37Å; R548-E599 VanDerWaalsContact CZ-OE1 3.27Å; R548-E599 IonicContact NH1-OE1 3.65Å; R548-E599 PolarHBondContact NH1-OE1 3.13Å; R548-E599 IonicContact NH1-OE2 3.5Å; R548-E599 IonicContact NH2-OE1 2.87Å; R548-E599 PolarHBondContact NH2-OE1 2.89Å
549	D	93.4	Very high	93.1	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.203	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-41.4	-176.1	-63.8	-10.2	0	0	0	110.2	K545 L552 Q553	K545-D549 IonicContact NZ-OD1 3.09Å; K545-D549 IonicContact NZ-OD2 2.67Å; K545-D549 PolarHBondContact NZ-OD2 3Å; K545-D549 VanDerWaalsContact O-CG 3.28Å; K545-D549 PolarHBondContact O-N 3.44Å; D549-L552 PolarHBondContact O-N 3.08Å; D549-Q553 WeakPolarHBondContact O-CB 3.45Å; D549-Q553 WeakPolarHBondContact O-CG 3.39Å; D549-Q553 PolarHBondContact O-N 3Å
550	F	93.1	Very high	92.8	Very high	32 Å²	32	43.4 Å²	43.4	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-45.9	173.5	178.9	-95.4	0	0	0	112.8	P523 L531 A546 L547 R548 Q553 N554 V558	P523-F550 HydrophobicContact CB-CD1 4.08Å; P523-F550 HydrophobicContact CB-CD2 4.19Å; P523-F550 HydrophobicContact CB-CE1 4.3Å; P523-F550 HydrophobicContact CB-CE2 4.4Å; P523-F550 HydrophobicContact CB-CG 4.03Å; P523-F550 HydrophobicContact CB-CZ 4.45Å; P523-F550 HydrophobicContact CG-CB 3.65Å; P523-F550 HydrophobicContact CG-CD1 3.92Å; P523-F550 HydrophobicContact CG-CD2 4.02Å; P523-F550 HydrophobicContact CG-CG 3.58Å; L531-F550 HydrophobicContact CD2-CE1 4.38Å; A546-F550 VanDerWaalsContact O-CB 3.31Å; A546-F550 WeakPolarHBondContact O-CB 3.47Å; A546-F550 PolarHBondContact O-N 3.33Å; L547-F550 PolarHBondContact O-N 3.06Å; R548-F550 VanDerWaalsContact C-N 3.29Å; R548-F550 PolarHBondContact O-N 3.45Å; F550-Q553 PolarHBondContact O-N 3.39Å; F550-N554 HydrophobicContact CZ-CB 4.37Å; F550-N554 WeakPolarHBondContact O-CB 3.36Å; F550-N554 PolarHBondContact O-N 2.61Å; F550-N554 PolarHBondContact O-ND2 3.46Å; F550-V558 HydrophobicContact CD1-CG2 4Å; F550-V558 HydrophobicContact CE1-CG2 3.75Å
551	A	93.5	Very high	92.2	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-67.8	-34.8	-178.4	0	0	0	0	0	112.7	L547 R548 N554 V558 I581 R595	L547-A551 WeakPolarHBondContact O-CB 3.48Å; L547-A551 PolarHBondContact O-N 3.17Å; R548-A551 PolarHBondContact O-N 3.17Å; R548-A551 VanDerWaalsContact O-N 3.15Å; A551-N554 CarbonylContact O-C 3.58Å; A551-V558 HydrophobicContact CB-CB 4.08Å; A551-V558 HydrophobicContact CB-CG1 4.16Å; A551-V558 HydrophobicContact CB-CG2 4.25Å; A551-I581 HydrophobicContact CB-CD1 4.22Å; A551-R595 HydrophobicContact CB-CG 4.08Å
552	L	93.6	Very high	91.2	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-70.2	-38.8	174.1	-70.2	175.6	0	0	0	112.1	R548 D549 R595	R548-L552 HydrophobicContact CG-CD1 4.04Å; R548-L552 WeakPolarHBondContact O-CG 3.43Å; R548-L552 PolarHBondContact O-N 3.27Å; D549-L552 PolarHBondContact O-N 3.08Å; L552-R595 HydrophobicContact CD2-CB 4.04Å; L552-R595 HydrophobicContact CD2-CG 4.36Å
553	Q	93.5	Very high	89.9	Confident	147 Å²	147	49.8 Å²	49.8	69%	0.687	26%	0.264	S	S	*	.	H	α-helix	trans	-74	-28.1	177.6	-69.7	169.6	25.6	0	0	112.8	D549 F550 P555	D549-Q553 WeakPolarHBondContact O-CB 3.45Å; D549-Q553 WeakPolarHBondContact O-CG 3.39Å; D549-Q553 PolarHBondContact O-N 3Å; F550-Q553 PolarHBondContact O-N 3.39Å; Q553-P555 VanDerWaalsContact C-CD 3.44Å; Q553-P555 WeakPolarHBondContact O-CD 3.38Å
554	N	92.9	Very high	88.3	Confident	57 Å²	57	47.8 Å²	47.8	31%	0.305	25%	0.253	S	S	.	.			trans	-125.4	64.4	-173.9	-57.3	-84.2	0	0	0	112.7	F550 A551 S556 A557 V558	F550-N554 HydrophobicContact CZ-CB 4.37Å; F550-N554 WeakPolarHBondContact O-CB 3.36Å; F550-N554 PolarHBondContact O-N 2.61Å; F550-N554 PolarHBondContact O-ND2 3.46Å; A551-N554 CarbonylContact O-C 3.58Å; N554-S556 PolarHBondContact O-N 3.2Å; N554-A557 HydrophobicContact CB-CB 3.96Å; N554-A557 PolarHBondContact O-N 3.21Å; N554-A557 VanDerWaalsContact O-N 3.12Å; N554-V558 PolarHBondContact O-N 3.08Å
555	P	91.3	Very high	86.4	Confident	84 Å²	84	52.3 Å²	52.3	55%	0.545	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.3	-176.2	27.6	-35.9	0	0	0	114	Q553 V558 P559	Q553-P555 VanDerWaalsContact C-CD 3.44Å; Q553-P555 WeakPolarHBondContact O-CD 3.38Å; P555-V558 CarbonylContact O-C 3.47Å; P555-P559 WeakPolarHBondContact O-CA 3.44Å
556	S	89.6	Confident	84.2	Confident	90 Å²	90	52.7 Å²	52.7	63%	0.629	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-36.8	173	50.4	0	0	0	0	112.6	R530 N554	R530-S556 PolarHBondContact NH1-O 2.99Å; N554-S556 PolarHBondContact O-N 3.2Å
557	A	89.8	Confident	82	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.025	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-38.2	178.2	0	0	0	0	0	112.1	L528 E529 R530 L531 N554 P559	L528-A557 WeakPolarHBondContact O-CB 3.26Å; E529-A557 WeakPolarHBondContact O-CA 3.45Å; R530-A557 CarbonylContact C-O 3.56Å; R530-A557 WeakPolarHBondContact CA-O 3.44Å; L531-A557 PolarHBondContact N-O 3.23Å; N554-A557 HydrophobicContact CB-CB 3.96Å; N554-A557 PolarHBondContact O-N 3.21Å; N554-A557 VanDerWaalsContact O-N 3.12Å; A557-P559 VanDerWaalsContact O-CD 3.25Å; A557-P559 WeakPolarHBondContact O-CD 3.37Å
558	V	93	Very high	79.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	32%	0.318	C	S	.	.	S	Bend	trans	-118.8	64.5	176.6	-162	0	0	0	0	110.1	L531 L533 F550 A551 N554 P555 I581 R595	L531-V558 HydrophobicContact CB-CG2 4.22Å; L531-V558 HydrophobicContact CD2-CG2 4.14Å; L533-V558 HydrophobicContact CD1-CG1 3.97Å; F550-V558 HydrophobicContact CD1-CG2 4Å; F550-V558 HydrophobicContact CE1-CG2 3.75Å; A551-V558 HydrophobicContact CB-CB 4.08Å; A551-V558 HydrophobicContact CB-CG1 4.16Å; A551-V558 HydrophobicContact CB-CG2 4.25Å; N554-V558 PolarHBondContact O-N 3.08Å; P555-V558 CarbonylContact O-C 3.47Å; V558-I581 HydrophobicContact CG1-CD1 4.18Å; V558-R595 PolarHBondContact O-NH1 3.18Å
559	P	90.3	Very high	76.9	Confident	17 Å²	17	66.2 Å²	66.2	11%	0.11	36%	0.361	C	S	.	.			trans	-61.1	154.2	-179.9	33.8	-43.4	0	0	0	110.6	P555 A557 V562 N579	P555-P559 WeakPolarHBondContact O-CA 3.44Å; A557-P559 VanDerWaalsContact O-CD 3.25Å; A557-P559 WeakPolarHBondContact O-CD 3.37Å; P559-V562 HydrophobicContact CB-CG2 4.49Å; P559-V562 HydrophobicContact CG-CG2 3.56Å; P559-N579 VanDerWaalsContact O-CB 3.3Å; P559-N579 WeakPolarHBondContact O-CB 3.48Å; P559-N579 PolarHBondContact O-ND2 3.01Å
560	R	89.3	Confident	74.3	Confident	89 Å²	89	71.8 Å²	71.8	34%	0.336	39%	0.391	S	S	.	.	S	Bend	trans	-74.5	-35.5	169.7	-76.1	-170.5	-179.3	-127.5	7.7	112.3	N579 R595 D596	R560-N579 PolarHBondContact O-N 3.09Å; R560-R595 VanDerWaalsContact CG-CZ 3.49Å; R560-D596 IonicContact CZ-OD1 3.87Å; R560-D596 IonicContact CZ-OD2 3.28Å; R560-D596 IonicContact NH1-OD1 3.78Å; R560-D596 PolarHBondContact NH1-OD1 3.21Å; R560-D596 IonicContact NH1-OD2 2.9Å; R560-D596 PolarHBondContact NH1-OD2 3.36Å; R560-D596 IonicContact NH2-OD1 2.87Å; R560-D596 PolarHBondContact NH2-OD1 3.38Å; R560-D596 IonicContact NH2-OD2 2.63Å; R560-D596 PolarHBondContact NH2-OD2 3.33Å
561	F	84.4	Confident	71.8	Confident	126 Å²	126	75 Å²	75	55%	0.553	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	127.7	-177.9	-57.9	-88.7	0	0	0	109.4	Y578	F561-Y578 HydrophobicContact CD1-CD1 4.13Å; F561-Y578 AromaticContact CD1-CE1 3.83Å; F561-Y578 HydrophobicContact CD1-CE1 3.83Å; F561-Y578 AromaticContact CE1-CD1 3.87Å; F561-Y578 HydrophobicContact CE1-CD1 3.87Å; F561-Y578 AromaticContact CE1-CE1 3.18Å; F561-Y578 HydrophobicContact CE1-CE1 3.18Å; F561-Y578 AromaticContact CE1-CZ 3.75Å; F561-Y578 AromaticContact CZ-CE1 3.9Å; F561-Y578 HydrophobicContact CZ-CE1 3.9Å
562	V	73.6	Confident	69.5	Low	1 Å²	1	82.3 Å²	82.3	1%	0.006	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.6	177.1	-166.6	0	0	0	0	109.1	W532 P559 A564 Y576 T577 N579	W532-V562 HydrophobicContact CZ2-CG1 4.25Å; P559-V562 HydrophobicContact CB-CG2 4.49Å; P559-V562 HydrophobicContact CG-CG2 3.56Å; V562-A564 PolarHBondContact O-N 3.18Å; V562-Y576 CarbonylContact O-C 3.52Å; V562-Y576 WeakPolarHBondContact O-CA 3.42Å; V562-T577 PolarHBondContact N-O 2.64Å; V562-T577 PolarHBondContact O-N 3Å; V562-N579 HydrophobicContact CG2-CB 3.72Å
563	Q	67.5	Low	67.4	Low	104 Å²	104	83.4 Å²	83.4	49%	0.486	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	124.9	161.4	-171.7	175.6	2.3	0	0	108.4	I565 P574 Y576	Q563-I565 PolarHBondContact O-N 3.46Å; Q563-P574 HydrophobicContact CG-CB 3.79Å; Q563-P574 VanDerWaalsContact NE2-CB 3.3Å; Q563-Y576 HydrophobicContact CB-CD1 4.23Å; Q563-Y576 HydrophobicContact CB-CE1 4.01Å; Q563-Y576 HydrophobicContact CG-CE1 4.47Å
564	A	57.9	Low	65.4	Low	26 Å²	26	79.4 Å²	79.4	22%	0.215	45%	0.449	C	S	.	.			trans	-56.9	129	170.4	0	0	0	0	0	108.1	V562 C566 V575 T577	V562-A564 PolarHBondContact O-N 3.18Å; A564-C566 PolarHBondContact O-N 3.32Å; A564-V575 WeakPolarHBondContact CA-O 3.47Å; A564-V575 HydrophobicContact CB-CB 4.09Å; A564-V575 WeakPolarHBondContact CB-O 3.48Å; A564-V575 PolarHBondContact N-O 3.36Å; A564-T577 HydrophobicContact CB-CG2 4.45Å
565	I	54.1	Low	63.6	Low	96 Å²	96	80.9 Å²	80.9	49%	0.492	46%	0.46	S	S	.	.			trans	-76.7	115.9	170.2	-62.2	153.7	0	0	0	105	W486 W532 Q563 E567	W486-I565 HydrophobicContact CH2-CD1 3.6Å; W486-I565 HydrophobicContact CZ2-CD1 3.91Å; W532-I565 HydrophobicContact CH2-CD1 3.59Å; W532-I565 HydrophobicContact CZ2-CD1 3.49Å; W532-I565 VanDerWaalsContact CZ2-CD1 3.49Å; Q563-I565 PolarHBondContact O-N 3.46Å; I565-E567 PolarHBondContact O-N 2.62Å
566	C	47.8	Very low	62.4	Low	54 Å²	54	83.9 Å²	83.9	37%	0.365	46%	0.462	S	S	.	.			trans	-63.3	125.4	173.6	-63.2	0	0	0	0	108.6	A564 G568	A564-C566 PolarHBondContact O-N 3.32Å; C566-G568 PolarHBondContact O-N 3.21Å
567	E	45.2	Very low	61.4	Low	106 Å²	106	81.2 Å²	81.2	50%	0.495	44%	0.441	S	S	.	.			trans	-81.2	110.8	169.1	-72.1	-173.3	-175.7	0	0	109.1	K418 I565	K418-E567 IonicContact NZ-OE2 2.97Å; K418-E567 PolarHBondContact NZ-OE2 2.87Å; K418-E567 VanDerWaalsContact NZ-OE2 3.09Å; I565-E567 PolarHBondContact O-N 2.62Å
568	G	46.3	Very low	61.1	Low	57 Å²	57	87.4 Å²	87.4	59%	0.588	47%	0.465	S	S	*	.	S	Bend	trans	88.7	-178.6	174.3	0	0	0	0	0	115.8	C566 D570	C566-G568 PolarHBondContact O-N 3.21Å; G568-D570 PolarHBondContact O-N 3.11Å
569	D	34.9	Very low	60.9	Low	177 Å²	177	87.3 Å²	87.3	95%	0.947	47%	0.465	S	S	*	.	S	Bend	trans	-71.5	-2.6	-171.2	-77.7	-28.3	0	0	0	115.1	C571	D569-C571 PolarHBondContact O-N 2.93Å
570	D	38.5	Very low	60.9	Low	154 Å²	154	89.1 Å²	89.1	82%	0.824	47%	0.473	S	S	*	.			trans	-96.9	76.2	178.6	-78.4	-33.2	0	0	0	111.9	G568 Q572	G568-D570 PolarHBondContact O-N 3.11Å; D570-Q572 PolarHBondContact O-N 3.43Å; D570-Q572 VanDerWaalsContact O-N 3.15Å
571	C	40.5	Very low	61.2	Low	100 Å²	100	84.9 Å²	84.9	68%	0.676	46%	0.457	S	S	*	.			trans	-77.7	94	173.5	-75	0	0	0	0	111.9	D569	D569-C571 PolarHBondContact O-N 2.93Å
572	Q	46.1	Very low	61.7	Low	156 Å²	156	81.7 Å²	81.7	73%	0.729	45%	0.448	S	S	*	.			trans	-65.3	164.8	152.9	-78.4	-167.4	-5.6	0	0	110.8	D570	D570-Q572 PolarHBondContact O-N 3.43Å; D570-Q572 VanDerWaalsContact O-N 3.15Å
573	P	49.1	Very low	62.9	Low	105 Å²	105	81.8 Å²	81.8	68%	0.682	45%	0.449	S	S	*	.	S	Bend	trans	-52.8	149.5	179.2	20.1	-33.7	0	0	0	112.6	V575	P573-V575 PolarHBondContact O-N 2.96Å
574	P	50.8	Low	64.3	Low	63 Å²	63	79.5 Å²	79.5	41%	0.409	45%	0.447	S	S	.	.			trans	-62.1	109	-173.2	24.4	-33.6	0	0	0	111.3	Q563 Y576	Q563-P574 HydrophobicContact CG-CB 3.79Å; Q563-P574 VanDerWaalsContact NE2-CB 3.3Å; P574-Y576 HydrophobicContact CB-CE2 4.43Å; P574-Y576 HydrophobicContact CG-CE2 4.48Å
575	V	55.3	Low	66.1	Low	89 Å²	89	79.5 Å²	79.5	54%	0.539	45%	0.446	S	S	.	.			trans	-76.7	124.2	172.8	-178	0	0	0	0	107.5	A564 P573 T577	A564-V575 WeakPolarHBondContact CA-O 3.47Å; A564-V575 HydrophobicContact CB-CB 4.09Å; A564-V575 WeakPolarHBondContact CB-O 3.48Å; A564-V575 PolarHBondContact N-O 3.36Å; P573-V575 PolarHBondContact O-N 2.96Å; V575-T577 HydrophobicContact CG1-CG2 4.36Å
576	Y	66.4	Low	68	Low	147 Å²	147	76.5 Å²	76.5	58%	0.576	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.1	172.1	-67.5	-92.3	0	0	0	109.1	V562 Q563 P574	V562-Y576 CarbonylContact O-C 3.52Å; V562-Y576 WeakPolarHBondContact O-CA 3.42Å; Q563-Y576 HydrophobicContact CB-CD1 4.23Å; Q563-Y576 HydrophobicContact CB-CE1 4.01Å; Q563-Y576 HydrophobicContact CG-CE1 4.47Å; P574-Y576 HydrophobicContact CB-CE2 4.43Å; P574-Y576 HydrophobicContact CG-CE2 4.48Å
577	T	69.3	Low	70.2	Confident	33 Å²	33	79 Å²	79	20%	0.202	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.9	172.7	77.6	0	0	0	0	111.2	R514 E534 V562 A564 V575	R514-T577 PolarHBondContact NH1-OG1 2.96Å; R514-T577 PolarHBondContact NH2-OG1 2.99Å; E534-T577 PolarHBondContact OE1-OG1 3.2Å; V562-T577 PolarHBondContact N-O 2.64Å; V562-T577 PolarHBondContact O-N 3Å; A564-T577 HydrophobicContact CB-CG2 4.45Å; V575-T577 HydrophobicContact CG1-CG2 4.36Å
578	Y	82.3	Confident	72.6	Confident	134 Å²	134	81.2 Å²	81.2	53%	0.525	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.9	-179.1	-75.8	-88.7	0	0	0	110.2	E534 F561 N580	E534-Y578 WeakPolarHBondContact CB-O 3.44Å; F561-Y578 HydrophobicContact CD1-CD1 4.13Å; F561-Y578 AromaticContact CD1-CE1 3.83Å; F561-Y578 HydrophobicContact CD1-CE1 3.83Å; F561-Y578 AromaticContact CE1-CD1 3.87Å; F561-Y578 HydrophobicContact CE1-CD1 3.87Å; F561-Y578 AromaticContact CE1-CE1 3.18Å; F561-Y578 HydrophobicContact CE1-CE1 3.18Å; F561-Y578 AromaticContact CE1-CZ 3.75Å; F561-Y578 AromaticContact CZ-CE1 3.9Å; F561-Y578 HydrophobicContact CZ-CE1 3.9Å; Y578-N580 PolarHBondContact O-N 3.49Å
579	N	88.6	Confident	74.9	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	43%	0.434	C	S	.	.			trans	-85	59.4	172.5	-171.3	41.4	0	0	0	110.5	L531 W532 L533 E534 P559 R560 V562 R595	L531-N579 PolarHBondContact O-ND2 3.31Å; W532-N579 WeakPolarHBondContact CA-OD1 3.25Å; L533-N579 PolarHBondContact N-OD1 3.01Å; E534-N579 PolarHBondContact N-OD1 2.89Å; P559-N579 VanDerWaalsContact O-CB 3.3Å; P559-N579 WeakPolarHBondContact O-CB 3.48Å; P559-N579 PolarHBondContact O-ND2 3.01Å; R560-N579 PolarHBondContact O-N 3.09Å; V562-N579 HydrophobicContact CG2-CB 3.72Å; N579-R595 PolarHBondContact O-NH2 3.3Å
580	N	91.1	Very high	77.8	Confident	55 Å²	55	73 Å²	73	29%	0.294	41%	0.409	S	S	.	.			trans	-77.8	138.2	-178.2	-74.4	-0.9	0	0	0	111	E534 Y578 T582 D593	E534-N580 WeakPolarHBondContact CA-O 3.48Å; Y578-N580 PolarHBondContact O-N 3.49Å; N580-T582 PolarHBondContact O-N 3.2Å; N580-D593 VanDerWaalsContact CA-OD2 3.32Å; N580-D593 WeakPolarHBondContact CA-OD2 3.21Å
581	I	95.1	Very high	80.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	40%	0.398	C	S	.	.			trans	-103.1	68.9	174.8	-49	174.3	0	0	0	106.8	L533 W538 L547 A551 V558 C583 D593 L594	L533-I581 HydrophobicContact CB-CG1 4.33Å; L533-I581 HydrophobicContact CD1-CD1 3.81Å; L533-I581 HydrophobicContact CD1-CG1 4.13Å; W538-I581 HydrophobicContact CD2-CG2 4.21Å; W538-I581 HydrophobicContact CG-CG2 3.86Å; L547-I581 HydrophobicContact CD2-CG2 4.39Å; A551-I581 HydrophobicContact CB-CD1 4.22Å; V558-I581 HydrophobicContact CG1-CD1 4.18Å; I581-C583 PolarHBondContact O-N 2.8Å; I581-D593 PolarHBondContact N-OD2 2.69Å; I581-D593 WeakPolarHBondContact O-CA 3.2Å; I581-L594 HydrophobicContact CB-CB 3.89Å; I581-L594 HydrophobicContact CD1-CD2 4.5Å; I581-L594 HydrophobicContact CG2-CB 3.69Å; I581-L594 HydrophobicContact CG2-CD2 3.74Å; I581-L594 HydrophobicContact CG2-CG 4.37Å; I581-L594 PolarHBondContact O-N 2.89Å
582	T	96.3	Very high	83	Confident	59 Å²	59	67.9 Å²	67.9	36%	0.362	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-74.1	124.9	-173	-51.3	0	0	0	0	111	N580 A584 L592	N580-T582 PolarHBondContact O-N 3.2Å; T582-A584 PolarHBondContact O-N 3.14Å; T582-L592 WeakPolarHBondContact CA-O 3.36Å
583	C	97.6	Very high	85.4	Confident	3 Å²	3	61 Å²	61	2%	0.02	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.5	176.7	-61.1	0	0	0	0	111.2	C540 I581 V589 A590 G591 L592	C540-C583 HydrophobicContact CB-CB 3.75Å; C540-C583 WeakPolarHBondContact CB-SG 3.3Å; C540-C583 WeakPolarHBondContact SG-CA 3.3Å; C540-C583 WeakPolarHBondContact SG-CB 3.5Å; C540-C583 CovalentContact SG-SG 2.02Å; C540-C583 PolarHBondContact SG-SG 3.36Å; I581-C583 PolarHBondContact O-N 2.8Å; C583-V589 HydrophobicContact CB-CG2 4.22Å; C583-V589 VanDerWaalsContact CB-O 3.29Å; C583-V589 WeakPolarHBondContact CB-O 3.26Å; C583-A590 CarbonylContact O-C 3.28Å; C583-A590 WeakPolarHBondContact O-CA 3.46Å; C583-G591 PolarHBondContact O-N 3.04Å; C583-L592 PolarHBondContact N-O 3.36Å; C583-L592 PolarHBondContact SG-O 3.11Å
584	A	97.1	Very high	87.6	Confident	55 Å²	55	56 Å²	56	46%	0.455	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-28.9	169.9	0	0	0	0	0	111.9	P537 W538 T582	P537-A584 HydrophobicContact CB-CB 4.01Å; W538-A584 PolarHBondContact O-N 3.13Å; T582-A584 PolarHBondContact O-N 3.14Å
585	S	95.6	Very high	89.8	Confident	26 Å²	26	53.9 Å²	53.9	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.5	172.9	58.8	0	0	0	0	110.9	W538 D539 C540	W538-S585 PolarHBondContact O-N 3.46Å; D539-S585 WeakPolarHBondContact CA-OG 2.97Å; D539-S585 VanDerWaalsContact CB-OG 3.31Å; D539-S585 WeakPolarHBondContact CB-OG 3.24Å; D539-S585 VanDerWaalsContact CG-OG 3.25Å; D539-S585 PolarHBondContact OD1-OG 3.48Å; C540-S585 WeakPolarHBondContact CB-O 3.21Å; C540-S585 PolarHBondContact N-O 3.29Å
586	P	95.1	Very high	91.7	Very high	33 Å²	33	54.5 Å²	54.5	21%	0.214	31%	0.308	C	S	.	.	S	Bend	cis	-71.3	166	-11.4	36.2	-39.9	0	0	0	112.1	E588 V589 A590	P586-E588 WeakPolarHBondContact CB-OE2 3.35Å; P586-E588 WeakPolarHBondContact CG-OE2 3.34Å; P586-E588 PolarHBondContact O-N 3.18Å; P586-E588 VanDerWaalsContact O-N 3.07Å; P586-V589 HydrophobicContact CG-CG2 4.03Å; P586-V589 WeakPolarHBondContact O-CG2 3.46Å; P586-V589 PolarHBondContact O-N 2.94Å; P586-V589 VanDerWaalsContact O-N 3.16Å; P586-A590 PolarHBondContact O-N 3.08Å
587	P	93.5	Very high	93	Very high	108 Å²	108	48 Å²	48	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.5	-170.1	-26.2	35.3	0	0	0	115.2	V589 A590	P587-V589 VanDerWaalsContact C-N 3.25Å; P587-V589 PolarHBondContact O-N 3.22Å; P587-A590 PolarHBondContact O-N 3.11Å
588	E	94.5	Very high	94	Very high	152 Å²	152	48.6 Å²	48.6	71%	0.71	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-26	-177.2	-54.1	76.4	-163.5	0	0	112.6	P586	P586-E588 WeakPolarHBondContact CB-OE2 3.35Å; P586-E588 WeakPolarHBondContact CG-OE2 3.34Å; P586-E588 PolarHBondContact O-N 3.18Å; P586-E588 VanDerWaalsContact O-N 3.07Å
589	V	95.4	Very high	94.4	Very high	12 Å²	12	47.2 Å²	47.2	7%	0.073	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	4.9	-179.5	-63	0	0	0	0	112.8	C540 C583 P586 P587 G591 L592 L597 H601	C540-V589 HydrophobicContact CB-CG2 4.07Å; C583-V589 HydrophobicContact CB-CG2 4.22Å; C583-V589 VanDerWaalsContact CB-O 3.29Å; C583-V589 WeakPolarHBondContact CB-O 3.26Å; P586-V589 HydrophobicContact CG-CG2 4.03Å; P586-V589 WeakPolarHBondContact O-CG2 3.46Å; P586-V589 PolarHBondContact O-N 2.94Å; P586-V589 VanDerWaalsContact O-N 3.16Å; P587-V589 VanDerWaalsContact C-N 3.25Å; P587-V589 PolarHBondContact O-N 3.22Å; V589-G591 PolarHBondContact O-N 2.97Å; V589-L592 HydrophobicContact CB-CD1 4.32Å; V589-L592 WeakPolarHBondContact O-CB 3.16Å; V589-L592 PolarHBondContact O-N 3.28Å; V589-L592 VanDerWaalsContact O-N 3.13Å; V589-L597 HydrophobicContact CB-CD1 4.22Å; V589-L597 HydrophobicContact CB-CD2 3.93Å; V589-L597 HydrophobicContact CG1-CD1 4.31Å; V589-L597 HydrophobicContact CG1-CD2 3.75Å; V589-L597 HydrophobicContact CG2-CD1 4.28Å; V589-H601 VanDerWaalsContact CG1-CE1 3.5Å; V589-H601 WeakPolarHBondContact CG1-CE1 3.44Å
590	A	95.2	Very high	94.5	Very high	50 Å²	50	51.4 Å²	51.4	41%	0.413	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	133.2	-179.3	0	0	0	0	0	111.4	C583 P586 P587 L592	C583-A590 CarbonylContact O-C 3.28Å; C583-A590 WeakPolarHBondContact O-CA 3.46Å; P586-A590 PolarHBondContact O-N 3.08Å; P587-A590 PolarHBondContact O-N 3.11Å; A590-L592 VanDerWaalsContact C-N 3.33Å
591	G	93.6	Very high	94.6	Very high	57 Å²	57	51.7 Å²	51.7	59%	0.588	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-11.6	-176.9	0	0	0	0	0	115.2	C583 V589	C583-G591 PolarHBondContact O-N 3.04Å; V589-G591 PolarHBondContact O-N 2.97Å
592	L	95.6	Very high	94.5	Very high	89 Å²	89	51.7 Å²	51.7	47%	0.466	33%	0.327	S	S	.	.	S	Bend	trans	-82	152	173.7	-57	179.9	0	0	0	111.1	T582 C583 V589 A590 L597	T582-L592 WeakPolarHBondContact CA-O 3.36Å; C583-L592 PolarHBondContact N-O 3.36Å; C583-L592 PolarHBondContact SG-O 3.11Å; V589-L592 HydrophobicContact CB-CD1 4.32Å; V589-L592 WeakPolarHBondContact O-CB 3.16Å; V589-L592 PolarHBondContact O-N 3.28Å; V589-L592 VanDerWaalsContact O-N 3.13Å; A590-L592 VanDerWaalsContact C-N 3.33Å; L592-L597 HydrophobicContact CB-CD2 4.16Å; L592-L597 HydrophobicContact CD1-CD2 3.85Å
593	D	96.1	Very high	94.1	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.059	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-77.9	133.9	169.5	-169.9	-72.2	0	0	0	109.5	N580 I581 R595 D596	N580-D593 VanDerWaalsContact CA-OD2 3.32Å; N580-D593 WeakPolarHBondContact CA-OD2 3.21Å; I581-D593 PolarHBondContact N-OD2 2.69Å; I581-D593 WeakPolarHBondContact O-CA 3.2Å; D593-R595 PolarHBondContact O-N 3.15Å; D593-R595 VanDerWaalsContact OD1-CB 3.3Å; D593-R595 WeakPolarHBondContact OD1-CB 3.42Å; D593-R595 IonicContact OD1-CZ 2.79Å; D593-R595 PolarHBondContact OD1-N 3.2Å; D593-R595 IonicContact OD1-NE 3.87Å; D593-R595 PolarHBondContact OD1-NE 3.05Å; D593-R595 IonicContact OD1-NH2 3.92Å; D593-R595 PolarHBondContact OD1-NH2 3.09Å; D593-R595 IonicContact OD2-CZ 3.27Å; D593-R595 IonicContact OD2-NE 3.82Å; D593-R595 IonicContact OD2-NH2 2.91Å; D593-R595 PolarHBondContact OD2-NH2 3.09Å; D593-D596 WeakPolarHBondContact O-CB 3.31Å; D593-D596 PolarHBondContact O-N 3.08Å
594	L	96.2	Very high	93.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-50.2	-35.3	-180	178.6	63.9	0	0	0	113.2	C540 L544 L547 R548 I581 D596 L597 F602	C540-L594 HydrophobicContact CB-CD1 4.15Å; L544-L594 HydrophobicContact CD2-CD1 4.07Å; L544-L594 HydrophobicContact CD2-CD2 3.68Å; L544-L594 HydrophobicContact CD2-CG 4.42Å; L544-L594 HydrophobicContact CG-CD1 4.48Å; L544-L594 HydrophobicContact CG-CD2 3.79Å; L547-L594 HydrophobicContact CB-CD2 4.34Å; L547-L594 HydrophobicContact CD2-CD2 4.32Å; L547-L594 HydrophobicContact CG-CD2 4.21Å; R548-L594 HydrophobicContact CB-CD1 3.92Å; R548-L594 HydrophobicContact CB-CD2 3.81Å; R548-L594 HydrophobicContact CB-CG 3.66Å; R548-L594 WeakPolarHBondContact CD-O 3.43Å; R548-L594 HydrophobicContact CG-CD1 4.34Å; R548-L594 HydrophobicContact CG-CG 4.05Å; I581-L594 HydrophobicContact CB-CB 3.89Å; I581-L594 HydrophobicContact CD1-CD2 4.5Å; I581-L594 HydrophobicContact CG2-CB 3.69Å; I581-L594 HydrophobicContact CG2-CD2 3.74Å; I581-L594 HydrophobicContact CG2-CG 4.37Å; I581-L594 PolarHBondContact O-N 2.89Å; L594-D596 PolarHBondContact O-N 3.01Å; L594-L597 HydrophobicContact CD1-CD1 4.21Å; L594-L597 PolarHBondContact O-N 3.32Å; L594-F602 HydrophobicContact CD1-CZ 3.76Å
595	R	95.3	Very high	93	Very high	18 Å²	18	59.2 Å²	59.2	7%	0.068	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-71.8	-16.3	-178.7	-65.3	167.7	-71.7	-155.6	-7.1	113	A551 L552 V558 R560 N579 D593	A551-R595 HydrophobicContact CB-CG 4.08Å; L552-R595 HydrophobicContact CD2-CB 4.04Å; L552-R595 HydrophobicContact CD2-CG 4.36Å; V558-R595 PolarHBondContact O-NH1 3.18Å; R560-R595 VanDerWaalsContact CG-CZ 3.49Å; N579-R595 PolarHBondContact O-NH2 3.3Å; D593-R595 PolarHBondContact O-N 3.15Å; D593-R595 VanDerWaalsContact OD1-CB 3.3Å; D593-R595 WeakPolarHBondContact OD1-CB 3.42Å; D593-R595 IonicContact OD1-CZ 2.79Å; D593-R595 PolarHBondContact OD1-N 3.2Å; D593-R595 IonicContact OD1-NE 3.87Å; D593-R595 PolarHBondContact OD1-NE 3.05Å; D593-R595 IonicContact OD1-NH2 3.92Å; D593-R595 PolarHBondContact OD1-NH2 3.09Å; D593-R595 IonicContact OD2-CZ 3.27Å; D593-R595 IonicContact OD2-NE 3.82Å; D593-R595 IonicContact OD2-NH2 2.91Å; D593-R595 PolarHBondContact OD2-NH2 3.09Å
596	D	95.2	Very high	92.9	Very high	103 Å²	103	60.9 Å²	60.9	55%	0.551	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-92.6	-8.1	178.5	-62.9	-37.8	0	0	0	112.4	R560 D593 L594	R560-D596 IonicContact CZ-OD1 3.87Å; R560-D596 IonicContact CZ-OD2 3.28Å; R560-D596 IonicContact NH1-OD1 3.78Å; R560-D596 PolarHBondContact NH1-OD1 3.21Å; R560-D596 IonicContact NH1-OD2 2.9Å; R560-D596 PolarHBondContact NH1-OD2 3.36Å; R560-D596 IonicContact NH2-OD1 2.87Å; R560-D596 PolarHBondContact NH2-OD1 3.38Å; R560-D596 IonicContact NH2-OD2 2.63Å; R560-D596 PolarHBondContact NH2-OD2 3.33Å; D593-D596 WeakPolarHBondContact O-CB 3.31Å; D593-D596 PolarHBondContact O-N 3.08Å; L594-D596 PolarHBondContact O-N 3.01Å
597	L	94.4	Very high	92.8	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.058	40%	0.399	C	S	.	.			trans	-73.7	132.5	174.6	-58.4	-173.6	0	0	0	111	C540 R548 V589 L592 L594 F602	C540-L597 HydrophobicContact CB-CD1 3.91Å; R548-L597 PolarHBondContact NE-O 2.65Å; R548-L597 PolarHBondContact NH2-O 3.08Å; V589-L597 HydrophobicContact CB-CD1 4.22Å; V589-L597 HydrophobicContact CB-CD2 3.93Å; V589-L597 HydrophobicContact CG1-CD1 4.31Å; V589-L597 HydrophobicContact CG1-CD2 3.75Å; V589-L597 HydrophobicContact CG2-CD1 4.28Å; L592-L597 HydrophobicContact CB-CD2 4.16Å; L592-L597 HydrophobicContact CD1-CD2 3.85Å; L594-L597 HydrophobicContact CD1-CD1 4.21Å; L594-L597 PolarHBondContact O-N 3.32Å; L597-F602 HydrophobicContact CB-CE2 3.91Å; L597-F602 HydrophobicContact CD1-CE2 4.26Å; L597-F602 HydrophobicContact CD1-CZ 4.16Å
598	G	90.3	Very high	92.8	Very high	44 Å²	44	59.8 Å²	59.8	45%	0.454	38%	0.382	S	S	.	.			trans	-78.5	162.6	178.5	0	0	0	0	0	113.6	A600 H601	G598-A600 PolarHBondContact O-N 3.49Å; G598-A600 VanDerWaalsContact O-N 3.15Å; G598-H601 WeakPolarHBondContact O-CB 3.34Å; G598-H601 PolarHBondContact O-N 3.19Å; G598-H601 VanDerWaalsContact O-N 3.1Å
599	E	90.8	Very high	92.7	Very high	105 Å²	105	54.4 Å²	54.4	49%	0.491	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-56	-31.3	177.1	-67.5	-55.9	132.4	0	0	113.1	K545 R548 H601 F602 A603	K545-E599 IonicContact NZ-OE2 2.8Å; R548-E599 IonicContact CZ-OE1 3.37Å; R548-E599 VanDerWaalsContact CZ-OE1 3.27Å; R548-E599 IonicContact NH1-OE1 3.65Å; R548-E599 PolarHBondContact NH1-OE1 3.13Å; R548-E599 IonicContact NH1-OE2 3.5Å; R548-E599 IonicContact NH2-OE1 2.87Å; R548-E599 PolarHBondContact NH2-OE1 2.89Å; E599-H601 PolarHBondContact O-N 2.91Å; E599-F602 CarbonylContact O-C 3.45Å; E599-F602 PolarHBondContact O-N 3.16Å; E599-A603 PolarHBondContact O-N 3.3Å
600	A	90.9	Very high	92.5	Very high	88 Å²	88	57.1 Å²	57.1	73%	0.727	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-59.1	-31.4	179	0	0	0	0	0	113.3	G598 F602 A603	G598-A600 PolarHBondContact O-N 3.49Å; G598-A600 VanDerWaalsContact O-N 3.15Å; A600-F602 VanDerWaalsContact C-N 3.27Å; A600-F602 PolarHBondContact O-N 3.26Å; A600-A603 WeakPolarHBondContact O-CB 3.37Å; A600-A603 PolarHBondContact O-N 3.14Å
601	H	93.2	Very high	92.3	Very high	61 Å²	61	57.5 Å²	57.5	28%	0.282	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-65.2	-33.5	175.4	-179	77.4	0	0	0	112	C540 V589 G598 E599	C540-H601 PolarHBondContact O-NE2 3.06Å; V589-H601 VanDerWaalsContact CG1-CE1 3.5Å; V589-H601 WeakPolarHBondContact CG1-CE1 3.44Å; G598-H601 WeakPolarHBondContact O-CB 3.34Å; G598-H601 PolarHBondContact O-N 3.19Å; G598-H601 VanDerWaalsContact O-N 3.1Å; E599-H601 PolarHBondContact O-N 2.91Å
602	F	92.9	Very high	92.2	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-100.7	5.7	-178.7	-62	-80.5	0	0	0	113.5	K545 L594 L597 E599 A600 P604 C605	K545-F602 HydrophobicContact CB-CD1 3.66Å; K545-F602 HydrophobicContact CB-CE1 4.01Å; K545-F602 HydrophobicContact CB-CG 4.29Å; K545-F602 HydrophobicContact CD-CB 3.83Å; K545-F602 HydrophobicContact CD-CD1 4.33Å; K545-F602 HydrophobicContact CD-CG 4.25Å; K545-F602 HydrophobicContact CG-CB 4.05Å; K545-F602 HydrophobicContact CG-CD1 3.81Å; K545-F602 HydrophobicContact CG-CE1 4.44Å; K545-F602 HydrophobicContact CG-CG 3.91Å; L594-F602 HydrophobicContact CD1-CZ 3.76Å; L597-F602 HydrophobicContact CB-CE2 3.91Å; L597-F602 HydrophobicContact CD1-CE2 4.26Å; L597-F602 HydrophobicContact CD1-CZ 4.16Å; E599-F602 CarbonylContact O-C 3.45Å; E599-F602 PolarHBondContact O-N 3.16Å; A600-F602 VanDerWaalsContact C-N 3.27Å; A600-F602 PolarHBondContact O-N 3.26Å; F602-P604 VanDerWaalsContact C-N 3.29Å; F602-C605 WeakPolarHBondContact O-CA 3.45Å; F602-C605 WeakPolarHBondContact O-CB 3.26Å; F602-C605 PolarHBondContact O-N 3.38Å; F602-C605 PolarHBondContact O-SG 3.04Å; F602-C605 VanDerWaalsContact O-SG 3.34Å
603	A	87.9	Confident	92	Very high	72 Å²	72	55.2 Å²	55.2	60%	0.595	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.3	177.5	0	0	0	0	0	115.7	E599 A600 C605	E599-A603 PolarHBondContact O-N 3.3Å; A600-A603 WeakPolarHBondContact O-CB 3.37Å; A600-A603 PolarHBondContact O-N 3.14Å; A603-C605 PolarHBondContact O-N 2.94Å
604	P	85.8	Confident	91.6	Very high	114 Å²	114	58.8 Å²	58.8	74%	0.74	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-8.9	171.7	-18.7	33.1	0	0	0	114.3	F602	F602-P604 VanDerWaalsContact C-N 3.29Å
605	C	86.5	Confident	91.2	Very high	89 Å²	89	64.2 Å²	64.2	60%	0.601	42%	0.416	S	S	*	.			trans	-100.3	0	175.5	-30.8	0	0	0	0	108.7	C542 K545 F602 A603	C542-C605 WeakPolarHBondContact CA-SG 3.42Å; C542-C605 HydrophobicContact CB-CB 3.73Å; C542-C605 WeakPolarHBondContact CB-SG 3.21Å; C542-C605 WeakPolarHBondContact SG-CB 3.18Å; C542-C605 CovalentContact SG-SG 2.03Å; C542-C605 PolarHBondContact SG-SG 2.88Å; K545-C605 HydrophobicContact CD-CB 4.19Å; F602-C605 WeakPolarHBondContact O-CA 3.45Å; F602-C605 WeakPolarHBondContact O-CB 3.26Å; F602-C605 PolarHBondContact O-N 3.38Å; F602-C605 PolarHBondContact O-SG 3.04Å; F602-C605 VanDerWaalsContact O-SG 3.34Å; A603-C605 PolarHBondContact O-N 2.94Å

Retrieved 605 of 605 residues in 490.7 ms (Link to these results)

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