A0A087YRP5_POEFO Loading...

Leucine rich repeat containing 4C

AlphaFold DB , UniProt , Accession A0A087YRP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 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	37.3	Very low	30.1	Very low	244 Å²	244	176.1 Å²	176.1	100%	1.202	84%	0.84	S	S	*	*				0	85.2	0	-58	178.5	-173.5	0	0	106.1
2	R	28.5	Very low	29.9	Very low	237 Å²	237	177.8 Å²	177.8	89%	0.894	85%	0.846	S	S	*	*				54.2	126.7	79.5	-115.6	-174	-170.3	-179.6	2.6	115.3
3	N	27.6	Very low	30.1	Very low	139 Å²	139	174.2 Å²	174.2	74%	0.743	84%	0.844	S	S	*	*			trans	89.1	106.1	169.9	-60.9	3.7	0	0	0	114.1
4	T	30.1	Very low	30	Very low	113 Å²	113	175.2 Å²	175.2	69%	0.693	85%	0.85	S	S	*	*			cis	59.1	109.6	37.3	4.9	0	0	0	0	115.4	I6	T4-I6 HydrophobicContact CG2-CD1 4.42Å; T4-I6 HydrophobicContact CG2-CG1 4.22Å
5	M	29.5	Very low	30.5	Very low	198 Å²	198	180.5 Å²	180.5	98%	0.975	86%	0.857	S	S	*	*			trans	-137.4	136	139.2	-98.2	-147.7	-165.5	0	0	109.8
6	I	32.8	Very low	30.6	Very low	111 Å²	111	173.9 Å²	173.9	57%	0.569	85%	0.852	S	S	*	*			trans	-111.2	140.6	-175.8	-56.3	174.7	0	0	0	105.2	T4	T4-I6 HydrophobicContact CG2-CD1 4.42Å; T4-I6 HydrophobicContact CG2-CG1 4.22Å
7	Y	31.2	Very low	31.4	Very low	206 Å²	206	178.4 Å²	178.4	81%	0.808	86%	0.857	S	S	*	*				167.2	141.5	99.8	-89.5	-81.3	0	0	0	105.3
8	S	27.3	Very low	32.1	Very low	114 Å²	114	181.9 Å²	181.9	80%	0.797	86%	0.861	S	S	*	*				-162.7	154.9	55.1	54.1	0	0	0	0	113.9
9	L	29.2	Very low	32.7	Very low	151 Å²	151	181.7 Å²	181.7	79%	0.791	86%	0.864	S	S	*	*			trans	-45.4	154.2	168.2	-90.7	71.9	0	0	0	113.7
10	Q	27.5	Very low	33.2	Very low	187 Å²	187	183.2 Å²	183.2	87%	0.874	87%	0.867	S	S	*	*				-170.8	148.2	70.1	-159.3	163.3	-22.7	0	0	113.6
11	R	29.7	Very low	33.8	Very low	237 Å²	237	177 Å²	177	89%	0.894	85%	0.852	S	S	*	*			trans	-60.5	144	175.6	-73.4	174	177	-175.3	-1.4	113.5
12	Q	27.8	Very low	34.3	Very low	196 Å²	196	168.4 Å²	168.4	92%	0.916	82%	0.82	S	S	*	*			trans	-148.5	121.7	136.7	-106.3	179.3	6	0	0	111.5
13	T	32.5	Very low	35.3	Very low	132 Å²	132	164.7 Å²	164.7	81%	0.81	82%	0.817	S	S	*	*			trans	-74.6	132.1	168.3	40.9	0	0	0	0	110.9
14	M	29.3	Very low	36.5	Very low	188 Å²	188	162.6 Å²	162.6	93%	0.926	81%	0.813	S	S	*	*			trans	-138.3	117.8	156	-87.8	-67.2	-119.4	0	0	110.8
15	R	37.1	Very low	37.9	Very low	254 Å²	254	161.4 Å²	161.4	96%	0.958	80%	0.802	S	S	*	*			trans	-62.7	142.5	166.6	-93.3	170.4	165.2	173.6	-3.6	110.1
16	G	31.5	Very low	39.5	Very low	76 Å²	76	156.5 Å²	156.5	78%	0.784	79%	0.785	S	S	*	*			trans	-162.5	74	168.8	0	0	0	0	0	113	R18	G16-R18 PolarHBondContact O-N 3.29Å
17	R	45.3	Very low	41.1	Very low	249 Å²	249	157.1 Å²	157.1	94%	0.94	79%	0.789	S	S	*	*			trans	-57.6	117.6	163.1	-79.2	173.5	169.5	173.5	-4.6	108.9
18	R	44.5	Very low	43	Very low	243 Å²	243	152.7 Å²	152.7	92%	0.917	77%	0.774	S	S	*	*			trans	-174.1	70.1	154.9	-104.7	173.8	-157.3	-156.8	6.9	111	G16	G16-R18 PolarHBondContact O-N 3.29Å
19	L	43	Very low	45.2	Very low	178 Å²	178	150.8 Å²	150.8	93%	0.932	76%	0.758	S	S	*	*	S	Bend	trans	-147.9	27.9	162	-139.2	87	0	0	0	112.5
20	K	42.8	Very low	47.4	Very low	210 Å²	210	147.6 Å²	147.6	91%	0.913	74%	0.744	S	S	*	*	S	Bend	trans	-119	9.8	175.9	-78.6	-169	173.9	-173.3	0	113.8
21	G	44.6	Very low	49.6	Very low	53 Å²	53	143 Å²	143	55%	0.546	73%	0.725	S	S	.	*	S	Bend	trans	-111.1	-4.3	-176.5	0	0	0	0	0	116
22	A	48.5	Very low	51.7	Low	64 Å²	64	135.7 Å²	135.7	53%	0.529	70%	0.703	S	S	.	*	S	Bend	trans	-86.2	-14.4	-176.8	0	0	0	0	0	113.8	F28	A22-F28 WeakPolarHBondContact O-CD1 3.49Å
23	L	50.4	Low	53.7	Low	160 Å²	160	128.5 Å²	128.5	84%	0.838	68%	0.677	S	S	*	*	S	Bend	trans	-100.3	-1.6	-179.6	-84	153.2	0	0	0	113.9
24	S	52.3	Low	55.4	Low	94 Å²	94	126.7 Å²	126.7	66%	0.657	66%	0.662	S	S	*	*	S	Bend	trans	-100.8	0	-178.7	69.7	0	0	0	0	114.1	P26	S24-P26 WeakPolarHBondContact O-CD 3.37Å
25	N	58.8	Low	57.2	Low	89 Å²	89	123.7 Å²	123.7	48%	0.476	65%	0.646	S	S	.	*			trans	-97.7	109.6	-177.7	-158	-20.3	0	0	0	109.4	L27 F28 V29	N25-L27 PolarHBondContact O-N 3.27Å; N25-L27 VanDerWaalsContact O-N 3.16Å; N25-F28 HydrophobicContact CB-CB 4.2Å; N25-F28 WeakPolarHBondContact O-CB 3.44Å; N25-F28 PolarHBondContact O-N 3.47Å; N25-V29 PolarHBondContact O-N 3.16Å
26	P	63	Low	58.4	Low	95 Å²	95	116.7 Å²	116.7	62%	0.617	63%	0.626	S	S	*	*	H	α-helix	trans	-60.5	-29.3	-174.1	23.6	-33.2	0	0	0	112	S24 F28 V29 V30	S24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-F28 VanDerWaalsContact C-N 3.34Å; P26-F28 PolarHBondContact O-N 2.98Å; P26-V29 PolarHBondContact O-N 2.74Å; P26-V30 WeakPolarHBondContact O-CB 3.34Å; P26-V30 WeakPolarHBondContact O-CG2 3.4Å; P26-V30 PolarHBondContact O-N 3.36Å
27	L	67.6	Low	59.7	Low	123 Å²	123	118.8 Å²	118.8	64%	0.644	62%	0.619	S	S	*	*	H	α-helix	trans	-65.5	-36.5	176	-135.3	97.3	0	0	0	112.5	N25 L31	N25-L27 PolarHBondContact O-N 3.27Å; N25-L27 VanDerWaalsContact O-N 3.16Å; L27-L31 HydrophobicContact CD2-CD1 4.38Å; L27-L31 WeakPolarHBondContact O-CB 3.17Å; L27-L31 PolarHBondContact O-N 2.8Å
28	F	70	Confident	60.3	Low	114 Å²	114	110.9 Å²	110.9	50%	0.5	60%	0.598	S	S	.	*	H	α-helix	trans	-73.5	-38.5	-179.8	-168	-98.9	0	0	0	111.3	A22 N25 P26 L31 L32	A22-F28 WeakPolarHBondContact O-CD1 3.49Å; N25-F28 HydrophobicContact CB-CB 4.2Å; N25-F28 WeakPolarHBondContact O-CB 3.44Å; N25-F28 PolarHBondContact O-N 3.47Å; P26-F28 VanDerWaalsContact C-N 3.34Å; P26-F28 PolarHBondContact O-N 2.98Å; F28-L31 PolarHBondContact O-N 3.46Å; F28-L32 HydrophobicContact CE1-CD1 4.3Å; F28-L32 WeakPolarHBondContact O-CB 3.29Å; F28-L32 PolarHBondContact O-N 2.77Å
29	V	73.7	Confident	60.8	Low	74 Å²	74	103.5 Å²	103.5	45%	0.448	58%	0.58	S	S	.	*	H	α-helix	trans	-67.2	-39.9	174.2	-179.8	0	0	0	0	111	N25 P26 L32 A33	N25-V29 PolarHBondContact O-N 3.16Å; P26-V29 PolarHBondContact O-N 2.74Å; V29-L32 PolarHBondContact O-N 3.38Å; V29-A33 VanDerWaalsContact O-CB 3.25Å; V29-A33 WeakPolarHBondContact O-CB 3.47Å; V29-A33 PolarHBondContact O-N 3.34Å
30	V	74.9	Confident	61.2	Low	83 Å²	83	98.4 Å²	98.4	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-40.7	175.7	169.4	0	0	0	0	111.5	P26 A33 L34	P26-V30 WeakPolarHBondContact O-CB 3.34Å; P26-V30 WeakPolarHBondContact O-CG2 3.4Å; P26-V30 PolarHBondContact O-N 3.36Å; V30-A33 PolarHBondContact O-N 3.41Å; V30-L34 HydrophobicContact CG1-CD1 3.75Å; V30-L34 VanDerWaalsContact O-CB 3.27Å; V30-L34 WeakPolarHBondContact O-CB 3.04Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 2.8Å
31	L	74.8	Confident	61.4	Low	91 Å²	91	91 Å²	91	48%	0.476	55%	0.547	S	S	.	.	H	α-helix	trans	-65.1	-39.7	173.6	-91.9	154.3	0	0	0	112.3	L27 F28 L34 Q35	L27-L31 HydrophobicContact CD2-CD1 4.38Å; L27-L31 WeakPolarHBondContact O-CB 3.17Å; L27-L31 PolarHBondContact O-N 2.8Å; F28-L31 PolarHBondContact O-N 3.46Å; L31-L34 PolarHBondContact O-N 3.46Å; L31-Q35 WeakPolarHBondContact O-CB 3.27Å; L31-Q35 VanDerWaalsContact O-CG 3.32Å; L31-Q35 WeakPolarHBondContact O-CG 3.46Å; L31-Q35 PolarHBondContact O-N 2.78Å
32	L	74.1	Confident	61.4	Low	84 Å²	84	95 Å²	95	44%	0.44	56%	0.555	S	S	.	*	H	α-helix	trans	-67.4	-40.6	175.2	-149.4	97.4	0	0	0	111.1	F28 V29 Q35 I36	F28-L32 HydrophobicContact CE1-CD1 4.3Å; F28-L32 WeakPolarHBondContact O-CB 3.29Å; F28-L32 PolarHBondContact O-N 2.77Å; V29-L32 PolarHBondContact O-N 3.38Å; L32-Q35 PolarHBondContact O-N 2.84Å; L32-I36 HydrophobicContact CD2-CD1 4.1Å; L32-I36 HydrophobicContact CG-CD1 4.39Å; L32-I36 WeakPolarHBondContact O-CB 3.25Å; L32-I36 WeakPolarHBondContact O-CD1 3.37Å; L32-I36 WeakPolarHBondContact O-CG1 3.43Å; L32-I36 PolarHBondContact O-N 2.9Å
33	A	69.2	Low	61.2	Low	45 Å²	45	96.5 Å²	96.5	37%	0.372	56%	0.557	S	S	.	*	H	α-helix	trans	-66.9	-39.6	175.4	0	0	0	0	0	111.9	V29 V30 I36 L37	V29-A33 VanDerWaalsContact O-CB 3.25Å; V29-A33 WeakPolarHBondContact O-CB 3.47Å; V29-A33 PolarHBondContact O-N 3.34Å; V30-A33 PolarHBondContact O-N 3.41Å; A33-I36 PolarHBondContact O-N 2.96Å; A33-L37 VanDerWaalsContact O-CB 3.29Å; A33-L37 WeakPolarHBondContact O-CB 3.36Å; A33-L37 PolarHBondContact O-N 2.9Å
34	L	68.7	Low	60.9	Low	94 Å²	94	100 Å²	100	49%	0.492	56%	0.559	S	S	.	*	H	α-helix	trans	-65.7	-40.1	172	-87.2	156.9	0	0	0	111.2	V30 L31 L37 V38	V30-L34 HydrophobicContact CG1-CD1 3.75Å; V30-L34 VanDerWaalsContact O-CB 3.27Å; V30-L34 WeakPolarHBondContact O-CB 3.04Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 2.8Å; L31-L34 PolarHBondContact O-N 3.46Å; L34-L37 PolarHBondContact O-N 2.97Å; L34-V38 VanDerWaalsContact O-CB 3.22Å; L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 WeakPolarHBondContact O-CG2 3.32Å; L34-V38 PolarHBondContact O-N 3.35Å
35	Q	65.8	Low	60.7	Low	124 Å²	124	98.5 Å²	98.5	58%	0.579	55%	0.553	S	S	*	*	H	α-helix	trans	-67.1	-37.5	173.7	-78.3	-168.4	-14.1	0	0	111.8	L31 L32 V38 V39	L31-Q35 WeakPolarHBondContact O-CB 3.27Å; L31-Q35 VanDerWaalsContact O-CG 3.32Å; L31-Q35 WeakPolarHBondContact O-CG 3.46Å; L31-Q35 PolarHBondContact O-N 2.78Å; L32-Q35 PolarHBondContact O-N 2.84Å; Q35-V38 PolarHBondContact O-N 2.88Å; Q35-V39 VanDerWaalsContact O-CB 3.27Å; Q35-V39 WeakPolarHBondContact O-CB 3.44Å; Q35-V39 WeakPolarHBondContact O-CG2 3.4Å; Q35-V39 PolarHBondContact O-N 3.03Å
36	I	63.5	Low	60.8	Low	107 Å²	107	99.4 Å²	99.4	55%	0.549	55%	0.554	S	S	.	*	H	α-helix	trans	-69.1	-37.3	173.5	-68.4	163	0	0	0	110.9	L32 A33 A40	L32-I36 HydrophobicContact CD2-CD1 4.1Å; L32-I36 HydrophobicContact CG-CD1 4.39Å; L32-I36 WeakPolarHBondContact O-CB 3.25Å; L32-I36 WeakPolarHBondContact O-CD1 3.37Å; L32-I36 WeakPolarHBondContact O-CG1 3.43Å; L32-I36 PolarHBondContact O-N 2.9Å; A33-I36 PolarHBondContact O-N 2.96Å; I36-A40 WeakPolarHBondContact O-CA 3.22Å; I36-A40 WeakPolarHBondContact O-CB 3.49Å; I36-A40 PolarHBondContact O-N 3.47Å
37	L	58.8	Low	61.2	Low	121 Å²	121	98.1 Å²	98.1	63%	0.634	55%	0.545	S	S	*	.	H	α-helix	trans	-69	-35.3	173.5	-93.3	150	0	0	0	112.3	A33 L34 G41	A33-L37 VanDerWaalsContact O-CB 3.29Å; A33-L37 WeakPolarHBondContact O-CB 3.36Å; A33-L37 PolarHBondContact O-N 2.9Å; L34-L37 PolarHBondContact O-N 2.97Å; L37-G41 WeakPolarHBondContact O-CA 3.4Å; L37-G41 PolarHBondContact O-N 3.41Å
38	V	56.8	Low	62.1	Low	82 Å²	82	94.5 Å²	94.5	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-74	-38.8	175.2	168	0	0	0	0	110.4	L34 Q35 G41 L42	L34-V38 VanDerWaalsContact O-CB 3.22Å; L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 WeakPolarHBondContact O-CG2 3.32Å; L34-V38 PolarHBondContact O-N 3.35Å; Q35-V38 PolarHBondContact O-N 2.88Å; V38-G41 CarbonylContact O-C 3.57Å; V38-G41 PolarHBondContact O-N 3.46Å; V38-L42 HydrophobicContact CG1-CD1 3.54Å; V38-L42 HydrophobicContact CG1-CG 4.36Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 WeakPolarHBondContact O-CD1 3.13Å; V38-L42 WeakPolarHBondContact O-CG 3.39Å; V38-L42 PolarHBondContact O-N 3.12Å
39	V	54.6	Low	63	Low	89 Å²	89	89.6 Å²	89.6	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-71.5	-38.9	173.6	172.5	0	0	0	0	111.2	Q35 G41 L42 V43	Q35-V39 VanDerWaalsContact O-CB 3.27Å; Q35-V39 WeakPolarHBondContact O-CB 3.44Å; Q35-V39 WeakPolarHBondContact O-CG2 3.4Å; Q35-V39 PolarHBondContact O-N 3.03Å; V39-G41 VanDerWaalsContact C-N 3.3Å; V39-L42 PolarHBondContact O-N 3.1Å; V39-V43 WeakPolarHBondContact O-CG2 3.27Å; V39-V43 PolarHBondContact O-N 2.86Å
40	A	52.3	Low	63.6	Low	70 Å²	70	91.9 Å²	91.9	58%	0.579	53%	0.528	S	S	*	.	H	α-helix	trans	-69.3	-28.1	171.9	0	0	0	0	0	112.4	I36	I36-A40 WeakPolarHBondContact O-CA 3.22Å; I36-A40 WeakPolarHBondContact O-CB 3.49Å; I36-A40 PolarHBondContact O-N 3.47Å
41	G	47.9	Very low	64.4	Low	55 Å²	55	90.6 Å²	90.6	57%	0.567	52%	0.52	S	S	*	.	H	α-helix	trans	-80.6	-28.7	172.8	0	0	0	0	0	114	L37 V38 V39	L37-G41 WeakPolarHBondContact O-CA 3.4Å; L37-G41 PolarHBondContact O-N 3.41Å; V38-G41 CarbonylContact O-C 3.57Å; V38-G41 PolarHBondContact O-N 3.46Å; V39-G41 VanDerWaalsContact C-N 3.3Å
42	L	43.5	Very low	65.3	Low	136 Å²	136	86.8 Å²	86.8	71%	0.712	50%	0.501	S	S	*	.	H	α-helix	trans	-86.2	-25.5	178.3	-79.5	162.9	0	0	0	112.9	V38 V39 R44	V38-L42 HydrophobicContact CG1-CD1 3.54Å; V38-L42 HydrophobicContact CG1-CG 4.36Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 WeakPolarHBondContact O-CD1 3.13Å; V38-L42 WeakPolarHBondContact O-CG 3.39Å; V38-L42 PolarHBondContact O-N 3.12Å; V39-L42 PolarHBondContact O-N 3.1Å; L42-R44 VanDerWaalsContact C-N 3.25Å; L42-R44 PolarHBondContact O-N 2.96Å
43	V	43.8	Very low	66.3	Low	96 Å²	96	86 Å²	86	58%	0.582	50%	0.503	S	S	*	.			trans	-89.1	69.4	166.3	-170.7	0	0	0	0	108.2	V39 A45	V39-V43 WeakPolarHBondContact O-CG2 3.27Å; V39-V43 PolarHBondContact O-N 2.86Å; V43-A45 HydrophobicContact CG1-CB 4.29Å; V43-A45 PolarHBondContact O-N 2.82Å
44	R	44.7	Very low	67.4	Low	233 Å²	233	85.2 Å²	85.2	88%	0.879	49%	0.494	S	S	*	.			trans	-63.5	86.1	147.1	-99.7	-178.4	172.7	163.6	-1.3	105.2	L42 Q46	L42-R44 VanDerWaalsContact C-N 3.25Å; L42-R44 PolarHBondContact O-N 2.96Å; R44-Q46 PolarHBondContact O-N 2.03Å
45	A	48.6	Very low	68.5	Low	63 Å²	63	82.6 Å²	82.6	52%	0.521	48%	0.484	S	S	.	.			trans	-48.2	120.6	174.5	0	0	0	0	0	106.5	V43 T47	V43-A45 HydrophobicContact CG1-CB 4.29Å; V43-A45 PolarHBondContact O-N 2.82Å; A45-T47 HydrophobicContact CB-CG2 4.35Å; A45-T47 WeakPolarHBondContact O-CG2 3.32Å; A45-T47 PolarHBondContact O-N 2.83Å
46	Q	60.1	Low	69.2	Low	109 Å²	109	84.6 Å²	84.6	51%	0.509	50%	0.498	S	S	.	.			trans	-62.3	97.3	172.8	-128.5	141.9	0.7	0	0	105.7	R44 C48 F58 N78	R44-Q46 PolarHBondContact O-N 2.03Å; Q46-C48 PolarHBondContact O-N 3.39Å; Q46-F58 HydrophobicContact CB-CD2 4.07Å; Q46-F58 HydrophobicContact CB-CE2 3.7Å; Q46-F58 HydrophobicContact CB-CZ 3.98Å; Q46-F58 HydrophobicContact CG-CD2 4.01Å; Q46-F58 HydrophobicContact CG-CE2 4.13Å; Q46-F58 WeakPolarHBondContact O-CE1 3.11Å; Q46-F58 WeakPolarHBondContact O-CZ 3.31Å; Q46-N78 PolarHBondContact NE2-ND2 3.44Å; Q46-N78 VanDerWaalsContact NE2-ND2 3.17Å
47	T	71.8	Confident	70.2	Confident	68 Å²	68	86.9 Å²	86.9	42%	0.417	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-80.7	121.6	-164.1	48.3	0	0	0	0	109.1	A45 G74	A45-T47 HydrophobicContact CB-CG2 4.35Å; A45-T47 WeakPolarHBondContact O-CG2 3.32Å; A45-T47 PolarHBondContact O-N 2.83Å; T47-G74 CarbonylContact C-O 3.55Å; T47-G74 WeakPolarHBondContact CB-O 3.48Å; T47-G74 PolarHBondContact OG1-O 3.06Å
48	C	85.8	Confident	71.4	Confident	46 Å²	46	83.3 Å²	83.3	31%	0.311	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-88.3	128.2	153.9	-173	0	0	0	0	107.2	Q46 S50 C54 F58	Q46-C48 PolarHBondContact O-N 3.39Å; C48-S50 PolarHBondContact O-N 3.39Å; C48-C54 WeakPolarHBondContact CA-SG 3Å; C48-C54 HydrophobicContact CB-CB 3.71Å; C48-C54 WeakPolarHBondContact CB-SG 3.16Å; C48-C54 WeakPolarHBondContact SG-CB 3.49Å; C48-C54 PolarHBondContact SG-N 2.93Å; C48-C54 VanDerWaalsContact SG-N 3.44Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 3.39Å; C48-F58 HydrophobicContact CB-CD1 4.43Å; C48-F58 HydrophobicContact CB-CE1 4.1Å
49	P	88.9	Confident	73.1	Confident	12 Å²	12	81.3 Å²	81.3	8%	0.078	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-56.6	135.2	172.1	-20.7	30.4	0	0	0	110	V51 C52 P72 I75	P49-V51 HydrophobicContact CB-CG2 4.2Å; P49-V51 PolarHBondContact O-N 2.79Å; P49-V51 VanDerWaalsContact O-N 3.12Å; P49-C52 HydrophobicContact CB-CB 4.09Å; P49-C52 HydrophobicContact CG-CB 4.33Å; P49-C52 PolarHBondContact O-N 3.03Å; P49-P72 HydrophobicContact CB-CB 4.33Å; P49-I75 HydrophobicContact CG-CG1 4.08Å
50	S	88.1	Confident	75.1	Confident	122 Å²	122	81.5 Å²	81.5	85%	0.853	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.1	-176.8	57.1	0	0	0	0	113.4	C48 C52	C48-S50 PolarHBondContact O-N 3.39Å; S50-C52 VanDerWaalsContact C-N 3.3Å
51	V	91.6	Very high	77.2	Confident	55 Å²	55	78.2 Å²	78.2	33%	0.333	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.8	176.5	-66	0	0	0	0	113.3	P49 R66 L68 P72	P49-V51 HydrophobicContact CB-CG2 4.2Å; P49-V51 PolarHBondContact O-N 2.79Å; P49-V51 VanDerWaalsContact O-N 3.12Å; V51-R66 WeakPolarHBondContact O-CD 3.33Å; V51-R66 WeakPolarHBondContact O-CG 3.36Å; V51-R66 PolarHBondContact O-NE 3.1Å; V51-R66 PolarHBondContact O-NH1 3.37Å; V51-L68 HydrophobicContact CB-CD2 4.3Å; V51-L68 HydrophobicContact CG2-CD2 4.02Å; V51-P72 HydrophobicContact CG2-CB 4.1Å
52	C	93.8	Very high	79.5	Confident	12 Å²	12	78.2 Å²	78.2	8%	0.081	43%	0.428	C	S	.	.	S	Bend	trans	-113.9	164.2	-174.9	-60.1	0	0	0	0	112.1	P49 S50 V61 I62 C63	P49-C52 HydrophobicContact CB-CB 4.09Å; P49-C52 HydrophobicContact CG-CB 4.33Å; P49-C52 PolarHBondContact O-N 3.03Å; S50-C52 VanDerWaalsContact C-N 3.3Å; C52-V61 HydrophobicContact CB-CG1 4.12Å; C52-I62 WeakPolarHBondContact CA-O 3.49Å; C52-C63 HydrophobicContact CB-CB 4.13Å; C52-C63 WeakPolarHBondContact CB-SG 3.48Å; C52-C63 WeakPolarHBondContact SG-CB 3.5Å; C52-C63 CovalentContact SG-SG 2.03Å; C52-C63 PolarHBondContact SG-SG 2.91Å
53	S	93.7	Very high	82	Confident	67 Å²	67	71.8 Å²	71.8	47%	0.469	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.4	170.8	-178.4	0	0	0	0	109	I62	S53-I62 PolarHBondContact N-O 2.03Å; S53-I62 PolarHBondContact O-N 2.81Å
54	C	93.1	Very high	84.5	Confident	28 Å²	28	68.9 Å²	68.9	19%	0.189	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.4	-178.1	-52.7	0	0	0	0	111.1	C48 F58 K60 V61	C48-C54 WeakPolarHBondContact CA-SG 3Å; C48-C54 HydrophobicContact CB-CB 3.71Å; C48-C54 WeakPolarHBondContact CB-SG 3.16Å; C48-C54 WeakPolarHBondContact SG-CB 3.49Å; C48-C54 PolarHBondContact SG-N 2.93Å; C48-C54 VanDerWaalsContact SG-N 3.44Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 3.39Å; C54-F58 HydrophobicContact CB-CD1 3.98Å; C54-F58 HydrophobicContact CB-CE1 4.47Å; C54-K60 WeakPolarHBondContact CA-O 2.99Å; C54-V61 HydrophobicContact CB-CG2 4.5Å
55	S	91.9	Very high	86.9	Confident	40 Å²	40	67 Å²	67	28%	0.28	37%	0.37	S	S	.	.			trans	-66.6	161	169.5	62.4	0	0	0	0	112.4	Q57 F58 S59 K60	S55-Q57 PolarHBondContact O-N 3.43Å; S55-Q57 VanDerWaalsContact O-N 3.1Å; S55-F58 WeakPolarHBondContact O-CA 3.44Å; S55-F58 PolarHBondContact O-N 2.79Å; S55-F58 PolarHBondContact OG-N 2.78Å; S55-S59 PolarHBondContact OG-N 3.36Å; S55-S59 PolarHBondContact OG-OG 2.77Å; S55-K60 PolarHBondContact N-O 3.38Å; S55-K60 PolarHBondContact OG-N 3.23Å; S55-K60 VanDerWaalsContact OG-N 3.07Å; S55-K60 PolarHBondContact OG-O 3.4Å
56	N	80.6	Confident	89.1	Confident	165 Å²	165	70.3 Å²	70.3	88%	0.882	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.3	-178.3	-64.9	-10.9	0	0	0	114.6
57	Q	83.3	Confident	90.8	Very high	156 Å²	156	67 Å²	67	73%	0.729	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	4.9	176.6	-65.9	-178.3	-4.2	0	0	113.2	S55 S59	S55-Q57 PolarHBondContact O-N 3.43Å; S55-Q57 VanDerWaalsContact O-N 3.1Å; Q57-S59 PolarHBondContact O-N 3.38Å
58	F	85.4	Confident	92	Very high	46 Å²	46	64.9 Å²	64.9	20%	0.202	35%	0.35	C	S	.	.	S	Bend	trans	55.6	19.7	-174.4	-50.9	-86.1	0	0	0	114.5	Q46 C48 C54 S55 T79	Q46-F58 HydrophobicContact CB-CD2 4.07Å; Q46-F58 HydrophobicContact CB-CE2 3.7Å; Q46-F58 HydrophobicContact CB-CZ 3.98Å; Q46-F58 HydrophobicContact CG-CD2 4.01Å; Q46-F58 HydrophobicContact CG-CE2 4.13Å; Q46-F58 WeakPolarHBondContact O-CE1 3.11Å; Q46-F58 WeakPolarHBondContact O-CZ 3.31Å; C48-F58 HydrophobicContact CB-CD1 4.43Å; C48-F58 HydrophobicContact CB-CE1 4.1Å; C54-F58 HydrophobicContact CB-CD1 3.98Å; C54-F58 HydrophobicContact CB-CE1 4.47Å; S55-F58 WeakPolarHBondContact O-CA 3.44Å; S55-F58 PolarHBondContact O-N 2.79Å; S55-F58 PolarHBondContact OG-N 2.78Å; F58-T79 WeakPolarHBondContact O-CA 3.22Å; F58-T79 PolarHBondContact O-N 2.76Å; F58-T79 PolarHBondContact O-OG1 3.35Å
59	S	92.2	Very high	92.5	Very high	39 Å²	39	71.4 Å²	71.4	27%	0.273	37%	0.368	S	S	.	.	S	Bend	trans	-77	-31.8	177.6	59.7	0	0	0	0	112.1	S55 Q57 R80 Y81	S55-S59 PolarHBondContact OG-N 3.36Å; S55-S59 PolarHBondContact OG-OG 2.77Å; Q57-S59 PolarHBondContact O-N 3.38Å; S59-R80 PolarHBondContact O-N 3.49Å; S59-Y81 PolarHBondContact O-N 3.26Å
60	K	95.8	Very high	92.7	Very high	94 Å²	94	74.6 Å²	74.6	41%	0.409	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.5	176.2	-162.3	178.7	-175.2	172.8	0	110.3	C54 S55 I62 Y81	C54-K60 WeakPolarHBondContact CA-O 2.99Å; S55-K60 PolarHBondContact N-O 3.38Å; S55-K60 PolarHBondContact OG-N 3.23Å; S55-K60 VanDerWaalsContact OG-N 3.07Å; S55-K60 PolarHBondContact OG-O 3.4Å; K60-I62 HydrophobicContact CD-CD1 4.2Å; K60-I62 HydrophobicContact CD-CG1 4.49Å; K60-I62 HydrophobicContact CG-CD1 4.45Å; K60-I62 HydrophobicContact CG-CG1 4.24Å; K60-Y81 HydrophobicContact CD-CD1 4.12Å; K60-Y81 HydrophobicContact CD-CE1 4.35Å; K60-Y81 VanDerWaalsContact CE-CE1 3.41Å; K60-Y81 HydrophobicContact CG-CD1 3.39Å; K60-Y81 HydrophobicContact CG-CE1 4Å; K60-Y81 HydrophobicContact CG-CG 4.08Å
61	V	96	Very high	93.1	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.3	177.1	-179.5	0	0	0	0	109.3	C52 C54 I75 T79 Y81 L82 N83	C52-V61 HydrophobicContact CB-CG1 4.12Å; C54-V61 HydrophobicContact CB-CG2 4.5Å; V61-I75 HydrophobicContact CG2-CG2 4.49Å; V61-T79 HydrophobicContact CB-CG2 4.09Å; V61-T79 HydrophobicContact CG2-CG2 3.7Å; V61-T79 WeakPolarHBondContact CG2-OG1 3.17Å; V61-Y81 PolarHBondContact N-O 2.84Å; V61-L82 HydrophobicContact CB-CD1 3.9Å; V61-L82 HydrophobicContact CG1-CD1 3.8Å; V61-N83 PolarHBondContact O-N 2.81Å
62	I	96.9	Very high	93.1	Very high	56 Å²	56	68 Å²	68	29%	0.287	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.6	-172.9	-54.1	176.3	0	0	0	109.1	C52 S53 K60 T64	C52-I62 WeakPolarHBondContact CA-O 3.49Å; S53-I62 PolarHBondContact N-O 2.03Å; S53-I62 PolarHBondContact O-N 2.81Å; K60-I62 HydrophobicContact CD-CD1 4.2Å; K60-I62 HydrophobicContact CD-CG1 4.49Å; K60-I62 HydrophobicContact CG-CD1 4.45Å; K60-I62 HydrophobicContact CG-CG1 4.24Å; I62-T64 HydrophobicContact CG2-CG2 3.79Å
63	C	96.1	Very high	92.9	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.375	C	S	.	.			trans	-126.8	32.7	-174.2	-54.5	0	0	0	0	111.9	C52 L68 N83 L84 N87	C52-C63 HydrophobicContact CB-CB 4.13Å; C52-C63 WeakPolarHBondContact CB-SG 3.48Å; C52-C63 WeakPolarHBondContact SG-CB 3.5Å; C52-C63 CovalentContact SG-SG 2.03Å; C52-C63 PolarHBondContact SG-SG 2.91Å; C63-L68 HydrophobicContact CB-CD1 3.95Å; C63-N83 WeakPolarHBondContact CA-O 3.09Å; C63-N83 WeakPolarHBondContact CB-O 3.05Å; C63-N83 PolarHBondContact N-O 3.42Å; C63-L84 HydrophobicContact CB-CD2 3.61Å; C63-N87 PolarHBondContact O-ND2 3.13Å
64	T	96.6	Very high	92.6	Very high	36 Å²	36	73.4 Å²	73.4	22%	0.221	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	143.4	-168.1	63.6	0	0	0	0	113	I62 R66 N83 Q85	I62-T64 HydrophobicContact CG2-CG2 3.79Å; T64-R66 VanDerWaalsContact C-N 3.31Å; T64-R66 PolarHBondContact O-N 3.46Å; T64-N83 HydrophobicContact CG2-CB 4.29Å; T64-N83 VanDerWaalsContact CG2-CG 3.43Å; T64-N83 WeakPolarHBondContact CG2-OD1 3.16Å; T64-Q85 VanDerWaalsContact CA-O 3.31Å; T64-Q85 WeakPolarHBondContact CA-O 3.32Å; T64-Q85 HydrophobicContact CG2-CG 3.61Å
65	R	95.2	Very high	92.6	Very high	194 Å²	194	73.2 Å²	73.2	73%	0.732	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	40	176.5	-56.1	179.3	-169.9	169.8	3.5	113.7	Q85 D86	R65-Q85 PolarHBondContact N-O 2.91Å; R65-D86 WeakPolarHBondContact CA-O 3.1Å; R65-D86 HydrophobicContact CG-CB 3.54Å; R65-D86 PolarHBondContact N-O 2.81Å; R65-D86 IonicContact NE-OD2 2.68Å; R65-D86 PolarHBondContact NE-OD2 2.77Å
66	R	95.1	Very high	92.6	Very high	132 Å²	132	71.7 Å²	71.7	50%	0.498	36%	0.358	S	S	.	.	S	Bend	trans	-106.1	-0.8	-177.6	-63.7	-60.8	-177	123.7	0.3	113.3	V51 T64 L68 N87	V51-R66 WeakPolarHBondContact O-CD 3.33Å; V51-R66 WeakPolarHBondContact O-CG 3.36Å; V51-R66 PolarHBondContact O-NE 3.1Å; V51-R66 PolarHBondContact O-NH1 3.37Å; T64-R66 VanDerWaalsContact C-N 3.31Å; T64-R66 PolarHBondContact O-N 3.46Å; R66-L68 HydrophobicContact CB-CD1 4.25Å; R66-L68 HydrophobicContact CB-CD2 4.22Å; R66-L68 HydrophobicContact CB-CG 3.85Å; R66-L68 PolarHBondContact O-N 3.12Å; R66-N87 PolarHBondContact N-OD1 3.43Å
67	G	95.6	Very high	93.1	Very high	40 Å²	40	67.2 Å²	67.2	41%	0.412	34%	0.337	S	S	.	.			trans	67.8	25.1	-179	0	0	0	0	0	113.2	R69 N87	G67-R69 PolarHBondContact O-N 3.07Å; G67-N87 PolarHBondContact N-OD1 3.33Å; G67-N87 VanDerWaalsContact N-OD1 3.1Å
68	L	96	Very high	93.5	Very high	23 Å²	23	62.9 Å²	62.9	12%	0.12	32%	0.319	C	S	.	.			trans	-65.9	130.5	-177	-59.6	172.6	0	0	0	110.4	V51 C63 R66 P72 L84 N87 L88 I89	V51-L68 HydrophobicContact CB-CD2 4.3Å; V51-L68 HydrophobicContact CG2-CD2 4.02Å; C63-L68 HydrophobicContact CB-CD1 3.95Å; R66-L68 HydrophobicContact CB-CD1 4.25Å; R66-L68 HydrophobicContact CB-CD2 4.22Å; R66-L68 HydrophobicContact CB-CG 3.85Å; R66-L68 PolarHBondContact O-N 3.12Å; L68-P72 HydrophobicContact CD1-CG 4.24Å; L68-L84 HydrophobicContact CD1-CD2 3.97Å; L68-N87 HydrophobicContact CB-CB 4.13Å; L68-N87 PolarHBondContact N-OD1 2.99Å; L68-N87 VanDerWaalsContact N-OD1 3.13Å; L68-L88 CarbonylContact O-C 3.24Å; L68-L88 VanDerWaalsContact O-CA 3.22Å; L68-L88 WeakPolarHBondContact O-CA 3.25Å; L68-L88 WeakPolarHBondContact O-CB 3.42Å; L68-L88 PolarHBondContact O-N 3.38Å; L68-I89 HydrophobicContact CB-CG1 4.45Å; L68-I89 WeakPolarHBondContact O-CG1 3.49Å; L68-I89 PolarHBondContact O-N 3.25Å; L68-I89 VanDerWaalsContact O-N 3.12Å
69	R	95.8	Very high	94	Very high	182 Å²	182	60.7 Å²	60.7	69%	0.687	31%	0.309	S	S	*	.	S	Bend	trans	-94	-20.5	175.9	-66	-177.1	177.1	178.6	-1.1	113.3	G67 L88 I89	G67-R69 PolarHBondContact O-N 3.07Å; R69-L88 HydrophobicContact CG-CB 4.42Å; R69-I89 WeakPolarHBondContact O-CA 3.4Å
70	D	94.8	Very high	94.2	Very high	80 Å²	80	65.2 Å²	65.2	43%	0.428	32%	0.32	S	S	.	.	S	Bend	trans	-136	163.7	179.5	-65.3	-89.6	0	0	0	109	K93	D70-K93 WeakPolarHBondContact OD1-CE 3.34Å; D70-K93 IonicContact OD1-NZ 3.36Å; D70-K93 PolarHBondContact OD1-NZ 3.27Å
71	V	94.9	Very high	94.3	Very high	22 Å²	22	63.2 Å²	63.2	13%	0.133	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-65	129.9	171.7	179.7	0	0	0	0	108.7	I75 L84 I92 F97	V71-I75 HydrophobicContact CG1-CD1 4.23Å; V71-L84 HydrophobicContact CG1-CD1 4.23Å; V71-I92 HydrophobicContact CG2-CD1 4.05Å; V71-F97 HydrophobicContact CG1-CD1 4.38Å; V71-F97 HydrophobicContact CG1-CE1 3.63Å; V71-F97 HydrophobicContact CG1-CZ 4.14Å; V71-F97 HydrophobicContact CG2-CE1 4.21Å; V71-F97 HydrophobicContact CG2-CZ 3.85Å
72	P	92.8	Very high	94.4	Very high	17 Å²	17	63.2 Å²	63.2	11%	0.11	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-71.4	136.6	-177.2	27.3	-32.2	0	0	0	111.4	P49 V51 L68 I75 L84	P49-P72 HydrophobicContact CB-CB 4.33Å; V51-P72 HydrophobicContact CG2-CB 4.1Å; L68-P72 HydrophobicContact CD1-CG 4.24Å; P72-I75 HydrophobicContact CG-CD1 4.35Å; P72-I75 VanDerWaalsContact O-CD1 3.32Å; P72-I75 WeakPolarHBondContact O-CD1 3.22Å; P72-I75 WeakPolarHBondContact O-CG1 3.48Å; P72-L84 HydrophobicContact CG-CD2 3.94Å
73	D	89.3	Confident	94.5	Very high	152 Å²	152	60.9 Å²	60.9	81%	0.813	30%	0.299	S	S	*	.	S	Bend	trans	-72.1	162.4	172.8	-65.1	-47.8	0	0	0	111.9
74	G	87.9	Confident	94.5	Very high	39 Å²	39	60.9 Å²	60.9	40%	0.402	30%	0.299	S	S	.	.			trans	79.4	22.8	173.3	0	0	0	0	0	114.7	T47	T47-G74 CarbonylContact C-O 3.55Å; T47-G74 WeakPolarHBondContact CB-O 3.48Å; T47-G74 PolarHBondContact OG1-O 3.06Å
75	I	92.4	Very high	94.6	Very high	25 Å²	25	61.7 Å²	61.7	13%	0.128	30%	0.3	C	S	.	.			trans	-70.2	129.8	171.9	-57.7	166.8	0	0	0	109.5	P49 V61 V71 P72 T79 L82 L100	P49-I75 HydrophobicContact CG-CG1 4.08Å; V61-I75 HydrophobicContact CG2-CG2 4.49Å; V71-I75 HydrophobicContact CG1-CD1 4.23Å; P72-I75 HydrophobicContact CG-CD1 4.35Å; P72-I75 VanDerWaalsContact O-CD1 3.32Å; P72-I75 WeakPolarHBondContact O-CD1 3.22Å; P72-I75 WeakPolarHBondContact O-CG1 3.48Å; I75-T79 HydrophobicContact CG2-CG2 4.39Å; I75-T79 WeakPolarHBondContact CG2-OG1 3.18Å; I75-L82 HydrophobicContact CD1-CD1 4.19Å; I75-L82 HydrophobicContact CD1-CD2 3.78Å; I75-L100 HydrophobicContact CB-CD2 4.25Å; I75-L100 HydrophobicContact CG2-CD1 4.11Å; I75-L100 HydrophobicContact CG2-CD2 3.75Å
76	S	91.8	Very high	94.7	Very high	8 Å²	8	54.7 Å²	54.7	6%	0.056	28%	0.277	C	S	.	.			trans	-60.8	140.9	179.9	179.2	0	0	0	0	113	N78 T79 L100	S76-N78 PolarHBondContact O-N 3.41Å; S76-N78 PolarHBondContact OG-N 3.49Å; S76-T79 VanDerWaalsContact O-CB 3.32Å; S76-T79 WeakPolarHBondContact O-CB 3.35Å; S76-T79 PolarHBondContact O-N 3.17Å; S76-T79 VanDerWaalsContact O-N 3.16Å; S76-T79 PolarHBondContact O-OG1 3.32Å; S76-L100 WeakPolarHBondContact O-CD2 3.5Å
77	T	91.8	Very high	94.8	Very high	71 Å²	71	48.6 Å²	48.6	44%	0.436	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.7	177.2	55	0	0	0	0	114.2	T79 H99 H102	T77-T79 VanDerWaalsContact C-N 3.3Å; T77-H99 HydrophobicContact CG2-CB 4.33Å; T77-H102 PolarHBondContact O-ND1 3.5Å
78	N	92.1	Very high	94.9	Very high	65 Å²	65	50.3 Å²	50.3	35%	0.348	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.1	177.8	-66.6	-11.5	0	0	0	112.9	Q46 S76 R80	Q46-N78 PolarHBondContact NE2-ND2 3.44Å; Q46-N78 VanDerWaalsContact NE2-ND2 3.17Å; S76-N78 PolarHBondContact O-N 3.41Å; S76-N78 PolarHBondContact OG-N 3.49Å; N78-R80 PolarHBondContact O-N 3.46Å
79	T	95.2	Very high	95	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.			trans	-63.4	126.2	-178.9	-52.9	0	0	0	0	110.5	F58 V61 I75 S76 T77 Y81 L82 H102 L103	F58-T79 WeakPolarHBondContact O-CA 3.22Å; F58-T79 PolarHBondContact O-N 2.76Å; F58-T79 PolarHBondContact O-OG1 3.35Å; V61-T79 HydrophobicContact CB-CG2 4.09Å; V61-T79 HydrophobicContact CG2-CG2 3.7Å; V61-T79 WeakPolarHBondContact CG2-OG1 3.17Å; I75-T79 HydrophobicContact CG2-CG2 4.39Å; I75-T79 WeakPolarHBondContact CG2-OG1 3.18Å; S76-T79 VanDerWaalsContact O-CB 3.32Å; S76-T79 WeakPolarHBondContact O-CB 3.35Å; S76-T79 PolarHBondContact O-N 3.17Å; S76-T79 VanDerWaalsContact O-N 3.16Å; S76-T79 PolarHBondContact O-OG1 3.32Å; T77-T79 VanDerWaalsContact C-N 3.3Å; T79-Y81 WeakPolarHBondContact CG2-O 3.16Å; T79-L82 HydrophobicContact CG2-CB 4.17Å; T79-H102 CarbonylContact O-C 3.11Å; T79-L103 HydrophobicContact CG2-CD1 3.83Å; T79-L103 WeakPolarHBondContact O-CA 3.37Å; T79-L103 PolarHBondContact O-N 3.2Å
80	R	96.8	Very high	95.1	Very high	134 Å²	134	44.7 Å²	44.7	51%	0.506	23%	0.234	S	C	.	.	S	Bend	trans	-106.6	-28.8	173	-62.3	-169.2	179	-156.1	9	112.5	S59 N78 H102 E104 I105	S59-R80 PolarHBondContact O-N 3.49Å; N78-R80 PolarHBondContact O-N 3.46Å; R80-H102 HydrophobicContact CG-CB 4.44Å; R80-E104 WeakPolarHBondContact CD-OE1 3.29Å; R80-E104 IonicContact CZ-OE1 2.93Å; R80-E104 IonicContact NE-OE1 3.91Å; R80-E104 IonicContact NH1-OE1 2.78Å; R80-E104 PolarHBondContact NH1-OE1 3.32Å; R80-E104 VanDerWaalsContact NH1-OE1 3.08Å; R80-E104 PolarHBondContact O-N 3.34Å; R80-I105 PolarHBondContact O-N 2.66Å
81	Y	97.9	Very high	95.2	Very high	52 Å²	52	42.5 Å²	42.5	20%	0.204	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.6	178.1	176.5	-81.8	0	0	0	109.6	S59 K60 V61 T79 N83 I105 Q107	S59-Y81 PolarHBondContact O-N 3.26Å; K60-Y81 HydrophobicContact CD-CD1 4.12Å; K60-Y81 HydrophobicContact CD-CE1 4.35Å; K60-Y81 VanDerWaalsContact CE-CE1 3.41Å; K60-Y81 HydrophobicContact CG-CD1 3.39Å; K60-Y81 HydrophobicContact CG-CE1 4Å; K60-Y81 HydrophobicContact CG-CG 4.08Å; V61-Y81 PolarHBondContact N-O 2.84Å; T79-Y81 WeakPolarHBondContact CG2-O 3.16Å; Y81-N83 HydrophobicContact CD1-CB 4.39Å; Y81-N83 HydrophobicContact CE1-CB 3.57Å; Y81-N83 PolarHBondContact OH-ND2 3.29Å; Y81-I105 HydrophobicContact CD2-CB 3.83Å; Y81-I105 HydrophobicContact CD2-CD1 4.07Å; Y81-I105 HydrophobicContact CD2-CG2 3.79Å; Y81-I105 HydrophobicContact CE2-CB 4.49Å; Y81-I105 HydrophobicContact CE2-CG2 3.94Å; Y81-Q107 PolarHBondContact OH-OE1 3Å
82	L	97.8	Very high	95.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.4	176.8	177.6	59.2	0	0	0	109.7	V61 I75 T79 L84 F97 L100 L103 I105 L106 Q107	V61-L82 HydrophobicContact CB-CD1 3.9Å; V61-L82 HydrophobicContact CG1-CD1 3.8Å; I75-L82 HydrophobicContact CD1-CD1 4.19Å; I75-L82 HydrophobicContact CD1-CD2 3.78Å; T79-L82 HydrophobicContact CG2-CB 4.17Å; L82-L84 HydrophobicContact CD1-CD1 4.4Å; L82-L84 HydrophobicContact CD1-CG 4.21Å; L82-L84 HydrophobicContact CD2-CD1 3.88Å; L82-L84 HydrophobicContact CG-CD1 4.01Å; L82-L84 HydrophobicContact CG-CG 4.16Å; L82-F97 HydrophobicContact CD2-CD1 4.23Å; L82-F97 HydrophobicContact CD2-CE1 3.96Å; L82-L100 HydrophobicContact CD2-CD1 4.12Å; L82-L103 HydrophobicContact CB-CD1 3.68Å; L82-L103 HydrophobicContact CB-CD2 4.47Å; L82-I105 PolarHBondContact N-O 3.16Å; L82-L106 HydrophobicContact CB-CD1 4.17Å; L82-L106 HydrophobicContact CD2-CD1 3.84Å; L82-L106 HydrophobicContact CG-CD1 4.07Å; L82-Q107 PolarHBondContact O-N 3.06Å
83	N	98.1	Very high	95.5	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112	178.6	-175.7	-15.3	0	0	0	111.4	V61 C63 T64 Y81 Q85 Q107	V61-N83 PolarHBondContact O-N 2.81Å; C63-N83 WeakPolarHBondContact CA-O 3.09Å; C63-N83 WeakPolarHBondContact CB-O 3.05Å; C63-N83 PolarHBondContact N-O 3.42Å; T64-N83 HydrophobicContact CG2-CB 4.29Å; T64-N83 VanDerWaalsContact CG2-CG 3.43Å; T64-N83 WeakPolarHBondContact CG2-OD1 3.16Å; Y81-N83 HydrophobicContact CD1-CB 4.39Å; Y81-N83 HydrophobicContact CE1-CB 3.57Å; Y81-N83 PolarHBondContact OH-ND2 3.29Å; N83-Q85 PolarHBondContact ND2-NE2 2.87Å; N83-Q85 VanDerWaalsContact OD1-CB 3.32Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.15Å; N83-Q85 WeakPolarHBondContact OD1-CG 3.26Å; N83-Q85 PolarHBondContact OD1-N 2.95Å; N83-Q107 HydrophobicContact CB-CB 4.46Å; N83-Q107 PolarHBondContact ND2-OE1 2.89Å
84	L	97.6	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.			trans	-115.7	21.6	178.9	-71.4	162.3	0	0	0	111.6	C63 L68 V71 P72 L82 N87 I89 F97 Q107 L108 N111	C63-L84 HydrophobicContact CB-CD2 3.61Å; L68-L84 HydrophobicContact CD1-CD2 3.97Å; V71-L84 HydrophobicContact CG1-CD1 4.23Å; P72-L84 HydrophobicContact CG-CD2 3.94Å; L82-L84 HydrophobicContact CD1-CD1 4.4Å; L82-L84 HydrophobicContact CD1-CG 4.21Å; L82-L84 HydrophobicContact CD2-CD1 3.88Å; L82-L84 HydrophobicContact CG-CD1 4.01Å; L82-L84 HydrophobicContact CG-CG 4.16Å; L84-N87 PolarHBondContact O-ND2 3.36Å; L84-I89 HydrophobicContact CB-CD1 4.31Å; L84-F97 HydrophobicContact CD1-CE1 4.32Å; L84-Q107 WeakPolarHBondContact CA-O 3.48Å; L84-Q107 WeakPolarHBondContact CB-O 3.41Å; L84-Q107 PolarHBondContact N-O 2.67Å; L84-L108 HydrophobicContact CB-CD2 3.99Å; L84-L108 HydrophobicContact CD1-CD2 3.78Å; L84-N111 PolarHBondContact O-ND2 3.38Å
85	Q	97.4	Very high	96.1	Very high	53 Å²	53	42.2 Å²	42.2	25%	0.248	21%	0.209	C	C	.	.			trans	-66.5	160.5	-177.6	81.9	-166.4	-32	0	0	113.4	T64 R65 N83 N87 S109	T64-Q85 VanDerWaalsContact CA-O 3.31Å; T64-Q85 WeakPolarHBondContact CA-O 3.32Å; T64-Q85 HydrophobicContact CG2-CG 3.61Å; R65-Q85 PolarHBondContact N-O 2.91Å; N83-Q85 PolarHBondContact ND2-NE2 2.87Å; N83-Q85 VanDerWaalsContact OD1-CB 3.32Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.15Å; N83-Q85 WeakPolarHBondContact OD1-CG 3.26Å; N83-Q85 PolarHBondContact OD1-N 2.95Å; Q85-N87 PolarHBondContact O-N 3.43Å; Q85-N87 PolarHBondContact O-ND2 2.97Å; Q85-S109 VanDerWaalsContact CA-O 3.26Å; Q85-S109 WeakPolarHBondContact CA-O 3.39Å
86	D	97.6	Very high	96.2	Very high	47 Å²	47	43 Å²	43	25%	0.251	22%	0.217	S	C	.	.	S	Bend	trans	54.4	50.3	178.6	-63.3	-47	0	0	0	112.2	R65 S109 K110	R65-D86 WeakPolarHBondContact CA-O 3.1Å; R65-D86 HydrophobicContact CG-CB 3.54Å; R65-D86 PolarHBondContact N-O 2.81Å; R65-D86 IonicContact NE-OD2 2.68Å; R65-D86 PolarHBondContact NE-OD2 2.77Å; D86-S109 PolarHBondContact N-O 2.83Å; D86-K110 WeakPolarHBondContact CA-O 3.46Å; D86-K110 PolarHBondContact N-O 2.99Å; D86-K110 WeakPolarHBondContact OD1-CD 3.32Å
87	N	97.9	Very high	96.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-125.3	-173.2	176.8	-77.7	-61	0	0	0	111.2	C63 R66 G67 L68 L84 Q85 I89 K110 N111 H112	C63-N87 PolarHBondContact O-ND2 3.13Å; R66-N87 PolarHBondContact N-OD1 3.43Å; G67-N87 PolarHBondContact N-OD1 3.33Å; G67-N87 VanDerWaalsContact N-OD1 3.1Å; L68-N87 HydrophobicContact CB-CB 4.13Å; L68-N87 PolarHBondContact N-OD1 2.99Å; L68-N87 VanDerWaalsContact N-OD1 3.13Å; L84-N87 PolarHBondContact O-ND2 3.36Å; Q85-N87 PolarHBondContact O-N 3.43Å; Q85-N87 PolarHBondContact O-ND2 2.97Å; N87-I89 HydrophobicContact CB-CD1 4.47Å; N87-I89 HydrophobicContact CB-CG1 4.24Å; N87-K110 PolarHBondContact N-O 2.87Å; N87-N111 WeakPolarHBondContact CA-OD1 3.4Å; N87-N111 WeakPolarHBondContact CB-OD1 3.49Å; N87-N111 PolarHBondContact O-OD1 2.96Å; N87-H112 PolarHBondContact O-ND1 3.1Å
88	L	97.9	Very high	96.4	Very high	76 Å²	76	44.1 Å²	44.1	40%	0.398	22%	0.215	S	C	.	.			trans	-112	24.3	-175.6	-57.6	177.5	0	0	0	111.9	L68 R69 Q90 H112	L68-L88 CarbonylContact O-C 3.24Å; L68-L88 VanDerWaalsContact O-CA 3.22Å; L68-L88 WeakPolarHBondContact O-CA 3.25Å; L68-L88 WeakPolarHBondContact O-CB 3.42Å; L68-L88 PolarHBondContact O-N 3.38Å; R69-L88 HydrophobicContact CG-CB 4.42Å; L88-Q90 PolarHBondContact O-N 3.34Å; L88-H112 VanDerWaalsContact CD2-CE1 3.49Å; L88-H112 WeakPolarHBondContact CD2-CE1 3.45Å
89	I	98.1	Very high	96.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.			trans	-68.7	129.2	-175.8	-56.3	172	0	0	0	109.1	L68 R69 L84 N87 I92 N111 H112 I113	L68-I89 HydrophobicContact CB-CG1 4.45Å; L68-I89 WeakPolarHBondContact O-CG1 3.49Å; L68-I89 PolarHBondContact O-N 3.25Å; L68-I89 VanDerWaalsContact O-N 3.12Å; R69-I89 WeakPolarHBondContact O-CA 3.4Å; L84-I89 HydrophobicContact CB-CD1 4.31Å; N87-I89 HydrophobicContact CB-CD1 4.47Å; N87-I89 HydrophobicContact CB-CG1 4.24Å; I89-I92 HydrophobicContact CG2-CD1 3.68Å; I89-N111 HydrophobicContact CB-CB 4.41Å; I89-N111 WeakPolarHBondContact CB-OD1 3.15Å; I89-N111 WeakPolarHBondContact CG1-OD1 3.29Å; I89-N111 PolarHBondContact N-OD1 3.03Å; I89-H112 CarbonylContact O-C 3.57Å; I89-H112 VanDerWaalsContact O-CA 3.27Å; I89-H112 WeakPolarHBondContact O-CA 3.15Å; I89-H112 PolarHBondContact O-N 3.34Å; I89-I113 HydrophobicContact CB-CG1 4.47Å; I89-I113 HydrophobicContact CG2-CG1 4.32Å; I89-I113 WeakPolarHBondContact O-CG1 3.27Å; I89-I113 PolarHBondContact O-N 3.35Å
90	Q	97.1	Very high	96.3	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	23%	0.229	S	C	.	.			trans	-108.8	-34	-177.1	-65.8	-179.4	30.3	0	0	114.1	L88 H112 I113 R114	L88-Q90 PolarHBondContact O-N 3.34Å; Q90-H112 WeakPolarHBondContact CA-O 3.49Å; Q90-H112 HydrophobicContact CG-CB 4.02Å; Q90-I113 CarbonylContact O-C 3.56Å; Q90-I113 WeakPolarHBondContact O-CA 3.39Å; Q90-R114 VanDerWaalsContact O-CG 3.29Å; Q90-R114 WeakPolarHBondContact O-CG 3.32Å; Q90-R114 PolarHBondContact O-N 2.64Å
91	V	97.4	Very high	96.1	Very high	35 Å²	35	49.6 Å²	49.6	21%	0.212	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.1	-175.7	-178	0	0	0	0	108.4	S115 E117	V91-S115 WeakPolarHBondContact CA-O 3.07Å; V91-E117 HydrophobicContact CG1-CG 4.44Å
92	I	97.4	Very high	96	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.6	169	-50.1	-60.1	0	0	0	107.6	V71 I89 F97 L108 I113 S115 I116 E117 A120	V71-I92 HydrophobicContact CG2-CD1 4.05Å; I89-I92 HydrophobicContact CG2-CD1 3.68Å; I92-F97 HydrophobicContact CG2-CE2 3.68Å; I92-F97 HydrophobicContact CG2-CZ 4.37Å; I92-L108 HydrophobicContact CD1-CD1 4.29Å; I92-L108 HydrophobicContact CD1-CD2 4.14Å; I92-I113 HydrophobicContact CD1-CD1 3.98Å; I92-I113 HydrophobicContact CD1-CG1 4.38Å; I92-I113 HydrophobicContact CG1-CD1 4.16Å; I92-I113 HydrophobicContact CG1-CG2 4.21Å; I92-S115 PolarHBondContact N-O 3.19Å; I92-I116 HydrophobicContact CB-CG1 4.48Å; I92-I116 HydrophobicContact CB-CG2 4.26Å; I92-I116 HydrophobicContact CG1-CG1 4.3Å; I92-E117 PolarHBondContact O-N 3.04Å; I92-A120 HydrophobicContact CB-CB 4.35Å; I92-A120 HydrophobicContact CG2-CB 3.77Å
93	K	95.9	Very high	96	Very high	102 Å²	102	51.6 Å²	51.6	44%	0.443	25%	0.247	S	C	.	.			trans	-79.9	158.2	-174.3	-61	173.4	-170.4	157	0	111.4	D70 D95 S96 E117 A120	D70-K93 WeakPolarHBondContact OD1-CE 3.34Å; D70-K93 IonicContact OD1-NZ 3.36Å; D70-K93 PolarHBondContact OD1-NZ 3.27Å; K93-D95 PolarHBondContact O-N 2.93Å; K93-S96 PolarHBondContact N-OG 3.25Å; K93-S96 WeakPolarHBondContact O-CB 3.41Å; K93-S96 PolarHBondContact O-N 3.17Å; K93-S96 PolarHBondContact O-OG 3.03Å; K93-E117 VanDerWaalsContact CA-OE2 3.24Å; K93-E117 WeakPolarHBondContact CA-OE2 3.26Å; K93-A120 WeakPolarHBondContact O-CA 3.15Å
94	V	95.6	Very high	96	Very high	71 Å²	71	54.8 Å²	54.8	43%	0.43	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	139.1	171.1	-176.3	0	0	0	0	110.7	S96 E117 I118	V94-S96 PolarHBondContact O-N 3.44Å; V94-E117 HydrophobicContact CG2-CB 3.79Å; V94-E117 WeakPolarHBondContact CG2-OE2 3.46Å; V94-E117 PolarHBondContact N-OE2 3.22Å; V94-I118 WeakPolarHBondContact CG2-O 3.48Å
95	D	94.1	Very high	96.1	Very high	50 Å²	50	57.2 Å²	57.2	27%	0.267	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	13.5	173.8	-73.2	-9.2	0	0	0	115.7	K93 F97 K98 G119 N122	K93-D95 PolarHBondContact O-N 2.93Å; D95-F97 PolarHBondContact O-N 3.05Å; D95-K98 HydrophobicContact CB-CB 3.96Å; D95-K98 HydrophobicContact CB-CD 4.04Å; D95-K98 VanDerWaalsContact O-CB 3.32Å; D95-K98 WeakPolarHBondContact O-CB 3.43Å; D95-K98 PolarHBondContact O-N 3.4Å; D95-K98 WeakPolarHBondContact OD2-CD 3.44Å; D95-K98 IonicContact OD2-NZ 3.96Å; D95-K98 PolarHBondContact OD2-NZ 2.93Å; D95-G119 PolarHBondContact N-O 3.31Å; D95-G119 VanDerWaalsContact N-O 3.14Å; D95-N122 VanDerWaalsContact OD1-CB 3.26Å; D95-N122 WeakPolarHBondContact OD1-CB 3.41Å; D95-N122 PolarHBondContact OD1-ND2 3.47Å
96	S	94.4	Very high	96.1	Very high	42 Å²	42	54.7 Å²	54.7	29%	0.294	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.1	179.5	-66	0	0	0	0	113.3	K93 V94	K93-S96 PolarHBondContact N-OG 3.25Å; K93-S96 WeakPolarHBondContact O-CB 3.41Å; K93-S96 PolarHBondContact O-N 3.17Å; K93-S96 PolarHBondContact O-OG 3.03Å; V94-S96 PolarHBondContact O-N 3.44Å
97	F	94.8	Very high	96.2	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	14.4	-178.1	-50.8	-72.4	0	0	0	114.2	V71 L82 L84 I92 D95 H99 L100 L106 L108 F121 L124	V71-F97 HydrophobicContact CG1-CD1 4.38Å; V71-F97 HydrophobicContact CG1-CE1 3.63Å; V71-F97 HydrophobicContact CG1-CZ 4.14Å; V71-F97 HydrophobicContact CG2-CE1 4.21Å; V71-F97 HydrophobicContact CG2-CZ 3.85Å; L82-F97 HydrophobicContact CD2-CD1 4.23Å; L82-F97 HydrophobicContact CD2-CE1 3.96Å; L84-F97 HydrophobicContact CD1-CE1 4.32Å; I92-F97 HydrophobicContact CG2-CE2 3.68Å; I92-F97 HydrophobicContact CG2-CZ 4.37Å; D95-F97 PolarHBondContact O-N 3.05Å; F97-H99 PolarHBondContact O-N 3.11Å; F97-L100 HydrophobicContact CB-CD1 4.19Å; F97-L100 HydrophobicContact CD1-CD1 3.91Å; F97-L100 WeakPolarHBondContact O-CB 3.33Å; F97-L100 PolarHBondContact O-N 2.8Å; F97-L106 HydrophobicContact CD2-CD2 4.15Å; F97-L106 HydrophobicContact CE1-CD1 4.12Å; F97-L106 HydrophobicContact CE1-CD2 4.35Å; F97-L106 HydrophobicContact CE2-CD2 3.89Å; F97-L106 HydrophobicContact CG-CD2 4.48Å; F97-L106 HydrophobicContact CZ-CD1 4.24Å; F97-L106 HydrophobicContact CZ-CD2 4.01Å; F97-L108 HydrophobicContact CE2-CD1 4.4Å; F97-L108 HydrophobicContact CZ-CD1 4.24Å; F97-L108 HydrophobicContact CZ-CD2 4.39Å; F97-F121 AromaticContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CE1 4.32Å; F97-F121 HydrophobicContact CE2-CD1 4.09Å; F97-F121 AromaticContact CE2-CE1 3.98Å; F97-F121 HydrophobicContact CE2-CE1 3.98Å; F97-L124 HydrophobicContact CB-CD1 3.92Å; F97-L124 HydrophobicContact CB-CD2 3.72Å; F97-L124 HydrophobicContact CB-CG 3.94Å; F97-L124 HydrophobicContact CD2-CD1 4.27Å; F97-L124 HydrophobicContact CG-CD1 4.31Å
98	K	92.9	Very high	96.2	Very high	101 Å²	101	53.3 Å²	53.3	44%	0.439	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-30.4	-169.6	-175.9	-177.6	-158.5	154.6	0	115.6	D95 N122	D95-K98 HydrophobicContact CB-CB 3.96Å; D95-K98 HydrophobicContact CB-CD 4.04Å; D95-K98 VanDerWaalsContact O-CB 3.32Å; D95-K98 WeakPolarHBondContact O-CB 3.43Å; D95-K98 PolarHBondContact O-N 3.4Å; D95-K98 WeakPolarHBondContact OD2-CD 3.44Å; D95-K98 IonicContact OD2-NZ 3.96Å; D95-K98 PolarHBondContact OD2-NZ 2.93Å; K98-N122 VanDerWaalsContact CA-O 3.26Å; K98-N122 WeakPolarHBondContact CA-O 3.2Å
99	H	91.5	Very high	96.2	Very high	135 Å²	135	49.7 Å²	49.7	63%	0.625	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.5	-171.7	-57.2	52.6	0	0	0	112.2	T77 F97 R101	T77-H99 HydrophobicContact CG2-CB 4.33Å; F97-H99 PolarHBondContact O-N 3.11Å; H99-R101 PolarHBondContact O-N 3.38Å; H99-R101 VanDerWaalsContact O-N 3.14Å
100	L	94.1	Very high	96.2	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	26%	0.256	C	S	.	.			trans	-91.7	58.6	-171.5	-53.8	-178.4	0	0	0	112.3	I75 S76 L82 F97 H102 L103 L124	I75-L100 HydrophobicContact CB-CD2 4.25Å; I75-L100 HydrophobicContact CG2-CD1 4.11Å; I75-L100 HydrophobicContact CG2-CD2 3.75Å; S76-L100 WeakPolarHBondContact O-CD2 3.5Å; L82-L100 HydrophobicContact CD2-CD1 4.12Å; F97-L100 HydrophobicContact CB-CD1 4.19Å; F97-L100 HydrophobicContact CD1-CD1 3.91Å; F97-L100 WeakPolarHBondContact O-CB 3.33Å; F97-L100 PolarHBondContact O-N 2.8Å; L100-H102 PolarHBondContact O-N 3.21Å; L100-L103 HydrophobicContact CB-CB 4Å; L100-L103 HydrophobicContact CB-CD2 4.44Å; L100-L103 HydrophobicContact CD1-CD2 4.16Å; L100-L103 VanDerWaalsContact O-CB 3.31Å; L100-L103 WeakPolarHBondContact O-CB 3.32Å; L100-L103 PolarHBondContact O-N 2.98Å; L100-L103 VanDerWaalsContact O-N 3.1Å; L100-L124 HydrophobicContact CB-CD2 3.93Å; L100-L124 WeakPolarHBondContact O-CD2 3.26Å
101	R	93.6	Very high	96.2	Very high	174 Å²	174	50.6 Å²	50.6	66%	0.657	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.7	-174.8	-61	-177.5	-177.3	-179.9	0.1	114.6	H99 G123 S126	H99-R101 PolarHBondContact O-N 3.38Å; H99-R101 VanDerWaalsContact O-N 3.14Å; R101-G123 WeakPolarHBondContact CA-O 3.39Å; R101-S126 VanDerWaalsContact O-CB 3.24Å; R101-S126 WeakPolarHBondContact O-CB 3.44Å; R101-S126 PolarHBondContact O-OG 3.08Å
102	H	95.7	Very high	96.2	Very high	93 Å²	93	52.6 Å²	52.6	43%	0.431	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0.1	179.4	-55.8	105	0	0	0	113.3	T77 T79 R80 L100 E104	T77-H102 PolarHBondContact O-ND1 3.5Å; T79-H102 CarbonylContact O-C 3.11Å; R80-H102 HydrophobicContact CG-CB 4.44Å; L100-H102 PolarHBondContact O-N 3.21Å; H102-E104 PolarHBondContact O-N 2.82Å
103	L	97.4	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.245	C	C	.	.			trans	-67.1	123.7	-177.4	-166.1	71.8	0	0	0	109.8	T79 L82 L100 L106 L124 S126 L127	T79-L103 HydrophobicContact CG2-CD1 3.83Å; T79-L103 WeakPolarHBondContact O-CA 3.37Å; T79-L103 PolarHBondContact O-N 3.2Å; L82-L103 HydrophobicContact CB-CD1 3.68Å; L82-L103 HydrophobicContact CB-CD2 4.47Å; L100-L103 HydrophobicContact CB-CB 4Å; L100-L103 HydrophobicContact CB-CD2 4.44Å; L100-L103 HydrophobicContact CD1-CD2 4.16Å; L100-L103 VanDerWaalsContact O-CB 3.31Å; L100-L103 WeakPolarHBondContact O-CB 3.32Å; L100-L103 PolarHBondContact O-N 2.98Å; L100-L103 VanDerWaalsContact O-N 3.1Å; L103-L106 HydrophobicContact CD2-CB 3.96Å; L103-L106 HydrophobicContact CD2-CD1 4.24Å; L103-L106 HydrophobicContact CD2-CD2 4.36Å; L103-L106 HydrophobicContact CD2-CG 4.42Å; L103-L124 HydrophobicContact CB-CD2 3.97Å; L103-L124 HydrophobicContact CD2-CD2 3.78Å; L103-S126 CarbonylContact O-C 3Å; L103-L127 HydrophobicContact CD2-CD1 4.16Å; L103-L127 HydrophobicContact CG-CD1 4.2Å; L103-L127 WeakPolarHBondContact O-CA 3.48Å; L103-L127 PolarHBondContact O-N 2.79Å
104	E	97.9	Very high	96.4	Very high	74 Å²	74	55 Å²	55	35%	0.346	25%	0.251	S	S	.	.			trans	-104.4	-38.3	-179.8	-66.3	173.2	-157.8	0	0	110.7	R80 H102 N128 T129	R80-E104 WeakPolarHBondContact CD-OE1 3.29Å; R80-E104 IonicContact CZ-OE1 2.93Å; R80-E104 IonicContact NE-OE1 3.91Å; R80-E104 IonicContact NH1-OE1 2.78Å; R80-E104 PolarHBondContact NH1-OE1 3.32Å; R80-E104 VanDerWaalsContact NH1-OE1 3.08Å; R80-E104 PolarHBondContact O-N 3.34Å; H102-E104 PolarHBondContact O-N 2.82Å; E104-N128 WeakPolarHBondContact O-CA 3.33Å; E104-N128 WeakPolarHBondContact O-CB 3.38Å; E104-N128 PolarHBondContact O-N 3.06Å; E104-T129 PolarHBondContact O-N 3Å
105	I	98.6	Very high	96.4	Very high	52 Å²	52	54.3 Å²	54.3	27%	0.267	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.7	-176.7	-57.7	172.4	0	0	0	109.6	R80 Y81 L82 Q107	R80-I105 PolarHBondContact O-N 2.66Å; Y81-I105 HydrophobicContact CD2-CB 3.83Å; Y81-I105 HydrophobicContact CD2-CD1 4.07Å; Y81-I105 HydrophobicContact CD2-CG2 3.79Å; Y81-I105 HydrophobicContact CE2-CB 4.49Å; Y81-I105 HydrophobicContact CE2-CG2 3.94Å; L82-I105 PolarHBondContact N-O 3.16Å; I105-Q107 HydrophobicContact CG2-CG 4.03Å
106	L	98.4	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.1	175.5	178.2	54.5	0	0	0	110.2	L82 F97 L103 L108 F121 L124 L127 T129 L130 E131	L82-L106 HydrophobicContact CB-CD1 4.17Å; L82-L106 HydrophobicContact CD2-CD1 3.84Å; L82-L106 HydrophobicContact CG-CD1 4.07Å; F97-L106 HydrophobicContact CD2-CD2 4.15Å; F97-L106 HydrophobicContact CE1-CD1 4.12Å; F97-L106 HydrophobicContact CE1-CD2 4.35Å; F97-L106 HydrophobicContact CE2-CD2 3.89Å; F97-L106 HydrophobicContact CG-CD2 4.48Å; F97-L106 HydrophobicContact CZ-CD1 4.24Å; F97-L106 HydrophobicContact CZ-CD2 4.01Å; L103-L106 HydrophobicContact CD2-CB 3.96Å; L103-L106 HydrophobicContact CD2-CD1 4.24Å; L103-L106 HydrophobicContact CD2-CD2 4.36Å; L103-L106 HydrophobicContact CD2-CG 4.42Å; L106-L108 HydrophobicContact CD1-CD1 4.33Å; L106-L108 HydrophobicContact CD1-CG 4.07Å; L106-L108 HydrophobicContact CD2-CD1 3.9Å; L106-L108 HydrophobicContact CG-CD1 3.97Å; L106-L108 HydrophobicContact CG-CG 4.05Å; L106-F121 HydrophobicContact CD2-CD1 4.23Å; L106-F121 HydrophobicContact CD2-CE1 4.03Å; L106-L124 HydrophobicContact CD2-CD1 4.14Å; L106-L127 HydrophobicContact CB-CD1 3.74Å; L106-T129 PolarHBondContact N-O 3Å; L106-L130 HydrophobicContact CB-CD1 4.12Å; L106-L130 HydrophobicContact CD2-CD1 3.93Å; L106-L130 HydrophobicContact CG-CD1 4.01Å; L106-E131 PolarHBondContact O-N 3.18Å
107	Q	98.6	Very high	96.6	Very high	22 Å²	22	54.3 Å²	54.3	10%	0.103	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.5	177.8	-53.1	-172.8	-52.8	0	0	111.1	Y81 L82 N83 L84 I105 E131	Y81-Q107 PolarHBondContact OH-OE1 3Å; L82-Q107 PolarHBondContact O-N 3.06Å; N83-Q107 HydrophobicContact CB-CB 4.46Å; N83-Q107 PolarHBondContact ND2-OE1 2.89Å; L84-Q107 WeakPolarHBondContact CA-O 3.48Å; L84-Q107 WeakPolarHBondContact CB-O 3.41Å; L84-Q107 PolarHBondContact N-O 2.67Å; I105-Q107 HydrophobicContact CG2-CG 4.03Å; Q107-E131 HydrophobicContact CG-CG 4.47Å; Q107-E131 WeakPolarHBondContact CG-OE2 3.17Å; Q107-E131 VanDerWaalsContact NE2-CD 3.28Å; Q107-E131 PolarHBondContact NE2-OE1 3.18Å; Q107-E131 PolarHBondContact NE2-OE2 2.99Å
108	L	98.1	Very high	96.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	27%	0.274	C	S	.	.			trans	-118.8	17.8	177.9	-71.9	167.9	0	0	0	111.3	L84 I92 F97 L106 N111 I113 F121 L130 E131 L132 N135	L84-L108 HydrophobicContact CB-CD2 3.99Å; L84-L108 HydrophobicContact CD1-CD2 3.78Å; I92-L108 HydrophobicContact CD1-CD1 4.29Å; I92-L108 HydrophobicContact CD1-CD2 4.14Å; F97-L108 HydrophobicContact CE2-CD1 4.4Å; F97-L108 HydrophobicContact CZ-CD1 4.24Å; F97-L108 HydrophobicContact CZ-CD2 4.39Å; L106-L108 HydrophobicContact CD1-CD1 4.33Å; L106-L108 HydrophobicContact CD1-CG 4.07Å; L106-L108 HydrophobicContact CD2-CD1 3.9Å; L106-L108 HydrophobicContact CG-CD1 3.97Å; L106-L108 HydrophobicContact CG-CG 4.05Å; L108-N111 PolarHBondContact O-ND2 2.88Å; L108-I113 HydrophobicContact CB-CD1 3.9Å; L108-I113 HydrophobicContact CD2-CD1 4.47Å; L108-F121 HydrophobicContact CD1-CE1 4.16Å; L108-L130 HydrophobicContact CD1-CD1 4.47Å; L108-E131 CarbonylContact C-O 3.54Å; L108-E131 WeakPolarHBondContact CA-O 3.19Å; L108-E131 WeakPolarHBondContact CB-O 3.4Å; L108-E131 PolarHBondContact N-O 3.03Å; L108-L132 HydrophobicContact CB-CD2 3.84Å; L108-L132 HydrophobicContact CD1-CD2 4.02Å; L108-N135 PolarHBondContact O-ND2 2.92Å
109	S	97.9	Very high	96.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.255	C	S	.	.			trans	-68.1	159.3	-178.6	49.3	0	0	0	0	113.2	Q85 D86 N111 E131 F133	Q85-S109 VanDerWaalsContact CA-O 3.26Å; Q85-S109 WeakPolarHBondContact CA-O 3.39Å; D86-S109 PolarHBondContact N-O 2.83Å; S109-N111 VanDerWaalsContact C-N 3.29Å; S109-N111 PolarHBondContact O-N 3.39Å; S109-N111 PolarHBondContact O-ND2 2.94Å; S109-E131 PolarHBondContact N-O 3.1Å; S109-F133 CarbonylContact C-O 3.46Å; S109-F133 WeakPolarHBondContact CA-O 3.47Å; S109-F133 VanDerWaalsContact CB-CE1 3.49Å; S109-F133 WeakPolarHBondContact CB-O 3.4Å; S109-F133 WeakPolarHBondContact OG-CZ 3.31Å
110	K	97.9	Very high	96.9	Very high	99 Å²	99	49 Å²	49	43%	0.43	23%	0.225	S	C	.	.	S	Bend	trans	52	46	178.8	-62	-177.9	179.2	-178	0	113	D86 N87 F133 D134	D86-K110 WeakPolarHBondContact CA-O 3.46Å; D86-K110 PolarHBondContact N-O 2.99Å; D86-K110 WeakPolarHBondContact OD1-CD 3.32Å; N87-K110 PolarHBondContact N-O 2.87Å; K110-F133 PolarHBondContact N-O 3.5Å; K110-D134 VanDerWaalsContact CA-O 3.25Å; K110-D134 WeakPolarHBondContact CA-O 3.48Å; K110-D134 HydrophobicContact CB-CB 4.39Å; K110-D134 WeakPolarHBondContact CE-OD2 3.31Å; K110-D134 HydrophobicContact CG-CB 3.66Å; K110-D134 WeakPolarHBondContact CG-OD2 3.24Å; K110-D134 PolarHBondContact N-O 2.69Å
111	N	98.3	Very high	97	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.027	22%	0.224	C	C	.	.	S	Bend	trans	-114.6	-171.2	173.5	-86.1	-83	0	0	0	109.9	L84 N87 I89 L108 S109 I113 D134 N135	L84-N111 PolarHBondContact O-ND2 3.38Å; N87-N111 WeakPolarHBondContact CA-OD1 3.4Å; N87-N111 WeakPolarHBondContact CB-OD1 3.49Å; N87-N111 PolarHBondContact O-OD1 2.96Å; I89-N111 HydrophobicContact CB-CB 4.41Å; I89-N111 WeakPolarHBondContact CB-OD1 3.15Å; I89-N111 WeakPolarHBondContact CG1-OD1 3.29Å; I89-N111 PolarHBondContact N-OD1 3.03Å; L108-N111 PolarHBondContact O-ND2 2.88Å; S109-N111 VanDerWaalsContact C-N 3.29Å; S109-N111 PolarHBondContact O-N 3.39Å; S109-N111 PolarHBondContact O-ND2 2.94Å; N111-I113 HydrophobicContact CB-CD1 4.03Å; N111-I113 HydrophobicContact CB-CG1 3.82Å; N111-D134 PolarHBondContact N-O 3.18Å; N111-N135 WeakPolarHBondContact CA-OD1 3.47Å; N111-N135 WeakPolarHBondContact CB-OD1 3.4Å; N111-N135 PolarHBondContact N-OD1 2.96Å; N111-N135 PolarHBondContact O-OD1 2.93Å
112	H	97.9	Very high	97	Very high	77 Å²	77	42.6 Å²	42.6	36%	0.356	20%	0.204	S	C	.	.			trans	-108.3	28.3	176.6	-67.4	77.6	0	0	0	111.2	N87 L88 I89 Q90 R114	N87-H112 PolarHBondContact O-ND1 3.1Å; L88-H112 VanDerWaalsContact CD2-CE1 3.49Å; L88-H112 WeakPolarHBondContact CD2-CE1 3.45Å; I89-H112 CarbonylContact O-C 3.57Å; I89-H112 VanDerWaalsContact O-CA 3.27Å; I89-H112 WeakPolarHBondContact O-CA 3.15Å; I89-H112 PolarHBondContact O-N 3.34Å; Q90-H112 WeakPolarHBondContact CA-O 3.49Å; Q90-H112 HydrophobicContact CG-CB 4.02Å; H112-R114 PolarHBondContact O-N 3.45Å; H112-R114 VanDerWaalsContact O-N 3.11Å
113	I	98.4	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.			trans	-67.1	115.4	-169.8	-57.9	167.6	0	0	0	108.9	I89 Q90 I92 L108 N111 I116 L132 N135 R136 L137	I89-I113 HydrophobicContact CB-CG1 4.47Å; I89-I113 HydrophobicContact CG2-CG1 4.32Å; I89-I113 WeakPolarHBondContact O-CG1 3.27Å; I89-I113 PolarHBondContact O-N 3.35Å; Q90-I113 CarbonylContact O-C 3.56Å; Q90-I113 WeakPolarHBondContact O-CA 3.39Å; I92-I113 HydrophobicContact CD1-CD1 3.98Å; I92-I113 HydrophobicContact CD1-CG1 4.38Å; I92-I113 HydrophobicContact CG1-CD1 4.16Å; I92-I113 HydrophobicContact CG1-CG2 4.21Å; L108-I113 HydrophobicContact CB-CD1 3.9Å; L108-I113 HydrophobicContact CD2-CD1 4.47Å; N111-I113 HydrophobicContact CB-CD1 4.03Å; N111-I113 HydrophobicContact CB-CG1 3.82Å; I113-I116 HydrophobicContact CG2-CD1 4.3Å; I113-I116 HydrophobicContact CG2-CG1 3.83Å; I113-L132 HydrophobicContact CD1-CD2 4.15Å; I113-N135 HydrophobicContact CB-CB 4.28Å; I113-N135 VanDerWaalsContact CB-OD1 3.28Å; I113-N135 WeakPolarHBondContact CB-OD1 3.1Å; I113-N135 VanDerWaalsContact CG1-OD1 3.3Å; I113-N135 WeakPolarHBondContact CG1-OD1 3.45Å; I113-N135 PolarHBondContact N-OD1 3.25Å; I113-R136 CarbonylContact O-C 3.54Å; I113-R136 VanDerWaalsContact O-CA 3.26Å; I113-R136 WeakPolarHBondContact O-CA 3.34Å; I113-R136 WeakPolarHBondContact O-CB 3.37Å; I113-R136 PolarHBondContact O-N 2.91Å; I113-L137 HydrophobicContact CG2-CD2 4.02Å; I113-L137 PolarHBondContact O-N 2.9Å
114	R	97.3	Very high	96.7	Very high	152 Å²	152	40.1 Å²	40.1	57%	0.574	20%	0.202	S	C	*	.			trans	-105	-23.5	179	58.2	174	-179.7	-178.3	0.3	113	Q90 H112 R136	Q90-R114 VanDerWaalsContact O-CG 3.29Å; Q90-R114 WeakPolarHBondContact O-CG 3.32Å; Q90-R114 PolarHBondContact O-N 2.64Å; H112-R114 PolarHBondContact O-N 3.45Å; H112-R114 VanDerWaalsContact O-N 3.11Å; R114-R136 HydrophobicContact CB-CB 4.45Å
115	S	96.6	Very high	96.5	Very high	58 Å²	58	39.1 Å²	39.1	41%	0.406	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.4	-178.2	-175.5	0	0	0	0	110.8	V91 I92	V91-S115 WeakPolarHBondContact CA-O 3.07Å; I92-S115 PolarHBondContact N-O 3.19Å
116	I	97.5	Very high	96.3	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.4	174.5	-56.6	-174.4	0	0	0	106.3	I92 I113 A120 F121 L132 L137 P141 A144	I92-I116 HydrophobicContact CB-CG1 4.48Å; I92-I116 HydrophobicContact CB-CG2 4.26Å; I92-I116 HydrophobicContact CG1-CG1 4.3Å; I113-I116 HydrophobicContact CG2-CD1 4.3Å; I113-I116 HydrophobicContact CG2-CG1 3.83Å; I116-A120 HydrophobicContact CG2-CB 3.6Å; I116-F121 HydrophobicContact CD1-CE2 4.28Å; I116-F121 HydrophobicContact CD1-CZ 4.05Å; I116-F121 HydrophobicContact CG2-CD2 4.48Å; I116-F121 HydrophobicContact CG2-CE2 3.73Å; I116-F121 HydrophobicContact CG2-CZ 3.95Å; I116-L132 HydrophobicContact CD1-CD1 3.85Å; I116-L132 HydrophobicContact CD1-CD2 3.88Å; I116-L137 HydrophobicContact CD1-CD1 4.38Å; I116-L137 HydrophobicContact CD1-CD2 4.28Å; I116-L137 HydrophobicContact CG1-CD2 4.1Å; I116-P141 HydrophobicContact CB-CB 4.09Å; I116-P141 HydrophobicContact CB-CG 4.26Å; I116-P141 HydrophobicContact CD1-CG 4.06Å; I116-P141 HydrophobicContact CG1-CG 4.47Å; I116-A144 HydrophobicContact CB-CB 4.34Å; I116-A144 HydrophobicContact CG2-CB 3.52Å
117	E	95.7	Very high	96.3	Very high	78 Å²	78	38.2 Å²	38.2	36%	0.364	21%	0.205	S	C	.	.			trans	-71.1	154.2	-177.7	-66.3	178.1	174.7	0	0	111.6	V91 I92 K93 V94 G119 A120	V91-E117 HydrophobicContact CG1-CG 4.44Å; I92-E117 PolarHBondContact O-N 3.04Å; K93-E117 VanDerWaalsContact CA-OE2 3.24Å; K93-E117 WeakPolarHBondContact CA-OE2 3.26Å; V94-E117 HydrophobicContact CG2-CB 3.79Å; V94-E117 WeakPolarHBondContact CG2-OE2 3.46Å; V94-E117 PolarHBondContact N-OE2 3.22Å; E117-G119 PolarHBondContact O-N 3.48Å; E117-A120 WeakPolarHBondContact O-CB 3.28Å; E117-A120 PolarHBondContact O-N 3.2Å
118	I	94.8	Very high	96.3	Very high	122 Å²	122	39.6 Å²	39.6	63%	0.626	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	128.6	176.1	-60.7	170.6	0	0	0	108.5	V94 A120	V94-I118 WeakPolarHBondContact CG2-O 3.48Å; I118-A120 VanDerWaalsContact C-N 3.3Å; I118-A120 PolarHBondContact O-N 3.45Å
119	G	93.3	Very high	96.3	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.031	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	12.7	-175.1	0	0	0	0	0	115.2	D95 E117 F121 N122	D95-G119 PolarHBondContact N-O 3.31Å; D95-G119 VanDerWaalsContact N-O 3.14Å; E117-G119 PolarHBondContact O-N 3.48Å; G119-F121 PolarHBondContact O-N 2.89Å; G119-N122 VanDerWaalsContact CA-CG 3.49Å; G119-N122 WeakPolarHBondContact CA-ND2 3.49Å; G119-N122 VanDerWaalsContact CA-OD1 3.3Å; G119-N122 WeakPolarHBondContact CA-OD1 3.3Å; G119-N122 WeakPolarHBondContact O-CB 3.45Å; G119-N122 PolarHBondContact O-N 2.87Å; G119-N122 VanDerWaalsContact O-N 3.15Å; G119-N122 PolarHBondContact O-ND2 2.99Å
120	A	96.3	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.5	171.1	0	0	0	0	0	113.2	I92 K93 I116 E117 I118	I92-A120 HydrophobicContact CB-CB 4.35Å; I92-A120 HydrophobicContact CG2-CB 3.77Å; K93-A120 WeakPolarHBondContact O-CA 3.15Å; I116-A120 HydrophobicContact CG2-CB 3.6Å; E117-A120 WeakPolarHBondContact O-CB 3.28Å; E117-A120 PolarHBondContact O-N 3.2Å; I118-A120 VanDerWaalsContact C-N 3.3Å; I118-A120 PolarHBondContact O-N 3.45Å
121	F	96.5	Very high	96.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	16	-178.4	-57.6	-54.2	0	0	0	113.9	F97 L106 L108 I116 G119 L124 L130 L132 A144 F145 L148	F97-F121 AromaticContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CD1 3.95Å; F97-F121 HydrophobicContact CD2-CE1 4.32Å; F97-F121 HydrophobicContact CE2-CD1 4.09Å; F97-F121 AromaticContact CE2-CE1 3.98Å; F97-F121 HydrophobicContact CE2-CE1 3.98Å; L106-F121 HydrophobicContact CD2-CD1 4.23Å; L106-F121 HydrophobicContact CD2-CE1 4.03Å; L108-F121 HydrophobicContact CD1-CE1 4.16Å; I116-F121 HydrophobicContact CD1-CE2 4.28Å; I116-F121 HydrophobicContact CD1-CZ 4.05Å; I116-F121 HydrophobicContact CG2-CD2 4.48Å; I116-F121 HydrophobicContact CG2-CE2 3.73Å; I116-F121 HydrophobicContact CG2-CZ 3.95Å; G119-F121 PolarHBondContact O-N 2.89Å; F121-L124 HydrophobicContact CB-CD1 3.98Å; F121-L124 HydrophobicContact CD1-CD1 3.96Å; F121-L124 HydrophobicContact CG-CD1 4.41Å; F121-L124 WeakPolarHBondContact O-CB 3.35Å; F121-L124 WeakPolarHBondContact O-CG 3.5Å; F121-L124 PolarHBondContact O-N 2.86Å; F121-L130 HydrophobicContact CD2-CD2 4.42Å; F121-L130 HydrophobicContact CE1-CD1 4.24Å; F121-L130 HydrophobicContact CE1-CD2 4.46Å; F121-L130 HydrophobicContact CE2-CD2 3.95Å; F121-L130 HydrophobicContact CZ-CD1 4.29Å; F121-L130 HydrophobicContact CZ-CD2 3.98Å; F121-L132 HydrophobicContact CZ-CD1 4.47Å; F121-A144 HydrophobicContact CD2-CB 3.96Å; F121-A144 WeakPolarHBondContact CD2-O 3.36Å; F121-A144 HydrophobicContact CE2-CB 4.02Å; F121-F145 HydrophobicContact CD2-CD1 4.4Å; F121-F145 HydrophobicContact CE2-CD1 4.39Å; F121-F145 HydrophobicContact CE2-CE1 4.27Å; F121-L148 HydrophobicContact CB-CD1 4.22Å; F121-L148 HydrophobicContact CB-CD2 4.17Å; F121-L148 HydrophobicContact CD2-CD1 4.38Å
122	N	93.9	Very high	96.4	Very high	44 Å²	44	36.6 Å²	36.6	24%	0.235	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	147	176.3	-76.2	-14.3	0	0	0	111.7	D95 K98 G119 L124	D95-N122 VanDerWaalsContact OD1-CB 3.26Å; D95-N122 WeakPolarHBondContact OD1-CB 3.41Å; D95-N122 PolarHBondContact OD1-ND2 3.47Å; K98-N122 VanDerWaalsContact CA-O 3.26Å; K98-N122 WeakPolarHBondContact CA-O 3.2Å; G119-N122 VanDerWaalsContact CA-CG 3.49Å; G119-N122 WeakPolarHBondContact CA-ND2 3.49Å; G119-N122 VanDerWaalsContact CA-OD1 3.3Å; G119-N122 WeakPolarHBondContact CA-OD1 3.3Å; G119-N122 WeakPolarHBondContact O-CB 3.45Å; G119-N122 PolarHBondContact O-N 2.87Å; G119-N122 VanDerWaalsContact O-N 3.15Å; G119-N122 PolarHBondContact O-ND2 2.99Å; N122-L124 PolarHBondContact O-N 3.04Å
123	G	91.1	Very high	96.4	Very high	35 Å²	35	34.4 Å²	34.4	36%	0.361	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-7.6	177.3	0	0	0	0	0	115.4	R101 A125	R101-G123 WeakPolarHBondContact CA-O 3.39Å; G123-A125 PolarHBondContact O-N 3.37Å
124	L	95.7	Very high	96.4	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	20%	0.198	C	C	.	.			trans	-79.1	55.4	179.4	-65.8	-174	0	0	0	113.3	F97 L100 L103 L106 F121 N122 S126 L127 L148	F97-L124 HydrophobicContact CB-CD1 3.92Å; F97-L124 HydrophobicContact CB-CD2 3.72Å; F97-L124 HydrophobicContact CB-CG 3.94Å; F97-L124 HydrophobicContact CD2-CD1 4.27Å; F97-L124 HydrophobicContact CG-CD1 4.31Å; L100-L124 HydrophobicContact CB-CD2 3.93Å; L100-L124 WeakPolarHBondContact O-CD2 3.26Å; L103-L124 HydrophobicContact CB-CD2 3.97Å; L103-L124 HydrophobicContact CD2-CD2 3.78Å; L106-L124 HydrophobicContact CD2-CD1 4.14Å; F121-L124 HydrophobicContact CB-CD1 3.98Å; F121-L124 HydrophobicContact CD1-CD1 3.96Å; F121-L124 HydrophobicContact CG-CD1 4.41Å; F121-L124 WeakPolarHBondContact O-CB 3.35Å; F121-L124 WeakPolarHBondContact O-CG 3.5Å; F121-L124 PolarHBondContact O-N 2.86Å; N122-L124 PolarHBondContact O-N 3.04Å; L124-S126 PolarHBondContact O-N 2.78Å; L124-S126 VanDerWaalsContact O-N 3.14Å; L124-L127 HydrophobicContact CB-CB 4.02Å; L124-L127 HydrophobicContact CB-CD2 4.4Å; L124-L127 HydrophobicContact CD1-CD2 3.91Å; L124-L127 WeakPolarHBondContact O-CB 3.24Å; L124-L127 PolarHBondContact O-N 3.48Å; L124-L148 HydrophobicContact CB-CD2 4.01Å
125	A	92.9	Very high	96.5	Very high	54 Å²	54	28.9 Å²	28.9	45%	0.446	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.3	-173.5	0	0	0	0	0	115.2	G123 K150	G123-A125 PolarHBondContact O-N 3.37Å; A125-K150 VanDerWaalsContact O-CD 3.31Å; A125-K150 WeakPolarHBondContact O-CD 3.29Å
126	S	96.2	Very high	96.5	Very high	32 Å²	32	33.2 Å²	33.2	22%	0.224	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	1.8	179.3	-56.6	0	0	0	0	113.9	R101 L103 L124 N128	R101-S126 VanDerWaalsContact O-CB 3.24Å; R101-S126 WeakPolarHBondContact O-CB 3.44Å; R101-S126 PolarHBondContact O-OG 3.08Å; L103-S126 CarbonylContact O-C 3Å; L124-S126 PolarHBondContact O-N 2.78Å; L124-S126 VanDerWaalsContact O-N 3.14Å; S126-N128 PolarHBondContact O-N 3.35Å
127	L	97.9	Very high	96.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.			trans	-66.7	126.4	-172.1	-166	73.7	0	0	0	110.5	L103 L106 L124 L130 L148 K150 L151	L103-L127 HydrophobicContact CD2-CD1 4.16Å; L103-L127 HydrophobicContact CG-CD1 4.2Å; L103-L127 WeakPolarHBondContact O-CA 3.48Å; L103-L127 PolarHBondContact O-N 2.79Å; L106-L127 HydrophobicContact CB-CD1 3.74Å; L124-L127 HydrophobicContact CB-CB 4.02Å; L124-L127 HydrophobicContact CB-CD2 4.4Å; L124-L127 HydrophobicContact CD1-CD2 3.91Å; L124-L127 WeakPolarHBondContact O-CB 3.24Å; L124-L127 PolarHBondContact O-N 3.48Å; L127-L130 HydrophobicContact CD2-CB 4.26Å; L127-L148 HydrophobicContact CB-CD2 4.46Å; L127-L148 HydrophobicContact CD2-CD2 4.1Å; L127-K150 CarbonylContact O-C 3.34Å; L127-L151 HydrophobicContact CD2-CD1 4.04Å; L127-L151 HydrophobicContact CG-CD1 4.12Å; L127-L151 VanDerWaalsContact O-CA 3.29Å; L127-L151 WeakPolarHBondContact O-CA 3.33Å; L127-L151 PolarHBondContact O-N 3.48Å; L127-L151 VanDerWaalsContact O-N 3.12Å
128	N	98.2	Very high	96.7	Very high	50 Å²	50	31.9 Å²	31.9	27%	0.267	18%	0.177	S	C	.	.			trans	-112.6	-44.5	-175.9	-173.6	1.6	0	0	0	110.5	E104 S126 L151 K152 E153	E104-N128 WeakPolarHBondContact O-CA 3.33Å; E104-N128 WeakPolarHBondContact O-CB 3.38Å; E104-N128 PolarHBondContact O-N 3.06Å; S126-N128 PolarHBondContact O-N 3.35Å; N128-L151 WeakPolarHBondContact O-CD1 3.47Å; N128-K152 PolarHBondContact O-N 3.15Å; N128-K152 VanDerWaalsContact OD1-CB 3.25Å; N128-K152 WeakPolarHBondContact OD1-CB 3.46Å; N128-K152 WeakPolarHBondContact OD1-CD 3.46Å; N128-K152 VanDerWaalsContact OD1-CG 3.27Å; N128-K152 WeakPolarHBondContact OD1-CG 3.32Å; N128-E153 PolarHBondContact O-N 3.01Å
129	T	98.7	Very high	96.7	Very high	12 Å²	12	30 Å²	30	7%	0.074	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126	-178.7	-55.6	0	0	0	0	110.8	E104 L106 E131 E153	E104-T129 PolarHBondContact O-N 3Å; L106-T129 PolarHBondContact N-O 3Å; T129-E131 HydrophobicContact CG2-CG 4.3Å; T129-E153 WeakPolarHBondContact CA-O 3.48Å; T129-E153 HydrophobicContact CG2-CB 4.01Å; T129-E153 PolarHBondContact OG1-OE2 2.8Å
130	L	98.5	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.6	174.5	177.9	58.1	0	0	0	110.1	L106 L108 F121 L127 L132 F145 L151 E153 L154 W155	L106-L130 HydrophobicContact CB-CD1 4.12Å; L106-L130 HydrophobicContact CD2-CD1 3.93Å; L106-L130 HydrophobicContact CG-CD1 4.01Å; L108-L130 HydrophobicContact CD1-CD1 4.47Å; F121-L130 HydrophobicContact CD2-CD2 4.42Å; F121-L130 HydrophobicContact CE1-CD1 4.24Å; F121-L130 HydrophobicContact CE1-CD2 4.46Å; F121-L130 HydrophobicContact CE2-CD2 3.95Å; F121-L130 HydrophobicContact CZ-CD1 4.29Å; F121-L130 HydrophobicContact CZ-CD2 3.98Å; L127-L130 HydrophobicContact CD2-CB 4.26Å; L130-L132 HydrophobicContact CD1-CD1 4.44Å; L130-L132 HydrophobicContact CD1-CG 4.23Å; L130-L132 HydrophobicContact CD2-CD1 3.93Å; L130-L132 HydrophobicContact CG-CD1 4.04Å; L130-L132 HydrophobicContact CG-CG 4.14Å; L130-F145 HydrophobicContact CD2-CE1 4.2Å; L130-L151 HydrophobicContact CB-CD1 3.82Å; L130-E153 PolarHBondContact N-O 3.28Å; L130-L154 HydrophobicContact CB-CD1 4.2Å; L130-L154 HydrophobicContact CD2-CD1 3.96Å; L130-L154 HydrophobicContact CG-CD1 4.09Å; L130-W155 PolarHBondContact O-N 2.82Å
131	E	98.6	Very high	96.8	Very high	29 Å²	29	31 Å²	31	14%	0.136	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117	177.3	-65.4	171.9	-154.5	0	0	111.3	L106 Q107 L108 S109 T129 F133 W155	L106-E131 PolarHBondContact O-N 3.18Å; Q107-E131 HydrophobicContact CG-CG 4.47Å; Q107-E131 WeakPolarHBondContact CG-OE2 3.17Å; Q107-E131 VanDerWaalsContact NE2-CD 3.28Å; Q107-E131 PolarHBondContact NE2-OE1 3.18Å; Q107-E131 PolarHBondContact NE2-OE2 2.99Å; L108-E131 CarbonylContact C-O 3.54Å; L108-E131 WeakPolarHBondContact CA-O 3.19Å; L108-E131 WeakPolarHBondContact CB-O 3.4Å; L108-E131 PolarHBondContact N-O 3.03Å; S109-E131 PolarHBondContact N-O 3.1Å; T129-E131 HydrophobicContact CG2-CG 4.3Å; E131-F133 HydrophobicContact CB-CD1 3.94Å; E131-F133 HydrophobicContact CB-CE1 3.83Å; E131-F133 HydrophobicContact CG-CD1 4.28Å; E131-F133 HydrophobicContact CG-CE1 3.92Å; E131-F133 VanDerWaalsContact OE2-CE1 3.29Å; E131-F133 WeakPolarHBondContact OE2-CE1 3.41Å; E131-W155 HydrophobicContact CG-CB 4.4Å; E131-W155 HydrophobicContact CG-CG 4.16Å
132	L	98.3	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.			trans	-126.1	15.6	179.1	-73.9	168.4	0	0	0	112.1	L108 I113 I116 F121 L130 N135 L154 W155 L156 N159	L108-L132 HydrophobicContact CB-CD2 3.84Å; L108-L132 HydrophobicContact CD1-CD2 4.02Å; I113-L132 HydrophobicContact CD1-CD2 4.15Å; I116-L132 HydrophobicContact CD1-CD1 3.85Å; I116-L132 HydrophobicContact CD1-CD2 3.88Å; F121-L132 HydrophobicContact CZ-CD1 4.47Å; L130-L132 HydrophobicContact CD1-CD1 4.44Å; L130-L132 HydrophobicContact CD1-CG 4.23Å; L130-L132 HydrophobicContact CD2-CD1 3.93Å; L130-L132 HydrophobicContact CG-CD1 4.04Å; L130-L132 HydrophobicContact CG-CG 4.14Å; L132-N135 WeakPolarHBondContact O-CB 3.26Å; L132-N135 PolarHBondContact O-ND2 3.37Å; L132-L154 HydrophobicContact CD1-CD1 4.48Å; L132-W155 CarbonylContact C-O 3.57Å; L132-W155 WeakPolarHBondContact CA-O 3.44Å; L132-W155 PolarHBondContact N-O 3.14Å; L132-L156 HydrophobicContact CB-CD2 3.82Å; L132-L156 HydrophobicContact CD1-CD2 4.02Å; L132-N159 PolarHBondContact O-ND2 3.46Å
133	F	98.3	Very high	96.4	Very high	32 Å²	32	33.7 Å²	33.7	14%	0.14	20%	0.196	C	C	.	.			trans	-70.7	159.2	-178.5	65.3	-100	0	0	0	113.6	S109 K110 E131 N135 W155 R157	S109-F133 CarbonylContact C-O 3.46Å; S109-F133 WeakPolarHBondContact CA-O 3.47Å; S109-F133 VanDerWaalsContact CB-CE1 3.49Å; S109-F133 WeakPolarHBondContact CB-O 3.4Å; S109-F133 WeakPolarHBondContact OG-CZ 3.31Å; K110-F133 PolarHBondContact N-O 3.5Å; E131-F133 HydrophobicContact CB-CD1 3.94Å; E131-F133 HydrophobicContact CB-CE1 3.83Å; E131-F133 HydrophobicContact CG-CD1 4.28Å; E131-F133 HydrophobicContact CG-CE1 3.92Å; E131-F133 VanDerWaalsContact OE2-CE1 3.29Å; E131-F133 WeakPolarHBondContact OE2-CE1 3.41Å; F133-N135 PolarHBondContact O-ND2 2.93Å; F133-W155 HydrophobicContact CD1-CB 3.99Å; F133-W155 PolarHBondContact N-O 3.01Å; F133-R157 CarbonylContact C-O 3.2Å; F133-R157 WeakPolarHBondContact CA-O 3.36Å; F133-R157 HydrophobicContact CB-CB 4.37Å; F133-R157 HydrophobicContact CB-CG 3.39Å; F133-R157 VanDerWaalsContact CB-O 3.29Å; F133-R157 WeakPolarHBondContact CB-O 3.41Å; F133-R157 HydrophobicContact CG-CG 4.16Å
134	D	98.4	Very high	96.5	Very high	31 Å²	31	32.1 Å²	32.1	17%	0.166	18%	0.18	C	C	.	.	S	Bend	trans	55	49.8	-176.6	-60	-38.2	0	0	0	111.9	K110 N111 R157 N158	K110-D134 VanDerWaalsContact CA-O 3.25Å; K110-D134 WeakPolarHBondContact CA-O 3.48Å; K110-D134 HydrophobicContact CB-CB 4.39Å; K110-D134 WeakPolarHBondContact CE-OD2 3.31Å; K110-D134 HydrophobicContact CG-CB 3.66Å; K110-D134 WeakPolarHBondContact CG-OD2 3.24Å; K110-D134 PolarHBondContact N-O 2.69Å; N111-D134 PolarHBondContact N-O 3.18Å; D134-R157 PolarHBondContact N-O 3.01Å; D134-R157 IonicContact OD1-CZ 3.87Å; D134-R157 IonicContact OD1-NH1 2.8Å; D134-R157 IonicContact OD1-NH2 2.87Å; D134-R157 PolarHBondContact OD1-NH2 3.21Å; D134-R157 IonicContact OD2-CZ 2.73Å; D134-R157 IonicContact OD2-NH2 3.69Å; D134-R157 PolarHBondContact OD2-NH2 2.96Å; D134-N158 WeakPolarHBondContact CA-O 3.49Å; D134-N158 VanDerWaalsContact OD1-CB 3.31Å; D134-N158 WeakPolarHBondContact OD1-CB 3.47Å; D134-N158 PolarHBondContact OD1-ND2 3.14Å
135	N	98.6	Very high	96.3	Very high	5 Å²	5	32 Å²	32	3%	0.027	18%	0.179	C	C	.	.	S	Bend	trans	-120.1	-164.7	177.6	-88.4	-67.9	0	0	0	111.3	L108 N111 I113 L132 F133 N159 P160	L108-N135 PolarHBondContact O-ND2 2.92Å; N111-N135 WeakPolarHBondContact CA-OD1 3.47Å; N111-N135 WeakPolarHBondContact CB-OD1 3.4Å; N111-N135 PolarHBondContact N-OD1 2.96Å; N111-N135 PolarHBondContact O-OD1 2.93Å; I113-N135 HydrophobicContact CB-CB 4.28Å; I113-N135 VanDerWaalsContact CB-OD1 3.28Å; I113-N135 WeakPolarHBondContact CB-OD1 3.1Å; I113-N135 VanDerWaalsContact CG1-OD1 3.3Å; I113-N135 WeakPolarHBondContact CG1-OD1 3.45Å; I113-N135 PolarHBondContact N-OD1 3.25Å; L132-N135 WeakPolarHBondContact O-CB 3.26Å; L132-N135 PolarHBondContact O-ND2 3.37Å; F133-N135 PolarHBondContact O-ND2 2.93Å; N135-N159 VanDerWaalsContact CA-OD1 3.26Å; N135-N159 WeakPolarHBondContact CA-OD1 3.25Å; N135-N159 WeakPolarHBondContact CB-OD1 3.12Å; N135-N159 PolarHBondContact N-OD1 2.89Å; N135-N159 PolarHBondContact O-OD1 3.22Å; N135-P160 WeakPolarHBondContact O-CD 3.34Å
136	R	98.2	Very high	96	Very high	149 Å²	149	32.4 Å²	32.4	56%	0.562	17%	0.172	S	C	*	.			trans	-120.2	27.1	-176.7	-56.3	-63.5	-173.8	179.9	1.6	112.2	I113 R114 T138 N159	I113-R136 CarbonylContact O-C 3.54Å; I113-R136 VanDerWaalsContact O-CA 3.26Å; I113-R136 WeakPolarHBondContact O-CA 3.34Å; I113-R136 WeakPolarHBondContact O-CB 3.37Å; I113-R136 PolarHBondContact O-N 2.91Å; R114-R136 HydrophobicContact CB-CB 4.45Å; R136-T138 PolarHBondContact O-N 2.79Å; R136-N159 PolarHBondContact N-OD1 3.43Å
137	L	98.1	Very high	95.3	Very high	4 Å²	4	39 Å²	39	2%	0.021	19%	0.193	C	C	.	.			trans	-70.8	124.5	179.7	-63.4	172.3	0	0	0	110.7	I113 I116 L156 N159 P160 I161	I113-L137 HydrophobicContact CG2-CD2 4.02Å; I113-L137 PolarHBondContact O-N 2.9Å; I116-L137 HydrophobicContact CD1-CD1 4.38Å; I116-L137 HydrophobicContact CD1-CD2 4.28Å; I116-L137 HydrophobicContact CG1-CD2 4.1Å; L137-L156 HydrophobicContact CD1-CD2 3.97Å; L137-N159 HydrophobicContact CB-CB 4.29Å; L137-N159 WeakPolarHBondContact CB-OD1 3.2Å; L137-N159 PolarHBondContact N-OD1 3.27Å; L137-N159 VanDerWaalsContact N-OD1 3.1Å; L137-P160 CarbonylContact O-C 3.58Å; L137-P160 WeakPolarHBondContact O-CD 3.47Å; L137-P160 WeakPolarHBondContact O-CG 3.34Å; L137-I161 HydrophobicContact CB-CG1 4.5Å; L137-I161 WeakPolarHBondContact O-CG1 3.43Å; L137-I161 PolarHBondContact O-N 2.78Å
138	T	97.3	Very high	95	Very high	60 Å²	60	39.2 Å²	39.2	37%	0.368	19%	0.194	S	C	.	.	S	Bend	trans	-91.9	-19.7	176.5	53.5	0	0	0	0	113.1	R136 P160 I161 E162	R136-T138 PolarHBondContact O-N 2.79Å; T138-P160 WeakPolarHBondContact CA-O 3.35Å; T138-I161 WeakPolarHBondContact O-CA 3.42Å; T138-E162 PolarHBondContact O-N 3.23Å
139	T	96.6	Very high	94.6	Very high	81 Å²	81	40.8 Å²	40.8	50%	0.497	21%	0.209	S	C	.	.	S	Bend	trans	-139.3	160.7	178.3	59.5	0	0	0	0	110.7
140	I	96.6	Very high	94.5	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	23%	0.23	C	C	.	.			trans	-78.4	123.1	173.4	-65	163.6	0	0	0	108.8	N142 F145 I161 I164 A168 F169	I140-N142 VanDerWaalsContact C-N 3.26Å; I140-N142 PolarHBondContact O-N 3.37Å; I140-F145 HydrophobicContact CG2-CE2 3.8Å; I140-I161 HydrophobicContact CG1-CD1 4.07Å; I140-I161 HydrophobicContact CG1-CG2 4.28Å; I140-I164 HydrophobicContact CD1-CB 4.1Å; I140-I164 HydrophobicContact CD1-CG1 3.82Å; I140-I164 HydrophobicContact CD1-CG2 3.72Å; I140-A168 HydrophobicContact CD1-CB 4.17Å; I140-A168 HydrophobicContact CG2-CB 4.47Å; I140-F169 HydrophobicContact CD1-CE1 4.25Å; I140-F169 HydrophobicContact CD1-CE2 4.16Å; I140-F169 HydrophobicContact CD1-CZ 3.56Å; I140-F169 HydrophobicContact CG1-CZ 4.39Å; I140-F169 HydrophobicContact CG2-CD1 4.49Å; I140-F169 HydrophobicContact CG2-CE1 3.87Å; I140-F169 HydrophobicContact CG2-CZ 4.27Å
141	P	94	Very high	94.5	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.104	23%	0.23	C	C	.	.			trans	-82.7	68.3	-177.4	33.8	-34.3	0	0	0	111.1	I116 G143 A144 F145	I116-P141 HydrophobicContact CB-CB 4.09Å; I116-P141 HydrophobicContact CB-CG 4.26Å; I116-P141 HydrophobicContact CD1-CG 4.06Å; I116-P141 HydrophobicContact CG1-CG 4.47Å; P141-G143 VanDerWaalsContact C-N 3.26Å; P141-G143 PolarHBondContact O-N 3.12Å; P141-A144 HydrophobicContact CB-CB 3.99Å; P141-A144 HydrophobicContact CG-CB 4.44Å; P141-A144 WeakPolarHBondContact O-CB 3.26Å; P141-A144 PolarHBondContact O-N 3.46Å; P141-F145 HydrophobicContact CG-CE1 4.27Å; P141-F145 HydrophobicContact CG-CE2 4.3Å; P141-F145 HydrophobicContact CG-CZ 3.77Å
142	N	90.5	Very high	94.4	Very high	82 Å²	82	48.5 Å²	48.5	44%	0.439	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-51.9	-39.3	-177.7	64.5	-25	0	0	0	113.9	I140 A144 F145 A168	I140-N142 VanDerWaalsContact C-N 3.26Å; I140-N142 PolarHBondContact O-N 3.37Å; N142-A144 VanDerWaalsContact C-N 3.3Å; N142-A144 PolarHBondContact O-N 3.34Å; N142-F145 PolarHBondContact O-N 2.8Å; N142-A168 WeakPolarHBondContact CB-O 3.21Å
143	G	91.1	Very high	94.5	Very high	21 Å²	21	50.5 Å²	50.5	22%	0.216	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-71.1	-18.4	177	0	0	0	0	0	114.7	P141 F145	P141-G143 VanDerWaalsContact C-N 3.26Å; P141-G143 PolarHBondContact O-N 3.12Å; G143-F145 VanDerWaalsContact C-N 3.33Å
144	A	92.9	Very high	94.5	Very high	2 Å²	2	49 Å²	49	2%	0.017	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-76.4	-24.4	175.5	0	0	0	0	0	112.1	I116 F121 P141 N142 E146	I116-A144 HydrophobicContact CB-CB 4.34Å; I116-A144 HydrophobicContact CG2-CB 3.52Å; F121-A144 HydrophobicContact CD2-CB 3.96Å; F121-A144 WeakPolarHBondContact CD2-O 3.36Å; F121-A144 HydrophobicContact CE2-CB 4.02Å; P141-A144 HydrophobicContact CB-CB 3.99Å; P141-A144 HydrophobicContact CG-CB 4.44Å; P141-A144 WeakPolarHBondContact O-CB 3.26Å; P141-A144 PolarHBondContact O-N 3.46Å; N142-A144 VanDerWaalsContact C-N 3.3Å; N142-A144 PolarHBondContact O-N 3.34Å; A144-E146 PolarHBondContact O-N 2.81Å
145	F	91.7	Very high	94.5	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.8	13.1	-177	-51.1	-44.3	0	0	0	114.1	F121 L130 I140 P141 N142 G143 L148 L154 V172	F121-F145 HydrophobicContact CD2-CD1 4.4Å; F121-F145 HydrophobicContact CE2-CD1 4.39Å; F121-F145 HydrophobicContact CE2-CE1 4.27Å; L130-F145 HydrophobicContact CD2-CE1 4.2Å; I140-F145 HydrophobicContact CG2-CE2 3.8Å; P141-F145 HydrophobicContact CG-CE1 4.27Å; P141-F145 HydrophobicContact CG-CE2 4.3Å; P141-F145 HydrophobicContact CG-CZ 3.77Å; N142-F145 PolarHBondContact O-N 2.8Å; G143-F145 VanDerWaalsContact C-N 3.33Å; F145-L148 HydrophobicContact CB-CD1 4.31Å; F145-L148 HydrophobicContact CD1-CD1 4.19Å; F145-L154 HydrophobicContact CE1-CD1 4.34Å; F145-L154 HydrophobicContact CE2-CD2 4.33Å; F145-L154 HydrophobicContact CZ-CD1 4.43Å; F145-L154 HydrophobicContact CZ-CD2 4.12Å; F145-V172 HydrophobicContact CB-CG1 3.86Å
146	E	87.4	Confident	94.5	Very high	63 Å²	63	49.9 Å²	49.9	29%	0.294	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	136.4	178.6	-146.1	179.1	160.3	0	0	110.9	A144 L148	A144-E146 PolarHBondContact O-N 2.81Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.48Å
147	Y	80.4	Confident	94.5	Very high	172 Å²	172	45.7 Å²	45.7	68%	0.675	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	12.8	177.8	-46.5	-74.2	0	0	0	117	S149	Y147-S149 PolarHBondContact O-N 2.87Å
148	L	93.1	Very high	94.5	Very high	4 Å²	4	48 Å²	48	2%	0.021	24%	0.241	C	C	.	.			trans	-81.7	55.2	175.3	-65.4	-178.7	0	0	0	112.9	F121 L124 L127 F145 E146 K150 L151 V172	F121-L148 HydrophobicContact CB-CD1 4.22Å; F121-L148 HydrophobicContact CB-CD2 4.17Å; F121-L148 HydrophobicContact CD2-CD1 4.38Å; L124-L148 HydrophobicContact CB-CD2 4.01Å; L127-L148 HydrophobicContact CB-CD2 4.46Å; L127-L148 HydrophobicContact CD2-CD2 4.1Å; F145-L148 HydrophobicContact CB-CD1 4.31Å; F145-L148 HydrophobicContact CD1-CD1 4.19Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.48Å; L148-K150 PolarHBondContact O-N 2.92Å; L148-K150 VanDerWaalsContact O-N 3.15Å; L148-L151 HydrophobicContact CB-CB 4.09Å; L148-L151 HydrophobicContact CD1-CD2 4.16Å; L148-L151 WeakPolarHBondContact O-CB 3.43Å; L148-L151 PolarHBondContact O-N 3.49Å; L148-L151 VanDerWaalsContact O-N 3.15Å; L148-V172 HydrophobicContact CB-CG1 3.86Å
149	S	90.2	Very high	94.5	Very high	84 Å²	84	45.3 Å²	45.3	59%	0.587	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.8	-171.5	61.2	0	0	0	0	115.1	Y147 S174	Y147-S149 PolarHBondContact O-N 2.87Å; S149-S174 WeakPolarHBondContact O-CB 3.45Å; S149-S174 PolarHBondContact O-OG 3.1Å
150	K	95.8	Very high	94.6	Very high	118 Å²	118	42.6 Å²	42.6	51%	0.513	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-2.4	178.2	-67.1	-164.2	-169.4	169.4	0	114.7	A125 L127 L148 K152	A125-K150 VanDerWaalsContact O-CD 3.31Å; A125-K150 WeakPolarHBondContact O-CD 3.29Å; L127-K150 CarbonylContact O-C 3.34Å; L148-K150 PolarHBondContact O-N 2.92Å; L148-K150 VanDerWaalsContact O-N 3.15Å; K150-K152 PolarHBondContact O-N 3.21Å
151	L	97.8	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.			trans	-65.5	124.1	-176.7	-169.6	74	0	0	0	110.2	L127 N128 L130 L148 L154 V172 S174 L175	L127-L151 HydrophobicContact CD2-CD1 4.04Å; L127-L151 HydrophobicContact CG-CD1 4.12Å; L127-L151 VanDerWaalsContact O-CA 3.29Å; L127-L151 WeakPolarHBondContact O-CA 3.33Å; L127-L151 PolarHBondContact O-N 3.48Å; L127-L151 VanDerWaalsContact O-N 3.12Å; N128-L151 WeakPolarHBondContact O-CD1 3.47Å; L130-L151 HydrophobicContact CB-CD1 3.82Å; L148-L151 HydrophobicContact CB-CB 4.09Å; L148-L151 HydrophobicContact CD1-CD2 4.16Å; L148-L151 WeakPolarHBondContact O-CB 3.43Å; L148-L151 PolarHBondContact O-N 3.49Å; L148-L151 VanDerWaalsContact O-N 3.15Å; L151-L154 HydrophobicContact CD2-CB 4.44Å; L151-V172 HydrophobicContact CD2-CG1 4.09Å; L151-S174 CarbonylContact O-C 3.22Å; L151-S174 VanDerWaalsContact O-C 3.28Å; L151-S174 PolarHBondContact O-OG 3.02Å; L151-L175 HydrophobicContact CD2-CD2 4Å; L151-L175 HydrophobicContact CG-CD2 4Å; L151-L175 PolarHBondContact O-N 3.49Å
152	K	98.3	Very high	94.8	Very high	84 Å²	84	46 Å²	46	37%	0.365	22%	0.223	S	C	.	.			trans	-112.5	-28.3	177.9	-57.1	-179	-172.8	167.9	0	112.3	N128 K150 R176 R177	N128-K152 PolarHBondContact O-N 3.15Å; N128-K152 VanDerWaalsContact OD1-CB 3.25Å; N128-K152 WeakPolarHBondContact OD1-CB 3.46Å; N128-K152 WeakPolarHBondContact OD1-CD 3.46Å; N128-K152 VanDerWaalsContact OD1-CG 3.27Å; N128-K152 WeakPolarHBondContact OD1-CG 3.32Å; K150-K152 PolarHBondContact O-N 3.21Å; K152-R176 HydrophobicContact CB-CB 4.37Å; K152-R176 HydrophobicContact CB-CG 4.33Å; K152-R176 PolarHBondContact O-N 3.17Å; K152-R177 PolarHBondContact O-N 2.98Å
153	E	98.8	Very high	95.1	Very high	42 Å²	42	44 Å²	44	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.9	-173.9	-54.4	-171.8	160.8	0	0	110.7	N128 T129 L130 R177	N128-E153 PolarHBondContact O-N 3.01Å; T129-E153 WeakPolarHBondContact CA-O 3.48Å; T129-E153 HydrophobicContact CG2-CB 4.01Å; T129-E153 PolarHBondContact OG1-OE2 2.8Å; L130-E153 PolarHBondContact N-O 3.28Å; E153-R177 WeakPolarHBondContact CA-O 3.48Å; E153-R177 HydrophobicContact CB-CB 4.41Å; E153-R177 HydrophobicContact CG-CB 4.06Å; E153-R177 HydrophobicContact CG-CG 4.2Å; E153-R177 IonicContact OE1-NH1 2.83Å; E153-R177 PolarHBondContact OE1-NH1 3.21Å
154	L	98.6	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.9	177.4	175.6	64.7	0	0	0	109.9	L130 L132 F145 L151 L156 F169 L175 R177 L178 D179	L130-L154 HydrophobicContact CB-CD1 4.2Å; L130-L154 HydrophobicContact CD2-CD1 3.96Å; L130-L154 HydrophobicContact CG-CD1 4.09Å; L132-L154 HydrophobicContact CD1-CD1 4.48Å; F145-L154 HydrophobicContact CE1-CD1 4.34Å; F145-L154 HydrophobicContact CE2-CD2 4.33Å; F145-L154 HydrophobicContact CZ-CD1 4.43Å; F145-L154 HydrophobicContact CZ-CD2 4.12Å; L151-L154 HydrophobicContact CD2-CB 4.44Å; L154-L156 HydrophobicContact CD1-CD1 4.46Å; L154-L156 HydrophobicContact CD1-CG 4.23Å; L154-L156 HydrophobicContact CD2-CD1 3.88Å; L154-L156 HydrophobicContact CD2-CG 4.48Å; L154-L156 HydrophobicContact CG-CD1 4.08Å; L154-L156 HydrophobicContact CG-CG 4.15Å; L154-F169 HydrophobicContact CD2-CD1 4.12Å; L154-F169 HydrophobicContact CD2-CE1 4Å; L154-L175 HydrophobicContact CB-CD1 4.4Å; L154-L175 HydrophobicContact CB-CD2 3.81Å; L154-L175 HydrophobicContact CD2-CD1 4.35Å; L154-R177 PolarHBondContact N-O 3.3Å; L154-L178 HydrophobicContact CB-CD1 4.17Å; L154-L178 HydrophobicContact CD2-CD1 3.96Å; L154-L178 HydrophobicContact CG-CD1 4.13Å; L154-D179 PolarHBondContact O-N 3.14Å
155	W	98.7	Very high	95.6	Very high	56 Å²	56	45.4 Å²	45.4	21%	0.212	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	109.8	-177.2	-51.2	88.7	0	0	0	110.4	L130 E131 L132 F133 D179 Y202	L130-W155 PolarHBondContact O-N 2.82Å; E131-W155 HydrophobicContact CG-CB 4.4Å; E131-W155 HydrophobicContact CG-CG 4.16Å; L132-W155 CarbonylContact C-O 3.57Å; L132-W155 WeakPolarHBondContact CA-O 3.44Å; L132-W155 PolarHBondContact N-O 3.14Å; F133-W155 HydrophobicContact CD1-CB 3.99Å; F133-W155 PolarHBondContact N-O 3.01Å; W155-D179 HydrophobicContact CD2-CB 4.1Å; W155-D179 HydrophobicContact CE3-CB 3.22Å; W155-D179 VanDerWaalsContact CE3-OD2 3.22Å; W155-D179 HydrophobicContact CZ3-CB 3.62Å; W155-D179 WeakPolarHBondContact CZ3-OD2 3.21Å; W155-Y202 HydrophobicContact CZ3-CE1 4.37Å
156	L	98.3	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.			trans	-117.5	8.5	-178.9	-73.7	167.1	0	0	0	112.6	L132 L137 L154 N159 F169 D179 L180	L132-L156 HydrophobicContact CB-CD2 3.82Å; L132-L156 HydrophobicContact CD1-CD2 4.02Å; L137-L156 HydrophobicContact CD1-CD2 3.97Å; L154-L156 HydrophobicContact CD1-CD1 4.46Å; L154-L156 HydrophobicContact CD1-CG 4.23Å; L154-L156 HydrophobicContact CD2-CD1 3.88Å; L154-L156 HydrophobicContact CD2-CG 4.48Å; L154-L156 HydrophobicContact CG-CD1 4.08Å; L154-L156 HydrophobicContact CG-CG 4.15Å; L156-N159 PolarHBondContact O-ND2 3.05Å; L156-F169 HydrophobicContact CD1-CE1 4.1Å; L156-D179 CarbonylContact C-O 3.57Å; L156-D179 WeakPolarHBondContact CA-O 3.24Å; L156-D179 PolarHBondContact N-O 3.19Å; L156-L180 HydrophobicContact CB-CD2 3.92Å; L156-L180 HydrophobicContact CD1-CD2 3.89Å
157	R	98.1	Very high	96.1	Very high	60 Å²	60	49.7 Å²	49.7	23%	0.226	24%	0.243	C	C	.	.			trans	-54.6	152.3	-175.9	77.6	168.1	-169.1	80.1	19.9	113.7	F133 D134 N159 D179 G181 E182	F133-R157 CarbonylContact C-O 3.2Å; F133-R157 WeakPolarHBondContact CA-O 3.36Å; F133-R157 HydrophobicContact CB-CB 4.37Å; F133-R157 HydrophobicContact CB-CG 3.39Å; F133-R157 VanDerWaalsContact CB-O 3.29Å; F133-R157 WeakPolarHBondContact CB-O 3.41Å; F133-R157 HydrophobicContact CG-CG 4.16Å; D134-R157 PolarHBondContact N-O 3.01Å; D134-R157 IonicContact OD1-CZ 3.87Å; D134-R157 IonicContact OD1-NH1 2.8Å; D134-R157 IonicContact OD1-NH2 2.87Å; D134-R157 PolarHBondContact OD1-NH2 3.21Å; D134-R157 IonicContact OD2-CZ 2.73Å; D134-R157 IonicContact OD2-NH2 3.69Å; D134-R157 PolarHBondContact OD2-NH2 2.96Å; R157-N159 VanDerWaalsContact C-N 3.33Å; R157-N159 PolarHBondContact O-N 2.75Å; R157-N159 PolarHBondContact O-ND2 2.99Å; R157-D179 PolarHBondContact N-O 2.91Å; R157-G181 CarbonylContact C-O 3.45Å; R157-G181 WeakPolarHBondContact CA-O 3.32Å; R157-G181 WeakPolarHBondContact CB-O 3.27Å; R157-E182 IonicContact CZ-OE1 3.43Å; R157-E182 IonicContact NH1-OE1 3.28Å; R157-E182 PolarHBondContact NH1-OE1 3.47Å
158	N	98.1	Very high	96.9	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.283	21%	0.212	S	C	.	.	S	Bend	trans	51.1	49.8	178.3	-166.4	30.3	0	0	0	112.9	D134 G181 E182	D134-N158 WeakPolarHBondContact CA-O 3.49Å; D134-N158 VanDerWaalsContact OD1-CB 3.31Å; D134-N158 WeakPolarHBondContact OD1-CB 3.47Å; D134-N158 PolarHBondContact OD1-ND2 3.14Å; N158-G181 PolarHBondContact N-O 3.16Å; N158-E182 HydrophobicContact CB-CB 3.95Å
159	N	98.5	Very high	97	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	21%	0.211	C	C	.	.			trans	-112.7	151.1	166.4	-84.6	-81.4	0	0	0	110	L132 N135 R136 L137 L156 R157 I161 L183	L132-N159 PolarHBondContact O-ND2 3.46Å; N135-N159 VanDerWaalsContact CA-OD1 3.26Å; N135-N159 WeakPolarHBondContact CA-OD1 3.25Å; N135-N159 WeakPolarHBondContact CB-OD1 3.12Å; N135-N159 PolarHBondContact N-OD1 2.89Å; N135-N159 PolarHBondContact O-OD1 3.22Å; R136-N159 PolarHBondContact N-OD1 3.43Å; L137-N159 HydrophobicContact CB-CB 4.29Å; L137-N159 WeakPolarHBondContact CB-OD1 3.2Å; L137-N159 PolarHBondContact N-OD1 3.27Å; L137-N159 VanDerWaalsContact N-OD1 3.1Å; L156-N159 PolarHBondContact O-ND2 3.05Å; R157-N159 VanDerWaalsContact C-N 3.33Å; R157-N159 PolarHBondContact O-N 2.75Å; R157-N159 PolarHBondContact O-ND2 2.99Å; N159-I161 HydrophobicContact CB-CD1 4.03Å; N159-I161 HydrophobicContact CB-CG1 3.88Å; N159-I161 PolarHBondContact O-N 2.97Å; N159-L183 HydrophobicContact CB-CD2 4.15Å; N159-L183 VanDerWaalsContact O-CD2 3.24Å; N159-L183 WeakPolarHBondContact O-CD2 3.31Å
160	P	98	Very high	97.1	Very high	23 Å²	23	39.6 Å²	39.6	15%	0.149	19%	0.194	C	C	.	.			trans	-76.5	41.9	176.2	33.6	-36.3	0	0	0	113	N135 L137 T138 E162 R185	N135-P160 WeakPolarHBondContact O-CD 3.34Å; L137-P160 CarbonylContact O-C 3.58Å; L137-P160 WeakPolarHBondContact O-CD 3.47Å; L137-P160 WeakPolarHBondContact O-CG 3.34Å; T138-P160 WeakPolarHBondContact CA-O 3.35Å; P160-E162 PolarHBondContact O-N 2.92Å; P160-R185 HydrophobicContact CB-CG 4.48Å
161	I	98.1	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.			trans	-68	127.7	-178.9	-64.7	169.3	0	0	0	109.5	L137 T138 I140 N159 S163 L183 R185 L186	L137-I161 HydrophobicContact CB-CG1 4.5Å; L137-I161 WeakPolarHBondContact O-CG1 3.43Å; L137-I161 PolarHBondContact O-N 2.78Å; T138-I161 WeakPolarHBondContact O-CA 3.42Å; I140-I161 HydrophobicContact CG1-CD1 4.07Å; I140-I161 HydrophobicContact CG1-CG2 4.28Å; N159-I161 HydrophobicContact CB-CD1 4.03Å; N159-I161 HydrophobicContact CB-CG1 3.88Å; N159-I161 PolarHBondContact O-N 2.97Å; I161-S163 WeakPolarHBondContact CG2-O 3.47Å; I161-L183 HydrophobicContact CB-CD1 4.35Å; I161-L183 HydrophobicContact CB-CD2 4.15Å; I161-L183 HydrophobicContact CD1-CD1 4.44Å; I161-L183 HydrophobicContact CD1-CD2 4Å; I161-L183 HydrophobicContact CG1-CD2 4.28Å; I161-R185 CarbonylContact O-C 3.43Å; I161-L186 WeakPolarHBondContact O-CA 3.34Å; I161-L186 PolarHBondContact O-N 3.39Å
162	E	96.8	Very high	96.9	Very high	97 Å²	97	41.1 Å²	41.1	45%	0.453	20%	0.197	S	C	.	.			trans	-91.6	-30.8	-174.5	-64.3	179.4	-174.5	0	0	113	T138 P160 S187	T138-E162 PolarHBondContact O-N 3.23Å; P160-E162 PolarHBondContact O-N 2.92Å; E162-S187 PolarHBondContact O-N 2.97Å; E162-S187 PolarHBondContact O-OG 2.56Å
163	S	96.7	Very high	96.7	Very high	39 Å²	39	39.8 Å²	39.8	27%	0.273	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.6	-179.9	59.8	0	0	0	0	113.5	I161 Y188	I161-S163 WeakPolarHBondContact CG2-O 3.47Å; S163-Y188 CarbonylContact C-O 3.29Å; S163-Y188 VanDerWaalsContact CA-O 3.24Å; S163-Y188 WeakPolarHBondContact CA-O 3.41Å
164	I	97.8	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	100.5	170.9	-52.7	-179.7	0	0	0	108.1	I140 A168 F169 L180 L186 Y188 I189 S190 A193	I140-I164 HydrophobicContact CD1-CB 4.1Å; I140-I164 HydrophobicContact CD1-CG1 3.82Å; I140-I164 HydrophobicContact CD1-CG2 3.72Å; I164-A168 HydrophobicContact CG2-CB 3.94Å; I164-F169 HydrophobicContact CG2-CE2 4.17Å; I164-L180 HydrophobicContact CD1-CD1 3.96Å; I164-L186 HydrophobicContact CD1-CD1 4.38Å; I164-L186 HydrophobicContact CD1-CD2 4.27Å; I164-L186 HydrophobicContact CG1-CD1 3.9Å; I164-Y188 PolarHBondContact N-O 2.76Å; I164-I189 HydrophobicContact CB-CG1 4.45Å; I164-I189 HydrophobicContact CB-CG2 4.28Å; I164-I189 HydrophobicContact CD1-CD1 4.26Å; I164-I189 HydrophobicContact CD1-CG1 4.1Å; I164-I189 HydrophobicContact CG1-CG1 4.39Å; I164-S190 WeakPolarHBondContact O-CB 3.48Å; I164-S190 PolarHBondContact O-N 3Å; I164-A193 HydrophobicContact CB-CB 4.37Å; I164-A193 HydrophobicContact CG2-CB 3.58Å
165	P	96.6	Very high	96.5	Very high	54 Å²	54	39.1 Å²	39.1	35%	0.351	20%	0.197	S	C	.	.			trans	-73	168.8	-176.9	31.1	-35.9	0	0	0	112.1	A168 A193	P165-A168 HydrophobicContact CG-CB 4.24Å; P165-A168 WeakPolarHBondContact O-CB 3.28Å; P165-A168 PolarHBondContact O-N 2.86Å; P165-A193 WeakPolarHBondContact O-CA 3.29Å
166	S	96.1	Very high	96.5	Very high	58 Å²	58	41.4 Å²	41.4	41%	0.406	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	142.9	173.5	-42.1	0	0	0	0	111	A168 S190	S166-A168 PolarHBondContact O-N 3.49Å; S166-S190 PolarHBondContact OG-OG 3.03Å
167	Y	94.3	Very high	96.5	Very high	96 Å²	96	46.3 Å²	46.3	38%	0.376	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.3	178.8	-51.6	-86.4	0	0	0	114.2	F169 N170 G192 K195	Y167-F169 PolarHBondContact O-N 3.11Å; Y167-N170 HydrophobicContact CD1-CB 4.37Å; Y167-N170 PolarHBondContact O-N 2.94Å; Y167-N170 PolarHBondContact O-OD1 3.17Å; Y167-G192 PolarHBondContact N-O 2.92Å; Y167-K195 HydrophobicContact CD1-CB 4.24Å; Y167-K195 HydrophobicContact CD1-CD 4.15Å; Y167-K195 HydrophobicContact CD1-CG 4.25Å; Y167-K195 HydrophobicContact CE1-CB 4.3Å; Y167-K195 HydrophobicContact CE1-CD 3.38Å; Y167-K195 HydrophobicContact CE1-CG 3.92Å; Y167-K195 PolarHBondContact OH-NZ 2.85Å
168	A	95.9	Very high	96.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.5	-175.7	0	0	0	0	0	113.9	I140 N142 I164 P165 S166	I140-A168 HydrophobicContact CD1-CB 4.17Å; I140-A168 HydrophobicContact CG2-CB 4.47Å; N142-A168 WeakPolarHBondContact CB-O 3.21Å; I164-A168 HydrophobicContact CG2-CB 3.94Å; P165-A168 HydrophobicContact CG-CB 4.24Å; P165-A168 WeakPolarHBondContact O-CB 3.28Å; P165-A168 PolarHBondContact O-N 2.86Å; S166-A168 PolarHBondContact O-N 3.49Å
169	F	95.9	Very high	96.6	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	14	-176	-51.8	-75.8	0	0	0	113.8	I140 L154 L156 I164 Y167 R171 V172 L178 L180 F194 L197	I140-F169 HydrophobicContact CD1-CE1 4.25Å; I140-F169 HydrophobicContact CD1-CE2 4.16Å; I140-F169 HydrophobicContact CD1-CZ 3.56Å; I140-F169 HydrophobicContact CG1-CZ 4.39Å; I140-F169 HydrophobicContact CG2-CD1 4.49Å; I140-F169 HydrophobicContact CG2-CE1 3.87Å; I140-F169 HydrophobicContact CG2-CZ 4.27Å; L154-F169 HydrophobicContact CD2-CD1 4.12Å; L154-F169 HydrophobicContact CD2-CE1 4Å; L156-F169 HydrophobicContact CD1-CE1 4.1Å; I164-F169 HydrophobicContact CG2-CE2 4.17Å; Y167-F169 PolarHBondContact O-N 3.11Å; F169-R171 PolarHBondContact O-N 2.91Å; F169-R171 VanDerWaalsContact O-N 3.08Å; F169-V172 HydrophobicContact CB-CG2 4.15Å; F169-V172 VanDerWaalsContact O-CG2 3.28Å; F169-V172 WeakPolarHBondContact O-CG2 3.43Å; F169-V172 PolarHBondContact O-N 3.22Å; F169-L178 HydrophobicContact CD2-CD2 4.04Å; F169-L178 HydrophobicContact CE1-CD1 4.04Å; F169-L178 HydrophobicContact CE1-CD2 4.36Å; F169-L178 HydrophobicContact CE2-CD2 3.84Å; F169-L178 HydrophobicContact CG-CD2 4.39Å; F169-L178 HydrophobicContact CZ-CD1 4.21Å; F169-L178 HydrophobicContact CZ-CD2 4.01Å; F169-L180 HydrophobicContact CE2-CD1 4.09Å; F169-L180 HydrophobicContact CZ-CD1 3.94Å; F169-L180 HydrophobicContact CZ-CD2 4.01Å; F169-L180 HydrophobicContact CZ-CG 4.49Å; F169-F194 HydrophobicContact CD2-CD1 4.46Å; F169-F194 HydrophobicContact CE2-CD1 4.42Å; F169-F194 HydrophobicContact CE2-CE1 4.27Å; F169-L197 HydrophobicContact CB-CD1 3.9Å; F169-L197 HydrophobicContact CB-CD2 3.79Å; F169-L197 HydrophobicContact CB-CG 4.11Å; F169-L197 HydrophobicContact CD2-CD1 4.02Å; F169-L197 HydrophobicContact CG-CD1 4.22Å
170	N	92.4	Very high	96.6	Very high	45 Å²	45	41.1 Å²	41.1	24%	0.241	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.2	-174.1	76.2	-20.6	0	0	0	114.3	Y167 V172 D196	Y167-N170 HydrophobicContact CD1-CB 4.37Å; Y167-N170 PolarHBondContact O-N 2.94Å; Y167-N170 PolarHBondContact O-OD1 3.17Å; N170-V172 VanDerWaalsContact C-N 3.27Å; N170-V172 PolarHBondContact O-N 2.8Å; N170-D196 HydrophobicContact CB-CB 4.48Å
171	R	92.9	Very high	96.5	Very high	150 Å²	150	40.1 Å²	40.1	57%	0.566	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.6	176.5	-58.3	-50.9	-175.6	179	0.3	113.4	F169 P173	F169-R171 PolarHBondContact O-N 2.91Å; F169-R171 VanDerWaalsContact O-N 3.08Å; R171-P173 VanDerWaalsContact C-CD 3.41Å
172	V	95.2	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.			trans	-128.3	60.3	-178.5	-72.4	0	0	0	0	111.9	F145 L148 L151 F169 N170 S174 L175	F145-V172 HydrophobicContact CB-CG1 3.86Å; L148-V172 HydrophobicContact CB-CG1 3.86Å; L151-V172 HydrophobicContact CD2-CG1 4.09Å; F169-V172 HydrophobicContact CB-CG2 4.15Å; F169-V172 VanDerWaalsContact O-CG2 3.28Å; F169-V172 WeakPolarHBondContact O-CG2 3.43Å; F169-V172 PolarHBondContact O-N 3.22Å; N170-V172 VanDerWaalsContact C-N 3.27Å; N170-V172 PolarHBondContact O-N 2.8Å; V172-S174 PolarHBondContact O-N 2.89Å; V172-S174 VanDerWaalsContact O-N 3.11Å; V172-L175 HydrophobicContact CB-CD1 4.21Å; V172-L175 HydrophobicContact CB-CG 4.07Å; V172-L175 HydrophobicContact CG2-CD1 3.52Å; V172-L175 HydrophobicContact CG2-CG 3.95Å; V172-L175 WeakPolarHBondContact O-CG 3.24Å; V172-L175 PolarHBondContact O-N 2.99Å
173	P	94.3	Very high	96.6	Very high	57 Å²	57	38 Å²	38	37%	0.37	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.5	-179.6	32	-37.6	0	0	0	113.7	R171 L175 N199	R171-P173 VanDerWaalsContact C-CD 3.41Å; P173-L175 VanDerWaalsContact C-N 3.3Å; P173-N199 PolarHBondContact O-ND2 3.3Å
174	S	95.9	Very high	96.5	Very high	28 Å²	28	42.4 Å²	42.4	20%	0.196	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.7	175.2	45.6	0	0	0	0	113.9	S149 L151 V172	S149-S174 WeakPolarHBondContact O-CB 3.45Å; S149-S174 PolarHBondContact O-OG 3.1Å; L151-S174 CarbonylContact O-C 3.22Å; L151-S174 VanDerWaalsContact O-C 3.28Å; L151-S174 PolarHBondContact O-OG 3.02Å; V172-S174 PolarHBondContact O-N 2.89Å; V172-S174 VanDerWaalsContact O-N 3.11Å
175	L	97.8	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.227	C	C	.	.			trans	-55.6	139.1	179.6	-79.7	178	0	0	0	111.9	L151 L154 V172 P173 L197 N199 L200	L151-L175 HydrophobicContact CD2-CD2 4Å; L151-L175 HydrophobicContact CG-CD2 4Å; L151-L175 PolarHBondContact O-N 3.49Å; L154-L175 HydrophobicContact CB-CD1 4.4Å; L154-L175 HydrophobicContact CB-CD2 3.81Å; L154-L175 HydrophobicContact CD2-CD1 4.35Å; V172-L175 HydrophobicContact CB-CD1 4.21Å; V172-L175 HydrophobicContact CB-CG 4.07Å; V172-L175 HydrophobicContact CG2-CD1 3.52Å; V172-L175 HydrophobicContact CG2-CG 3.95Å; V172-L175 WeakPolarHBondContact O-CG 3.24Å; V172-L175 PolarHBondContact O-N 2.99Å; P173-L175 VanDerWaalsContact C-N 3.3Å; L175-L197 HydrophobicContact CB-CD2 4.27Å; L175-L197 HydrophobicContact CD1-CD2 4.2Å; L175-N199 CarbonylContact O-C 3.48Å; L175-N199 VanDerWaalsContact O-C 3.29Å; L175-L200 HydrophobicContact CB-CD1 3.97Å; L175-L200 PolarHBondContact O-N 3.14Å
176	R	98.4	Very high	96.5	Very high	104 Å²	104	48.3 Å²	48.3	39%	0.392	22%	0.215	S	C	.	.	S	Bend	trans	-119.8	-32.4	175.3	-62.7	-169.8	179.2	-151.9	-2.2	112	K152 R201 Y202	K152-R176 HydrophobicContact CB-CB 4.37Å; K152-R176 HydrophobicContact CB-CG 4.33Å; K152-R176 PolarHBondContact O-N 3.17Å; R176-R201 WeakPolarHBondContact O-CA 3.47Å; R176-R201 PolarHBondContact O-N 2.84Å; R176-Y202 PolarHBondContact O-N 2.82Å
177	R	98.8	Very high	96.4	Very high	103 Å²	103	50.4 Å²	50.4	39%	0.389	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.3	176.7	-54.5	-160.9	155.7	88.2	3.8	110.2	K152 E153 L154 Y202	K152-R177 PolarHBondContact O-N 2.98Å; E153-R177 WeakPolarHBondContact CA-O 3.48Å; E153-R177 HydrophobicContact CB-CB 4.41Å; E153-R177 HydrophobicContact CG-CB 4.06Å; E153-R177 HydrophobicContact CG-CG 4.2Å; E153-R177 IonicContact OE1-NH1 2.83Å; E153-R177 PolarHBondContact OE1-NH1 3.21Å; L154-R177 PolarHBondContact N-O 3.3Å; R177-Y202 HydrophobicContact CB-CD1 4.06Å
178	L	98.7	Very high	96.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.4	176.8	177.5	59.1	0	0	0	109.1	L154 F169 L180 F194 L197 L200 Y202 L203 N204	L154-L178 HydrophobicContact CB-CD1 4.17Å; L154-L178 HydrophobicContact CD2-CD1 3.96Å; L154-L178 HydrophobicContact CG-CD1 4.13Å; F169-L178 HydrophobicContact CD2-CD2 4.04Å; F169-L178 HydrophobicContact CE1-CD1 4.04Å; F169-L178 HydrophobicContact CE1-CD2 4.36Å; F169-L178 HydrophobicContact CE2-CD2 3.84Å; F169-L178 HydrophobicContact CG-CD2 4.39Å; F169-L178 HydrophobicContact CZ-CD1 4.21Å; F169-L178 HydrophobicContact CZ-CD2 4.01Å; L178-L180 HydrophobicContact CD1-CD1 4.37Å; L178-L180 HydrophobicContact CD1-CD2 4.41Å; L178-L180 HydrophobicContact CD1-CG 4.08Å; L178-L180 HydrophobicContact CD2-CD1 3.8Å; L178-L180 HydrophobicContact CD2-CG 4.38Å; L178-L180 HydrophobicContact CG-CD1 3.95Å; L178-L180 HydrophobicContact CG-CG 3.98Å; L178-F194 HydrophobicContact CD2-CD1 4.49Å; L178-F194 HydrophobicContact CD2-CE1 4.36Å; L178-L197 HydrophobicContact CD2-CD1 4.05Å; L178-L200 HydrophobicContact CB-CD1 3.78Å; L178-L200 HydrophobicContact CB-CD2 4.25Å; L178-Y202 PolarHBondContact N-O 3.43Å; L178-L203 HydrophobicContact CB-CD1 4.28Å; L178-L203 HydrophobicContact CD2-CD1 4.1Å; L178-L203 HydrophobicContact CG-CD1 4.17Å; L178-L203 WeakPolarHBondContact O-CA 3.42Å; L178-N204 PolarHBondContact O-N 2.74Å
179	D	98.7	Very high	96.4	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.6	176.2	-171.6	-5.6	0	0	0	111.2	L154 W155 L156 R157 G181 N204	L154-D179 PolarHBondContact O-N 3.14Å; W155-D179 HydrophobicContact CD2-CB 4.1Å; W155-D179 HydrophobicContact CE3-CB 3.22Å; W155-D179 VanDerWaalsContact CE3-OD2 3.22Å; W155-D179 HydrophobicContact CZ3-CB 3.62Å; W155-D179 WeakPolarHBondContact CZ3-OD2 3.21Å; L156-D179 CarbonylContact C-O 3.57Å; L156-D179 WeakPolarHBondContact CA-O 3.24Å; L156-D179 PolarHBondContact N-O 3.19Å; R157-D179 PolarHBondContact N-O 2.91Å; D179-G181 PolarHBondContact OD1-N 3.12Å; D179-N204 HydrophobicContact CB-CB 4.39Å; D179-N204 WeakPolarHBondContact OD1-CB 2.97Å; D179-N204 PolarHBondContact OD1-ND2 3.39Å
180	L	98.3	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.246	C	C	.	.			trans	-119	30.5	176.7	-65.9	166.7	0	0	0	110.3	L156 I164 F169 L178 L183 F194 L203 N204 L205 C208	L156-L180 HydrophobicContact CB-CD2 3.92Å; L156-L180 HydrophobicContact CD1-CD2 3.89Å; I164-L180 HydrophobicContact CD1-CD1 3.96Å; F169-L180 HydrophobicContact CE2-CD1 4.09Å; F169-L180 HydrophobicContact CZ-CD1 3.94Å; F169-L180 HydrophobicContact CZ-CD2 4.01Å; F169-L180 HydrophobicContact CZ-CG 4.49Å; L178-L180 HydrophobicContact CD1-CD1 4.37Å; L178-L180 HydrophobicContact CD1-CD2 4.41Å; L178-L180 HydrophobicContact CD1-CG 4.08Å; L178-L180 HydrophobicContact CD2-CD1 3.8Å; L178-L180 HydrophobicContact CD2-CG 4.38Å; L178-L180 HydrophobicContact CG-CD1 3.95Å; L178-L180 HydrophobicContact CG-CG 3.98Å; L180-L183 HydrophobicContact CB-CD1 3.95Å; L180-L183 HydrophobicContact CD2-CD1 4.2Å; L180-L183 WeakPolarHBondContact O-CD1 3.24Å; L180-L183 VanDerWaalsContact O-CG 3.25Å; L180-L183 WeakPolarHBondContact O-CG 3.5Å; L180-F194 HydrophobicContact CD1-CE1 3.89Å; L180-F194 HydrophobicContact CD1-CZ 4.4Å; L180-L203 HydrophobicContact CD1-CD1 4.46Å; L180-N204 CarbonylContact C-O 3.6Å; L180-N204 VanDerWaalsContact C-O 3.24Å; L180-N204 VanDerWaalsContact CA-O 3.31Å; L180-N204 WeakPolarHBondContact CA-O 3.13Å; L180-N204 WeakPolarHBondContact CB-O 3.43Å; L180-N204 PolarHBondContact N-O 3.29Å; L180-L205 HydrophobicContact CB-CD2 3.89Å; L180-L205 HydrophobicContact CD1-CD2 4.16Å; L180-C208 PolarHBondContact O-SG 3.15Å
181	G	97.7	Very high	96.6	Very high	2 Å²	2	57 Å²	57	2%	0.021	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	163.6	178.7	0	0	0	0	0	113.9	R157 N158 D179 L183 N204 G206	R157-G181 CarbonylContact C-O 3.45Å; R157-G181 WeakPolarHBondContact CA-O 3.32Å; R157-G181 WeakPolarHBondContact CB-O 3.27Å; N158-G181 PolarHBondContact N-O 3.16Å; D179-G181 PolarHBondContact OD1-N 3.12Å; G181-L183 PolarHBondContact O-N 2.79Å; G181-L183 VanDerWaalsContact O-N 3.12Å; G181-N204 PolarHBondContact N-O 2.85Å; G181-G206 CarbonylContact C-O 3.34Å; G181-G206 VanDerWaalsContact CA-O 3.24Å; G181-G206 WeakPolarHBondContact CA-O 3.44Å
182	E	97.9	Very high	96.7	Very high	51 Å²	51	50.6 Å²	50.6	24%	0.238	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	28	175.6	-60	-176.5	-110.5	0	0	114.7	R157 N158 K184 G206 M207	R157-E182 IonicContact CZ-OE1 3.43Å; R157-E182 IonicContact NH1-OE1 3.28Å; R157-E182 PolarHBondContact NH1-OE1 3.47Å; N158-E182 HydrophobicContact CB-CB 3.95Å; E182-K184 PolarHBondContact O-N 3.48Å; E182-G206 PolarHBondContact N-O 2.9Å; E182-M207 WeakPolarHBondContact CA-O 3.41Å; E182-M207 HydrophobicContact CG-CB 4.09Å; E182-M207 HydrophobicContact CG-SD 4.06Å
183	L	97.8	Very high	96.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.244	C	C	.	.			trans	-79.2	73.1	175.6	-57.9	179.9	0	0	0	110.5	N159 I161 L180 G181 R185 L186 C208	N159-L183 HydrophobicContact CB-CD2 4.15Å; N159-L183 VanDerWaalsContact O-CD2 3.24Å; N159-L183 WeakPolarHBondContact O-CD2 3.31Å; I161-L183 HydrophobicContact CB-CD1 4.35Å; I161-L183 HydrophobicContact CB-CD2 4.15Å; I161-L183 HydrophobicContact CD1-CD1 4.44Å; I161-L183 HydrophobicContact CD1-CD2 4Å; I161-L183 HydrophobicContact CG1-CD2 4.28Å; L180-L183 HydrophobicContact CB-CD1 3.95Å; L180-L183 HydrophobicContact CD2-CD1 4.2Å; L180-L183 WeakPolarHBondContact O-CD1 3.24Å; L180-L183 VanDerWaalsContact O-CG 3.25Å; L180-L183 WeakPolarHBondContact O-CG 3.5Å; G181-L183 PolarHBondContact O-N 2.79Å; G181-L183 VanDerWaalsContact O-N 3.12Å; L183-R185 PolarHBondContact O-N 3.01Å; L183-L186 HydrophobicContact CB-CB 3.91Å; L183-L186 HydrophobicContact CB-CD2 4.35Å; L183-L186 HydrophobicContact CD1-CD2 4.27Å; L183-L186 WeakPolarHBondContact O-CB 3.25Å; L183-L186 PolarHBondContact O-N 3.1Å; L183-C208 PolarHBondContact N-SG 2.92Å
184	K	95.6	Very high	96.9	Very high	133 Å²	133	47.9 Å²	47.9	58%	0.578	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.9	-172.2	-66.2	173.2	-175.2	167.4	0	115	E182	E182-K184 PolarHBondContact O-N 3.48Å
185	R	96.2	Very high	96.8	Very high	158 Å²	158	50.5 Å²	50.5	60%	0.596	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	4.3	178.5	-68.8	-166.6	176.7	176.8	-3.5	113.5	P160 I161 L183 S187	P160-R185 HydrophobicContact CB-CG 4.48Å; I161-R185 CarbonylContact O-C 3.43Å; L183-R185 PolarHBondContact O-N 3.01Å; R185-S187 PolarHBondContact O-N 3.38Å
186	L	97.1	Very high	96.6	Very high	19 Å²	19	53.7 Å²	53.7	10%	0.099	25%	0.252	C	S	.	.			trans	-66.3	123.7	-178.6	-173.8	61	0	0	0	110	I161 I164 L183 I189 C208 L210	I161-L186 WeakPolarHBondContact O-CA 3.34Å; I161-L186 PolarHBondContact O-N 3.39Å; I164-L186 HydrophobicContact CD1-CD1 4.38Å; I164-L186 HydrophobicContact CD1-CD2 4.27Å; I164-L186 HydrophobicContact CG1-CD1 3.9Å; L183-L186 HydrophobicContact CB-CB 3.91Å; L183-L186 HydrophobicContact CB-CD2 4.35Å; L183-L186 HydrophobicContact CD1-CD2 4.27Å; L183-L186 WeakPolarHBondContact O-CB 3.25Å; L183-L186 PolarHBondContact O-N 3.1Å; L186-I189 HydrophobicContact CD1-CG1 4.39Å; L186-I189 HydrophobicContact CD2-CD1 3.9Å; L186-I189 HydrophobicContact CD2-CG1 3.94Å; L186-I189 HydrophobicContact CG-CG1 4.37Å; L186-C208 HydrophobicContact CD2-CB 4.21Å; L186-L210 HydrophobicContact CD2-CD2 4.07Å
187	S	94.1	Very high	96.4	Very high	103 Å²	103	48.8 Å²	48.8	72%	0.72	23%	0.233	S	C	*	.			trans	-114.9	-25.6	-177.6	64.8	0	0	0	0	112.9	E162 R185	E162-S187 PolarHBondContact O-N 2.97Å; E162-S187 PolarHBondContact O-OG 2.56Å; R185-S187 PolarHBondContact O-N 3.38Å
188	Y	94.6	Very high	96.2	Very high	131 Å²	131	46.9 Å²	46.9	51%	0.514	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	133.9	-172.8	177.2	-107.9	0	0	0	112.1	S163 I164	S163-Y188 CarbonylContact C-O 3.29Å; S163-Y188 VanDerWaalsContact CA-O 3.24Å; S163-Y188 WeakPolarHBondContact CA-O 3.41Å; I164-Y188 PolarHBondContact N-O 2.76Å
189	I	97.2	Very high	96.1	Very high	26 Å²	26	49.3 Å²	49.3	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126	167.6	-56.3	179.8	0	0	0	107	I164 L186 A193 F194 L210 P214	I164-I189 HydrophobicContact CB-CG1 4.45Å; I164-I189 HydrophobicContact CB-CG2 4.28Å; I164-I189 HydrophobicContact CD1-CD1 4.26Å; I164-I189 HydrophobicContact CD1-CG1 4.1Å; I164-I189 HydrophobicContact CG1-CG1 4.39Å; L186-I189 HydrophobicContact CD1-CG1 4.39Å; L186-I189 HydrophobicContact CD2-CD1 3.9Å; L186-I189 HydrophobicContact CD2-CG1 3.94Å; L186-I189 HydrophobicContact CG-CG1 4.37Å; I189-A193 HydrophobicContact CG2-CB 3.72Å; I189-F194 HydrophobicContact CG2-CE2 4.06Å; I189-F194 HydrophobicContact CG2-CZ 4.44Å; I189-L210 HydrophobicContact CD1-CD1 4.34Å; I189-L210 HydrophobicContact CD1-CD2 3.74Å; I189-P214 HydrophobicContact CB-CB 4.23Å; I189-P214 HydrophobicContact CD1-CB 4.02Å; I189-P214 HydrophobicContact CD1-CG 4.02Å; I189-P214 HydrophobicContact CG2-CB 3.83Å
190	S	96.8	Very high	96	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.063	24%	0.244	C	C	.	.			trans	-74.2	146.8	176.2	-177.9	0	0	0	0	112.3	I164 S166 G192 A193	I164-S190 WeakPolarHBondContact O-CB 3.48Å; I164-S190 PolarHBondContact O-N 3Å; S166-S190 PolarHBondContact OG-OG 3.03Å; S190-G192 PolarHBondContact O-N 2.88Å; S190-G192 VanDerWaalsContact O-N 3.1Å; S190-G192 PolarHBondContact OG-N 3.12Å; S190-A193 WeakPolarHBondContact O-CB 3.34Å; S190-A193 PolarHBondContact O-N 3.03Å
191	D	94	Very high	96	Very high	115 Å²	115	53.4 Å²	53.4	62%	0.615	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.9	174.1	-61.4	-29.1	0	0	0	113.5	N215	D191-N215 HydrophobicContact CB-CB 4.32Å; D191-N215 PolarHBondContact O-ND2 2.78Å
192	G	95.8	Very high	96.1	Very high	16 Å²	16	55 Å²	55	17%	0.165	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10	175.6	0	0	0	0	0	114.3	Y167 S190 F194 K195	Y167-G192 PolarHBondContact N-O 2.92Å; S190-G192 PolarHBondContact O-N 2.88Å; S190-G192 VanDerWaalsContact O-N 3.1Å; S190-G192 PolarHBondContact OG-N 3.12Å; G192-F194 PolarHBondContact O-N 3.27Å; G192-K195 WeakPolarHBondContact O-CB 3.24Å; G192-K195 PolarHBondContact O-N 3.4Å
193	A	97.1	Very high	96.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-44.6	-172.6	0	0	0	0	0	113.2	I164 P165 I189 S190	I164-A193 HydrophobicContact CB-CB 4.37Å; I164-A193 HydrophobicContact CG2-CB 3.58Å; P165-A193 WeakPolarHBondContact O-CA 3.29Å; I189-A193 HydrophobicContact CG2-CB 3.72Å; S190-A193 WeakPolarHBondContact O-CB 3.34Å; S190-A193 PolarHBondContact O-N 3.03Å
194	F	96.5	Very high	96.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	16.1	-175	-54.3	-65.8	0	0	0	113.5	F169 L178 L180 I189 G192 L197 L203 L205 P214 I216 L219	F169-F194 HydrophobicContact CD2-CD1 4.46Å; F169-F194 HydrophobicContact CE2-CD1 4.42Å; F169-F194 HydrophobicContact CE2-CE1 4.27Å; L178-F194 HydrophobicContact CD2-CD1 4.49Å; L178-F194 HydrophobicContact CD2-CE1 4.36Å; L180-F194 HydrophobicContact CD1-CE1 3.89Å; L180-F194 HydrophobicContact CD1-CZ 4.4Å; I189-F194 HydrophobicContact CG2-CE2 4.06Å; I189-F194 HydrophobicContact CG2-CZ 4.44Å; G192-F194 PolarHBondContact O-N 3.27Å; F194-L197 HydrophobicContact CB-CD1 4.38Å; F194-L197 HydrophobicContact CD1-CD1 4.17Å; F194-L197 WeakPolarHBondContact O-CB 3.26Å; F194-L197 PolarHBondContact O-N 3.03Å; F194-L203 HydrophobicContact CE1-CD1 4.24Å; F194-L203 HydrophobicContact CZ-CD2 4.48Å; F194-L205 HydrophobicContact CE2-CD1 4.43Å; F194-L205 HydrophobicContact CZ-CD1 4.14Å; F194-L205 HydrophobicContact CZ-CD2 4.26Å; F194-P214 HydrophobicContact CE2-CB 4.3Å; F194-P214 HydrophobicContact CE2-CG 4.16Å; F194-I216 HydrophobicContact CD2-CG2 4.42Å; F194-L219 HydrophobicContact CB-CD1 4.37Å; F194-L219 HydrophobicContact CB-CD2 4.01Å; F194-L219 HydrophobicContact CB-CG 4.29Å; F194-L219 HydrophobicContact CG-CD1 4.49Å
195	K	94.6	Very high	96.2	Very high	83 Å²	83	47.4 Å²	47.4	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	145.3	177.8	-173.4	159.9	168.7	-171.4	0	110.7	Y167 G192 L197	Y167-K195 HydrophobicContact CD1-CB 4.24Å; Y167-K195 HydrophobicContact CD1-CD 4.15Å; Y167-K195 HydrophobicContact CD1-CG 4.25Å; Y167-K195 HydrophobicContact CE1-CB 4.3Å; Y167-K195 HydrophobicContact CE1-CD 3.38Å; Y167-K195 HydrophobicContact CE1-CG 3.92Å; Y167-K195 PolarHBondContact OH-NZ 2.85Å; G192-K195 WeakPolarHBondContact O-CB 3.24Å; G192-K195 PolarHBondContact O-N 3.4Å; K195-L197 PolarHBondContact O-N 3.05Å
196	D	92.1	Very high	96.3	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	-2.1	-177.9	-49.1	-38	0	0	0	116.2	N170 T198	N170-D196 HydrophobicContact CB-CB 4.48Å; D196-T198 PolarHBondContact O-N 3.46Å
197	L	95.4	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.			trans	-81.1	48.1	174.9	-64.9	-176.4	0	0	0	113.3	F169 L175 L178 F194 K195 N199 L200 L219	F169-L197 HydrophobicContact CB-CD1 3.9Å; F169-L197 HydrophobicContact CB-CD2 3.79Å; F169-L197 HydrophobicContact CB-CG 4.11Å; F169-L197 HydrophobicContact CD2-CD1 4.02Å; F169-L197 HydrophobicContact CG-CD1 4.22Å; L175-L197 HydrophobicContact CB-CD2 4.27Å; L175-L197 HydrophobicContact CD1-CD2 4.2Å; L178-L197 HydrophobicContact CD2-CD1 4.05Å; F194-L197 HydrophobicContact CB-CD1 4.38Å; F194-L197 HydrophobicContact CD1-CD1 4.17Å; F194-L197 WeakPolarHBondContact O-CB 3.26Å; F194-L197 PolarHBondContact O-N 3.03Å; K195-L197 PolarHBondContact O-N 3.05Å; L197-N199 PolarHBondContact O-N 2.98Å; L197-L200 HydrophobicContact CB-CB 4.28Å; L197-L200 HydrophobicContact CD1-CD2 4.35Å; L197-L200 WeakPolarHBondContact O-CB 3.45Å; L197-L200 PolarHBondContact O-N 2.81Å; L197-L219 HydrophobicContact CB-CD2 3.74Å
198	T	93.8	Very high	96.5	Very high	63 Å²	63	39.3 Å²	39.3	39%	0.387	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16	-173.2	58.2	0	0	0	0	114.4	D196 R221	D196-T198 PolarHBondContact O-N 3.46Å; T198-R221 WeakPolarHBondContact O-CB 3.39Å; T198-R221 WeakPolarHBondContact O-CD 3.45Å; T198-R221 WeakPolarHBondContact O-CG 3.29Å
199	N	96.1	Very high	96.5	Very high	51 Å²	51	36.7 Å²	36.7	27%	0.273	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-0.1	178.5	-65.6	-58.8	0	0	0	114	P173 L175 L197 R201 R221	P173-N199 PolarHBondContact O-ND2 3.3Å; L175-N199 CarbonylContact O-C 3.48Å; L175-N199 VanDerWaalsContact O-C 3.29Å; L197-N199 PolarHBondContact O-N 2.98Å; N199-R201 PolarHBondContact O-N 2.78Å; N199-R221 PolarHBondContact OD1-NH1 3.37Å
200	L	98	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.			trans	-67.1	133.4	-177.7	-158.2	75.4	0	0	0	110.3	L175 L178 L197 L203 L219 R221 L222	L175-L200 HydrophobicContact CB-CD1 3.97Å; L175-L200 PolarHBondContact O-N 3.14Å; L178-L200 HydrophobicContact CB-CD1 3.78Å; L178-L200 HydrophobicContact CB-CD2 4.25Å; L197-L200 HydrophobicContact CB-CB 4.28Å; L197-L200 HydrophobicContact CD1-CD2 4.35Å; L197-L200 WeakPolarHBondContact O-CB 3.45Å; L197-L200 PolarHBondContact O-N 2.81Å; L200-L203 HydrophobicContact CD2-CB 4.07Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-L219 HydrophobicContact CB-CD2 4.14Å; L200-L219 HydrophobicContact CD2-CD1 4.23Å; L200-L219 HydrophobicContact CD2-CD2 3.9Å; L200-R221 CarbonylContact O-C 3.47Å; L200-R221 VanDerWaalsContact O-O 3.13Å; L200-L222 HydrophobicContact CD2-CD1 4.23Å; L200-L222 HydrophobicContact CG-CD1 4.36Å; L200-L222 WeakPolarHBondContact O-CA 3.33Å; L200-L222 PolarHBondContact O-N 2.92Å
201	R	98.4	Very high	96.3	Very high	95 Å²	95	43.7 Å²	43.7	36%	0.358	22%	0.218	S	C	.	.			trans	-116.1	-31.7	-179.4	-65.8	-179	178.6	-142.6	1.1	112.4	R176 N199 E223 E224	R176-R201 WeakPolarHBondContact O-CA 3.47Å; R176-R201 PolarHBondContact O-N 2.84Å; N199-R201 PolarHBondContact O-N 2.78Å; R201-E223 HydrophobicContact CB-CB 4.4Å; R201-E223 HydrophobicContact CB-CG 4.32Å; R201-E223 WeakPolarHBondContact CD-OE1 3.42Å; R201-E223 HydrophobicContact CG-CG 4.38Å; R201-E223 IonicContact CZ-OE1 3.73Å; R201-E223 VanDerWaalsContact CZ-OE1 3.28Å; R201-E223 IonicContact NE-OE1 3.51Å; R201-E223 PolarHBondContact NE-OE1 2.97Å; R201-E223 IonicContact NH1-OE1 3.6Å; R201-E223 PolarHBondContact NH1-OE1 2.93Å; R201-E223 IonicContact NH1-OE2 3.29Å; R201-E223 WeakPolarHBondContact O-CA 3.32Å; R201-E223 PolarHBondContact O-N 3.27Å; R201-E224 PolarHBondContact O-N 2.86Å
202	Y	98.8	Very high	96.3	Very high	36 Å²	36	45.7 Å²	45.7	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.4	179.1	172.5	-90.2	0	0	0	109.8	W155 R176 R177 L178 N204 E224 W250	W155-Y202 HydrophobicContact CZ3-CE1 4.37Å; R176-Y202 PolarHBondContact O-N 2.82Å; R177-Y202 HydrophobicContact CB-CD1 4.06Å; L178-Y202 PolarHBondContact N-O 3.43Å; Y202-N204 HydrophobicContact CE1-CB 3.82Å; Y202-E224 WeakPolarHBondContact CA-O 3.29Å; Y202-E224 HydrophobicContact CD2-CB 3.84Å; Y202-E224 WeakPolarHBondContact CD2-OE2 3.42Å; Y202-W250 HydrophobicContact CE2-CZ3 4.4Å
203	L	98.7	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.8	172.3	178.1	61.4	0	0	0	109.9	L178 L180 F194 L200 L205 I216 L219 L222 E224 L225 E226	L178-L203 HydrophobicContact CB-CD1 4.28Å; L178-L203 HydrophobicContact CD2-CD1 4.1Å; L178-L203 HydrophobicContact CG-CD1 4.17Å; L178-L203 WeakPolarHBondContact O-CA 3.42Å; L180-L203 HydrophobicContact CD1-CD1 4.46Å; F194-L203 HydrophobicContact CE1-CD1 4.24Å; F194-L203 HydrophobicContact CZ-CD2 4.48Å; L200-L203 HydrophobicContact CD2-CB 4.07Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L203-L205 HydrophobicContact CD1-CG 4.23Å; L203-L205 HydrophobicContact CD2-CD1 3.86Å; L203-L205 HydrophobicContact CD2-CG 4.31Å; L203-L205 HydrophobicContact CG-CD1 4.21Å; L203-L205 HydrophobicContact CG-CG 4.11Å; L203-I216 HydrophobicContact CD2-CG2 4.29Å; L203-L219 HydrophobicContact CD2-CD1 3.59Å; L203-L222 HydrophobicContact CB-CD1 3.8Å; L203-L222 HydrophobicContact CB-CD2 4.41Å; L203-E224 PolarHBondContact N-O 2.81Å; L203-L225 HydrophobicContact CB-CD1 4.14Å; L203-L225 HydrophobicContact CD2-CD1 4.12Å; L203-L225 HydrophobicContact CG-CD1 4.17Å; L203-E226 PolarHBondContact O-N 3.45Å
204	N	98.6	Very high	96.2	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.118	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.3	171.2	-177.2	6.7	0	0	0	111.2	L178 D179 L180 G181 Y202 G206 E226	L178-N204 PolarHBondContact O-N 2.74Å; D179-N204 HydrophobicContact CB-CB 4.39Å; D179-N204 WeakPolarHBondContact OD1-CB 2.97Å; D179-N204 PolarHBondContact OD1-ND2 3.39Å; L180-N204 CarbonylContact C-O 3.6Å; L180-N204 VanDerWaalsContact C-O 3.24Å; L180-N204 VanDerWaalsContact CA-O 3.31Å; L180-N204 WeakPolarHBondContact CA-O 3.13Å; L180-N204 WeakPolarHBondContact CB-O 3.43Å; L180-N204 PolarHBondContact N-O 3.29Å; G181-N204 PolarHBondContact N-O 2.85Å; Y202-N204 HydrophobicContact CE1-CB 3.82Å; N204-G206 PolarHBondContact OD1-N 3.42Å; N204-E226 HydrophobicContact CB-CB 4.15Å; N204-E226 WeakPolarHBondContact OD1-CG 3.24Å
205	L	97.7	Very high	96.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.243	C	C	.	.			trans	-126.6	24.5	173.3	-69.9	171	0	0	0	110.9	L180 F194 L203 L210 P214 E226 N230	L180-L205 HydrophobicContact CB-CD2 3.89Å; L180-L205 HydrophobicContact CD1-CD2 4.16Å; F194-L205 HydrophobicContact CE2-CD1 4.43Å; F194-L205 HydrophobicContact CZ-CD1 4.14Å; F194-L205 HydrophobicContact CZ-CD2 4.26Å; L203-L205 HydrophobicContact CD1-CG 4.23Å; L203-L205 HydrophobicContact CD2-CD1 3.86Å; L203-L205 HydrophobicContact CD2-CG 4.31Å; L203-L205 HydrophobicContact CG-CD1 4.21Å; L203-L205 HydrophobicContact CG-CG 4.11Å; L205-L210 HydrophobicContact CB-CD1 4.1Å; L205-P214 HydrophobicContact CD1-CG 3.78Å; L205-E226 CarbonylContact C-O 3.28Å; L205-E226 PolarHBondContact N-O 2.85Å; L205-N230 PolarHBondContact O-ND2 2.82Å
206	G	97.8	Very high	96.1	Very high	5 Å²	5	46.1 Å²	46.1	5%	0.052	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	148.4	179.5	0	0	0	0	0	112.8	G181 E182 N204 C208 E226 S228	G181-G206 CarbonylContact C-O 3.34Å; G181-G206 VanDerWaalsContact CA-O 3.24Å; G181-G206 WeakPolarHBondContact CA-O 3.44Å; E182-G206 PolarHBondContact N-O 2.9Å; N204-G206 PolarHBondContact OD1-N 3.42Å; G206-C208 VanDerWaalsContact C-N 3.26Å; G206-C208 PolarHBondContact O-N 2.9Å; G206-C208 PolarHBondContact O-SG 2.97Å; G206-E226 PolarHBondContact N-O 2.89Å; G206-S228 CarbonylContact C-O 3.12Å; G206-S228 WeakPolarHBondContact CA-O 3.4Å
207	M	97.4	Very high	96	Very high	106 Å²	106	47.7 Å²	47.7	52%	0.522	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	34.9	178	-54.8	-174.4	-172.3	0	0	114.3	E182 S228 G229	E182-M207 WeakPolarHBondContact CA-O 3.41Å; E182-M207 HydrophobicContact CG-CB 4.09Å; E182-M207 HydrophobicContact CG-SD 4.06Å; M207-S228 PolarHBondContact N-O 3.12Å; M207-G229 WeakPolarHBondContact CA-O 3.21Å
208	C	97.3	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-102.2	4.8	-179.7	-70.6	0	0	0	0	113.4	L180 L183 L186 G206 L210 N230	L180-C208 PolarHBondContact O-SG 3.15Å; L183-C208 PolarHBondContact N-SG 2.92Å; L186-C208 HydrophobicContact CD2-CB 4.21Å; G206-C208 VanDerWaalsContact C-N 3.26Å; G206-C208 PolarHBondContact O-N 2.9Å; G206-C208 PolarHBondContact O-SG 2.97Å; C208-L210 HydrophobicContact CB-CD1 4.27Å; C208-L210 HydrophobicContact CB-CD2 4.24Å; C208-L210 HydrophobicContact CB-CG 3.84Å; C208-L210 PolarHBondContact O-N 2.79Å; C208-N230 PolarHBondContact N-OD1 3.47Å; C208-N230 VanDerWaalsContact N-OD1 3.1Å
209	N	95.5	Very high	96	Very high	76 Å²	76	46.1 Å²	46.1	41%	0.406	23%	0.225	S	C	.	.			trans	56.6	30.8	-176.8	-57.4	-43.7	0	0	0	113.7	N230	N209-N230 PolarHBondContact N-OD1 2.86Å; N209-N230 VanDerWaalsContact N-OD1 3.1Å
210	L	95.4	Very high	95.8	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.099	24%	0.235	C	C	.	.			trans	-67.9	133.8	-179.4	-59.9	176.7	0	0	0	110.7	L186 I189 L205 C208 N230 Q231 L232	L186-L210 HydrophobicContact CD2-CD2 4.07Å; I189-L210 HydrophobicContact CD1-CD1 4.34Å; I189-L210 HydrophobicContact CD1-CD2 3.74Å; L205-L210 HydrophobicContact CB-CD1 4.1Å; C208-L210 HydrophobicContact CB-CD1 4.27Å; C208-L210 HydrophobicContact CB-CD2 4.24Å; C208-L210 HydrophobicContact CB-CG 3.84Å; C208-L210 PolarHBondContact O-N 2.79Å; L210-N230 HydrophobicContact CB-CB 4.17Å; L210-N230 PolarHBondContact N-OD1 3.08Å; L210-Q231 CarbonylContact O-C 3.57Å; L210-Q231 VanDerWaalsContact O-C 3.28Å; L210-Q231 VanDerWaalsContact O-CA 3.31Å; L210-Q231 WeakPolarHBondContact O-CA 3.31Å; L210-Q231 PolarHBondContact O-N 3.02Å; L210-L232 HydrophobicContact CB-CD2 4.37Å
211	K	94	Very high	95.7	Very high	163 Å²	163	54.3 Å²	54.3	71%	0.709	26%	0.258	S	S	*	.	S	Bend	trans	-89	-25.3	175	-65.1	-177.1	179.8	179.2	0	112.9	Q231	K211-Q231 WeakPolarHBondContact CA-O 3.32Å
212	E	93.6	Very high	95.7	Very high	156 Å²	156	49.9 Å²	49.9	73%	0.729	24%	0.241	S	C	*	.	S	Bend	trans	-140.1	157.2	-179.3	64.1	-171	173.8	0	0	109.9
213	I	94.8	Very high	95.7	Very high	24 Å²	24	50.6 Å²	50.6	12%	0.123	25%	0.246	C	C	.	.			trans	-77.7	125.5	177.2	-64.1	168.2	0	0	0	107.7	I216 M227 L232 I235 F240	I213-I216 HydrophobicContact CG2-CD1 3.88Å; I213-I216 HydrophobicContact CG2-CG1 4.45Å; I213-M227 HydrophobicContact CD1-CE 3.92Å; I213-M227 HydrophobicContact CD1-SD 4.5Å; I213-M227 HydrophobicContact CG1-CE 4.12Å; I213-M227 HydrophobicContact CG1-SD 4.05Å; I213-M227 HydrophobicContact CG2-SD 4.1Å; I213-L232 HydrophobicContact CD1-CD1 4.35Å; I213-L232 HydrophobicContact CG1-CD1 3.95Å; I213-L232 HydrophobicContact CG1-CD2 3.99Å; I213-I235 HydrophobicContact CD1-CD1 3.9Å; I213-F240 HydrophobicContact CD1-CE1 3.96Å; I213-F240 HydrophobicContact CD1-CE2 4.05Å; I213-F240 HydrophobicContact CD1-CZ 3.47Å; I213-F240 VanDerWaalsContact CD1-CZ 3.47Å
214	P	95.1	Very high	95.7	Very high	17 Å²	17	52.5 Å²	52.5	11%	0.11	26%	0.255	C	S	.	.			trans	-69.9	166.8	-179.7	29.6	-35	0	0	0	111.6	I189 F194 L205 I216	I189-P214 HydrophobicContact CB-CB 4.23Å; I189-P214 HydrophobicContact CD1-CB 4.02Å; I189-P214 HydrophobicContact CD1-CG 4.02Å; I189-P214 HydrophobicContact CG2-CB 3.83Å; F194-P214 HydrophobicContact CE2-CB 4.3Å; F194-P214 HydrophobicContact CE2-CG 4.16Å; L205-P214 HydrophobicContact CD1-CG 3.78Å; P214-I216 HydrophobicContact CG-CG2 4.35Å; P214-I216 PolarHBondContact O-N 3.29Å
215	N	94.2	Very high	95.7	Very high	64 Å²	64	51.5 Å²	51.5	34%	0.342	25%	0.249	S	C	.	.			trans	-64.2	102.6	176.3	-176.2	22.7	0	0	0	112	D191 L217	D191-N215 HydrophobicContact CB-CB 4.32Å; D191-N215 PolarHBondContact O-ND2 2.78Å; N215-L217 WeakPolarHBondContact OD1-CB 3.45Å; N215-L217 PolarHBondContact OD1-N 3Å
216	I	94.4	Very high	95.7	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.021	26%	0.258	C	S	.	.			trans	-108.2	5.9	179.3	55.1	-177.1	0	0	0	113.2	F194 L203 I213 P214 P218 L219 L225 F240 L243	F194-I216 HydrophobicContact CD2-CG2 4.42Å; L203-I216 HydrophobicContact CD2-CG2 4.29Å; I213-I216 HydrophobicContact CG2-CD1 3.88Å; I213-I216 HydrophobicContact CG2-CG1 4.45Å; P214-I216 HydrophobicContact CG-CG2 4.35Å; P214-I216 PolarHBondContact O-N 3.29Å; I216-P218 VanDerWaalsContact C-N 3.28Å; I216-L219 HydrophobicContact CB-CD1 4.07Å; I216-L219 HydrophobicContact CG2-CD1 4.01Å; I216-L219 WeakPolarHBondContact O-CB 3.41Å; I216-L219 PolarHBondContact O-N 3.1Å; I216-L225 HydrophobicContact CD1-CD2 3.76Å; I216-F240 HydrophobicContact CD1-CD1 4.29Å; I216-L243 HydrophobicContact CD1-CD1 3.57Å; I216-L243 HydrophobicContact CG1-CD1 4.01Å
217	L	91.8	Very high	95.7	Very high	100 Å²	100	53.1 Å²	53.1	52%	0.524	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.3	176.1	-171	151.7	0	0	0	114.1	N215 L219	N215-L217 WeakPolarHBondContact OD1-CB 3.45Å; N215-L217 PolarHBondContact OD1-N 3Å; L217-L219 PolarHBondContact O-N 3.1Å; L217-L219 VanDerWaalsContact O-N 3.15Å
218	P	92.7	Very high	95.7	Very high	30 Å²	30	49 Å²	49	20%	0.195	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.5	177.3	-23.7	35.3	0	0	0	115.1	I216 I220	I216-P218 VanDerWaalsContact C-N 3.28Å; P218-I220 VanDerWaalsContact C-N 3.29Å; P218-I220 PolarHBondContact O-N 3.27Å; P218-I220 VanDerWaalsContact O-N 3.09Å
219	L	95.2	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.			trans	-89	54.6	-170.1	-55.2	179.8	0	0	0	112.4	F194 L197 L200 L203 I216 L217 R221 L222 L243	F194-L219 HydrophobicContact CB-CD1 4.37Å; F194-L219 HydrophobicContact CB-CD2 4.01Å; F194-L219 HydrophobicContact CB-CG 4.29Å; F194-L219 HydrophobicContact CG-CD1 4.49Å; L197-L219 HydrophobicContact CB-CD2 3.74Å; L200-L219 HydrophobicContact CB-CD2 4.14Å; L200-L219 HydrophobicContact CD2-CD1 4.23Å; L200-L219 HydrophobicContact CD2-CD2 3.9Å; L203-L219 HydrophobicContact CD2-CD1 3.59Å; I216-L219 HydrophobicContact CB-CD1 4.07Å; I216-L219 HydrophobicContact CG2-CD1 4.01Å; I216-L219 WeakPolarHBondContact O-CB 3.41Å; I216-L219 PolarHBondContact O-N 3.1Å; L217-L219 PolarHBondContact O-N 3.1Å; L217-L219 VanDerWaalsContact O-N 3.15Å; L219-R221 PolarHBondContact O-N 3.09Å; L219-L222 HydrophobicContact CB-CB 4.09Å; L219-L222 HydrophobicContact CB-CD2 4.38Å; L219-L222 HydrophobicContact CD1-CD1 4.47Å; L219-L222 HydrophobicContact CD1-CD2 4.21Å; L219-L222 VanDerWaalsContact O-CB 3.24Å; L219-L222 WeakPolarHBondContact O-CB 3.18Å; L219-L222 PolarHBondContact O-N 3.43Å; L219-L243 HydrophobicContact CB-CD2 4.43Å; L219-L243 WeakPolarHBondContact O-CD2 3.47Å
220	I	92.6	Very high	95.8	Very high	92 Å²	92	46.5 Å²	46.5	47%	0.472	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.2	-171.7	57.8	165.5	0	0	0	115.7	P218 S245	P218-I220 VanDerWaalsContact C-N 3.29Å; P218-I220 PolarHBondContact O-N 3.27Å; P218-I220 VanDerWaalsContact O-N 3.09Å; I220-S245 PolarHBondContact O-OG 3.3Å; I220-S245 VanDerWaalsContact O-OG 3.04Å
221	R	96.6	Very high	95.9	Very high	131 Å²	131	49.2 Å²	49.2	49%	0.494	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	11.4	179.2	-71.1	-175.2	170.1	169.4	-3.5	113.3	T198 N199 L200 L219 E223	T198-R221 WeakPolarHBondContact O-CB 3.39Å; T198-R221 WeakPolarHBondContact O-CD 3.45Å; T198-R221 WeakPolarHBondContact O-CG 3.29Å; N199-R221 PolarHBondContact OD1-NH1 3.37Å; L200-R221 CarbonylContact O-C 3.47Å; L200-R221 VanDerWaalsContact O-O 3.13Å; L219-R221 PolarHBondContact O-N 3.09Å; R221-E223 PolarHBondContact O-N 3.34Å
222	L	98.1	Very high	95.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.208	C	C	.	.			trans	-64.3	128.2	-179.3	-160.5	69.9	0	0	0	109.7	L200 L203 L219 L225 L243 S245 L246	L200-L222 HydrophobicContact CD2-CD1 4.23Å; L200-L222 HydrophobicContact CG-CD1 4.36Å; L200-L222 WeakPolarHBondContact O-CA 3.33Å; L200-L222 PolarHBondContact O-N 2.92Å; L203-L222 HydrophobicContact CB-CD1 3.8Å; L203-L222 HydrophobicContact CB-CD2 4.41Å; L219-L222 HydrophobicContact CB-CB 4.09Å; L219-L222 HydrophobicContact CB-CD2 4.38Å; L219-L222 HydrophobicContact CD1-CD1 4.47Å; L219-L222 HydrophobicContact CD1-CD2 4.21Å; L219-L222 VanDerWaalsContact O-CB 3.24Å; L219-L222 WeakPolarHBondContact O-CB 3.18Å; L219-L222 PolarHBondContact O-N 3.43Å; L222-L225 HydrophobicContact CD2-CB 4.06Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 HydrophobicContact CD2-CD2 4.4Å; L222-L225 HydrophobicContact CD2-CG 4.48Å; L222-L243 HydrophobicContact CB-CD2 4.39Å; L222-S245 CarbonylContact O-C 3.55Å; L222-L246 HydrophobicContact CB-CD1 4.25Å; L222-L246 HydrophobicContact CD2-CD1 3.99Å; L222-L246 HydrophobicContact CG-CD1 3.93Å; L222-L246 VanDerWaalsContact O-CA 3.23Å; L222-L246 WeakPolarHBondContact O-CA 3.36Å; L222-L246 PolarHBondContact O-N 3.18Å; L222-L246 VanDerWaalsContact O-N 3.14Å
223	E	98.3	Very high	96	Very high	51 Å²	51	36.9 Å²	36.9	24%	0.238	19%	0.192	C	C	.	.			trans	-108	-34.4	-178.9	-67.7	169	-167.1	0	0	110.3	R201 R221 Q247 K248	R201-E223 HydrophobicContact CB-CB 4.4Å; R201-E223 HydrophobicContact CB-CG 4.32Å; R201-E223 WeakPolarHBondContact CD-OE1 3.42Å; R201-E223 HydrophobicContact CG-CG 4.38Å; R201-E223 IonicContact CZ-OE1 3.73Å; R201-E223 VanDerWaalsContact CZ-OE1 3.28Å; R201-E223 IonicContact NE-OE1 3.51Å; R201-E223 PolarHBondContact NE-OE1 2.97Å; R201-E223 IonicContact NH1-OE1 3.6Å; R201-E223 PolarHBondContact NH1-OE1 2.93Å; R201-E223 IonicContact NH1-OE2 3.29Å; R201-E223 WeakPolarHBondContact O-CA 3.32Å; R201-E223 PolarHBondContact O-N 3.27Å; R221-E223 PolarHBondContact O-N 3.34Å; E223-Q247 WeakPolarHBondContact O-CA 3.3Å; E223-Q247 PolarHBondContact O-N 2.82Å; E223-K248 PolarHBondContact O-N 3.14Å
224	E	98.6	Very high	96	Very high	41 Å²	41	38.5 Å²	38.5	19%	0.192	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.5	-175.7	-59.3	-174	165.5	0	0	110.9	R201 Y202 L203 K248	R201-E224 PolarHBondContact O-N 2.86Å; Y202-E224 WeakPolarHBondContact CA-O 3.29Å; Y202-E224 HydrophobicContact CD2-CB 3.84Å; Y202-E224 WeakPolarHBondContact CD2-OE2 3.42Å; L203-E224 PolarHBondContact N-O 2.81Å; E224-K248 WeakPolarHBondContact CA-O 3.22Å; E224-K248 HydrophobicContact CB-CB 4.48Å; E224-K248 HydrophobicContact CG-CB 4.16Å; E224-K248 HydrophobicContact CG-CD 4.08Å; E224-K248 HydrophobicContact CG-CG 4.23Å; E224-K248 WeakPolarHBondContact OE1-CE 3.31Å; E224-K248 IonicContact OE1-NZ 3.82Å; E224-K248 PolarHBondContact OE1-NZ 3.2Å
225	L	98.5	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.9	179.1	178.8	57.4	0	0	0	111	L203 I216 L222 M227 F240 L246 K248 L249 W250	L203-L225 HydrophobicContact CB-CD1 4.14Å; L203-L225 HydrophobicContact CD2-CD1 4.12Å; L203-L225 HydrophobicContact CG-CD1 4.17Å; I216-L225 HydrophobicContact CD1-CD2 3.76Å; L222-L225 HydrophobicContact CD2-CB 4.06Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 HydrophobicContact CD2-CD2 4.4Å; L222-L225 HydrophobicContact CD2-CG 4.48Å; L225-M227 HydrophobicContact CD1-CG 3.89Å; L225-M227 HydrophobicContact CD1-SD 4.3Å; L225-M227 HydrophobicContact CD2-CE 3.8Å; L225-M227 HydrophobicContact CD2-CG 4.38Å; L225-M227 HydrophobicContact CD2-SD 3.99Å; L225-M227 HydrophobicContact CG-CE 4.22Å; L225-M227 HydrophobicContact CG-CG 3.93Å; L225-M227 HydrophobicContact CG-SD 4.21Å; L225-F240 HydrophobicContact CD2-CE1 4.19Å; L225-L246 HydrophobicContact CB-CD1 3.84Å; L225-L246 HydrophobicContact CB-CD2 4.42Å; L225-K248 PolarHBondContact N-O 3.04Å; L225-L249 HydrophobicContact CB-CD1 4.15Å; L225-L249 HydrophobicContact CD2-CD1 3.94Å; L225-L249 HydrophobicContact CG-CD1 4.07Å; L225-W250 PolarHBondContact O-N 2.89Å
226	E	98.5	Very high	96.1	Very high	39 Å²	39	39.4 Å²	39.4	18%	0.182	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.6	174.8	178.7	57.1	-89.3	0	0	110.4	L203 N204 L205 G206 S228 W250	L203-E226 PolarHBondContact O-N 3.45Å; N204-E226 HydrophobicContact CB-CB 4.15Å; N204-E226 WeakPolarHBondContact OD1-CG 3.24Å; L205-E226 CarbonylContact C-O 3.28Å; L205-E226 PolarHBondContact N-O 2.85Å; G206-E226 PolarHBondContact N-O 2.89Å; E226-S228 WeakPolarHBondContact OE1-CA 3.33Å; E226-S228 WeakPolarHBondContact OE1-CB 3.07Å; E226-S228 PolarHBondContact OE1-N 2.69Å; E226-S228 PolarHBondContact OE1-OG 3.28Å; E226-W250 HydrophobicContact CB-CE3 3.92Å; E226-W250 HydrophobicContact CG-CE3 4.45Å; E226-W250 WeakPolarHBondContact OE1-CB 3.27Å
227	M	97.3	Very high	95.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.206	C	C	.	.			trans	-134.5	17.9	177.6	-63.8	-169.2	-62.2	0	0	112.5	I213 L225 N230 L232 F240 L249 W250 M251	I213-M227 HydrophobicContact CD1-CE 3.92Å; I213-M227 HydrophobicContact CD1-SD 4.5Å; I213-M227 HydrophobicContact CG1-CE 4.12Å; I213-M227 HydrophobicContact CG1-SD 4.05Å; I213-M227 HydrophobicContact CG2-SD 4.1Å; L225-M227 HydrophobicContact CD1-CG 3.89Å; L225-M227 HydrophobicContact CD1-SD 4.3Å; L225-M227 HydrophobicContact CD2-CE 3.8Å; L225-M227 HydrophobicContact CD2-CG 4.38Å; L225-M227 HydrophobicContact CD2-SD 3.99Å; L225-M227 HydrophobicContact CG-CE 4.22Å; L225-M227 HydrophobicContact CG-CG 3.93Å; L225-M227 HydrophobicContact CG-SD 4.21Å; M227-N230 PolarHBondContact O-ND2 3.07Å; M227-L232 HydrophobicContact CB-CD1 4.32Å; M227-L232 HydrophobicContact CE-CD1 4.47Å; M227-F240 HydrophobicContact CE-CE1 3.53Å; M227-F240 HydrophobicContact CE-CZ 3.75Å; M227-L249 HydrophobicContact CE-CD1 3.89Å; M227-W250 CarbonylContact C-O 3.35Å; M227-W250 PolarHBondContact N-O 2.85Å; M227-M251 HydrophobicContact CB-CG 4.28Å; M227-M251 HydrophobicContact CE-CG 3.92Å; M227-M251 HydrophobicContact CE-SD 3.7Å
228	S	98.3	Very high	95.8	Very high	18 Å²	18	39.3 Å²	39.3	13%	0.126	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	149.2	179.4	-58.5	0	0	0	0	112.3	G206 M207 E226 W250 M252	G206-S228 CarbonylContact C-O 3.12Å; G206-S228 WeakPolarHBondContact CA-O 3.4Å; M207-S228 PolarHBondContact N-O 3.12Å; E226-S228 WeakPolarHBondContact OE1-CA 3.33Å; E226-S228 WeakPolarHBondContact OE1-CB 3.07Å; E226-S228 PolarHBondContact OE1-N 2.69Å; E226-S228 PolarHBondContact OE1-OG 3.28Å; S228-W250 PolarHBondContact N-O 2.85Å; S228-M252 CarbonylContact C-O 3.43Å; S228-M252 WeakPolarHBondContact CA-O 3.42Å; S228-M252 WeakPolarHBondContact CB-O 3.07Å; S228-M252 WeakPolarHBondContact OG-CB 3.27Å; S228-M252 PolarHBondContact OG-N 3.42Å
229	G	97.1	Very high	95.8	Very high	22 Å²	22	38.9 Å²	38.9	23%	0.227	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	24.3	178.9	0	0	0	0	0	114.6	M207 M252 H253	M207-G229 WeakPolarHBondContact CA-O 3.21Å; G229-M252 PolarHBondContact N-O 2.96Å; G229-H253 WeakPolarHBondContact CA-O 3Å
230	N	97.5	Very high	95.6	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.208	C	C	.	.	S	Bend	trans	-98.9	-171.7	171.8	-74.4	-52.2	0	0	0	111.6	L205 C208 N209 L210 M227 L232 A254	L205-N230 PolarHBondContact O-ND2 2.82Å; C208-N230 PolarHBondContact N-OD1 3.47Å; C208-N230 VanDerWaalsContact N-OD1 3.1Å; N209-N230 PolarHBondContact N-OD1 2.86Å; N209-N230 VanDerWaalsContact N-OD1 3.1Å; L210-N230 HydrophobicContact CB-CB 4.17Å; L210-N230 PolarHBondContact N-OD1 3.08Å; M227-N230 PolarHBondContact O-ND2 3.07Å; N230-L232 HydrophobicContact CB-CD1 4.34Å; N230-L232 HydrophobicContact CB-CD2 4.44Å; N230-L232 HydrophobicContact CB-CG 3.92Å; N230-A254 CarbonylContact O-C 3.14Å; N230-A254 VanDerWaalsContact O-CA 3.24Å; N230-A254 WeakPolarHBondContact O-CA 2.96Å
231	Q	96.1	Very high	95.5	Very high	76 Å²	76	36.1 Å²	36.1	36%	0.355	20%	0.195	S	C	.	.			trans	-121	48	-178.5	-57.5	178	20.1	0	0	110.2	L210 K211 S233 A254	L210-Q231 CarbonylContact O-C 3.57Å; L210-Q231 VanDerWaalsContact O-C 3.28Å; L210-Q231 VanDerWaalsContact O-CA 3.31Å; L210-Q231 WeakPolarHBondContact O-CA 3.31Å; L210-Q231 PolarHBondContact O-N 3.02Å; K211-Q231 WeakPolarHBondContact CA-O 3.32Å; Q231-S233 PolarHBondContact O-N 2.73Å; Q231-S233 VanDerWaalsContact O-N 3.11Å; Q231-A254 CarbonylContact C-O 3.04Å
232	L	95.7	Very high	95	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	19%	0.186	C	C	.	.			trans	-82.3	81.7	-176.1	-56.6	178.3	0	0	0	109.6	L210 I213 M227 N230 V234 I235 A254 I256	L210-L232 HydrophobicContact CB-CD2 4.37Å; I213-L232 HydrophobicContact CD1-CD1 4.35Å; I213-L232 HydrophobicContact CG1-CD1 3.95Å; I213-L232 HydrophobicContact CG1-CD2 3.99Å; M227-L232 HydrophobicContact CB-CD1 4.32Å; M227-L232 HydrophobicContact CE-CD1 4.47Å; N230-L232 HydrophobicContact CB-CD1 4.34Å; N230-L232 HydrophobicContact CB-CD2 4.44Å; N230-L232 HydrophobicContact CB-CG 3.92Å; L232-V234 VanDerWaalsContact C-N 3.35Å; L232-V234 PolarHBondContact O-N 2.89Å; L232-I235 HydrophobicContact CB-CD1 4.19Å; L232-A254 HydrophobicContact CB-CB 4.37Å; L232-A254 HydrophobicContact CD1-CB 4.44Å; L232-A254 PolarHBondContact N-O 3.06Å; L232-I256 HydrophobicContact CB-CG1 4.36Å; L232-I256 VanDerWaalsContact O-CA 3.23Å; L232-I256 WeakPolarHBondContact O-CA 3.46Å; L232-I256 WeakPolarHBondContact O-CG1 3.42Å
233	S	95.3	Very high	94.8	Very high	56 Å²	56	31.2 Å²	31.2	39%	0.392	19%	0.186	S	C	.	.			trans	-63.4	-37.5	-174.7	59.5	0	0	0	0	113.9	Q231 Q257 T258	Q231-S233 PolarHBondContact O-N 2.73Å; Q231-S233 VanDerWaalsContact O-N 3.11Å; S233-Q257 PolarHBondContact O-N 2.86Å; S233-T258 PolarHBondContact O-N 3.38Å
234	V	95.3	Very high	94.6	Very high	58 Å²	58	32.2 Å²	32.2	35%	0.352	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.8	-176.9	-177.1	0	0	0	0	110.2	L232 K236 T258 E260	L232-V234 VanDerWaalsContact C-N 3.35Å; L232-V234 PolarHBondContact O-N 2.89Å; V234-K236 HydrophobicContact CG1-CG 4.36Å; V234-T258 WeakPolarHBondContact CA-O 3.49Å; V234-E260 HydrophobicContact CG1-CG 4.05Å
235	I	96.2	Very high	94.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.1	173.3	-55.2	-59.6	0	0	0	109.3	I213 L232 F240 M251 I256 T258 I259 E260 S263 F264	I213-I235 HydrophobicContact CD1-CD1 3.9Å; L232-I235 HydrophobicContact CB-CD1 4.19Å; I235-F240 HydrophobicContact CG2-CD2 4.33Å; I235-F240 HydrophobicContact CG2-CE2 3.56Å; I235-F240 HydrophobicContact CG2-CZ 4.45Å; I235-M251 HydrophobicContact CD1-SD 4Å; I235-I256 HydrophobicContact CD1-CD1 4.16Å; I235-I256 HydrophobicContact CD1-CG1 4.27Å; I235-I256 HydrophobicContact CG1-CD1 4.11Å; I235-I256 HydrophobicContact CG1-CG1 4.26Å; I235-I256 HydrophobicContact CG1-CG2 3.94Å; I235-T258 PolarHBondContact N-O 3.21Å; I235-T258 VanDerWaalsContact N-O 3.08Å; I235-I259 HydrophobicContact CB-CB 4.46Å; I235-I259 HydrophobicContact CB-CG1 4.06Å; I235-I259 HydrophobicContact CB-CG2 4.33Å; I235-I259 HydrophobicContact CG1-CG1 4.09Å; I235-I259 HydrophobicContact CG2-CG2 4.48Å; I235-E260 WeakPolarHBondContact O-CB 3.26Å; I235-E260 WeakPolarHBondContact O-CG 3.31Å; I235-E260 PolarHBondContact O-N 3.04Å; I235-S263 PolarHBondContact O-OG 3Å; I235-F264 HydrophobicContact CG2-CE1 4.09Å; I235-F264 HydrophobicContact CG2-CZ 4.46Å
236	K	93.8	Very high	94.4	Very high	101 Å²	101	32.2 Å²	32.2	44%	0.439	20%	0.2	S	C	.	.			trans	-115.6	158.5	-177.9	-54.5	-174.5	177.2	175.6	0	110.7	V234 S238 S239 E260	V234-K236 HydrophobicContact CG1-CG 4.36Å; K236-S238 VanDerWaalsContact C-N 3.28Å; K236-S238 PolarHBondContact O-N 2.68Å; K236-S239 VanDerWaalsContact O-CB 3.22Å; K236-S239 WeakPolarHBondContact O-CB 3.34Å; K236-S239 PolarHBondContact O-N 2.73Å; K236-S239 VanDerWaalsContact O-N 3.1Å; K236-S239 PolarHBondContact O-OG 2.02Å; K236-E260 WeakPolarHBondContact CG-OE2 3.19Å
237	P	91.3	Very high	94.4	Very high	13 Å²	13	34.2 Å²	34.2	8%	0.084	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-62.4	-35.2	175.1	-16.9	27.3	0	0	0	113.8	S239 F240 T241 R261 H396	P237-S239 PolarHBondContact O-N 3.11Å; P237-S239 VanDerWaalsContact O-N 3.14Å; P237-F240 PolarHBondContact O-N 2.9Å; P237-T241 PolarHBondContact O-OG1 2.94Å; P237-R261 WeakPolarHBondContact CG-O 3.48Å; P237-H396 WeakPolarHBondContact CD-CE1 3.3Å; P237-H396 WeakPolarHBondContact CG-CE1 3.35Å; P237-H396 WeakPolarHBondContact CG-ND1 3.35Å
238	S	89.3	Confident	94.5	Very high	88 Å²	88	36.7 Å²	36.7	62%	0.615	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-64	-18.3	177.6	59.9	0	0	0	0	113.5	K236 F240 T241	K236-S238 VanDerWaalsContact C-N 3.28Å; K236-S238 PolarHBondContact O-N 2.68Å; S238-F240 VanDerWaalsContact C-N 3.28Å; S238-F240 PolarHBondContact O-N 2.88Å; S238-T241 WeakPolarHBondContact CA-OG1 3.47Å
239	S	91.7	Very high	94.5	Very high	22 Å²	22	35.8 Å²	35.8	15%	0.154	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-67.4	-27	-177.7	-60	0	0	0	0	113.5	K236 P237	K236-S239 VanDerWaalsContact O-CB 3.22Å; K236-S239 WeakPolarHBondContact O-CB 3.34Å; K236-S239 PolarHBondContact O-N 2.73Å; K236-S239 VanDerWaalsContact O-N 3.1Å; K236-S239 PolarHBondContact O-OG 2.02Å; P237-S239 PolarHBondContact O-N 3.11Å; P237-S239 VanDerWaalsContact O-N 3.14Å
240	F	92.7	Very high	94.5	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-122.7	13.9	-174.7	-59.3	-64	0	0	0	113.6	I213 I216 L225 M227 I235 P237 S238 G242 L243 L249 M251 F264 L267	I213-F240 HydrophobicContact CD1-CE1 3.96Å; I213-F240 HydrophobicContact CD1-CE2 4.05Å; I213-F240 HydrophobicContact CD1-CZ 3.47Å; I213-F240 VanDerWaalsContact CD1-CZ 3.47Å; I216-F240 HydrophobicContact CD1-CD1 4.29Å; L225-F240 HydrophobicContact CD2-CE1 4.19Å; M227-F240 HydrophobicContact CE-CE1 3.53Å; M227-F240 HydrophobicContact CE-CZ 3.75Å; I235-F240 HydrophobicContact CG2-CD2 4.33Å; I235-F240 HydrophobicContact CG2-CE2 3.56Å; I235-F240 HydrophobicContact CG2-CZ 4.45Å; P237-F240 PolarHBondContact O-N 2.9Å; S238-F240 VanDerWaalsContact C-N 3.28Å; S238-F240 PolarHBondContact O-N 2.88Å; F240-G242 PolarHBondContact O-N 2.89Å; F240-L243 HydrophobicContact CB-CD1 4.39Å; F240-L243 HydrophobicContact CD1-CD1 4.11Å; F240-L243 WeakPolarHBondContact O-CB 3.4Å; F240-L243 PolarHBondContact O-N 2.94Å; F240-L249 HydrophobicContact CE1-CD1 4Å; F240-L249 HydrophobicContact CE1-CD2 4.03Å; F240-L249 HydrophobicContact CE2-CD2 4.3Å; F240-L249 HydrophobicContact CZ-CD1 4.32Å; F240-L249 HydrophobicContact CZ-CD2 3.9Å; F240-M251 HydrophobicContact CE2-CE 4.48Å; F240-M251 HydrophobicContact CZ-CE 4.12Å; F240-M251 HydrophobicContact CZ-SD 3.75Å; F240-F264 HydrophobicContact CD2-CD1 4.07Å; F240-F264 HydrophobicContact CD2-CE1 4.14Å; F240-F264 HydrophobicContact CE2-CD1 4.15Å; F240-F264 AromaticContact CE2-CE1 3.74Å; F240-F264 HydrophobicContact CE2-CE1 3.74Å; F240-L267 HydrophobicContact CB-CD1 4.36Å; F240-L267 HydrophobicContact CB-CD2 3.96Å; F240-L267 HydrophobicContact CB-CG 4.27Å; F240-L267 HydrophobicContact CG-CD1 4.33Å
241	T	89.4	Confident	94.5	Very high	32 Å²	32	36.7 Å²	36.7	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	130.5	-174.7	-59.5	0	0	0	0	112.1	P237 S238 D266	P237-T241 PolarHBondContact O-OG1 2.94Å; S238-T241 WeakPolarHBondContact CA-OG1 3.47Å; T241-D266 VanDerWaalsContact CA-OD2 3.27Å; T241-D266 WeakPolarHBondContact CA-OD2 3.13Å
242	G	86.2	Confident	94.5	Very high	29 Å²	29	35.7 Å²	35.7	30%	0.299	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	0.3	177	0	0	0	0	0	115.9	F240 V244	F240-G242 PolarHBondContact O-N 2.89Å; G242-V244 PolarHBondContact O-N 2.95Å
243	L	93.6	Very high	94.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.227	C	C	.	.			trans	-83.4	52.6	179.2	-61.9	-178.7	0	0	0	113.4	I216 L219 L222 F240 S245 L246 L267	I216-L243 HydrophobicContact CD1-CD1 3.57Å; I216-L243 HydrophobicContact CG1-CD1 4.01Å; L219-L243 HydrophobicContact CB-CD2 4.43Å; L219-L243 WeakPolarHBondContact O-CD2 3.47Å; L222-L243 HydrophobicContact CB-CD2 4.39Å; F240-L243 HydrophobicContact CB-CD1 4.39Å; F240-L243 HydrophobicContact CD1-CD1 4.11Å; F240-L243 WeakPolarHBondContact O-CB 3.4Å; F240-L243 PolarHBondContact O-N 2.94Å; L243-S245 PolarHBondContact O-N 2.8Å; L243-S245 VanDerWaalsContact O-N 3.17Å; L243-L246 HydrophobicContact CB-CB 4.21Å; L243-L246 HydrophobicContact CD1-CD2 4.39Å; L243-L246 WeakPolarHBondContact O-CB 3.36Å; L243-L246 PolarHBondContact O-N 2.76Å; L243-L246 VanDerWaalsContact O-N 3.16Å; L243-L267 HydrophobicContact CB-CD2 3.79Å
244	V	93.4	Very high	94.7	Very high	71 Å²	71	37.7 Å²	37.7	43%	0.43	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.1	-175.1	-60.3	0	0	0	0	114.2	G242 S269	G242-V244 PolarHBondContact O-N 2.95Å; V244-S269 WeakPolarHBondContact O-CB 3.47Å; V244-S269 PolarHBondContact O-OG 2.95Å
245	S	96.6	Very high	94.7	Very high	41 Å²	41	40.4 Å²	40.4	29%	0.287	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.7	-179.5	-55	0	0	0	0	113.4	I220 L222 L243 Q247	I220-S245 PolarHBondContact O-OG 3.3Å; I220-S245 VanDerWaalsContact O-OG 3.04Å; L222-S245 CarbonylContact O-C 3.55Å; L243-S245 PolarHBondContact O-N 2.8Å; L243-S245 VanDerWaalsContact O-N 3.17Å; S245-Q247 PolarHBondContact O-N 3.37Å
246	L	98	Very high	94.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.			trans	-69.6	127.4	-172.1	-163.6	74.5	0	0	0	110.4	L222 L225 L243 L249 L267 S269 L270	L222-L246 HydrophobicContact CB-CD1 4.25Å; L222-L246 HydrophobicContact CD2-CD1 3.99Å; L222-L246 HydrophobicContact CG-CD1 3.93Å; L222-L246 VanDerWaalsContact O-CA 3.23Å; L222-L246 WeakPolarHBondContact O-CA 3.36Å; L222-L246 PolarHBondContact O-N 3.18Å; L222-L246 VanDerWaalsContact O-N 3.14Å; L225-L246 HydrophobicContact CB-CD1 3.84Å; L225-L246 HydrophobicContact CB-CD2 4.42Å; L243-L246 HydrophobicContact CB-CB 4.21Å; L243-L246 HydrophobicContact CD1-CD2 4.39Å; L243-L246 WeakPolarHBondContact O-CB 3.36Å; L243-L246 PolarHBondContact O-N 2.76Å; L243-L246 VanDerWaalsContact O-N 3.16Å; L246-L249 HydrophobicContact CD2-CB 4.14Å; L246-L249 HydrophobicContact CD2-CD1 4.39Å; L246-L267 HydrophobicContact CB-CD2 4.1Å; L246-L267 HydrophobicContact CD2-CD1 4.46Å; L246-L267 HydrophobicContact CD2-CD2 3.8Å; L246-S269 CarbonylContact O-C 3.6Å; L246-L270 HydrophobicContact CD2-CD1 4.28Å; L246-L270 HydrophobicContact CG-CD1 4.35Å; L246-L270 VanDerWaalsContact O-CA 3.3Å; L246-L270 WeakPolarHBondContact O-CA 3.43Å; L246-L270 PolarHBondContact O-N 2.89Å; L246-L270 VanDerWaalsContact O-N 3.11Å
247	Q	98	Very high	94.9	Very high	82 Å²	82	40.6 Å²	40.6	38%	0.383	22%	0.22	S	C	.	.			trans	-109.6	-34.8	-178.1	-63.2	178.7	15.4	0	0	112	E223 S245 V271 E272	E223-Q247 WeakPolarHBondContact O-CA 3.3Å; E223-Q247 PolarHBondContact O-N 2.82Å; S245-Q247 PolarHBondContact O-N 3.37Å; Q247-V271 HydrophobicContact CB-CG2 4.43Å; Q247-V271 PolarHBondContact O-N 3Å; Q247-E272 PolarHBondContact O-N 3.16Å
248	K	98.5	Very high	95.1	Very high	53 Å²	53	42.2 Å²	42.2	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.3	-178.6	-52.6	-174.3	-170.2	153.3	0	110.8	E223 E224 L225 W250 E272	E223-K248 PolarHBondContact O-N 3.14Å; E224-K248 WeakPolarHBondContact CA-O 3.22Å; E224-K248 HydrophobicContact CB-CB 4.48Å; E224-K248 HydrophobicContact CG-CB 4.16Å; E224-K248 HydrophobicContact CG-CD 4.08Å; E224-K248 HydrophobicContact CG-CG 4.23Å; E224-K248 WeakPolarHBondContact OE1-CE 3.31Å; E224-K248 IonicContact OE1-NZ 3.82Å; E224-K248 PolarHBondContact OE1-NZ 3.2Å; L225-K248 PolarHBondContact N-O 3.04Å; K248-W250 HydrophobicContact CB-CH2 4.44Å; K248-W250 HydrophobicContact CB-CZ2 4.05Å; K248-W250 HydrophobicContact CD-CH2 4.04Å; K248-W250 HydrophobicContact CD-CZ2 3.63Å; K248-W250 HydrophobicContact CG-CZ2 4.47Å; K248-E272 WeakPolarHBondContact CA-O 3.09Å; K248-E272 HydrophobicContact CB-CB 4.42Å; K248-E272 HydrophobicContact CG-CB 4.11Å
249	L	98.1	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.5	177.2	178.5	57	0	0	0	109.9	L225 M227 F240 L246 M251 F264 L267 L270 E272 L273 N274	L225-L249 HydrophobicContact CB-CD1 4.15Å; L225-L249 HydrophobicContact CD2-CD1 3.94Å; L225-L249 HydrophobicContact CG-CD1 4.07Å; M227-L249 HydrophobicContact CE-CD1 3.89Å; F240-L249 HydrophobicContact CE1-CD1 4Å; F240-L249 HydrophobicContact CE1-CD2 4.03Å; F240-L249 HydrophobicContact CE2-CD2 4.3Å; F240-L249 HydrophobicContact CZ-CD1 4.32Å; F240-L249 HydrophobicContact CZ-CD2 3.9Å; L246-L249 HydrophobicContact CD2-CB 4.14Å; L246-L249 HydrophobicContact CD2-CD1 4.39Å; L249-M251 HydrophobicContact CD1-CE 4.39Å; L249-M251 HydrophobicContact CD1-CG 4.13Å; L249-M251 HydrophobicContact CD1-SD 4.3Å; L249-M251 HydrophobicContact CD2-CE 3.65Å; L249-M251 HydrophobicContact CD2-SD 4.46Å; L249-M251 HydrophobicContact CG-CE 3.9Å; L249-M251 HydrophobicContact CG-CG 4.35Å; L249-M251 HydrophobicContact CG-SD 4.44Å; L249-F264 HydrophobicContact CD2-CE1 4.27Å; L249-L267 HydrophobicContact CD2-CD1 3.86Å; L249-L270 HydrophobicContact CB-CD1 3.84Å; L249-E272 PolarHBondContact N-O 3.01Å; L249-L273 HydrophobicContact CB-CD1 4.12Å; L249-L273 HydrophobicContact CD2-CD1 3.95Å; L249-L273 HydrophobicContact CG-CD1 4.04Å; L249-N274 PolarHBondContact O-N 3.19Å
250	W	98.3	Very high	95.5	Very high	44 Å²	44	38.6 Å²	38.6	17%	0.167	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.3	179.7	-57	-49.6	0	0	0	111.1	Y202 L225 E226 M227 S228 K248 E272 N274	Y202-W250 HydrophobicContact CE2-CZ3 4.4Å; L225-W250 PolarHBondContact O-N 2.89Å; E226-W250 HydrophobicContact CB-CE3 3.92Å; E226-W250 HydrophobicContact CG-CE3 4.45Å; E226-W250 WeakPolarHBondContact OE1-CB 3.27Å; M227-W250 CarbonylContact C-O 3.35Å; M227-W250 PolarHBondContact N-O 2.85Å; S228-W250 PolarHBondContact N-O 2.85Å; K248-W250 HydrophobicContact CB-CH2 4.44Å; K248-W250 HydrophobicContact CB-CZ2 4.05Å; K248-W250 HydrophobicContact CD-CH2 4.04Å; K248-W250 HydrophobicContact CD-CZ2 3.63Å; K248-W250 HydrophobicContact CG-CZ2 4.47Å; W250-E272 PolarHBondContact NE1-OE1 3.16Å; W250-N274 HydrophobicContact CB-CB 4.47Å; W250-N274 HydrophobicContact CG-CB 4.41Å
251	M	97.1	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.			trans	-135.8	45.8	178.6	-63.1	-175.4	-69.6	0	0	110.1	M227 I235 F240 L249 A254 I256 F264 L273 N274 L275 N278	M227-M251 HydrophobicContact CB-CG 4.28Å; M227-M251 HydrophobicContact CE-CG 3.92Å; M227-M251 HydrophobicContact CE-SD 3.7Å; I235-M251 HydrophobicContact CD1-SD 4Å; F240-M251 HydrophobicContact CE2-CE 4.48Å; F240-M251 HydrophobicContact CZ-CE 4.12Å; F240-M251 HydrophobicContact CZ-SD 3.75Å; L249-M251 HydrophobicContact CD1-CE 4.39Å; L249-M251 HydrophobicContact CD1-CG 4.13Å; L249-M251 HydrophobicContact CD1-SD 4.3Å; L249-M251 HydrophobicContact CD2-CE 3.65Å; L249-M251 HydrophobicContact CD2-SD 4.46Å; L249-M251 HydrophobicContact CG-CE 3.9Å; L249-M251 HydrophobicContact CG-CG 4.35Å; L249-M251 HydrophobicContact CG-SD 4.44Å; M251-A254 HydrophobicContact CB-CB 4.34Å; M251-I256 HydrophobicContact CB-CD1 3.88Å; M251-I256 HydrophobicContact SD-CD1 4.34Å; M251-F264 HydrophobicContact CE-CE1 4.06Å; M251-F264 HydrophobicContact CE-CZ 4.1Å; M251-L273 HydrophobicContact CE-CD1 4.28Å; M251-N274 CarbonylContact C-O 3.23Å; M251-N274 WeakPolarHBondContact CA-O 3.38Å; M251-N274 PolarHBondContact N-O 3.27Å; M251-L275 HydrophobicContact CB-CD2 4.34Å; M251-L275 HydrophobicContact CE-CD2 3.59Å; M251-N278 PolarHBondContact O-ND2 3.47Å
252	M	96.6	Very high	95.8	Very high	55 Å²	55	38.3 Å²	38.3	27%	0.271	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	142.6	178.5	-171.2	-169.7	179	0	0	110.1	S228 G229 A254 A276 H277	S228-M252 CarbonylContact C-O 3.43Å; S228-M252 WeakPolarHBondContact CA-O 3.42Å; S228-M252 WeakPolarHBondContact CB-O 3.07Å; S228-M252 WeakPolarHBondContact OG-CB 3.27Å; S228-M252 PolarHBondContact OG-N 3.42Å; G229-M252 PolarHBondContact N-O 2.96Å; M252-A254 PolarHBondContact O-N 2.98Å; M252-A254 VanDerWaalsContact O-N 3.14Å; M252-A276 VanDerWaalsContact CA-O 3.26Å; M252-A276 WeakPolarHBondContact CA-O 3.23Å; M252-A276 HydrophobicContact CG-CB 4.23Å; M252-A276 WeakPolarHBondContact CG-O 3.16Å; M252-H277 WeakPolarHBondContact CE-CD2 3.49Å; M252-H277 HydrophobicContact CG-CB 4.42Å
253	H	96.9	Very high	96.2	Very high	100 Å²	100	37 Å²	37	46%	0.463	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	33.6	179	-69.6	-76.7	0	0	0	114	G229 A276 H277	G229-H253 WeakPolarHBondContact CA-O 3Å; H253-A276 PolarHBondContact N-O 2.74Å; H253-A276 VanDerWaalsContact N-O 3.1Å; H253-H277 VanDerWaalsContact CA-O 3.29Å; H253-H277 WeakPolarHBondContact CA-O 3.47Å; H253-H277 WeakPolarHBondContact CE1-CB 3.37Å; H253-H277 AromaticContact CE1-CG 3.41Å; H253-H277 VanDerWaalsContact CE1-CG 3.41Å; H253-H277 AromaticContact CE1-ND1 3.46Å; H253-H277 PolarHBondContact CE1-ND1 2.89Å; H253-H277 PolarHBondContact N-O 2.97Å; H253-H277 WeakPolarHBondContact ND1-CB 3.28Å; H253-H277 AromaticContact NE2-CD2 3.86Å; H253-H277 AromaticContact NE2-CG 3.41Å; H253-H277 AromaticContact NE2-ND1 3.66Å
254	A	96.9	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-93.2	4	-177.1	0	0	0	0	0	113.6	N230 Q231 L232 M251 M252 I256 N278	N230-A254 CarbonylContact O-C 3.14Å; N230-A254 VanDerWaalsContact O-CA 3.24Å; N230-A254 WeakPolarHBondContact O-CA 2.96Å; Q231-A254 CarbonylContact C-O 3.04Å; L232-A254 HydrophobicContact CB-CB 4.37Å; L232-A254 HydrophobicContact CD1-CB 4.44Å; L232-A254 PolarHBondContact N-O 3.06Å; M251-A254 HydrophobicContact CB-CB 4.34Å; M252-A254 PolarHBondContact O-N 2.98Å; M252-A254 VanDerWaalsContact O-N 3.14Å; A254-I256 HydrophobicContact CB-CD1 4.02Å; A254-I256 HydrophobicContact CB-CG1 3.91Å; A254-I256 PolarHBondContact O-N 2.97Å; A254-N278 WeakPolarHBondContact CA-OD1 3.24Å; A254-N278 PolarHBondContact N-OD1 3Å
255	Q	96.4	Very high	96.3	Very high	115 Å²	115	35 Å²	35	54%	0.537	17%	0.171	S	C	.	.			trans	59.2	27.6	-176.7	-53.2	-172.7	-43.6	0	0	114.3	Q257 N278	Q255-Q257 PolarHBondContact O-N 2.79Å; Q255-N278 PolarHBondContact N-OD1 3.03Å
256	I	97.6	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.			trans	-65.3	127.1	179.6	-56.3	163.3	0	0	0	109.4	L232 I235 M251 A254 I259 L275 N278 N279 L280	L232-I256 HydrophobicContact CB-CG1 4.36Å; L232-I256 VanDerWaalsContact O-CA 3.23Å; L232-I256 WeakPolarHBondContact O-CA 3.46Å; L232-I256 WeakPolarHBondContact O-CG1 3.42Å; I235-I256 HydrophobicContact CD1-CD1 4.16Å; I235-I256 HydrophobicContact CD1-CG1 4.27Å; I235-I256 HydrophobicContact CG1-CD1 4.11Å; I235-I256 HydrophobicContact CG1-CG1 4.26Å; I235-I256 HydrophobicContact CG1-CG2 3.94Å; M251-I256 HydrophobicContact CB-CD1 3.88Å; M251-I256 HydrophobicContact SD-CD1 4.34Å; A254-I256 HydrophobicContact CB-CD1 4.02Å; A254-I256 HydrophobicContact CB-CG1 3.91Å; A254-I256 PolarHBondContact O-N 2.97Å; I256-I259 HydrophobicContact CG2-CG1 3.96Å; I256-L275 HydrophobicContact CD1-CD2 3.96Å; I256-N278 HydrophobicContact CB-CB 4.08Å; I256-N278 PolarHBondContact N-OD1 3.24Å; I256-N279 CarbonylContact O-C 3.14Å; I256-N279 VanDerWaalsContact O-C 3.23Å; I256-N279 WeakPolarHBondContact O-CA 3.47Å; I256-N279 PolarHBondContact O-N 2.95Å; I256-L280 HydrophobicContact CB-CD2 4.41Å; I256-L280 HydrophobicContact CG2-CD2 3.71Å; I256-L280 HydrophobicContact CG2-CG 4.41Å; I256-L280 PolarHBondContact O-N 2.8Å
257	Q	96	Very high	95.9	Very high	106 Å²	106	35.3 Å²	35.3	50%	0.495	17%	0.169	S	C	.	.			trans	-104.4	-40.5	175.9	-60.1	-177.5	15.2	0	0	111.1	S233 Q255 N279	S233-Q257 PolarHBondContact O-N 2.86Å; Q255-Q257 PolarHBondContact O-N 2.79Å; Q257-N279 HydrophobicContact CG-CB 4.26Å
258	T	95	Very high	95.6	Very high	47 Å²	47	36.9 Å²	36.9	29%	0.288	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.1	-174.4	-50.4	0	0	0	0	110.7	S233 V234 I235 F282	S233-T258 PolarHBondContact O-N 3.38Å; V234-T258 WeakPolarHBondContact CA-O 3.49Å; I235-T258 PolarHBondContact N-O 3.21Å; I235-T258 VanDerWaalsContact N-O 3.08Å; T258-F282 HydrophobicContact CG2-CE2 4.46Å
259	I	96.2	Very high	95.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.2	166.8	-63.4	169.4	0	0	0	106.6	I235 I256 F264 L275 L280 L283 P284 L287	I235-I259 HydrophobicContact CB-CB 4.46Å; I235-I259 HydrophobicContact CB-CG1 4.06Å; I235-I259 HydrophobicContact CB-CG2 4.33Å; I235-I259 HydrophobicContact CG1-CG1 4.09Å; I235-I259 HydrophobicContact CG2-CG2 4.48Å; I256-I259 HydrophobicContact CG2-CG1 3.96Å; I259-F264 HydrophobicContact CD1-CE2 4.16Å; I259-F264 HydrophobicContact CD1-CZ 4.07Å; I259-F264 HydrophobicContact CG2-CE2 4.1Å; I259-F264 HydrophobicContact CG2-CZ 4.15Å; I259-L275 HydrophobicContact CD1-CD1 3.79Å; I259-L275 HydrophobicContact CD1-CD2 4.18Å; I259-L280 HydrophobicContact CD1-CD1 4.15Å; I259-L280 HydrophobicContact CD1-CD2 3.96Å; I259-L280 HydrophobicContact CG1-CD2 4.01Å; I259-L283 HydrophobicContact CD1-CD2 3.69Å; I259-P284 WeakPolarHBondContact O-CD 3.35Å; I259-P284 WeakPolarHBondContact O-CG 3.5Å; I259-L287 HydrophobicContact CG2-CD1 4.34Å; I259-L287 HydrophobicContact CG2-CD2 3.95Å
260	E	94.9	Very high	95.5	Very high	31 Å²	31	35.5 Å²	35.5	15%	0.145	17%	0.173	C	C	.	.			trans	-74	162.6	179.5	-63.8	-172.6	160	0	0	111.7	V234 I235 K236 S263 H396 N407	V234-E260 HydrophobicContact CG1-CG 4.05Å; I235-E260 WeakPolarHBondContact O-CB 3.26Å; I235-E260 WeakPolarHBondContact O-CG 3.31Å; I235-E260 PolarHBondContact O-N 3.04Å; K236-E260 WeakPolarHBondContact CG-OE2 3.19Å; E260-S263 VanDerWaalsContact C-OG 3.28Å; E260-S263 PolarHBondContact N-OG 2.91Å; E260-S263 VanDerWaalsContact O-CB 3.28Å; E260-S263 WeakPolarHBondContact O-CB 3.49Å; E260-S263 PolarHBondContact O-N 3.15Å; E260-S263 PolarHBondContact O-OG 3.15Å; E260-H396 IonicContact OE2-CE1 2.84Å; E260-H396 PolarHBondContact OE2-CE1 2.98Å; E260-H396 VanDerWaalsContact OE2-CE1 3.29Å; E260-H396 IonicContact OE2-NE2 2.96Å; E260-N407 PolarHBondContact OE1-ND2 3.02Å
261	R	92.8	Very high	95.4	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.023	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	143.2	179.4	-64.2	178.7	-173.7	85.4	-16.5	111.2	P237 S263 P284 S379 T382 H396 N407	P237-R261 WeakPolarHBondContact CG-O 3.48Å; R261-S263 PolarHBondContact O-N 3.5Å; R261-S263 VanDerWaalsContact O-N 3.07Å; R261-P284 HydrophobicContact CG-CB 4.3Å; R261-S379 PolarHBondContact NH2-O 3.29Å; R261-T382 WeakPolarHBondContact CD-O 3.31Å; R261-T382 PolarHBondContact NE-O 3.34Å; R261-H396 HydrophobicContact CB-CB 4.15Å; R261-H396 PolarHBondContact O-ND1 3.36Å; R261-N407 PolarHBondContact NH1-O 3.24Å; R261-N407 PolarHBondContact NH1-OD1 2.77Å; R261-N407 VanDerWaalsContact NH1-OD1 3.1Å
262	N	93.7	Very high	95.3	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.112	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	19.7	175.7	-52.1	98.8	0	0	0	114.2	F264 D265 H396 G397	N262-F264 PolarHBondContact O-N 3.22Å; N262-F264 VanDerWaalsContact O-N 3.12Å; N262-D265 VanDerWaalsContact CA-OD1 3.22Å; N262-D265 WeakPolarHBondContact CA-OD1 3.36Å; N262-D265 VanDerWaalsContact CB-OD2 3.31Å; N262-D265 WeakPolarHBondContact CB-OD2 3.41Å; N262-D265 PolarHBondContact ND2-OD2 3.41Å; N262-D265 PolarHBondContact O-N 2.89Å; N262-H396 HydrophobicContact CB-CB 4.39Å; N262-H396 PolarHBondContact OD1-N 2.83Å; N262-G397 VanDerWaalsContact CB-N 3.34Å
263	S	95.1	Very high	95.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.1	-174.5	-72	0	0	0	0	114.4	I235 E260 R261	I235-S263 PolarHBondContact O-OG 3Å; E260-S263 VanDerWaalsContact C-OG 3.28Å; E260-S263 PolarHBondContact N-OG 2.91Å; E260-S263 VanDerWaalsContact O-CB 3.28Å; E260-S263 WeakPolarHBondContact O-CB 3.49Å; E260-S263 PolarHBondContact O-N 3.15Å; E260-S263 PolarHBondContact O-OG 3.15Å; R261-S263 PolarHBondContact O-N 3.5Å; R261-S263 VanDerWaalsContact O-N 3.07Å
264	F	95.7	Very high	95.2	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	0.9	-176.7	-58.3	-43.3	0	0	0	113.8	I235 F240 L249 M251 I259 N262 D266 L267 L273 L275 L287 F288 L291	I235-F264 HydrophobicContact CG2-CE1 4.09Å; I235-F264 HydrophobicContact CG2-CZ 4.46Å; F240-F264 HydrophobicContact CD2-CD1 4.07Å; F240-F264 HydrophobicContact CD2-CE1 4.14Å; F240-F264 HydrophobicContact CE2-CD1 4.15Å; F240-F264 AromaticContact CE2-CE1 3.74Å; F240-F264 HydrophobicContact CE2-CE1 3.74Å; L249-F264 HydrophobicContact CD2-CE1 4.27Å; M251-F264 HydrophobicContact CE-CE1 4.06Å; M251-F264 HydrophobicContact CE-CZ 4.1Å; I259-F264 HydrophobicContact CD1-CE2 4.16Å; I259-F264 HydrophobicContact CD1-CZ 4.07Å; I259-F264 HydrophobicContact CG2-CE2 4.1Å; I259-F264 HydrophobicContact CG2-CZ 4.15Å; N262-F264 PolarHBondContact O-N 3.22Å; N262-F264 VanDerWaalsContact O-N 3.12Å; F264-D266 PolarHBondContact O-N 3.34Å; F264-D266 VanDerWaalsContact O-N 3.09Å; F264-L267 HydrophobicContact CB-CD1 4.21Å; F264-L267 HydrophobicContact CD1-CD1 3.83Å; F264-L267 HydrophobicContact CG-CD1 4.38Å; F264-L267 VanDerWaalsContact O-CB 3.29Å; F264-L267 WeakPolarHBondContact O-CB 3.17Å; F264-L267 PolarHBondContact O-N 3.11Å; F264-L273 HydrophobicContact CD2-CD2 4.31Å; F264-L273 HydrophobicContact CE2-CD2 3.99Å; F264-L273 HydrophobicContact CZ-CD2 4.48Å; F264-L275 HydrophobicContact CE2-CD1 4.46Å; F264-L287 HydrophobicContact CD2-CD1 3.8Å; F264-L287 HydrophobicContact CD2-CD2 3.81Å; F264-L287 HydrophobicContact CD2-CG 3.76Å; F264-L287 HydrophobicContact CE2-CD1 4.41Å; F264-L287 HydrophobicContact CE2-CD2 3.75Å; F264-L287 HydrophobicContact CE2-CG 4.24Å; F264-L287 HydrophobicContact CG-CD1 4.42Å; F264-F288 HydrophobicContact CD2-CE1 4.39Å; F264-F288 HydrophobicContact CE2-CE1 4.49Å; F264-L291 HydrophobicContact CB-CD1 4.06Å; F264-L291 WeakPolarHBondContact O-CD2 3.22Å
265	D	93	Very high	95.2	Very high	29 Å²	29	29.4 Å²	29.4	16%	0.155	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32	-171	-71.8	21	0	0	0	113.8	N262 L267	N262-D265 VanDerWaalsContact CA-OD1 3.22Å; N262-D265 WeakPolarHBondContact CA-OD1 3.36Å; N262-D265 VanDerWaalsContact CB-OD2 3.31Å; N262-D265 WeakPolarHBondContact CB-OD2 3.41Å; N262-D265 PolarHBondContact ND2-OD2 3.41Å; N262-D265 PolarHBondContact O-N 2.89Å; D265-L267 VanDerWaalsContact C-N 3.26Å; D265-L267 PolarHBondContact O-N 3.4Å
266	D	91.3	Very high	95.2	Very high	47 Å²	47	24 Å²	24	25%	0.251	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.8	178.2	-76.9	-11.9	0	0	0	113.4	T241 F264 Q268	T241-D266 VanDerWaalsContact CA-OD2 3.27Å; T241-D266 WeakPolarHBondContact CA-OD2 3.13Å; F264-D266 PolarHBondContact O-N 3.34Å; F264-D266 VanDerWaalsContact O-N 3.09Å; D266-Q268 PolarHBondContact O-N 3.05Å
267	L	95.1	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.			trans	-83.9	49.7	-174.9	-57.1	-179.3	0	0	0	112.6	F240 L243 L246 L249 F264 D265 S269 L270 L291	F240-L267 HydrophobicContact CB-CD1 4.36Å; F240-L267 HydrophobicContact CB-CD2 3.96Å; F240-L267 HydrophobicContact CB-CG 4.27Å; F240-L267 HydrophobicContact CG-CD1 4.33Å; L243-L267 HydrophobicContact CB-CD2 3.79Å; L246-L267 HydrophobicContact CB-CD2 4.1Å; L246-L267 HydrophobicContact CD2-CD1 4.46Å; L246-L267 HydrophobicContact CD2-CD2 3.8Å; L249-L267 HydrophobicContact CD2-CD1 3.86Å; F264-L267 HydrophobicContact CB-CD1 4.21Å; F264-L267 HydrophobicContact CD1-CD1 3.83Å; F264-L267 HydrophobicContact CG-CD1 4.38Å; F264-L267 VanDerWaalsContact O-CB 3.29Å; F264-L267 WeakPolarHBondContact O-CB 3.17Å; F264-L267 PolarHBondContact O-N 3.11Å; D265-L267 VanDerWaalsContact C-N 3.26Å; D265-L267 PolarHBondContact O-N 3.4Å; L267-S269 PolarHBondContact O-N 2.93Å; L267-L270 HydrophobicContact CB-CB 4.08Å; L267-L270 HydrophobicContact CB-CD2 4.37Å; L267-L270 HydrophobicContact CD1-CD1 4.5Å; L267-L270 HydrophobicContact CD1-CD2 4.11Å; L267-L270 WeakPolarHBondContact O-CB 3.41Å; L267-L270 PolarHBondContact O-N 3.33Å; L267-L291 HydrophobicContact CB-CD2 4.11Å; L267-L291 VanDerWaalsContact O-CD2 3.24Å; L267-L291 WeakPolarHBondContact O-CD2 3.34Å
268	Q	93.2	Very high	95.2	Very high	116 Å²	116	22 Å²	22	54%	0.542	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.2	-171.3	-61.8	174.7	17.5	0	0	115.1	D266	D266-Q268 PolarHBondContact O-N 3.05Å
269	S	96.8	Very high	95.3	Very high	23 Å²	23	23.6 Å²	23.6	16%	0.161	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	6.8	177.2	-58	0	0	0	0	114.1	V244 L246 L267 V271 R293	V244-S269 WeakPolarHBondContact O-CB 3.47Å; V244-S269 PolarHBondContact O-OG 2.95Å; L246-S269 CarbonylContact O-C 3.6Å; L267-S269 PolarHBondContact O-N 2.93Å; S269-V271 PolarHBondContact O-N 3.42Å; S269-R293 PolarHBondContact OG-NH1 2.7Å; S269-R293 VanDerWaalsContact OG-NH1 3.08Å
270	L	97.3	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.			trans	-67.7	126.9	-174.1	-159.8	71.7	0	0	0	111	L246 L249 L267 L273 L291 R293 L294	L246-L270 HydrophobicContact CD2-CD1 4.28Å; L246-L270 HydrophobicContact CG-CD1 4.35Å; L246-L270 VanDerWaalsContact O-CA 3.3Å; L246-L270 WeakPolarHBondContact O-CA 3.43Å; L246-L270 PolarHBondContact O-N 2.89Å; L246-L270 VanDerWaalsContact O-N 3.11Å; L249-L270 HydrophobicContact CB-CD1 3.84Å; L267-L270 HydrophobicContact CB-CB 4.08Å; L267-L270 HydrophobicContact CB-CD2 4.37Å; L267-L270 HydrophobicContact CD1-CD1 4.5Å; L267-L270 HydrophobicContact CD1-CD2 4.11Å; L267-L270 WeakPolarHBondContact O-CB 3.41Å; L267-L270 PolarHBondContact O-N 3.33Å; L270-L273 HydrophobicContact CD2-CB 4.07Å; L270-L273 HydrophobicContact CD2-CD1 4.45Å; L270-L291 HydrophobicContact CD2-CD1 4.29Å; L270-R293 CarbonylContact O-C 3.56Å; L270-L294 HydrophobicContact CD2-CD1 4.14Å; L270-L294 HydrophobicContact CG-CD1 4.18Å; L270-L294 VanDerWaalsContact O-CA 3.26Å; L270-L294 WeakPolarHBondContact O-CA 3.43Å; L270-L294 PolarHBondContact O-N 2.8Å; L270-L294 VanDerWaalsContact O-N 3.13Å
271	V	95.6	Very high	95.4	Very high	30 Å²	30	24.3 Å²	24.3	18%	0.182	13%	0.128	C	C	.	.			trans	-109.9	-36.4	179.7	179.6	0	0	0	0	110.9	Q247 S269 R293 E295 R296	Q247-V271 HydrophobicContact CB-CG2 4.43Å; Q247-V271 PolarHBondContact O-N 3Å; S269-V271 PolarHBondContact O-N 3.42Å; V271-R293 WeakPolarHBondContact CA-O 3.26Å; V271-R293 HydrophobicContact CG2-CB 4.46Å; V271-E295 HydrophobicContact CG1-CB 4.33Å; V271-E295 HydrophobicContact CG1-CG 4.49Å; V271-E295 PolarHBondContact O-N 3.5Å; V271-R296 PolarHBondContact O-N 3.04Å
272	E	95.3	Very high	95.4	Very high	20 Å²	20	26.2 Å²	26.2	9%	0.093	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.4	-175.7	-169.3	-177.5	146.6	0	0	111.6	Q247 K248 L249 W250 R296	Q247-E272 PolarHBondContact O-N 3.16Å; K248-E272 WeakPolarHBondContact CA-O 3.09Å; K248-E272 HydrophobicContact CB-CB 4.42Å; K248-E272 HydrophobicContact CG-CB 4.11Å; L249-E272 PolarHBondContact N-O 3.01Å; W250-E272 PolarHBondContact NE1-OE1 3.16Å; E272-R296 CarbonylContact C-O 3.47Å; E272-R296 VanDerWaalsContact CA-O 3.27Å; E272-R296 WeakPolarHBondContact CA-O 3.44Å; E272-R296 HydrophobicContact CB-CB 4.39Å; E272-R296 HydrophobicContact CG-CB 4.06Å; E272-R296 IonicContact OE2-CZ 3.83Å; E272-R296 IonicContact OE2-NH1 3.52Å; E272-R296 PolarHBondContact OE2-NH1 3.16Å; E272-R296 IonicContact OE2-NH2 3.5Å; E272-R296 PolarHBondContact OE2-NH2 3.03Å
273	L	95.9	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.1	176.7	176.9	59.6	0	0	0	110.6	L249 M251 F264 L270 L275 F288 L294 R296 V297 H298	L249-L273 HydrophobicContact CB-CD1 4.12Å; L249-L273 HydrophobicContact CD2-CD1 3.95Å; L249-L273 HydrophobicContact CG-CD1 4.04Å; M251-L273 HydrophobicContact CE-CD1 4.28Å; F264-L273 HydrophobicContact CD2-CD2 4.31Å; F264-L273 HydrophobicContact CE2-CD2 3.99Å; F264-L273 HydrophobicContact CZ-CD2 4.48Å; L270-L273 HydrophobicContact CD2-CB 4.07Å; L270-L273 HydrophobicContact CD2-CD1 4.45Å; L273-L275 HydrophobicContact CD1-CD2 4.32Å; L273-L275 HydrophobicContact CD1-CG 4.07Å; L273-L275 HydrophobicContact CD2-CD1 3.93Å; L273-L275 HydrophobicContact CD2-CG 4.32Å; L273-L275 HydrophobicContact CG-CD1 4.19Å; L273-L275 HydrophobicContact CG-CG 4.02Å; L273-F288 HydrophobicContact CD2-CE1 3.75Å; L273-F288 HydrophobicContact CD2-CZ 4.27Å; L273-L294 HydrophobicContact CB-CD1 4.04Å; L273-R296 PolarHBondContact N-O 2.82Å; L273-V297 HydrophobicContact CB-CG1 4.43Å; L273-V297 CarbonylContact O-C 3.11Å; L273-V297 VanDerWaalsContact O-CA 3.27Å; L273-V297 WeakPolarHBondContact O-CA 3.32Å; L273-H298 PolarHBondContact O-N 3.24Å
274	N	95.9	Very high	95.4	Very high	22 Å²	22	25.4 Å²	25.4	12%	0.118	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.2	175.6	-170.2	-13.6	0	0	0	111.7	L249 W250 M251 A276 H298	L249-N274 PolarHBondContact O-N 3.19Å; W250-N274 HydrophobicContact CB-CB 4.47Å; W250-N274 HydrophobicContact CG-CB 4.41Å; M251-N274 CarbonylContact C-O 3.23Å; M251-N274 WeakPolarHBondContact CA-O 3.38Å; M251-N274 PolarHBondContact N-O 3.27Å; N274-A276 WeakPolarHBondContact OD1-CB 3.49Å; N274-A276 PolarHBondContact OD1-N 3.04Å; N274-H298 HydrophobicContact CB-CB 4.17Å; N274-H298 WeakPolarHBondContact OD1-CB 3.39Å
275	L	96.4	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.			trans	-114.8	19.6	175.3	-65.8	172.5	0	0	0	111.4	M251 I256 I259 F264 L273 N278 L280 H298 L299 N302	M251-L275 HydrophobicContact CB-CD2 4.34Å; M251-L275 HydrophobicContact CE-CD2 3.59Å; I256-L275 HydrophobicContact CD1-CD2 3.96Å; I259-L275 HydrophobicContact CD1-CD1 3.79Å; I259-L275 HydrophobicContact CD1-CD2 4.18Å; F264-L275 HydrophobicContact CE2-CD1 4.46Å; L273-L275 HydrophobicContact CD1-CD2 4.32Å; L273-L275 HydrophobicContact CD1-CG 4.07Å; L273-L275 HydrophobicContact CD2-CD1 3.93Å; L273-L275 HydrophobicContact CD2-CG 4.32Å; L273-L275 HydrophobicContact CG-CD1 4.19Å; L273-L275 HydrophobicContact CG-CG 4.02Å; L275-N278 VanDerWaalsContact C-ND2 3.28Å; L275-N278 PolarHBondContact O-ND2 3.26Å; L275-L280 HydrophobicContact CB-CD1 4.09Å; L275-L280 HydrophobicContact CD1-CD1 4.28Å; L275-H298 CarbonylContact C-O 3.49Å; L275-H298 WeakPolarHBondContact CA-O 3.45Å; L275-H298 PolarHBondContact N-O 3.22Å; L275-L299 HydrophobicContact CB-CD2 4.1Å; L275-L299 HydrophobicContact CD1-CD2 4.04Å; L275-N302 PolarHBondContact O-ND2 3.41Å
276	A	95.8	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	153.5	-175	0	0	0	0	0	112.6	M252 H253 N274 N278 H298 H300	M252-A276 VanDerWaalsContact CA-O 3.26Å; M252-A276 WeakPolarHBondContact CA-O 3.23Å; M252-A276 HydrophobicContact CG-CB 4.23Å; M252-A276 WeakPolarHBondContact CG-O 3.16Å; H253-A276 PolarHBondContact N-O 2.74Å; H253-A276 VanDerWaalsContact N-O 3.1Å; N274-A276 WeakPolarHBondContact OD1-CB 3.49Å; N274-A276 PolarHBondContact OD1-N 3.04Å; A276-N278 VanDerWaalsContact C-N 3.32Å; A276-N278 PolarHBondContact O-N 3.37Å; A276-N278 PolarHBondContact O-ND2 3.13Å; A276-H298 HydrophobicContact CB-CB 4.19Å; A276-H298 PolarHBondContact N-O 3.35Å; A276-H298 VanDerWaalsContact N-O 3.11Å; A276-H300 VanDerWaalsContact CA-O 3.29Å; A276-H300 WeakPolarHBondContact CA-O 3.35Å; A276-H300 WeakPolarHBondContact CB-CE1 3.47Å; A276-H300 WeakPolarHBondContact CB-ND1 3.23Å
277	H	96.6	Very high	95.4	Very high	51 Å²	51	25.9 Å²	25.9	24%	0.236	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	42.2	178.8	-59.2	-98.3	0	0	0	113.9	M252 H253 H300 H301	M252-H277 WeakPolarHBondContact CE-CD2 3.49Å; M252-H277 HydrophobicContact CG-CB 4.42Å; H253-H277 VanDerWaalsContact CA-O 3.29Å; H253-H277 WeakPolarHBondContact CA-O 3.47Å; H253-H277 WeakPolarHBondContact CE1-CB 3.37Å; H253-H277 AromaticContact CE1-CG 3.41Å; H253-H277 VanDerWaalsContact CE1-CG 3.41Å; H253-H277 AromaticContact CE1-ND1 3.46Å; H253-H277 PolarHBondContact CE1-ND1 2.89Å; H253-H277 PolarHBondContact N-O 2.97Å; H253-H277 WeakPolarHBondContact ND1-CB 3.28Å; H253-H277 AromaticContact NE2-CD2 3.86Å; H253-H277 AromaticContact NE2-CG 3.41Å; H253-H277 AromaticContact NE2-ND1 3.66Å; H277-H300 AromaticContact CD2-CE1 3.59Å; H277-H300 AromaticContact CD2-ND1 3.71Å; H277-H300 PolarHBondContact N-O 3.07Å; H277-H300 AromaticContact NE2-CE1 3.35Å; H277-H300 PolarHBondContact NE2-CE1 3.24Å; H277-H300 VanDerWaalsContact NE2-CE1 3.35Å; H277-H300 AromaticContact NE2-ND1 3.49Å; H277-H300 PolarHBondContact NE2-ND1 3.41Å; H277-H301 VanDerWaalsContact CA-O 3.24Å; H277-H301 WeakPolarHBondContact CA-O 3.24Å; H277-H301 HydrophobicContact CB-CB 4.31Å; H277-H301 AromaticContact CE1-CD2 3.37Å; H277-H301 PolarHBondContact CE1-CD2 3.08Å; H277-H301 AromaticContact CE1-CE1 3.74Å; H277-H301 AromaticContact CE1-CG 3.22Å; H277-H301 AromaticContact CE1-ND1 3.48Å; H277-H301 PolarHBondContact CE1-ND1 3.34Å; H277-H301 AromaticContact CE1-NE2 3.71Å; H277-H301 PolarHBondContact N-O 3.08Å; H277-H301 WeakPolarHBondContact ND1-CB 3.38Å; H277-H301 AromaticContact ND1-CD2 3.76Å; H277-H301 AromaticContact ND1-CG 3.55Å; H277-H301 AromaticContact NE2-CE1 3.93Å; H277-H301 AromaticContact NE2-CG 3.61Å; H277-H301 AromaticContact NE2-ND1 3.48Å; H277-H301 PolarHBondContact NE2-ND1 2.92Å
278	N	97.9	Very high	95.4	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	13%	0.134	C	C	.	.	S	Bend	trans	-107	-170.5	170	-75.4	-67.2	0	0	0	110.3	M251 A254 Q255 I256 L275 A276 L280 N302	M251-N278 PolarHBondContact O-ND2 3.47Å; A254-N278 WeakPolarHBondContact CA-OD1 3.24Å; A254-N278 PolarHBondContact N-OD1 3Å; Q255-N278 PolarHBondContact N-OD1 3.03Å; I256-N278 HydrophobicContact CB-CB 4.08Å; I256-N278 PolarHBondContact N-OD1 3.24Å; L275-N278 VanDerWaalsContact C-ND2 3.28Å; L275-N278 PolarHBondContact O-ND2 3.26Å; A276-N278 VanDerWaalsContact C-N 3.32Å; A276-N278 PolarHBondContact O-N 3.37Å; A276-N278 PolarHBondContact O-ND2 3.13Å; N278-L280 HydrophobicContact CB-CD1 4.33Å; N278-L280 HydrophobicContact CB-CG 4.17Å; N278-N302 WeakPolarHBondContact CA-OD1 3.4Å; N278-N302 WeakPolarHBondContact CB-OD1 3.36Å; N278-N302 PolarHBondContact N-OD1 3.2Å; N278-N302 PolarHBondContact O-OD1 3.23Å
279	N	97.4	Very high	95.2	Very high	82 Å²	82	23.8 Å²	23.8	44%	0.439	13%	0.129	S	C	.	.			trans	-110.8	34	177.8	-163.3	51.8	0	0	0	111.2	I256 Q257	I256-N279 CarbonylContact O-C 3.14Å; I256-N279 VanDerWaalsContact O-C 3.23Å; I256-N279 WeakPolarHBondContact O-CA 3.47Å; I256-N279 PolarHBondContact O-N 2.95Å; Q257-N279 HydrophobicContact CG-CB 4.26Å
280	L	96.4	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.			trans	-73.3	130.6	-179.9	-65.1	166.7	0	0	0	110.3	I256 I259 L275 N278 L283 N302 P303 W304	I256-L280 HydrophobicContact CB-CD2 4.41Å; I256-L280 HydrophobicContact CG2-CD2 3.71Å; I256-L280 HydrophobicContact CG2-CG 4.41Å; I256-L280 PolarHBondContact O-N 2.8Å; I259-L280 HydrophobicContact CD1-CD1 4.15Å; I259-L280 HydrophobicContact CD1-CD2 3.96Å; I259-L280 HydrophobicContact CG1-CD2 4.01Å; L275-L280 HydrophobicContact CB-CD1 4.09Å; L275-L280 HydrophobicContact CD1-CD1 4.28Å; N278-L280 HydrophobicContact CB-CD1 4.33Å; N278-L280 HydrophobicContact CB-CG 4.17Å; L280-L283 HydrophobicContact CD1-CD2 4.38Å; L280-N302 HydrophobicContact CB-CB 4.18Å; L280-N302 WeakPolarHBondContact CB-OD1 3.34Å; L280-N302 PolarHBondContact N-OD1 3.1Å; L280-N302 VanDerWaalsContact N-OD1 3.14Å; L280-P303 CarbonylContact O-C 3.06Å; L280-P303 WeakPolarHBondContact O-CD 3.37Å; L280-W304 HydrophobicContact CB-CH2 3.71Å; L280-W304 HydrophobicContact CB-CZ2 4.29Å; L280-W304 HydrophobicContact CB-CZ3 3.9Å; L280-W304 HydrophobicContact CD1-CH2 4Å; L280-W304 HydrophobicContact CD1-CZ2 4.49Å; L280-W304 HydrophobicContact CG-CH2 4.48Å
281	T	95.4	Very high	94.8	Very high	47 Å²	47	24.9 Å²	24.9	29%	0.288	14%	0.135	S	C	.	.			trans	-104.1	-27.1	173.8	54.9	0	0	0	0	112.1	P303 N305	T281-P303 WeakPolarHBondContact CA-O 3.49Å; T281-P303 HydrophobicContact CG2-CG 4.14Å; T281-N305 PolarHBondContact O-N 2.89Å
282	F	93.1	Very high	94.7	Very high	47 Å²	47	31.6 Å²	31.6	21%	0.206	16%	0.164	C	C	.	.			trans	-151.4	169.3	-179.6	49.3	-109.1	0	0	0	110.2	T258 L381	T258-F282 HydrophobicContact CG2-CE2 4.46Å; F282-L381 HydrophobicContact CB-CD1 4.38Å; F282-L381 HydrophobicContact CB-CD2 3.98Å; F282-L381 HydrophobicContact CD1-CD1 4.21Å; F282-L381 HydrophobicContact CD1-CD2 3.81Å; F282-L381 HydrophobicContact CD2-CD2 2.97Å; F282-L381 HydrophobicContact CD2-CG 4.38Å; F282-L381 HydrophobicContact CE1-CD2 4Å; F282-L381 HydrophobicContact CE2-CD2 3.2Å; F282-L381 HydrophobicContact CG-CD1 4.16Å; F282-L381 HydrophobicContact CG-CD2 3.3Å; F282-L381 HydrophobicContact CG-CG 4.4Å; F282-L381 HydrophobicContact CZ-CD2 3.71Å
283	L	95.1	Very high	94.6	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.186	C	C	.	.			trans	-126.7	142.5	167.1	-68	178.1	0	0	0	108.7	I259 L280 L287 F288 L299 W304 W312 L313	I259-L283 HydrophobicContact CD1-CD2 3.69Å; L280-L283 HydrophobicContact CD1-CD2 4.38Å; L283-L287 HydrophobicContact CB-CD2 4.3Å; L283-L287 HydrophobicContact CD2-CD2 4.03Å; L283-F288 HydrophobicContact CD1-CE1 4.43Å; L283-F288 HydrophobicContact CD1-CE2 3.92Å; L283-F288 HydrophobicContact CD1-CZ 3.55Å; L283-L299 HydrophobicContact CD1-CD2 4.36Å; L283-W304 HydrophobicContact CD1-CH2 4.03Å; L283-W304 HydrophobicContact CD1-CZ3 4.44Å; L283-W304 HydrophobicContact CD2-CH2 4.14Å; L283-W304 HydrophobicContact CD2-CZ3 4.42Å; L283-W304 HydrophobicContact CG-CH2 3.77Å; L283-W304 HydrophobicContact CG-CZ3 3.83Å; L283-W312 HydrophobicContact CB-CH2 4.41Å; L283-W312 HydrophobicContact CB-CZ2 3.68Å; L283-W312 PolarHBondContact O-NE1 3.12Å; L283-L313 HydrophobicContact CD1-CD1 4.43Å; L283-L313 HydrophobicContact CD1-CD2 4.15Å
284	P	94.7	Very high	94.5	Very high	3 Å²	3	38 Å²	38	2%	0.019	19%	0.188	C	C	.	.			trans	-52.3	145.5	172.3	-26.4	32.3	0	0	0	113	I259 R261 L287 W312	I259-P284 WeakPolarHBondContact O-CD 3.35Å; I259-P284 WeakPolarHBondContact O-CG 3.5Å; R261-P284 HydrophobicContact CG-CB 4.3Å; P284-L287 WeakPolarHBondContact O-CB 3.44Å; P284-L287 PolarHBondContact O-N 2.93Å; P284-W312 WeakPolarHBondContact O-CZ2 3.32Å
285	H	93.9	Very high	94.1	Very high	26 Å²	26	42.7 Å²	42.7	12%	0.12	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	137	177.1	-168.1	-92.6	0	0	0	111.8	L287 W312 L381 N430 T431	H285-L287 PolarHBondContact O-N 3.17Å; H285-L287 VanDerWaalsContact O-N 3.14Å; H285-W312 AromaticContact CD2-CD1 3.89Å; H285-L381 WeakPolarHBondContact CB-O 3.28Å; H285-L381 PolarHBondContact N-O 3.38Å; H285-N430 VanDerWaalsContact NE2-C 3.25Å; H285-T431 PolarHBondContact NE2-N 3.04Å
286	D	91.1	Very high	93.8	Very high	58 Å²	58	47.6 Å²	47.6	31%	0.31	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	21.8	178.6	-65.6	-32.6	0	0	0	115.8	F288 T289 P290	D286-F288 PolarHBondContact O-N 3.18Å; D286-T289 WeakPolarHBondContact CA-OG1 3.37Å; D286-T289 WeakPolarHBondContact CB-OG1 3.34Å; D286-T289 WeakPolarHBondContact O-CB 3.49Å; D286-T289 PolarHBondContact O-N 3.39Å; D286-T289 PolarHBondContact O-OG1 3.4Å; D286-T289 PolarHBondContact OD1-OG1 3.43Å; D286-P290 WeakPolarHBondContact O-CD 3.37Å
287	L	94.8	Very high	93.6	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.3	-178.2	-179.4	66.8	0	0	0	113.5	I259 F264 L283 P284 H285 W312	I259-L287 HydrophobicContact CG2-CD1 4.34Å; I259-L287 HydrophobicContact CG2-CD2 3.95Å; F264-L287 HydrophobicContact CD2-CD1 3.8Å; F264-L287 HydrophobicContact CD2-CD2 3.81Å; F264-L287 HydrophobicContact CD2-CG 3.76Å; F264-L287 HydrophobicContact CE2-CD1 4.41Å; F264-L287 HydrophobicContact CE2-CD2 3.75Å; F264-L287 HydrophobicContact CE2-CG 4.24Å; F264-L287 HydrophobicContact CG-CD1 4.42Å; L283-L287 HydrophobicContact CB-CD2 4.3Å; L283-L287 HydrophobicContact CD2-CD2 4.03Å; P284-L287 WeakPolarHBondContact O-CB 3.44Å; P284-L287 PolarHBondContact O-N 2.93Å; H285-L287 PolarHBondContact O-N 3.17Å; H285-L287 VanDerWaalsContact O-N 3.14Å; L287-W312 HydrophobicContact CB-CH2 3.95Å; L287-W312 HydrophobicContact CB-CZ2 4.26Å
288	F	93.9	Very high	93.4	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-8.2	-179.8	-56	-30.4	0	0	0	114	F264 L273 L283 D286 L291 L294 V297 L299 W312 L313 W316	F264-F288 HydrophobicContact CD2-CE1 4.39Å; F264-F288 HydrophobicContact CE2-CE1 4.49Å; L273-F288 HydrophobicContact CD2-CE1 3.75Å; L273-F288 HydrophobicContact CD2-CZ 4.27Å; L283-F288 HydrophobicContact CD1-CE1 4.43Å; L283-F288 HydrophobicContact CD1-CE2 3.92Å; L283-F288 HydrophobicContact CD1-CZ 3.55Å; D286-F288 PolarHBondContact O-N 3.18Å; F288-L291 HydrophobicContact CD1-CD1 4.11Å; F288-L291 WeakPolarHBondContact O-CB 3.31Å; F288-L291 PolarHBondContact O-N 3.08Å; F288-L294 HydrophobicContact CB-CD2 4.2Å; F288-L294 HydrophobicContact CD1-CD2 4.1Å; F288-L294 HydrophobicContact CG-CD2 4.07Å; F288-V297 HydrophobicContact CE2-CG1 4.45Å; F288-V297 HydrophobicContact CZ-CG1 4.29Å; F288-L299 HydrophobicContact CE2-CD1 4.48Å; F288-W312 HydrophobicContact CB-CZ3 4.27Å; F288-W312 AromaticContact CD2-CH2 3.82Å; F288-W312 HydrophobicContact CD2-CH2 3.82Å; F288-W312 AromaticContact CD2-CZ3 3.88Å; F288-W312 HydrophobicContact CD2-CZ3 3.88Å; F288-W312 HydrophobicContact CE2-CH2 4.14Å; F288-W312 HydrophobicContact CG-CH2 4.15Å; F288-W312 HydrophobicContact CG-CZ3 4.22Å; F288-L313 HydrophobicContact CD2-CD1 4.07Å; F288-L313 HydrophobicContact CE2-CD1 3.64Å; F288-W316 HydrophobicContact CB-CD2 4.31Å; F288-W316 HydrophobicContact CB-CZ2 4.18Å; F288-W316 AromaticContact CD2-CD2 3.86Å; F288-W316 HydrophobicContact CD2-CD2 3.86Å; F288-W316 AromaticContact CD2-CE3 3.85Å; F288-W316 HydrophobicContact CD2-CE3 3.85Å; F288-W316 HydrophobicContact CD2-CH2 4.32Å; F288-W316 HydrophobicContact CD2-CZ2 4.28Å; F288-W316 HydrophobicContact CD2-CZ3 4.08Å; F288-W316 HydrophobicContact CE2-CE3 4.38Å; F288-W316 HydrophobicContact CE2-CZ3 4.41Å
289	T	90.4	Very high	93.2	Very high	72 Å²	72	47.2 Å²	47.2	44%	0.442	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38.8	-175.5	-57.1	0	0	0	0	113.4	D286 L291 H292	D286-T289 WeakPolarHBondContact CA-OG1 3.37Å; D286-T289 WeakPolarHBondContact CB-OG1 3.34Å; D286-T289 WeakPolarHBondContact O-CB 3.49Å; D286-T289 PolarHBondContact O-N 3.39Å; D286-T289 PolarHBondContact O-OG1 3.4Å; D286-T289 PolarHBondContact OD1-OG1 3.43Å; T289-L291 PolarHBondContact O-N 2.98Å; T289-H292 PolarHBondContact O-CE1 2.77Å
290	P	91.9	Very high	93	Very high	39 Å²	39	45.1 Å²	45.1	25%	0.253	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.6	174.6	-20.1	34.1	0	0	0	114.5	D286 H292	D286-P290 WeakPolarHBondContact O-CD 3.37Å; P290-H292 PolarHBondContact O-N 2.86Å; P290-H292 VanDerWaalsContact O-N 3.12Å
291	L	93.8	Very high	93	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	24%	0.242	C	C	.	.			trans	-90.9	68.5	-170.4	-55.6	178.3	0	0	0	111.3	F264 L267 L270 F288 T289 R293 L294	F264-L291 HydrophobicContact CB-CD1 4.06Å; F264-L291 WeakPolarHBondContact O-CD2 3.22Å; L267-L291 HydrophobicContact CB-CD2 4.11Å; L267-L291 VanDerWaalsContact O-CD2 3.24Å; L267-L291 WeakPolarHBondContact O-CD2 3.34Å; L270-L291 HydrophobicContact CD2-CD1 4.29Å; F288-L291 HydrophobicContact CD1-CD1 4.11Å; F288-L291 WeakPolarHBondContact O-CB 3.31Å; F288-L291 PolarHBondContact O-N 3.08Å; T289-L291 PolarHBondContact O-N 2.98Å; L291-R293 PolarHBondContact O-N 3.34Å; L291-L294 HydrophobicContact CB-CB 3.88Å; L291-L294 HydrophobicContact CB-CD2 4.22Å; L291-L294 HydrophobicContact CD1-CD2 3.88Å; L291-L294 VanDerWaalsContact O-CB 3.27Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 3.14Å
292	H	92.4	Very high	93.1	Very high	172 Å²	172	49.6 Å²	49.6	80%	0.796	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.2	-172	-55.3	-50.8	0	0	0	115.7	T289 P290	T289-H292 PolarHBondContact O-CE1 2.77Å; P290-H292 PolarHBondContact O-N 2.86Å; P290-H292 VanDerWaalsContact O-N 3.12Å
293	R	94.3	Very high	93.3	Very high	147 Å²	147	48.7 Å²	48.7	56%	0.555	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	1.9	177.8	-63.7	-167.3	179	122.2	-0.2	113.6	S269 L270 V271 L291 E295	S269-R293 PolarHBondContact OG-NH1 2.7Å; S269-R293 VanDerWaalsContact OG-NH1 3.08Å; L270-R293 CarbonylContact O-C 3.56Å; V271-R293 WeakPolarHBondContact CA-O 3.26Å; V271-R293 HydrophobicContact CG2-CB 4.46Å; L291-R293 PolarHBondContact O-N 3.34Å; R293-E295 PolarHBondContact O-N 3.36Å
294	L	92.6	Very high	93.3	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	23%	0.23	C	C	.	.			trans	-74.6	113.6	-173.7	-170.4	65.5	0	0	0	110.3	L270 L273 F288 L291 V297 W316 T320	L270-L294 HydrophobicContact CD2-CD1 4.14Å; L270-L294 HydrophobicContact CG-CD1 4.18Å; L270-L294 VanDerWaalsContact O-CA 3.26Å; L270-L294 WeakPolarHBondContact O-CA 3.43Å; L270-L294 PolarHBondContact O-N 2.8Å; L270-L294 VanDerWaalsContact O-N 3.13Å; L273-L294 HydrophobicContact CB-CD1 4.04Å; F288-L294 HydrophobicContact CB-CD2 4.2Å; F288-L294 HydrophobicContact CD1-CD2 4.1Å; F288-L294 HydrophobicContact CG-CD2 4.07Å; L291-L294 HydrophobicContact CB-CB 3.88Å; L291-L294 HydrophobicContact CB-CD2 4.22Å; L291-L294 HydrophobicContact CD1-CD2 3.88Å; L291-L294 VanDerWaalsContact O-CB 3.27Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 3.14Å; L294-V297 HydrophobicContact CD1-CG2 4.07Å; L294-V297 HydrophobicContact CD2-CG2 3.6Å; L294-V297 HydrophobicContact CG-CG2 3.74Å; L294-W316 HydrophobicContact CB-CZ2 4.39Å; L294-W316 HydrophobicContact CD2-CH2 3.96Å; L294-W316 HydrophobicContact CD2-CZ2 3.78Å; L294-W316 HydrophobicContact CG-CH2 4.24Å; L294-W316 HydrophobicContact CG-CZ2 4.15Å; L294-T320 WeakPolarHBondContact O-CG2 3.47Å
295	E	88.4	Confident	93.4	Very high	121 Å²	121	51.2 Å²	51.2	57%	0.565	24%	0.243	S	C	*	.			trans	-111.4	-31.6	-177	-68.4	175.8	-175	0	0	112.1	V271 R293	V271-E295 HydrophobicContact CG1-CB 4.33Å; V271-E295 HydrophobicContact CG1-CG 4.49Å; V271-E295 PolarHBondContact O-N 3.5Å; R293-E295 PolarHBondContact O-N 3.36Å
296	R	89.3	Confident	93.4	Very high	103 Å²	103	50 Å²	50	39%	0.389	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.5	-170.5	-68.5	-177	-72.7	131.2	11.4	110.6	V271 E272 L273	V271-R296 PolarHBondContact O-N 3.04Å; E272-R296 CarbonylContact C-O 3.47Å; E272-R296 VanDerWaalsContact CA-O 3.27Å; E272-R296 WeakPolarHBondContact CA-O 3.44Å; E272-R296 HydrophobicContact CB-CB 4.39Å; E272-R296 HydrophobicContact CG-CB 4.06Å; E272-R296 IonicContact OE2-CZ 3.83Å; E272-R296 IonicContact OE2-NH1 3.52Å; E272-R296 PolarHBondContact OE2-NH1 3.16Å; E272-R296 IonicContact OE2-NH2 3.5Å; E272-R296 PolarHBondContact OE2-NH2 3.03Å; L273-R296 PolarHBondContact N-O 2.82Å
297	V	91.9	Very high	93.5	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.3	176.1	-169.1	0	0	0	0	109.7	L273 F288 L294 L299 W316 C327	L273-V297 HydrophobicContact CB-CG1 4.43Å; L273-V297 CarbonylContact O-C 3.11Å; L273-V297 VanDerWaalsContact O-CA 3.27Å; L273-V297 WeakPolarHBondContact O-CA 3.32Å; F288-V297 HydrophobicContact CE2-CG1 4.45Å; F288-V297 HydrophobicContact CZ-CG1 4.29Å; L294-V297 HydrophobicContact CD1-CG2 4.07Å; L294-V297 HydrophobicContact CD2-CG2 3.6Å; L294-V297 HydrophobicContact CG-CG2 3.74Å; V297-L299 HydrophobicContact CG1-CD1 4.11Å; V297-L299 HydrophobicContact CG1-CD2 3.72Å; V297-L299 HydrophobicContact CG1-CG 3.63Å; V297-W316 HydrophobicContact CB-CH2 4.36Å; V297-W316 HydrophobicContact CB-CZ3 4.31Å; V297-W316 HydrophobicContact CG2-CH2 3.4Å; V297-W316 HydrophobicContact CG2-CZ2 4.44Å; V297-W316 HydrophobicContact CG2-CZ3 3.79Å; V297-C327 PolarHBondContact O-SG 2.98Å
298	H	93.3	Very high	93.3	Very high	50 Å²	50	50.8 Å²	50.8	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.9	174.6	-54.9	-97.5	0	0	0	109.7	L273 N274 L275 A276	L273-H298 PolarHBondContact O-N 3.24Å; N274-H298 HydrophobicContact CB-CB 4.17Å; N274-H298 WeakPolarHBondContact OD1-CB 3.39Å; L275-H298 CarbonylContact C-O 3.49Å; L275-H298 WeakPolarHBondContact CA-O 3.45Å; L275-H298 PolarHBondContact N-O 3.22Å; A276-H298 HydrophobicContact CB-CB 4.19Å; A276-H298 PolarHBondContact N-O 3.35Å; A276-H298 VanDerWaalsContact N-O 3.11Å
299	L	94	Very high	93.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.			trans	-116.1	2.4	-177.1	-64.3	179.2	0	0	0	113.3	L275 L283 F288 V297 N302 W304 L313 A329	L275-L299 HydrophobicContact CB-CD2 4.1Å; L275-L299 HydrophobicContact CD1-CD2 4.04Å; L283-L299 HydrophobicContact CD1-CD2 4.36Å; F288-L299 HydrophobicContact CE2-CD1 4.48Å; V297-L299 HydrophobicContact CG1-CD1 4.11Å; V297-L299 HydrophobicContact CG1-CD2 3.72Å; V297-L299 HydrophobicContact CG1-CG 3.63Å; L299-N302 PolarHBondContact O-ND2 3.19Å; L299-N302 VanDerWaalsContact O-ND2 3.1Å; L299-W304 HydrophobicContact CB-CZ2 3.82Å; L299-W304 HydrophobicContact CD1-CZ2 4.46Å; L299-W304 HydrophobicContact CD2-CH2 4.31Å; L299-W304 HydrophobicContact CD2-CZ2 3.97Å; L299-W304 HydrophobicContact CG-CZ2 4.28Å; L299-W304 PolarHBondContact O-NE1 3.11Å; L299-L313 HydrophobicContact CD1-CD1 3.93Å; L299-L313 HydrophobicContact CD1-CD2 4.02Å; L299-L313 HydrophobicContact CD1-CG 4.47Å; L299-A329 HydrophobicContact CB-CB 3.79Å
300	H	92.9	Very high	93.4	Very high	39 Å²	39	49 Å²	49	18%	0.181	23%	0.231	C	C	.	.			trans	-66.2	158.8	-176.3	63.5	69.2	0	0	0	112.6	A276 H277 N302	A276-H300 VanDerWaalsContact CA-O 3.29Å; A276-H300 WeakPolarHBondContact CA-O 3.35Å; A276-H300 WeakPolarHBondContact CB-CE1 3.47Å; A276-H300 WeakPolarHBondContact CB-ND1 3.23Å; H277-H300 AromaticContact CD2-CE1 3.59Å; H277-H300 AromaticContact CD2-ND1 3.71Å; H277-H300 PolarHBondContact N-O 3.07Å; H277-H300 AromaticContact NE2-CE1 3.35Å; H277-H300 PolarHBondContact NE2-CE1 3.24Å; H277-H300 VanDerWaalsContact NE2-CE1 3.35Å; H277-H300 AromaticContact NE2-ND1 3.49Å; H277-H300 PolarHBondContact NE2-ND1 3.41Å; H300-N302 VanDerWaalsContact C-N 3.35Å; H300-N302 PolarHBondContact O-ND2 2.87Å
301	H	95.7	Very high	93.4	Very high	130 Å²	130	47.1 Å²	47.1	60%	0.602	22%	0.219	S	C	*	.	S	Bend	trans	58.7	43.7	-179.8	-62.5	81	0	0	0	113.3	H277	H277-H301 VanDerWaalsContact CA-O 3.24Å; H277-H301 WeakPolarHBondContact CA-O 3.24Å; H277-H301 HydrophobicContact CB-CB 4.31Å; H277-H301 AromaticContact CE1-CD2 3.37Å; H277-H301 PolarHBondContact CE1-CD2 3.08Å; H277-H301 AromaticContact CE1-CE1 3.74Å; H277-H301 AromaticContact CE1-CG 3.22Å; H277-H301 AromaticContact CE1-ND1 3.48Å; H277-H301 PolarHBondContact CE1-ND1 3.34Å; H277-H301 AromaticContact CE1-NE2 3.71Å; H277-H301 PolarHBondContact N-O 3.08Å; H277-H301 WeakPolarHBondContact ND1-CB 3.38Å; H277-H301 AromaticContact ND1-CD2 3.76Å; H277-H301 AromaticContact ND1-CG 3.55Å; H277-H301 AromaticContact NE2-CE1 3.93Å; H277-H301 AromaticContact NE2-CG 3.61Å; H277-H301 AromaticContact NE2-ND1 3.48Å; H277-H301 PolarHBondContact NE2-ND1 2.92Å
302	N	97	Very high	93.4	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.053	22%	0.22	C	C	.	.	S	Bend	trans	-122.5	145	167.5	-78.3	-75.7	0	0	0	108.6	L275 N278 L280 L299 H300 W304	L275-N302 PolarHBondContact O-ND2 3.41Å; N278-N302 WeakPolarHBondContact CA-OD1 3.4Å; N278-N302 WeakPolarHBondContact CB-OD1 3.36Å; N278-N302 PolarHBondContact N-OD1 3.2Å; N278-N302 PolarHBondContact O-OD1 3.23Å; L280-N302 HydrophobicContact CB-CB 4.18Å; L280-N302 WeakPolarHBondContact CB-OD1 3.34Å; L280-N302 PolarHBondContact N-OD1 3.1Å; L280-N302 VanDerWaalsContact N-OD1 3.14Å; L299-N302 PolarHBondContact O-ND2 3.19Å; L299-N302 VanDerWaalsContact O-ND2 3.1Å; H300-N302 VanDerWaalsContact C-N 3.35Å; H300-N302 PolarHBondContact O-ND2 2.87Å; N302-W304 HydrophobicContact CB-CD2 4.14Å; N302-W304 HydrophobicContact CB-CG 4.39Å; N302-W304 HydrophobicContact CB-CZ2 3.76Å; N302-W304 PolarHBondContact O-N 3.39Å
303	P	96.9	Very high	93.4	Very high	29 Å²	29	39.1 Å²	39.1	19%	0.188	18%	0.182	C	C	.	.			trans	-77.2	61.6	179.5	33.7	-37.7	0	0	0	112.6	L280 T281 N305 H332	L280-P303 CarbonylContact O-C 3.06Å; L280-P303 WeakPolarHBondContact O-CD 3.37Å; T281-P303 WeakPolarHBondContact CA-O 3.49Å; T281-P303 HydrophobicContact CG2-CG 4.14Å; P303-N305 PolarHBondContact O-N 2.7Å; P303-H332 HydrophobicContact CB-CB 4.17Å
304	W	96.6	Very high	93.3	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	129.4	-176.2	-63.2	112.8	0	0	0	113.1	L280 L283 L299 N302 I310 H332 S333 I342	L280-W304 HydrophobicContact CB-CH2 3.71Å; L280-W304 HydrophobicContact CB-CZ2 4.29Å; L280-W304 HydrophobicContact CB-CZ3 3.9Å; L280-W304 HydrophobicContact CD1-CH2 4Å; L280-W304 HydrophobicContact CD1-CZ2 4.49Å; L280-W304 HydrophobicContact CG-CH2 4.48Å; L283-W304 HydrophobicContact CD1-CH2 4.03Å; L283-W304 HydrophobicContact CD1-CZ3 4.44Å; L283-W304 HydrophobicContact CD2-CH2 4.14Å; L283-W304 HydrophobicContact CD2-CZ3 4.42Å; L283-W304 HydrophobicContact CG-CH2 3.77Å; L283-W304 HydrophobicContact CG-CZ3 3.83Å; L299-W304 HydrophobicContact CB-CZ2 3.82Å; L299-W304 HydrophobicContact CD1-CZ2 4.46Å; L299-W304 HydrophobicContact CD2-CH2 4.31Å; L299-W304 HydrophobicContact CD2-CZ2 3.97Å; L299-W304 HydrophobicContact CG-CZ2 4.28Å; L299-W304 PolarHBondContact O-NE1 3.11Å; N302-W304 HydrophobicContact CB-CD2 4.14Å; N302-W304 HydrophobicContact CB-CG 4.39Å; N302-W304 HydrophobicContact CB-CZ2 3.76Å; N302-W304 PolarHBondContact O-N 3.39Å; W304-I310 HydrophobicContact CE3-CD1 4.08Å; W304-H332 PolarHBondContact O-N 2.7Å; W304-S333 PolarHBondContact O-N 2.04Å; W304-S333 VanDerWaalsContact O-N 3.16Å; W304-I342 HydrophobicContact CB-CD1 3.81Å; W304-I342 HydrophobicContact CD2-CD1 3.99Å; W304-I342 HydrophobicContact CG-CD1 3.52Å
305	N	95.9	Very high	93.2	Very high	56 Å²	56	36.8 Å²	36.8	30%	0.299	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	104.4	171.8	-172.1	26.6	0	0	0	109.8	T281 P303 N307 S333	T281-N305 PolarHBondContact O-N 2.89Å; P303-N305 PolarHBondContact O-N 2.7Å; N305-N307 PolarHBondContact O-N 3.46Å; N305-N307 VanDerWaalsContact O-N 3.16Å; N305-S333 CarbonylContact C-O 3.59Å; N305-S333 WeakPolarHBondContact CA-O 3.24Å; N305-S333 WeakPolarHBondContact CA-OG 3.05Å; N305-S333 WeakPolarHBondContact CB-OG 3.21Å; N305-S333 VanDerWaalsContact CG-OG 3.27Å; N305-S333 PolarHBondContact OD1-OG 3.38Å
306	C	94.8	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.151	C	C	.	.			trans	-87.6	84.7	-175.2	-66.5	0	0	0	0	111.3	I310 C331 S333 P334 F337 L345 F350	C306-I310 HydrophobicContact CB-CG2 4.13Å; C306-C331 HydrophobicContact CB-CB 3.78Å; C306-C331 WeakPolarHBondContact CB-SG 3.37Å; C306-C331 WeakPolarHBondContact SG-CA 2.97Å; C306-C331 WeakPolarHBondContact SG-CB 3.02Å; C306-C331 CovalentContact SG-SG 2.02Å; C306-C331 PolarHBondContact SG-SG 3.08Å; C306-S333 PolarHBondContact N-O 2.87Å; C306-P334 WeakPolarHBondContact O-CD 3.3Å; C306-F337 HydrophobicContact CB-CB 4.41Å; C306-L345 HydrophobicContact CB-CD1 3.93Å; C306-F350 WeakPolarHBondContact O-CE1 3.49Å
307	N	92.4	Very high	93.4	Very high	52 Å²	52	28.4 Å²	28.4	28%	0.278	14%	0.137	S	C	.	.	S	Bend	trans	-116.6	-163.8	170.2	68.9	-7.9	0	0	0	109.9	N305 D309 I310	N305-N307 PolarHBondContact O-N 3.46Å; N305-N307 VanDerWaalsContact O-N 3.16Å; N307-D309 PolarHBondContact ND2-OD2 3.16Å; N307-D309 PolarHBondContact O-N 3.39Å; N307-D309 WeakPolarHBondContact OD1-CB 3.46Å; N307-D309 PolarHBondContact OD1-N 3.32Å; N307-D309 PolarHBondContact OD1-OD2 3.48Å; N307-I310 WeakPolarHBondContact O-CG2 3.27Å; N307-I310 PolarHBondContact O-N 3.21Å
308	C	91.8	Very high	93.2	Very high	26 Å²	26	35.8 Å²	35.8	18%	0.176	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-56.7	-28.5	177.1	-72.4	0	0	0	0	114.9	I310 L311 C352 T431	C308-I310 VanDerWaalsContact C-N 3.26Å; C308-I310 PolarHBondContact O-N 2.98Å; C308-L311 PolarHBondContact O-N 3.38Å; C308-C352 HydrophobicContact CB-CB 3.77Å; C308-C352 WeakPolarHBondContact CB-SG 3.36Å; C308-C352 WeakPolarHBondContact SG-CA 3.32Å; C308-C352 WeakPolarHBondContact SG-CB 3.46Å; C308-C352 CovalentContact SG-SG 2.04Å; C308-C352 PolarHBondContact SG-SG 3.34Å; C308-T431 PolarHBondContact O-OG1 2.97Å
309	D	92.1	Very high	92.9	Very high	33 Å²	33	41.6 Å²	41.6	18%	0.176	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-73.6	-17.6	-177.6	-54.5	-61	0	0	0	112.5	N307 W312 L381	N307-D309 PolarHBondContact ND2-OD2 3.16Å; N307-D309 PolarHBondContact O-N 3.39Å; N307-D309 WeakPolarHBondContact OD1-CB 3.46Å; N307-D309 PolarHBondContact OD1-N 3.32Å; N307-D309 PolarHBondContact OD1-OD2 3.48Å; D309-W312 PolarHBondContact O-NE1 3.39Å; D309-L381 HydrophobicContact CB-CB 4.42Å; D309-L381 HydrophobicContact CB-CD1 3.83Å; D309-L381 VanDerWaalsContact CG-CD1 3.43Å; D309-L381 WeakPolarHBondContact OD2-CD1 3.44Å
310	I	93	Very high	92.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-84.7	-13	177.3	-146.8	67.2	0	0	0	112.9	W304 C306 N307 C308 W312 L313 S314 I342 L345	W304-I310 HydrophobicContact CE3-CD1 4.08Å; C306-I310 HydrophobicContact CB-CG2 4.13Å; N307-I310 WeakPolarHBondContact O-CG2 3.27Å; N307-I310 PolarHBondContact O-N 3.21Å; C308-I310 VanDerWaalsContact C-N 3.26Å; C308-I310 PolarHBondContact O-N 2.98Å; I310-W312 PolarHBondContact O-N 3.48Å; I310-L313 HydrophobicContact CD1-CD2 3.79Å; I310-L313 HydrophobicContact CG1-CD2 4.33Å; I310-L313 WeakPolarHBondContact O-CB 3.45Å; I310-L313 PolarHBondContact O-N 3.36Å; I310-L313 VanDerWaalsContact O-N 3.08Å; I310-S314 PolarHBondContact O-N 2.9Å; I310-I342 HydrophobicContact CD1-CD1 4.32Å; I310-I342 HydrophobicContact CG1-CD1 4.14Å; I310-I342 HydrophobicContact CG1-CG2 3.84Å; I310-L345 HydrophobicContact CG2-CD1 3.71Å
311	L	92.5	Very high	91.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-169.4	-77.2	176.3	0	0	0	113.2	C308 L313 S314 W315 F350 T431	C308-L311 PolarHBondContact O-N 3.38Å; L311-L313 PolarHBondContact O-N 3.38Å; L311-S314 WeakPolarHBondContact O-CB 3.32Å; L311-S314 PolarHBondContact O-N 3.1Å; L311-S314 VanDerWaalsContact O-N 3.13Å; L311-W315 HydrophobicContact CB-CH2 4.35Å; L311-W315 HydrophobicContact CB-CZ2 4.24Å; L311-W315 PolarHBondContact O-N 3Å; L311-F350 HydrophobicContact CD1-CB 4.19Å; L311-F350 HydrophobicContact CD1-CD2 4.1Å; L311-F350 HydrophobicContact CD1-CG 4.26Å; L311-F350 HydrophobicContact CD2-CD2 3.62Å; L311-F350 HydrophobicContact CD2-CE2 3.69Å; L311-F350 HydrophobicContact CD2-CG 4.47Å; L311-F350 HydrophobicContact CG-CD2 4.14Å; L311-F350 HydrophobicContact CG-CE2 4.43Å; L311-T431 HydrophobicContact CB-CG2 3.93Å
312	W	93	Very high	90.2	Very high	11 Å²	11	41.1 Å²	41.1	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-39.6	175.6	75.2	-92.3	0	0	0	110.9	L283 P284 H285 L287 F288 D309 I310 W315 W316 T431	L283-W312 HydrophobicContact CB-CH2 4.41Å; L283-W312 HydrophobicContact CB-CZ2 3.68Å; L283-W312 PolarHBondContact O-NE1 3.12Å; P284-W312 WeakPolarHBondContact O-CZ2 3.32Å; H285-W312 AromaticContact CD2-CD1 3.89Å; L287-W312 HydrophobicContact CB-CH2 3.95Å; L287-W312 HydrophobicContact CB-CZ2 4.26Å; F288-W312 HydrophobicContact CB-CZ3 4.27Å; F288-W312 AromaticContact CD2-CH2 3.82Å; F288-W312 HydrophobicContact CD2-CH2 3.82Å; F288-W312 AromaticContact CD2-CZ3 3.88Å; F288-W312 HydrophobicContact CD2-CZ3 3.88Å; F288-W312 HydrophobicContact CE2-CH2 4.14Å; F288-W312 HydrophobicContact CG-CH2 4.15Å; F288-W312 HydrophobicContact CG-CZ3 4.22Å; D309-W312 PolarHBondContact O-NE1 3.39Å; I310-W312 PolarHBondContact O-N 3.48Å; W312-W315 PolarHBondContact O-N 3.25Å; W312-W316 HydrophobicContact CE3-CB 4.49Å; W312-W316 WeakPolarHBondContact O-CB 3.49Å; W312-W316 PolarHBondContact O-N 3.11Å; W312-T431 HydrophobicContact CB-CG2 3.69Å; W312-T431 HydrophobicContact CG-CG2 4.4Å
313	L	93.3	Very high	88.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.9	-37.5	178.6	178.7	65	0	0	0	111.4	L283 F288 L299 I310 L311 W316 L317 I342	L283-L313 HydrophobicContact CD1-CD1 4.43Å; L283-L313 HydrophobicContact CD1-CD2 4.15Å; F288-L313 HydrophobicContact CD2-CD1 4.07Å; F288-L313 HydrophobicContact CE2-CD1 3.64Å; L299-L313 HydrophobicContact CD1-CD1 3.93Å; L299-L313 HydrophobicContact CD1-CD2 4.02Å; L299-L313 HydrophobicContact CD1-CG 4.47Å; I310-L313 HydrophobicContact CD1-CD2 3.79Å; I310-L313 HydrophobicContact CG1-CD2 4.33Å; I310-L313 WeakPolarHBondContact O-CB 3.45Å; I310-L313 PolarHBondContact O-N 3.36Å; I310-L313 VanDerWaalsContact O-N 3.08Å; L311-L313 PolarHBondContact O-N 3.38Å; L313-W316 HydrophobicContact CD1-CE3 4.34Å; L313-W316 PolarHBondContact O-N 3.27Å; L313-L317 HydrophobicContact CD1-CD1 4.24Å; L313-L317 HydrophobicContact CD1-CG 4.12Å; L313-L317 HydrophobicContact CG-CD1 4Å; L313-L317 HydrophobicContact CG-CG 4.33Å; L313-L317 WeakPolarHBondContact O-CB 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.41Å; L313-I342 HydrophobicContact CD2-CG2 4.4Å; L313-I342 HydrophobicContact CG-CG2 4.37Å
314	S	92.2	Very high	86.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.6	-50.7	172.3	176.6	0	0	0	0	111.1	I310 L311 L317 K318 I342 L345	I310-S314 PolarHBondContact O-N 2.9Å; L311-S314 WeakPolarHBondContact O-CB 3.32Å; L311-S314 PolarHBondContact O-N 3.1Å; L311-S314 VanDerWaalsContact O-N 3.13Å; S314-L317 PolarHBondContact O-N 3.06Å; S314-K318 WeakPolarHBondContact O-CB 3.41Å; S314-K318 PolarHBondContact O-N 2.78Å; S314-I342 VanDerWaalsContact CB-O 3.22Å; S314-I342 WeakPolarHBondContact CB-O 3.32Å; S314-I342 PolarHBondContact OG-O 3.04Å; S314-L345 PolarHBondContact OG-O 3.23Å
315	W	90.6	Very high	84.8	Confident	104 Å²	104	55.2 Å²	55.2	39%	0.394	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-46.2	179.1	-59.3	-31.6	0	0	0	111.9	L311 W312 L317 K318 E319 H347 T431	L311-W315 HydrophobicContact CB-CH2 4.35Å; L311-W315 HydrophobicContact CB-CZ2 4.24Å; L311-W315 PolarHBondContact O-N 3Å; W312-W315 PolarHBondContact O-N 3.25Å; W315-L317 VanDerWaalsContact C-N 3.34Å; W315-L317 PolarHBondContact O-N 3.49Å; W315-K318 WeakPolarHBondContact O-CB 3.29Å; W315-K318 PolarHBondContact O-N 3.41Å; W315-K318 VanDerWaalsContact O-N 3.16Å; W315-E319 PolarHBondContact O-N 3.02Å; W315-H347 HydrophobicContact CZ2-CB 4.12Å; W315-T431 HydrophobicContact CZ3-CG2 4.32Å
316	W	91.1	Very high	82.7	Confident	32 Å²	32	56.9 Å²	56.9	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-45.9	176.8	-174.2	88.1	0	0	0	111.8	F288 L294 V297 W312 L313 K318 E319 T320 V321	F288-W316 HydrophobicContact CB-CD2 4.31Å; F288-W316 HydrophobicContact CB-CZ2 4.18Å; F288-W316 AromaticContact CD2-CD2 3.86Å; F288-W316 HydrophobicContact CD2-CD2 3.86Å; F288-W316 AromaticContact CD2-CE3 3.85Å; F288-W316 HydrophobicContact CD2-CE3 3.85Å; F288-W316 HydrophobicContact CD2-CH2 4.32Å; F288-W316 HydrophobicContact CD2-CZ2 4.28Å; F288-W316 HydrophobicContact CD2-CZ3 4.08Å; F288-W316 HydrophobicContact CE2-CE3 4.38Å; F288-W316 HydrophobicContact CE2-CZ3 4.41Å; L294-W316 HydrophobicContact CB-CZ2 4.39Å; L294-W316 HydrophobicContact CD2-CH2 3.96Å; L294-W316 HydrophobicContact CD2-CZ2 3.78Å; L294-W316 HydrophobicContact CG-CH2 4.24Å; L294-W316 HydrophobicContact CG-CZ2 4.15Å; V297-W316 HydrophobicContact CB-CH2 4.36Å; V297-W316 HydrophobicContact CB-CZ3 4.31Å; V297-W316 HydrophobicContact CG2-CH2 3.4Å; V297-W316 HydrophobicContact CG2-CZ2 4.44Å; V297-W316 HydrophobicContact CG2-CZ3 3.79Å; W312-W316 HydrophobicContact CE3-CB 4.49Å; W312-W316 WeakPolarHBondContact O-CB 3.49Å; W312-W316 PolarHBondContact O-N 3.11Å; L313-W316 HydrophobicContact CD1-CE3 4.34Å; L313-W316 PolarHBondContact O-N 3.27Å; W316-K318 VanDerWaalsContact C-N 3.33Å; W316-K318 PolarHBondContact O-N 2.93Å; W316-E319 PolarHBondContact O-N 3.44Å; W316-T320 HydrophobicContact CH2-CG2 4.08Å; W316-T320 HydrophobicContact CZ2-CG2 3.72Å; W316-T320 WeakPolarHBondContact O-CB 3.24Å; W316-T320 PolarHBondContact O-N 3.3Å; W316-T320 PolarHBondContact O-OG1 3.35Å; W316-V321 HydrophobicContact CZ3-CG2 4.11Å
317	L	90	Very high	81.1	Confident	15 Å²	15	58 Å²	58	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-39.1	177.3	-74	170.4	0	0	0	112.2	L313 S314 W315 E319 V321 I342	L313-L317 HydrophobicContact CD1-CD1 4.24Å; L313-L317 HydrophobicContact CD1-CG 4.12Å; L313-L317 HydrophobicContact CG-CD1 4Å; L313-L317 HydrophobicContact CG-CG 4.33Å; L313-L317 WeakPolarHBondContact O-CB 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.41Å; S314-L317 PolarHBondContact O-N 3.06Å; W315-L317 VanDerWaalsContact C-N 3.34Å; W315-L317 PolarHBondContact O-N 3.49Å; L317-E319 VanDerWaalsContact C-N 3.35Å; L317-V321 HydrophobicContact CD2-CG2 3.82Å; L317-V321 WeakPolarHBondContact O-CB 3.34Å; L317-V321 PolarHBondContact O-N 3.35Å; L317-V321 VanDerWaalsContact O-N 3.16Å; L317-I342 HydrophobicContact CD1-CB 4.14Å; L317-I342 HydrophobicContact CD1-CG2 3.97Å
318	K	87.2	Confident	80.1	Confident	161 Å²	161	57.8 Å²	57.8	70%	0.7	32%	0.323	S	S	*	.	H	α-helix	trans	-67.3	-35	179.2	-176.6	179.3	178.1	-178	0	112.6	S314 W315 W316	S314-K318 WeakPolarHBondContact O-CB 3.41Å; S314-K318 PolarHBondContact O-N 2.78Å; W315-K318 WeakPolarHBondContact O-CB 3.29Å; W315-K318 PolarHBondContact O-N 3.41Å; W315-K318 VanDerWaalsContact O-N 3.16Å; W316-K318 VanDerWaalsContact C-N 3.33Å; W316-K318 PolarHBondContact O-N 2.93Å
319	E	86.9	Confident	80	Confident	173 Å²	173	56.7 Å²	56.7	81%	0.808	32%	0.316	S	S	*	.	H	α-helix	trans	-85.1	-44.3	-177.8	-174.1	172.8	-177.5	0	0	112.5	W315 W316 L317	W315-E319 PolarHBondContact O-N 3.02Å; W316-E319 PolarHBondContact O-N 3.44Å; L317-E319 VanDerWaalsContact C-N 3.35Å
320	T	82.8	Confident	80	Confident	51 Å²	51	60.8 Å²	60.8	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-92.3	-32.8	-169.8	-49.1	0	0	0	0	113.6	L294 W316	L294-T320 WeakPolarHBondContact O-CG2 3.47Å; W316-T320 HydrophobicContact CH2-CG2 4.08Å; W316-T320 HydrophobicContact CZ2-CG2 3.72Å; W316-T320 WeakPolarHBondContact O-CB 3.24Å; W316-T320 PolarHBondContact O-N 3.3Å; W316-T320 PolarHBondContact O-OG1 3.35Å
321	V	74.9	Confident	80.1	Confident	24 Å²	24	60.9 Å²	60.9	15%	0.145	33%	0.329	C	S	.	.	S	Bend	trans	-95.5	122.6	-173.2	-176.1	0	0	0	0	110.8	W316 L317 C327	W316-V321 HydrophobicContact CZ3-CG2 4.11Å; L317-V321 HydrophobicContact CD2-CG2 3.82Å; L317-V321 WeakPolarHBondContact O-CB 3.34Å; L317-V321 PolarHBondContact O-N 3.35Å; L317-V321 VanDerWaalsContact O-N 3.16Å; V321-C327 HydrophobicContact CG1-CB 4.28Å
322	P	69	Low	80.3	Confident	84 Å²	84	65.4 Å²	65.4	55%	0.545	35%	0.351	S	S	.	.			trans	-57.8	142.3	176.4	-21.8	29.8	0	0	0	111.9	N324 T325	P322-N324 PolarHBondContact O-N 2.92Å; P322-T325 WeakPolarHBondContact CB-OG1 3.33Å; P322-T325 WeakPolarHBondContact CD-OG1 3.27Å; P322-T325 WeakPolarHBondContact O-CB 3.39Å; P322-T325 PolarHBondContact O-N 2.99Å; P322-T325 PolarHBondContact O-OG1 3.13Å
323	A	60.4	Low	80.5	Confident	108 Å²	108	66.6 Å²	66.6	89%	0.893	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19.6	-178.4	0	0	0	0	0	114.7
324	N	56.1	Low	80.6	Confident	163 Å²	163	68.9 Å²	68.9	87%	0.872	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	1	-178.4	-63.5	-3.4	0	0	0	113.6	P322	P322-N324 PolarHBondContact O-N 2.92Å
325	T	61.3	Low	80.6	Confident	65 Å²	65	74 Å²	74	40%	0.399	41%	0.411	S	S	.	.	S	Bend	trans	-93.9	126.9	-175.2	-19.9	0	0	0	0	109.9	P322 C327	P322-T325 WeakPolarHBondContact CB-OG1 3.33Å; P322-T325 WeakPolarHBondContact CD-OG1 3.27Å; P322-T325 WeakPolarHBondContact O-CB 3.39Å; P322-T325 PolarHBondContact O-N 2.99Å; P322-T325 PolarHBondContact O-OG1 3.13Å; T325-C327 PolarHBondContact O-N 3.03Å
326	S	52	Low	80.7	Confident	90 Å²	90	73.9 Å²	73.9	63%	0.629	42%	0.422	S	S	*	.			trans	-73.2	55	179.3	62.2	0	0	0	0	112.7	C328	S326-C328 VanDerWaalsContact C-N 3.3Å; S326-C328 PolarHBondContact O-N 3.11Å
327	C	61.2	Low	80.8	Confident	25 Å²	25	73.9 Å²	73.9	17%	0.169	42%	0.423	C	S	.	.			trans	-86	76.8	165.3	-168.3	0	0	0	0	108.7	V297 V321 T325 A329	V297-C327 PolarHBondContact O-SG 2.98Å; V321-C327 HydrophobicContact CG1-CB 4.28Å; T325-C327 PolarHBondContact O-N 3.03Å; C327-A329 PolarHBondContact O-N 3.04Å
328	C	69.8	Low	81.1	Confident	47 Å²	47	81.3 Å²	81.3	32%	0.318	45%	0.45	S	S	.	.			trans	-86.7	52.5	-172.6	-59.8	0	0	0	0	112	S326 R330 Y341	S326-C328 VanDerWaalsContact C-N 3.3Å; S326-C328 PolarHBondContact O-N 3.11Å; C328-R330 PolarHBondContact O-N 3.02Å; C328-Y341 HydrophobicContact CB-CE1 3.96Å
329	A	89.6	Confident	81.3	Confident	2 Å²	2	75.5 Å²	75.5	2%	0.017	44%	0.435	C	S	.	.			trans	-65.9	121.1	169.2	0	0	0	0	0	108.6	L299 C327 I342	L299-A329 HydrophobicContact CB-CB 3.79Å; C327-A329 PolarHBondContact O-N 3.04Å; A329-I342 HydrophobicContact CB-CB 4.48Å; A329-I342 HydrophobicContact CB-CD1 3.77Å; A329-I342 HydrophobicContact CB-CG1 4.22Å; A329-I342 PolarHBondContact O-N 3.17Å; A329-I342 VanDerWaalsContact O-N 3.08Å
330	R	93.3	Very high	81.5	Confident	119 Å²	119	73.6 Å²	73.6	45%	0.449	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-124.8	143	-177.4	-67.9	179.6	-179	-176.1	4.7	110.3	C328 G339 R340 Y341	C328-R330 PolarHBondContact O-N 3.02Å; R330-G339 WeakPolarHBondContact CD-O 3.17Å; R330-R340 CarbonylContact C-O 3.56Å; R330-R340 WeakPolarHBondContact CA-O 3.21Å; R330-Y341 HydrophobicContact CG-CD1 3.79Å; R330-Y341 HydrophobicContact CG-CE1 3.98Å; R330-Y341 VanDerWaalsContact NE-CE1 3.27Å; R330-Y341 PolarHBondContact NH2-OH 3.16Å
331	C	95.8	Very high	81.9	Confident	4 Å²	4	75.1 Å²	75.1	3%	0.027	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.8	175.6	-59	0	0	0	0	110.9	C306 F337 R338 G339 R340	C306-C331 HydrophobicContact CB-CB 3.78Å; C306-C331 WeakPolarHBondContact CB-SG 3.37Å; C306-C331 WeakPolarHBondContact SG-CA 2.97Å; C306-C331 WeakPolarHBondContact SG-CB 3.02Å; C306-C331 CovalentContact SG-SG 2.02Å; C306-C331 PolarHBondContact SG-SG 3.08Å; C331-F337 HydrophobicContact CB-CB 4.14Å; C331-F337 VanDerWaalsContact CB-O 3.24Å; C331-F337 WeakPolarHBondContact CB-O 3.29Å; C331-R338 CarbonylContact O-C 3.28Å; C331-R338 WeakPolarHBondContact O-CA 3.35Å; C331-G339 PolarHBondContact O-N 3.14Å; C331-R340 PolarHBondContact N-O 2.89Å
332	H	96.8	Very high	82.7	Confident	96 Å²	96	74 Å²	74	44%	0.444	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-43.5	170.3	-176.4	83.6	0	0	0	111.1	P303 W304 R338	P303-H332 HydrophobicContact CB-CB 4.17Å; W304-H332 PolarHBondContact O-N 2.7Å; H332-R338 WeakPolarHBondContact O-CG 3.42Å
333	S	95.3	Very high	83.7	Confident	35 Å²	35	71.2 Å²	71.2	25%	0.245	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.5	174.8	58.8	0	0	0	0	110.4	W304 N305 C306	W304-S333 PolarHBondContact O-N 2.04Å; W304-S333 VanDerWaalsContact O-N 3.16Å; N305-S333 CarbonylContact C-O 3.59Å; N305-S333 WeakPolarHBondContact CA-O 3.24Å; N305-S333 WeakPolarHBondContact CA-OG 3.05Å; N305-S333 WeakPolarHBondContact CB-OG 3.21Å; N305-S333 VanDerWaalsContact CG-OG 3.27Å; N305-S333 PolarHBondContact OD1-OG 3.38Å; C306-S333 PolarHBondContact N-O 2.87Å
334	P	95.3	Very high	85	Confident	49 Å²	49	72.1 Å²	72.1	32%	0.318	39%	0.387	S	S	.	.	S	Bend	cis	-66.3	169.8	-14.1	30.3	-35.1	0	0	0	112.2	C306 T336 F337 R338	C306-P334 WeakPolarHBondContact O-CD 3.3Å; P334-T336 PolarHBondContact O-N 3.35Å; P334-T336 VanDerWaalsContact O-N 3.12Å; P334-F337 HydrophobicContact CG-CD2 3.81Å; P334-F337 HydrophobicContact CG-CE2 4.44Å; P334-F337 PolarHBondContact O-N 3.5Å; P334-F337 VanDerWaalsContact O-N 3.11Å; P334-R338 PolarHBondContact O-N 3.05Å; P334-R338 VanDerWaalsContact O-N 3.17Å
335	S	93.4	Very high	86.6	Confident	108 Å²	108	64.7 Å²	64.7	76%	0.755	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.5	-176	52.4	0	0	0	0	114	F337	S335-F337 VanDerWaalsContact C-N 3.35Å; S335-F337 PolarHBondContact O-N 3.18Å
336	T	93.3	Very high	87.9	Confident	101 Å²	101	65.4 Å²	65.4	62%	0.62	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.3	177.4	50.2	0	0	0	0	113.5	P334	P334-T336 PolarHBondContact O-N 3.35Å; P334-T336 VanDerWaalsContact O-N 3.12Å
337	F	93	Very high	89.6	Confident	31 Å²	31	65.1 Å²	65.1	14%	0.136	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-2.7	-179.6	-61.1	-61.3	0	0	0	113.2	C306 C331 P334 S335 G339 R340 L345 Y349 F350	C306-F337 HydrophobicContact CB-CB 4.41Å; C331-F337 HydrophobicContact CB-CB 4.14Å; C331-F337 VanDerWaalsContact CB-O 3.24Å; C331-F337 WeakPolarHBondContact CB-O 3.29Å; P334-F337 HydrophobicContact CG-CD2 3.81Å; P334-F337 HydrophobicContact CG-CE2 4.44Å; P334-F337 PolarHBondContact O-N 3.5Å; P334-F337 VanDerWaalsContact O-N 3.11Å; S335-F337 VanDerWaalsContact C-N 3.35Å; S335-F337 PolarHBondContact O-N 3.18Å; F337-G339 PolarHBondContact O-N 3.31Å; F337-R340 VanDerWaalsContact O-CB 3.28Å; F337-R340 WeakPolarHBondContact O-CB 3.43Å; F337-R340 WeakPolarHBondContact O-CG 3.4Å; F337-R340 PolarHBondContact O-N 3.38Å; F337-L345 HydrophobicContact CD1-CD2 4.14Å; F337-L345 HydrophobicContact CG-CD2 4.49Å; F337-Y349 HydrophobicContact CE1-CG 4.3Å; F337-Y349 HydrophobicContact CZ-CG 4.5Å; F337-F350 HydrophobicContact CD2-CE1 4.33Å; F337-F350 HydrophobicContact CD2-CZ 4.35Å; F337-F350 AromaticContact CE2-CE1 3.8Å; F337-F350 HydrophobicContact CE2-CE1 3.8Å; F337-F350 AromaticContact CE2-CZ 3.95Å; F337-F350 HydrophobicContact CE2-CZ 3.95Å; F337-F350 HydrophobicContact CZ-CE1 4.36Å; F337-F350 HydrophobicContact CZ-CZ 4.21Å
338	R	94.8	Very high	90.9	Very high	172 Å²	172	67.9 Å²	67.9	65%	0.649	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	125.9	-176.9	-176.5	172.7	178.2	173.7	1.3	111.8	C331 H332 P334 R340	C331-R338 CarbonylContact O-C 3.28Å; C331-R338 WeakPolarHBondContact O-CA 3.35Å; H332-R338 WeakPolarHBondContact O-CG 3.42Å; P334-R338 PolarHBondContact O-N 3.05Å; P334-R338 VanDerWaalsContact O-N 3.17Å; R338-R340 VanDerWaalsContact C-N 3.32Å
339	G	91.8	Very high	91.8	Very high	38 Å²	38	71.9 Å²	71.9	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-11	-179.7	0	0	0	0	0	115.3	R330 C331 F337	R330-G339 WeakPolarHBondContact CD-O 3.17Å; C331-G339 PolarHBondContact O-N 3.14Å; F337-G339 PolarHBondContact O-N 3.31Å
340	R	91.7	Very high	91.8	Very high	134 Å²	134	72.9 Å²	72.9	51%	0.506	37%	0.37	S	S	.	.			trans	-70.8	148.6	173.4	-65.5	-158.1	-177.4	-125.1	3.6	111.4	R330 C331 F337 R338	R330-R340 CarbonylContact C-O 3.56Å; R330-R340 WeakPolarHBondContact CA-O 3.21Å; C331-R340 PolarHBondContact N-O 2.89Å; F337-R340 VanDerWaalsContact O-CB 3.28Å; F337-R340 WeakPolarHBondContact O-CB 3.43Å; F337-R340 WeakPolarHBondContact O-CG 3.4Å; F337-R340 PolarHBondContact O-N 3.38Å; R338-R340 VanDerWaalsContact C-N 3.32Å
341	Y	91.5	Very high	91.6	Very high	82 Å²	82	75.3 Å²	75.3	32%	0.322	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-73.9	137.9	175.4	-65.9	-74.6	0	0	0	110.8	C328 R330 G343 E344	C328-Y341 HydrophobicContact CB-CE1 3.96Å; R330-Y341 HydrophobicContact CG-CD1 3.79Å; R330-Y341 HydrophobicContact CG-CE1 3.98Å; R330-Y341 VanDerWaalsContact NE-CE1 3.27Å; R330-Y341 PolarHBondContact NH2-OH 3.16Å; Y341-G343 PolarHBondContact O-N 2.86Å; Y341-E344 WeakPolarHBondContact CD2-OE1 3.47Å; Y341-E344 PolarHBondContact O-N 2.88Å
342	I	92.4	Very high	91.5	Very high	1 Å²	1	76 Å²	76	1%	0.005	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-63.4	-42.7	-177.7	-64.9	-180	0	0	0	111.1	W304 I310 L313 S314 L317 A329 E344 L345	W304-I342 HydrophobicContact CB-CD1 3.81Å; W304-I342 HydrophobicContact CD2-CD1 3.99Å; W304-I342 HydrophobicContact CG-CD1 3.52Å; I310-I342 HydrophobicContact CD1-CD1 4.32Å; I310-I342 HydrophobicContact CG1-CD1 4.14Å; I310-I342 HydrophobicContact CG1-CG2 3.84Å; L313-I342 HydrophobicContact CD2-CG2 4.4Å; L313-I342 HydrophobicContact CG-CG2 4.37Å; S314-I342 VanDerWaalsContact CB-O 3.22Å; S314-I342 WeakPolarHBondContact CB-O 3.32Å; S314-I342 PolarHBondContact OG-O 3.04Å; L317-I342 HydrophobicContact CD1-CB 4.14Å; L317-I342 HydrophobicContact CD1-CG2 3.97Å; A329-I342 HydrophobicContact CB-CB 4.48Å; A329-I342 HydrophobicContact CB-CD1 3.77Å; A329-I342 HydrophobicContact CB-CG1 4.22Å; A329-I342 PolarHBondContact O-N 3.17Å; A329-I342 VanDerWaalsContact O-N 3.08Å; I342-E344 PolarHBondContact O-N 3.09Å; I342-E344 VanDerWaalsContact O-N 3.12Å; I342-L345 HydrophobicContact CG2-CD1 4.41Å; I342-L345 VanDerWaalsContact O-CB 3.31Å; I342-L345 WeakPolarHBondContact O-CB 3.48Å; I342-L345 VanDerWaalsContact O-CG 3.3Å; I342-L345 WeakPolarHBondContact O-CG 3.06Å; I342-L345 PolarHBondContact O-N 2.99Å; I342-L345 VanDerWaalsContact O-N 3.07Å
343	G	88.6	Confident	91.2	Very high	25 Å²	25	77.3 Å²	77.3	26%	0.258	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-68.9	-5.7	-179.3	0	0	0	0	0	115.6	Y341	Y341-G343 PolarHBondContact O-N 2.86Å
344	E	88.1	Confident	90.9	Very high	127 Å²	127	79.6 Å²	79.6	59%	0.593	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-97.1	-3.1	174.2	-65.1	175.4	-176.8	0	0	112.3	Y341 I342 D346	Y341-E344 WeakPolarHBondContact CD2-OE1 3.47Å; Y341-E344 PolarHBondContact O-N 2.88Å; I342-E344 PolarHBondContact O-N 3.09Å; I342-E344 VanDerWaalsContact O-N 3.12Å; E344-D346 PolarHBondContact O-N 3.12Å
345	L	90	Very high	90.8	Very high	7 Å²	7	77.6 Å²	77.6	4%	0.037	40%	0.401	C	S	.	.			trans	-76	123.6	-179.8	-62.3	175.6	0	0	0	110.2	C306 I310 S314 F337 I342 F350	C306-L345 HydrophobicContact CB-CD1 3.93Å; I310-L345 HydrophobicContact CG2-CD1 3.71Å; S314-L345 PolarHBondContact OG-O 3.23Å; F337-L345 HydrophobicContact CD1-CD2 4.14Å; F337-L345 HydrophobicContact CG-CD2 4.49Å; I342-L345 HydrophobicContact CG2-CD1 4.41Å; I342-L345 VanDerWaalsContact O-CB 3.31Å; I342-L345 WeakPolarHBondContact O-CB 3.48Å; I342-L345 VanDerWaalsContact O-CG 3.3Å; I342-L345 WeakPolarHBondContact O-CG 3.06Å; I342-L345 PolarHBondContact O-N 2.99Å; I342-L345 VanDerWaalsContact O-N 3.07Å; L345-F350 HydrophobicContact CB-CE2 4.31Å; L345-F350 HydrophobicContact CD1-CZ 4.4Å; L345-F350 HydrophobicContact CD2-CZ 4.49Å
346	D	87.9	Confident	90.7	Very high	80 Å²	80	77.3 Å²	77.3	43%	0.428	39%	0.394	S	S	.	.			trans	-99.2	151.5	175.2	-172.1	20	0	0	0	111.3	E344 S348 Y349 F350	E344-D346 PolarHBondContact O-N 3.12Å; D346-S348 PolarHBondContact O-N 3.32Å; D346-S348 PolarHBondContact OD2-OG 3.09Å; D346-Y349 HydrophobicContact CB-CD2 3.91Å; D346-Y349 HydrophobicContact CB-CE2 3.76Å; D346-Y349 WeakPolarHBondContact O-CD2 3.49Å; D346-Y349 PolarHBondContact O-N 2.99Å; D346-F350 VanDerWaalsContact O-CD2 3.31Å; D346-F350 WeakPolarHBondContact O-CD2 3.28Å; D346-F350 WeakPolarHBondContact O-CE2 3.22Å
347	H	87.9	Confident	90.7	Very high	84 Å²	84	73.6 Å²	73.6	39%	0.389	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-59.6	-31.7	177.3	-176.5	70.8	0	0	0	112	W315 Y349 F350	W315-H347 HydrophobicContact CZ2-CB 4.12Å; H347-Y349 PolarHBondContact O-N 2.63Å; H347-F350 PolarHBondContact O-N 3.05Å; H347-F350 VanDerWaalsContact O-O 3.09Å
348	S	88.7	Confident	90.7	Very high	84 Å²	84	77.7 Å²	77.7	59%	0.587	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-57.2	-21.4	179.6	59.2	0	0	0	0	114.5	D346 F350	D346-S348 PolarHBondContact O-N 3.32Å; D346-S348 PolarHBondContact OD2-OG 3.09Å; S348-F350 VanDerWaalsContact C-N 3.31Å
349	Y	87.8	Confident	90.7	Very high	130 Å²	130	73 Å²	73	51%	0.51	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-81.4	-8.1	176.6	-59.4	-60.4	0	0	0	114.1	F337 D346 H347	F337-Y349 HydrophobicContact CE1-CG 4.3Å; F337-Y349 HydrophobicContact CZ-CG 4.5Å; D346-Y349 HydrophobicContact CB-CD2 3.91Å; D346-Y349 HydrophobicContact CB-CE2 3.76Å; D346-Y349 WeakPolarHBondContact O-CD2 3.49Å; D346-Y349 PolarHBondContact O-N 2.99Å; H347-Y349 PolarHBondContact O-N 2.63Å
350	F	90.3	Very high	90.8	Very high	23 Å²	23	74.9 Å²	74.9	10%	0.101	39%	0.388	C	S	.	.			trans	-127.2	140.8	-171.2	-56.5	-88.8	0	0	0	111.5	C306 L311 F337 L345 D346 H347 S348	C306-F350 WeakPolarHBondContact O-CE1 3.49Å; L311-F350 HydrophobicContact CD1-CB 4.19Å; L311-F350 HydrophobicContact CD1-CD2 4.1Å; L311-F350 HydrophobicContact CD1-CG 4.26Å; L311-F350 HydrophobicContact CD2-CD2 3.62Å; L311-F350 HydrophobicContact CD2-CE2 3.69Å; L311-F350 HydrophobicContact CD2-CG 4.47Å; L311-F350 HydrophobicContact CG-CD2 4.14Å; L311-F350 HydrophobicContact CG-CE2 4.43Å; F337-F350 HydrophobicContact CD2-CE1 4.33Å; F337-F350 HydrophobicContact CD2-CZ 4.35Å; F337-F350 AromaticContact CE2-CE1 3.8Å; F337-F350 HydrophobicContact CE2-CE1 3.8Å; F337-F350 AromaticContact CE2-CZ 3.95Å; F337-F350 HydrophobicContact CE2-CZ 3.95Å; F337-F350 HydrophobicContact CZ-CE1 4.36Å; F337-F350 HydrophobicContact CZ-CZ 4.21Å; L345-F350 HydrophobicContact CB-CE2 4.31Å; L345-F350 HydrophobicContact CD1-CZ 4.4Å; L345-F350 HydrophobicContact CD2-CZ 4.49Å; D346-F350 VanDerWaalsContact O-CD2 3.31Å; D346-F350 WeakPolarHBondContact O-CD2 3.28Å; D346-F350 WeakPolarHBondContact O-CE2 3.22Å; H347-F350 PolarHBondContact O-N 3.05Å; H347-F350 VanDerWaalsContact O-O 3.09Å; S348-F350 VanDerWaalsContact C-N 3.31Å
351	Q	90.4	Very high	91.1	Very high	171 Å²	171	69.1 Å²	69.1	80%	0.799	37%	0.368	S	S	*	.			trans	-104.5	107.8	166.4	-174.7	66.3	44.1	0	0	107.2
352	C	91.7	Very high	91.3	Very high	18 Å²	18	69.2 Å²	69.2	12%	0.122	38%	0.381	C	S	.	.			trans	-113.1	138.1	-173.1	-55.4	0	0	0	0	111.7	C308 A432	C308-C352 HydrophobicContact CB-CB 3.77Å; C308-C352 WeakPolarHBondContact CB-SG 3.36Å; C308-C352 WeakPolarHBondContact SG-CA 3.32Å; C308-C352 WeakPolarHBondContact SG-CB 3.46Å; C308-C352 CovalentContact SG-SG 2.04Å; C308-C352 PolarHBondContact SG-SG 3.34Å; C352-A432 HydrophobicContact CB-CB 3.94Å
353	D	90.6	Very high	91.5	Very high	124 Å²	124	74.5 Å²	74.5	66%	0.663	41%	0.409	S	S	*	.			trans	-106	152.1	178.8	-60.4	-49.7	0	0	0	111.1	N430 A432	D353-N430 PolarHBondContact O-ND2 3.43Å; D353-A432 VanDerWaalsContact C-CB 3.42Å; D353-A432 VanDerWaalsContact O-CB 3.24Å; D353-A432 WeakPolarHBondContact O-CB 3.4Å
354	V	90	Very high	91.8	Very high	83 Å²	83	75.9 Å²	75.9	50%	0.503	41%	0.411	S	S	.	.			trans	-59.1	153.3	173.6	-66.6	0	0	0	0	111.1
355	P	92.3	Very high	92.1	Very high	6 Å²	6	75.6 Å²	75.6	4%	0.039	41%	0.413	C	S	.	.			trans	-66.5	149.1	-176.4	12.2	-4	0	0	0	110.9	T382 V428 N430 G433 I435	P355-T382 HydrophobicContact CB-CG2 3.87Å; P355-V428 HydrophobicContact CB-CG1 3.81Å; P355-V428 HydrophobicContact CG-CG1 4.08Å; P355-N430 HydrophobicContact CB-CB 4.42Å; P355-N430 WeakPolarHBondContact CD-OD1 3.49Å; P355-N430 HydrophobicContact CG-CB 4.07Å; P355-G433 WeakPolarHBondContact CD-O 3.36Å; P355-I435 HydrophobicContact CB-CG2 4.29Å; P355-I435 HydrophobicContact CG-CG2 4.02Å; P355-I435 WeakPolarHBondContact O-CG2 3.03Å
356	V	91.7	Very high	92.3	Very high	102 Å²	102	76 Å²	76	62%	0.618	42%	0.415	S	S	*	.			trans	-110.1	124.6	178.2	-178.9	0	0	0	0	109.4	V358	V356-V358 PolarHBondContact O-N 3.37Å
357	I	93.5	Very high	92.6	Very high	24 Å²	24	74.3 Å²	74.3	12%	0.123	41%	0.409	C	S	.	.			trans	-81.7	107.6	170	-57.4	174.2	0	0	0	107.3	P360 V428 I435 A437	I357-P360 HydrophobicContact CG2-CB 4.03Å; I357-V428 HydrophobicContact CD1-CG2 4.19Å; I357-V428 HydrophobicContact CG1-CG2 4.04Å; I357-I435 HydrophobicContact CD1-CG1 4.36Å; I357-I435 HydrophobicContact CD1-CG2 4.02Å; I357-I435 HydrophobicContact CG1-CG2 3.92Å; I357-A437 HydrophobicContact CD1-CB 3.64Å
358	V	93.3	Very high	92.8	Very high	116 Å²	116	74.3 Å²	74.3	70%	0.703	41%	0.408	S	S	*	.	S	Bend	trans	-71.1	-41.8	-177	-179.1	0	0	0	0	110.7	V356 R377	V356-V358 PolarHBondContact O-N 3.37Å; V358-R377 PolarHBondContact N-O 2.93Å
359	E	94.2	Very high	92.8	Very high	73 Å²	73	72.7 Å²	72.7	34%	0.341	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-128.1	95.3	178.7	-165.9	176.8	172.5	0	0	108.1	K375 C376 R377	E359-K375 HydrophobicContact CG-CB 4.13Å; E359-C376 VanDerWaalsContact O-CA 3.32Å; E359-C376 WeakPolarHBondContact O-CA 3.49Å; E359-R377 HydrophobicContact CB-CB 3.91Å; E359-R377 HydrophobicContact CB-CG 4.24Å; E359-R377 PolarHBondContact N-O 3.44Å; E359-R377 PolarHBondContact O-N 3.36Å; E359-R377 VanDerWaalsContact O-N 3.07Å; E359-R377 VanDerWaalsContact OE2-CD 3.27Å; E359-R377 WeakPolarHBondContact OE2-CD 3.41Å; E359-R377 IonicContact OE2-CZ 3.93Å; E359-R377 IonicContact OE2-NE 3.17Å; E359-R377 IonicContact OE2-NH1 3.59Å; E359-R377 PolarHBondContact OE2-NH1 3.23Å
360	P	95	Very high	93	Very high	78 Å²	78	72 Å²	72	51%	0.506	41%	0.408	S	S	.	.			trans	-73.3	154.3	179.8	30.4	-34.3	0	0	0	111.2	I357 K375 A437	I357-P360 HydrophobicContact CG2-CB 4.03Å; P360-K375 CarbonylContact C-O 3.4Å; P360-A437 HydrophobicContact CB-CB 4.34Å
361	P	96.7	Very high	93.1	Very high	13 Å²	13	73.2 Å²	73.2	8%	0.084	43%	0.428	C	S	.	.			trans	-67.6	142.5	177.9	29	-35.3	0	0	0	110.9	L374 K375 W386 A437 A439	P361-L374 HydrophobicContact CB-CB 4.46Å; P361-K375 WeakPolarHBondContact CA-O 3.38Å; P361-K375 WeakPolarHBondContact CB-O 3.34Å; P361-K375 WeakPolarHBondContact CD-O 3.32Å; P361-W386 HydrophobicContact CB-CH2 3.82Å; P361-W386 HydrophobicContact CG-CH2 4.04Å; P361-A437 HydrophobicContact CG-CB 4.13Å; P361-A439 HydrophobicContact CB-CB 3.67Å; P361-A439 HydrophobicContact CG-CB 4.13Å
362	S	96.5	Very high	93.3	Very high	85 Å²	85	65.3 Å²	65.3	59%	0.594	39%	0.392	S	S	*	.			trans	-113.3	151.5	175.7	58.9	0	0	0	0	110.7	L364	S362-L364 PolarHBondContact O-N 3.35Å
363	D	96.6	Very high	93.4	Very high	112 Å²	112	68.7 Å²	68.7	60%	0.599	41%	0.406	S	S	*	.			trans	-57.9	137.8	175.5	-61.4	-24.2	0	0	0	111.1	A439 V440	D363-A439 WeakPolarHBondContact OD1-CA 3.26Å; D363-V440 WeakPolarHBondContact CA-O 3.48Å; D363-V440 PolarHBondContact OD1-N 3.07Å
364	L	95.1	Very high	93.7	Very high	54 Å²	54	62.9 Å²	62.9	28%	0.283	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.2	-172.2	-170.7	69.8	0	0	0	111.3	S362 V366 A372 L374 V440 L441 N442	S362-L364 PolarHBondContact O-N 3.35Å; L364-V366 HydrophobicContact CD1-CG2 4.46Å; L364-V366 HydrophobicContact CD2-CG2 3.52Å; L364-V366 HydrophobicContact CG-CG2 3.55Å; L364-A372 HydrophobicContact CD2-CB 3.99Å; L364-L374 HydrophobicContact CB-CD2 4.12Å; L364-L374 HydrophobicContact CD2-CD2 4.46Å; L364-V440 PolarHBondContact N-O 2.93Å; L364-L441 HydrophobicContact CB-CD1 4.17Å; L364-L441 HydrophobicContact CD2-CD1 4.17Å; L364-L441 HydrophobicContact CG-CD1 4.43Å; L364-N442 PolarHBondContact O-N 3.23Å
365	N	94.6	Very high	94	Very high	121 Å²	121	61.3 Å²	61.3	65%	0.647	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.7	174.1	-63	-18.8	0	0	0	109.3	N442	N365-N442 WeakPolarHBondContact CA-O 3.34Å; N365-N442 WeakPolarHBondContact OD1-CB 3.4Å
366	V	94	Very high	94.1	Very high	14 Å²	14	61 Å²	61	9%	0.085	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.5	-174.7	-170.4	0	0	0	0	110	L364 M370 A372 V416 L441 N442 V443 T444	L364-V366 HydrophobicContact CD1-CG2 4.46Å; L364-V366 HydrophobicContact CD2-CG2 3.52Å; L364-V366 HydrophobicContact CG-CG2 3.55Å; V366-M370 HydrophobicContact CG1-CB 3.76Å; V366-A372 HydrophobicContact CG1-CB 4.42Å; V366-A372 HydrophobicContact CG2-CB 3.94Å; V366-V416 HydrophobicContact CB-CG2 4.23Å; V366-V416 HydrophobicContact CG1-CG2 3.78Å; V366-L441 HydrophobicContact CG2-CD1 4.04Å; V366-N442 PolarHBondContact N-O 2.83Å; V366-V443 CarbonylContact O-C 3.59Å; V366-V443 VanDerWaalsContact O-CA 3.23Å; V366-V443 WeakPolarHBondContact O-CA 3.18Å; V366-T444 PolarHBondContact O-N 3.1Å
367	T	93.6	Very high	94.2	Very high	46 Å²	46	61 Å²	61	28%	0.282	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	145.6	172.7	52.8	0	0	0	0	111.2	G369 M370 V416 T444	T367-G369 PolarHBondContact O-N 3.41Å; T367-M370 PolarHBondContact O-N 3.37Å; T367-M370 WeakPolarHBondContact OG1-CE 3.41Å; T367-M370 WeakPolarHBondContact OG1-CG 3.38Å; T367-M370 PolarHBondContact OG1-SD 3.15Å; T367-V416 WeakPolarHBondContact O-CG2 3.38Å; T367-T444 CarbonylContact C-O 3.37Å; T367-T444 WeakPolarHBondContact CA-O 3.39Å; T367-T444 WeakPolarHBondContact CG2-OG1 3.42Å
368	E	93.1	Very high	94	Very high	83 Å²	83	60.7 Å²	60.7	39%	0.388	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	135.1	177.5	-175.4	168.9	-136.8	0	0	112.7	V443 T444	E368-V443 HydrophobicContact CB-CG1 4.21Å; E368-T444 PolarHBondContact N-O 3.18Å
369	G	88.8	Confident	93.6	Very high	51 Å²	51	58.1 Å²	58.1	53%	0.526	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-14.1	179.3	0	0	0	0	0	115.9	T367 V416	T367-G369 PolarHBondContact O-N 3.41Å; G369-V416 PolarHBondContact N-O 3.26Å
370	M	90.8	Very high	92.9	Very high	114 Å²	114	57.4 Å²	57.4	56%	0.562	34%	0.337	S	S	*	.	S	Bend	trans	-78.2	158.2	172.9	-66	-170.9	-172.1	0	0	112	V366 T367 V416	V366-M370 HydrophobicContact CG1-CB 3.76Å; T367-M370 PolarHBondContact O-N 3.37Å; T367-M370 WeakPolarHBondContact OG1-CE 3.41Å; T367-M370 WeakPolarHBondContact OG1-CG 3.38Å; T367-M370 PolarHBondContact OG1-SD 3.15Å; M370-V416 WeakPolarHBondContact O-CG2 3.48Å; M370-V416 PolarHBondContact O-N 3.45Å
371	G	92.4	Very high	92.5	Very high	50 Å²	50	54.4 Å²	54.4	52%	0.515	32%	0.317	S	S	.	.			trans	-76.9	149.4	168.1	0	0	0	0	0	111.2	F413	G371-F413 WeakPolarHBondContact CA-O 3.34Å
372	A	93.9	Very high	92.2	Very high	5 Å²	5	54.1 Å²	54.1	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.4	-179.5	0	0	0	0	0	110.9	L364 V366 F413 V416 L441	L364-A372 HydrophobicContact CD2-CB 3.99Å; V366-A372 HydrophobicContact CG1-CB 4.42Å; V366-A372 HydrophobicContact CG2-CB 3.94Å; A372-F413 HydrophobicContact CB-CB 4.11Å; A372-F413 HydrophobicContact CB-CD2 4.16Å; A372-F413 HydrophobicContact CB-CG 4.36Å; A372-F413 PolarHBondContact N-O 3.47Å; A372-F413 VanDerWaalsContact N-O 3.13Å; A372-F413 WeakPolarHBondContact O-CD2 3.36Å; A372-F413 PolarHBondContact O-N 3.36Å; A372-V416 HydrophobicContact CB-CG1 3.57Å; A372-L441 HydrophobicContact CB-CD1 4.46Å
373	E	95.3	Very high	92	Very high	89 Å²	89	51.1 Å²	51.1	42%	0.416	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.5	178.6	-66.4	-175.3	168	0	0	110.5	K375 T410 L411	E373-K375 WeakPolarHBondContact OE2-CE 3.49Å; E373-K375 IonicContact OE2-NZ 2.73Å; E373-K375 PolarHBondContact OE2-NZ 2.98Å; E373-T410 HydrophobicContact CB-CG2 3.97Å; E373-T410 HydrophobicContact CG-CG2 4.44Å; E373-L411 WeakPolarHBondContact CA-O 3.45Å
374	L	96.1	Very high	91.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.2	169.7	-61.8	177	0	0	0	108.8	P361 L364 W386 T410 L411 F413 Y424	P361-L374 HydrophobicContact CB-CB 4.46Å; L364-L374 HydrophobicContact CB-CD2 4.12Å; L364-L374 HydrophobicContact CD2-CD2 4.46Å; L374-W386 HydrophobicContact CB-CH2 3.59Å; L374-W386 HydrophobicContact CB-CZ2 4.13Å; L374-W386 HydrophobicContact CB-CZ3 4.26Å; L374-W386 HydrophobicContact CD1-CH2 4.32Å; L374-W386 HydrophobicContact CD1-CZ3 4.16Å; L374-W386 WeakPolarHBondContact O-CZ2 3.32Å; L374-T410 WeakPolarHBondContact O-CA 3.44Å; L374-T410 WeakPolarHBondContact O-CG2 3.31Å; L374-L411 HydrophobicContact CB-CB 4.38Å; L374-L411 HydrophobicContact CD1-CD2 4.46Å; L374-L411 PolarHBondContact N-O 2.93Å; L374-L411 PolarHBondContact O-N 3.05Å; L374-F413 HydrophobicContact CD1-CE2 4.34Å; L374-F413 HydrophobicContact CG-CE2 4.46Å; L374-Y424 HydrophobicContact CD1-CD2 4.02Å; L374-Y424 HydrophobicContact CD1-CG 3.9Å
375	K	95.9	Very high	91.8	Very high	51 Å²	51	44.3 Å²	44.3	22%	0.222	26%	0.259	C	S	.	.			trans	-70.1	136.3	-177	-60.3	-67.3	169.7	-167.7	0	110.8	E359 P360 P361 E373 T410	E359-K375 HydrophobicContact CG-CB 4.13Å; P360-K375 CarbonylContact C-O 3.4Å; P361-K375 WeakPolarHBondContact CA-O 3.38Å; P361-K375 WeakPolarHBondContact CB-O 3.34Å; P361-K375 WeakPolarHBondContact CD-O 3.32Å; E373-K375 WeakPolarHBondContact OE2-CE 3.49Å; E373-K375 IonicContact OE2-NZ 2.73Å; E373-K375 PolarHBondContact OE2-NZ 2.98Å; K375-T410 HydrophobicContact CD-CG2 3.9Å
376	C	95.1	Very high	91.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.229	C	C	.	.			trans	-149.1	71.3	169.3	-172	0	0	0	0	109.3	E359 W386 G409 C426	E359-C376 VanDerWaalsContact O-CA 3.32Å; E359-C376 WeakPolarHBondContact O-CA 3.49Å; C376-W386 HydrophobicContact CB-CH2 4.33Å; C376-W386 HydrophobicContact CB-CZ2 3.52Å; C376-G409 WeakPolarHBondContact O-CA 3.37Å; C376-C426 HydrophobicContact CB-CB 3.74Å; C376-C426 WeakPolarHBondContact CB-SG 3.49Å; C376-C426 WeakPolarHBondContact SG-CB 3.44Å; C376-C426 CovalentContact SG-SG 2.03Å; C376-C426 PolarHBondContact SG-SG 3.12Å
377	R	93.5	Very high	91.9	Very high	101 Å²	101	40.8 Å²	40.8	38%	0.381	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-84.3	130.9	-173.1	-64.8	-168.4	174.3	150.2	-12.7	112.1	V358 E359 D408	V358-R377 PolarHBondContact N-O 2.93Å; E359-R377 HydrophobicContact CB-CB 3.91Å; E359-R377 HydrophobicContact CB-CG 4.24Å; E359-R377 PolarHBondContact N-O 3.44Å; E359-R377 PolarHBondContact O-N 3.36Å; E359-R377 VanDerWaalsContact O-N 3.07Å; E359-R377 VanDerWaalsContact OE2-CD 3.27Å; E359-R377 WeakPolarHBondContact OE2-CD 3.41Å; E359-R377 IonicContact OE2-CZ 3.93Å; E359-R377 IonicContact OE2-NE 3.17Å; E359-R377 IonicContact OE2-NH1 3.59Å; E359-R377 PolarHBondContact OE2-NH1 3.23Å; R377-D408 WeakPolarHBondContact CA-O 3.35Å; R377-D408 HydrophobicContact CG-CB 4.42Å; R377-D408 IonicContact CZ-OD2 2.75Å; R377-D408 IonicContact NE-OD2 2.99Å; R377-D408 PolarHBondContact NE-OD2 3.28Å; R377-D408 IonicContact NH2-OD2 2.63Å
378	T	90.1	Very high	91.9	Very high	18 Å²	18	39.2 Å²	39.2	11%	0.11	23%	0.23	C	C	.	.			trans	-146	171.2	178.9	166.4	0	0	0	0	109.5	T382 I384 V428	T378-T382 VanDerWaalsContact CG2-OG1 3.31Å; T378-T382 WeakPolarHBondContact CG2-OG1 3.42Å; T378-T382 PolarHBondContact OG1-OG1 3.31Å; T378-I384 HydrophobicContact CG2-CD1 3.19Å; T378-I384 HydrophobicContact CG2-CG1 3.61Å; T378-V428 HydrophobicContact CG2-CG1 3.95Å; T378-V428 HydrophobicContact CG2-CG2 4.14Å
379	S	84.3	Confident	91.9	Very high	62 Å²	62	37.9 Å²	37.9	43%	0.434	23%	0.229	S	C	.	.			trans	-50.6	139.1	171.3	174.4	0	0	0	0	111.3	R261 L381 T382	R261-S379 PolarHBondContact NH2-O 3.29Å; S379-L381 PolarHBondContact O-N 2.86Å; S379-T382 PolarHBondContact O-N 3.37Å; S379-T382 PolarHBondContact O-OG1 3.39Å; S379-T382 VanDerWaalsContact O-OG1 3.05Å
380	S	79.6	Confident	92	Very high	58 Å²	58	42 Å²	42	41%	0.406	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-13.8	-179.3	54.9	0	0	0	0	114.6
381	L	85.6	Confident	91.9	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.079	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-23.4	-173.1	-50.3	-175.6	0	0	0	113.7	F282 H285 D309 S379	F282-L381 HydrophobicContact CB-CD1 4.38Å; F282-L381 HydrophobicContact CB-CD2 3.98Å; F282-L381 HydrophobicContact CD1-CD1 4.21Å; F282-L381 HydrophobicContact CD1-CD2 3.81Å; F282-L381 HydrophobicContact CD2-CD2 2.97Å; F282-L381 HydrophobicContact CD2-CG 4.38Å; F282-L381 HydrophobicContact CE1-CD2 4Å; F282-L381 HydrophobicContact CE2-CD2 3.2Å; F282-L381 HydrophobicContact CG-CD1 4.16Å; F282-L381 HydrophobicContact CG-CD2 3.3Å; F282-L381 HydrophobicContact CG-CG 4.4Å; F282-L381 HydrophobicContact CZ-CD2 3.71Å; H285-L381 WeakPolarHBondContact CB-O 3.28Å; H285-L381 PolarHBondContact N-O 3.38Å; D309-L381 HydrophobicContact CB-CB 4.42Å; D309-L381 HydrophobicContact CB-CD1 3.83Å; D309-L381 VanDerWaalsContact CG-CD1 3.43Å; D309-L381 WeakPolarHBondContact OD2-CD1 3.44Å; S379-L381 PolarHBondContact O-N 2.86Å
382	T	91.4	Very high	91.9	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.037	23%	0.231	C	C	.	.	S	Bend	trans	-74.3	146.3	-178.2	63.3	0	0	0	0	110.2	R261 P355 T378 S379 V428 S429 N430	R261-T382 WeakPolarHBondContact CD-O 3.31Å; R261-T382 PolarHBondContact NE-O 3.34Å; P355-T382 HydrophobicContact CB-CG2 3.87Å; T378-T382 VanDerWaalsContact CG2-OG1 3.31Å; T378-T382 WeakPolarHBondContact CG2-OG1 3.42Å; T378-T382 PolarHBondContact OG1-OG1 3.31Å; S379-T382 PolarHBondContact O-N 3.37Å; S379-T382 PolarHBondContact O-OG1 3.39Å; S379-T382 VanDerWaalsContact O-OG1 3.05Å; T382-V428 HydrophobicContact CG2-CG1 4.28Å; T382-V428 WeakPolarHBondContact OG1-CG1 3.41Å; T382-S429 CarbonylContact C-O 3.58Å; T382-S429 WeakPolarHBondContact CA-O 3.27Å; T382-S429 WeakPolarHBondContact CB-O 3.14Å; T382-N430 HydrophobicContact CG2-CB 4.29Å
383	S	92.2	Very high	91.8	Very high	23 Å²	23	43.4 Å²	43.4	16%	0.161	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.1	169.4	-175.2	0	0	0	0	109.6	V428 S429	S383-V428 WeakPolarHBondContact O-CA 3.47Å; S383-S429 PolarHBondContact N-O 3.43Å; S383-S429 PolarHBondContact O-N 3.4Å
384	I	94.1	Very high	91.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.9	179.2	-53.4	175	0	0	0	108.5	T378 V428	T378-I384 HydrophobicContact CG2-CD1 3.19Å; T378-I384 HydrophobicContact CG2-CG1 3.61Å; I384-V428 HydrophobicContact CG1-CG2 4.39Å
385	S	93.6	Very high	91.4	Very high	20 Å²	20	40.5 Å²	40.5	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.6	172.4	60.4	0	0	0	0	110.7	I394 M427	S385-I394 CarbonylContact C-O 3.54Å; S385-I394 WeakPolarHBondContact CA-O 3.5Å; S385-M427 PolarHBondContact N-O 3.23Å; S385-M427 PolarHBondContact O-N 2.89Å; S385-M427 WeakPolarHBondContact OG-CE 3.49Å
386	W	95.3	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128	179.1	-81.5	88.8	0	0	0	110.2	P361 L374 C376 L393 I394 V405 G409 L411 T425 C426	P361-W386 HydrophobicContact CB-CH2 3.82Å; P361-W386 HydrophobicContact CG-CH2 4.04Å; L374-W386 HydrophobicContact CB-CH2 3.59Å; L374-W386 HydrophobicContact CB-CZ2 4.13Å; L374-W386 HydrophobicContact CB-CZ3 4.26Å; L374-W386 HydrophobicContact CD1-CH2 4.32Å; L374-W386 HydrophobicContact CD1-CZ3 4.16Å; L374-W386 WeakPolarHBondContact O-CZ2 3.32Å; C376-W386 HydrophobicContact CB-CH2 4.33Å; C376-W386 HydrophobicContact CB-CZ2 3.52Å; W386-L393 CarbonylContact O-C 3.59Å; W386-L393 WeakPolarHBondContact O-CA 3.45Å; W386-I394 HydrophobicContact CB-CB 4.39Å; W386-I394 PolarHBondContact N-O 2.87Å; W386-I394 PolarHBondContact O-N 3.28Å; W386-V405 HydrophobicContact CG-CG2 4.33Å; W386-G409 PolarHBondContact NE1-O 3.5Å; W386-L411 HydrophobicContact CB-CD2 4.43Å; W386-L411 HydrophobicContact CD2-CB 3.82Å; W386-L411 HydrophobicContact CD2-CD2 3.98Å; W386-L411 HydrophobicContact CD2-CG 4.42Å; W386-L411 HydrophobicContact CE3-CB 4.4Å; W386-L411 HydrophobicContact CE3-CD2 3.97Å; W386-L411 HydrophobicContact CG-CB 4.11Å; W386-L411 HydrophobicContact CG-CD1 4.37Å; W386-L411 HydrophobicContact CG-CD2 4.21Å; W386-L411 HydrophobicContact CG-CG 4.48Å; W386-L411 HydrophobicContact CH2-CB 4.39Å; W386-L411 HydrophobicContact CZ2-CB 3.84Å; W386-L411 HydrophobicContact CZ3-CD2 4.49Å; W386-T425 WeakPolarHBondContact CA-O 3.01Å; W386-C426 HydrophobicContact CD2-CB 4.08Å; W386-C426 HydrophobicContact CE3-CB 4.12Å; W386-C426 HydrophobicContact CH2-CB 3.88Å; W386-C426 HydrophobicContact CZ2-CB 3.8Å; W386-C426 HydrophobicContact CZ3-CB 4.01Å
387	L	95.8	Very high	90.5	Very high	61 Å²	61	40 Å²	40	32%	0.319	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.8	170.2	-174.9	67	0	0	0	109	Y424 T425 M427	L387-Y424 WeakPolarHBondContact O-CA 3.43Å; L387-T425 PolarHBondContact N-O 3.36Å; L387-T425 PolarHBondContact O-N 3.08Å; L387-M427 HydrophobicContact CB-CE 4.3Å; L387-M427 HydrophobicContact CB-SD 4.47Å
388	T	93.3	Very high	90	Very high	14 Å²	14	36.9 Å²	36.9	9%	0.086	24%	0.237	C	C	.	.			trans	-80.1	162.6	175.7	69.2	0	0	0	0	111.6	N390 G391 S392 I394 Y424	T388-N390 PolarHBondContact O-N 3.41Å; T388-N390 VanDerWaalsContact O-N 3.09Å; T388-G391 PolarHBondContact O-N 2.95Å; T388-S392 PolarHBondContact N-O 3.46Å; T388-S392 WeakPolarHBondContact OG1-CB 3.24Å; T388-S392 PolarHBondContact OG1-N 2.98Å; T388-S392 VanDerWaalsContact OG1-N 3.09Å; T388-S392 PolarHBondContact OG1-O 3.04Å; T388-I394 HydrophobicContact CG2-CD1 3.45Å; T388-I394 VanDerWaalsContact CG2-CD1 3.45Å; T388-I394 HydrophobicContact CG2-CG1 3.89Å; T388-Y424 HydrophobicContact CG2-CD1 4.43Å; T388-Y424 HydrophobicContact CG2-CE1 4.05Å
389	P	92.8	Very high	89.1	Confident	54 Å²	54	44.9 Å²	44.9	35%	0.351	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.8	175.1	-24.1	32	0	0	0	113.6	G391 T423 Y424	P389-G391 PolarHBondContact O-N 3.49Å; P389-T423 WeakPolarHBondContact CG-O 3.41Å; P389-Y424 HydrophobicContact CG-CD2 4.15Å; P389-Y424 HydrophobicContact CG-CE1 4.48Å; P389-Y424 HydrophobicContact CG-CE2 3.77Å
390	N	90.4	Very high	88.8	Confident	139 Å²	139	46.1 Å²	46.1	74%	0.743	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.3	178.3	-61.5	-18.9	0	0	0	113.2	T388 S392	T388-N390 PolarHBondContact O-N 3.41Å; T388-N390 VanDerWaalsContact O-N 3.09Å; N390-S392 VanDerWaalsContact C-N 3.34Å
391	G	90.1	Very high	88.7	Confident	53 Å²	53	49 Å²	49	55%	0.546	28%	0.279	S	S	.	.	S	Bend	trans	78.3	11.6	-177.8	0	0	0	0	0	114.8	T388 P389	T388-G391 PolarHBondContact O-N 2.95Å; P389-G391 PolarHBondContact O-N 3.49Å
392	S	91.1	Very high	88.8	Confident	52 Å²	52	51.8 Å²	51.8	36%	0.364	29%	0.288	S	S	.	.			trans	-85.9	139	177	-56.8	0	0	0	0	111.4	T388 N390	T388-S392 PolarHBondContact N-O 3.46Å; T388-S392 WeakPolarHBondContact OG1-CB 3.24Å; T388-S392 PolarHBondContact OG1-N 2.98Å; T388-S392 VanDerWaalsContact OG1-N 3.09Å; T388-S392 PolarHBondContact OG1-O 3.04Å; N390-S392 VanDerWaalsContact C-N 3.34Å
393	L	91.4	Very high	88.7	Confident	93 Å²	93	52.3 Å²	52.3	49%	0.487	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.1	171.8	-160.6	73.3	0	0	0	110.9	W386 T395 M427	W386-L393 CarbonylContact O-C 3.59Å; W386-L393 WeakPolarHBondContact O-CA 3.45Å; L393-T395 HydrophobicContact CD2-CG2 4.33Å; L393-M427 HydrophobicContact CD1-CE 3.19Å
394	I	91.9	Very high	88.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.5	172.8	-50.9	179.9	0	0	0	108.5	S385 W386 T388 A398 K400 L403 V405 L411	S385-I394 CarbonylContact C-O 3.54Å; S385-I394 WeakPolarHBondContact CA-O 3.5Å; W386-I394 HydrophobicContact CB-CB 4.39Å; W386-I394 PolarHBondContact N-O 2.87Å; W386-I394 PolarHBondContact O-N 3.28Å; T388-I394 HydrophobicContact CG2-CD1 3.45Å; T388-I394 VanDerWaalsContact CG2-CD1 3.45Å; T388-I394 HydrophobicContact CG2-CG1 3.89Å; I394-A398 HydrophobicContact CG2-CB 4.18Å; I394-K400 HydrophobicContact CD1-CD 4.3Å; I394-L403 HydrophobicContact CD1-CB 4.19Å; I394-L403 HydrophobicContact CD1-CD2 3.74Å; I394-V405 HydrophobicContact CB-CG2 4.32Å; I394-V405 HydrophobicContact CG2-CG2 3.76Å; I394-L411 HydrophobicContact CD1-CD1 4.47Å
395	T	92.2	Very high	88.7	Confident	27 Å²	27	53.3 Å²	53.3	17%	0.166	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	171.9	176.5	64.4	0	0	0	0	110.2	L393 G397 A398	L393-T395 HydrophobicContact CD2-CG2 4.33Å; T395-G397 PolarHBondContact O-N 2.92Å; T395-A398 WeakPolarHBondContact O-CB 3.43Å; T395-A398 PolarHBondContact O-N 2.89Å; T395-A398 VanDerWaalsContact O-N 3.13Å
396	H	89.5	Confident	88.6	Confident	32 Å²	32	55.2 Å²	55.2	15%	0.148	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.8	177.1	-177.2	-113.9	0	0	0	113	P237 E260 R261 N262 V405 N407	P237-H396 WeakPolarHBondContact CD-CE1 3.3Å; P237-H396 WeakPolarHBondContact CG-CE1 3.35Å; P237-H396 WeakPolarHBondContact CG-ND1 3.35Å; E260-H396 IonicContact OE2-CE1 2.84Å; E260-H396 PolarHBondContact OE2-CE1 2.98Å; E260-H396 VanDerWaalsContact OE2-CE1 3.29Å; E260-H396 IonicContact OE2-NE2 2.96Å; R261-H396 HydrophobicContact CB-CB 4.15Å; R261-H396 PolarHBondContact O-ND1 3.36Å; N262-H396 HydrophobicContact CB-CB 4.39Å; N262-H396 PolarHBondContact OD1-N 2.83Å; H396-V405 PolarHBondContact CD2-O 3.34Å; H396-N407 PolarHBondContact CD2-N 2.99Å; H396-N407 VanDerWaalsContact CD2-N 3.35Å; H396-N407 PolarHBondContact NE2-N 3.36Å
397	G	83.1	Confident	88.4	Confident	10 Å²	10	57.7 Å²	57.7	10%	0.103	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.3	177.6	0	0	0	0	0	114.3	N262 T395 Y399	N262-G397 VanDerWaalsContact CB-N 3.34Å; T395-G397 PolarHBondContact O-N 2.92Å; G397-Y399 PolarHBondContact O-N 2.94Å
398	A	82.6	Confident	88.2	Confident	34 Å²	34	57 Å²	57	28%	0.281	32%	0.316	S	S	.	.			trans	-72.7	115.5	-177	0	0	0	0	0	111.2	I394 T395 K400	I394-A398 HydrophobicContact CG2-CB 4.18Å; T395-A398 WeakPolarHBondContact O-CB 3.43Å; T395-A398 PolarHBondContact O-N 2.89Å; T395-A398 VanDerWaalsContact O-N 3.13Å; A398-K400 PolarHBondContact O-N 3.24Å
399	Y	70.5	Confident	88.1	Confident	186 Å²	186	56.3 Å²	56.3	73%	0.729	31%	0.312	S	S	*	.			trans	-79.7	101.1	173.4	-170.9	-96.9	0	0	0	110.9	G397 V401	G397-Y399 PolarHBondContact O-N 2.94Å; Y399-V401 HydrophobicContact CE1-CG2 4.32Å
400	K	79.3	Confident	88.2	Confident	89 Å²	89	53.8 Å²	53.8	39%	0.387	30%	0.295	S	S	.	.			trans	-123.7	135.7	166.6	-73.2	-176	-179.5	-178.2	0	109.3	I394 A398 R402 L403	I394-K400 HydrophobicContact CD1-CD 4.3Å; A398-K400 PolarHBondContact O-N 3.24Å; K400-R402 VanDerWaalsContact C-N 3.34Å; K400-R402 PolarHBondContact O-N 3.42Å; K400-L403 VanDerWaalsContact CB-O 3.26Å; K400-L403 WeakPolarHBondContact CB-O 3.41Å; K400-L403 VanDerWaalsContact O-O 3.11Å
401	V	76.4	Confident	88.4	Confident	118 Å²	118	47.1 Å²	47.1	72%	0.715	26%	0.26	S	S	*	.	S	Bend	trans	-65.5	-35.5	-171.1	-177.2	0	0	0	0	112.7	Y399	Y399-V401 HydrophobicContact CE1-CG2 4.32Å
402	R	88.3	Confident	88.6	Confident	74 Å²	74	46.3 Å²	46.3	28%	0.279	24%	0.243	S	C	.	.	S	Bend	trans	-101.8	-30.5	-176.4	-65.6	-165.5	-53	106.4	-0.7	115	K400 F413 T414 S415 D420	K400-R402 VanDerWaalsContact C-N 3.34Å; K400-R402 PolarHBondContact O-N 3.42Å; R402-F413 WeakPolarHBondContact O-CA 3.1Å; R402-T414 WeakPolarHBondContact CA-OG1 3.42Å; R402-T414 PolarHBondContact O-N 3.44Å; R402-T414 PolarHBondContact O-OG1 2.96Å; R402-S415 PolarHBondContact NH1-O 3.01Å; R402-D420 IonicContact CZ-OD1 3.76Å; R402-D420 IonicContact CZ-OD2 3.53Å; R402-D420 IonicContact NH1-OD1 3.62Å; R402-D420 IonicContact NH1-OD2 2.74Å; R402-D420 PolarHBondContact NH1-OD2 2.96Å; R402-D420 IonicContact NH2-OD1 2.92Å; R402-D420 PolarHBondContact NH2-OD1 3.44Å; R402-D420 IonicContact NH2-OD2 3.39Å; R402-D420 PolarHBondContact NH2-OD2 3.05Å
403	L	89.6	Confident	88.8	Confident	16 Å²	16	43.9 Å²	43.9	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.8	-176.9	-72.4	85.8	0	0	0	108.9	I394 K400 N412 F413 Y424	I394-L403 HydrophobicContact CD1-CB 4.19Å; I394-L403 HydrophobicContact CD1-CD2 3.74Å; K400-L403 VanDerWaalsContact CB-O 3.26Å; K400-L403 WeakPolarHBondContact CB-O 3.41Å; K400-L403 VanDerWaalsContact O-O 3.11Å; L403-N412 WeakPolarHBondContact CA-O 3.37Å; L403-F413 HydrophobicContact CD1-CD1 4.29Å; L403-F413 HydrophobicContact CD1-CE1 4.33Å; L403-F413 HydrophobicContact CD2-CD1 4.03Å; L403-F413 HydrophobicContact CD2-CE1 3.4Å; L403-F413 HydrophobicContact CD2-CZ 3.89Å; L403-F413 HydrophobicContact CG-CD1 3.71Å; L403-F413 HydrophobicContact CG-CE1 3.64Å; L403-F413 HydrophobicContact CG-CZ 4.41Å; L403-Y424 HydrophobicContact CD2-CE1 4.44Å
404	S	91.8	Very high	88.8	Confident	39 Å²	39	43.4 Å²	43.4	27%	0.273	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.7	173.7	58.4	0	0	0	0	110.6	N412	S404-N412 PolarHBondContact N-O 3.36Å; S404-N412 PolarHBondContact O-N 3.25Å
405	V	92.9	Very high	88.8	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.6	169.4	178.6	0	0	0	0	106.7	W386 I394 H396 T410 L411	W386-V405 HydrophobicContact CG-CG2 4.33Å; I394-V405 HydrophobicContact CB-CG2 4.32Å; I394-V405 HydrophobicContact CG2-CG2 3.76Å; H396-V405 PolarHBondContact CD2-O 3.34Å; V405-T410 WeakPolarHBondContact CA-O 3.35Å; V405-L411 HydrophobicContact CG2-CD1 3.81Å
406	L	91.9	Very high	88.8	Confident	60 Å²	60	44.1 Å²	44.1	31%	0.314	23%	0.233	S	C	.	.			trans	-86.7	162.9	176	-58.8	-177	0	0	0	111	D408 G409 T410 N412	L406-D408 WeakPolarHBondContact CB-OD1 3.31Å; L406-D408 PolarHBondContact O-N 3.45Å; L406-D408 VanDerWaalsContact O-N 3.13Å; L406-G409 WeakPolarHBondContact O-CA 3.27Å; L406-G409 PolarHBondContact O-N 3.3Å; L406-T410 HydrophobicContact CD1-CG2 4.46Å; L406-T410 PolarHBondContact N-O 2.98Å; L406-N412 HydrophobicContact CD1-CB 4.44Å; L406-N412 HydrophobicContact CD2-CB 4.36Å; L406-N412 HydrophobicContact CG-CB 4.2Å
407	N	91	Very high	88.9	Confident	51 Å²	51	44.3 Å²	44.3	27%	0.273	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.7	178.3	-172.3	38.7	0	0	0	113.4	E260 R261 H396 G409	E260-N407 PolarHBondContact OE1-ND2 3.02Å; R261-N407 PolarHBondContact NH1-O 3.24Å; R261-N407 PolarHBondContact NH1-OD1 2.77Å; R261-N407 VanDerWaalsContact NH1-OD1 3.1Å; H396-N407 PolarHBondContact CD2-N 2.99Å; H396-N407 VanDerWaalsContact CD2-N 3.35Å; H396-N407 PolarHBondContact NE2-N 3.36Å; N407-G409 VanDerWaalsContact C-N 3.32Å
408	D	91.4	Very high	89.3	Confident	47 Å²	47	47.8 Å²	47.8	25%	0.251	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.6	169.2	73.9	-12.5	0	0	0	113	R377 L406 T410	R377-D408 WeakPolarHBondContact CA-O 3.35Å; R377-D408 HydrophobicContact CG-CB 4.42Å; R377-D408 IonicContact CZ-OD2 2.75Å; R377-D408 IonicContact NE-OD2 2.99Å; R377-D408 PolarHBondContact NE-OD2 3.28Å; R377-D408 IonicContact NH2-OD2 2.63Å; L406-D408 WeakPolarHBondContact CB-OD1 3.31Å; L406-D408 PolarHBondContact O-N 3.45Å; L406-D408 VanDerWaalsContact O-N 3.13Å; D408-T410 VanDerWaalsContact CG-OG1 3.24Å; D408-T410 WeakPolarHBondContact OD1-CB 3.22Å; D408-T410 PolarHBondContact OD1-N 2.96Å; D408-T410 PolarHBondContact OD1-OG1 2.84Å; D408-T410 PolarHBondContact OD2-OG1 2.94Å; D408-T410 VanDerWaalsContact OD2-OG1 3.11Å
409	G	91.9	Very high	89.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	98.7	-8.6	-176.6	0	0	0	0	0	115	C376 W386 L406 N407 L411	C376-G409 WeakPolarHBondContact O-CA 3.37Å; W386-G409 PolarHBondContact NE1-O 3.5Å; L406-G409 WeakPolarHBondContact O-CA 3.27Å; L406-G409 PolarHBondContact O-N 3.3Å; N407-G409 VanDerWaalsContact C-N 3.32Å; G409-L411 PolarHBondContact O-N 2.96Å
410	T	94.4	Very high	90.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.			trans	-64.5	132.1	179.4	-56.9	0	0	0	0	111	E373 L374 K375 V405 L406 D408	E373-T410 HydrophobicContact CB-CG2 3.97Å; E373-T410 HydrophobicContact CG-CG2 4.44Å; L374-T410 WeakPolarHBondContact O-CA 3.44Å; L374-T410 WeakPolarHBondContact O-CG2 3.31Å; K375-T410 HydrophobicContact CD-CG2 3.9Å; V405-T410 WeakPolarHBondContact CA-O 3.35Å; L406-T410 HydrophobicContact CD1-CG2 4.46Å; L406-T410 PolarHBondContact N-O 2.98Å; D408-T410 VanDerWaalsContact CG-OG1 3.24Å; D408-T410 WeakPolarHBondContact OD1-CB 3.22Å; D408-T410 PolarHBondContact OD1-N 2.96Å; D408-T410 PolarHBondContact OD1-OG1 2.84Å; D408-T410 PolarHBondContact OD2-OG1 2.94Å; D408-T410 VanDerWaalsContact OD2-OG1 3.11Å
411	L	94.9	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.3	169.1	-177.8	66.8	0	0	0	109.1	E373 L374 W386 I394 V405 G409 F413 Y424	E373-L411 WeakPolarHBondContact CA-O 3.45Å; L374-L411 HydrophobicContact CB-CB 4.38Å; L374-L411 HydrophobicContact CD1-CD2 4.46Å; L374-L411 PolarHBondContact N-O 2.93Å; L374-L411 PolarHBondContact O-N 3.05Å; W386-L411 HydrophobicContact CB-CD2 4.43Å; W386-L411 HydrophobicContact CD2-CB 3.82Å; W386-L411 HydrophobicContact CD2-CD2 3.98Å; W386-L411 HydrophobicContact CD2-CG 4.42Å; W386-L411 HydrophobicContact CE3-CB 4.4Å; W386-L411 HydrophobicContact CE3-CD2 3.97Å; W386-L411 HydrophobicContact CG-CB 4.11Å; W386-L411 HydrophobicContact CG-CD1 4.37Å; W386-L411 HydrophobicContact CG-CD2 4.21Å; W386-L411 HydrophobicContact CG-CG 4.48Å; W386-L411 HydrophobicContact CH2-CB 4.39Å; W386-L411 HydrophobicContact CZ2-CB 3.84Å; W386-L411 HydrophobicContact CZ3-CD2 4.49Å; I394-L411 HydrophobicContact CD1-CD1 4.47Å; V405-L411 HydrophobicContact CG2-CD1 3.81Å; G409-L411 PolarHBondContact O-N 2.96Å; L411-F413 HydrophobicContact CD2-CE2 3.67Å; L411-F413 HydrophobicContact CD2-CZ 3.69Å; L411-F413 HydrophobicContact CG-CD2 4.44Å; L411-F413 HydrophobicContact CG-CE2 3.72Å; L411-F413 HydrophobicContact CG-CZ 4.13Å; L411-Y424 HydrophobicContact CD2-CD1 3.59Å; L411-Y424 HydrophobicContact CD2-CE1 4.01Å; L411-Y424 HydrophobicContact CD2-CG 4.36Å
412	N	94.8	Very high	92.3	Very high	36 Å²	36	39.7 Å²	39.7	19%	0.193	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.3	-177.3	-175.5	22.2	0	0	0	111	L403 S404 L406	L403-N412 WeakPolarHBondContact CA-O 3.37Å; S404-N412 PolarHBondContact N-O 3.36Å; S404-N412 PolarHBondContact O-N 3.25Å; L406-N412 HydrophobicContact CD1-CB 4.44Å; L406-N412 HydrophobicContact CD2-CB 4.36Å; L406-N412 HydrophobicContact CG-CB 4.2Å
413	F	94.3	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.8	175	-63	-104.9	0	0	0	108.9	G371 A372 L374 R402 L403 L411 V416 D420 Y424 L441	G371-F413 WeakPolarHBondContact CA-O 3.34Å; A372-F413 HydrophobicContact CB-CB 4.11Å; A372-F413 HydrophobicContact CB-CD2 4.16Å; A372-F413 HydrophobicContact CB-CG 4.36Å; A372-F413 PolarHBondContact N-O 3.47Å; A372-F413 VanDerWaalsContact N-O 3.13Å; A372-F413 WeakPolarHBondContact O-CD2 3.36Å; A372-F413 PolarHBondContact O-N 3.36Å; L374-F413 HydrophobicContact CD1-CE2 4.34Å; L374-F413 HydrophobicContact CG-CE2 4.46Å; R402-F413 WeakPolarHBondContact O-CA 3.1Å; L403-F413 HydrophobicContact CD1-CD1 4.29Å; L403-F413 HydrophobicContact CD1-CE1 4.33Å; L403-F413 HydrophobicContact CD2-CD1 4.03Å; L403-F413 HydrophobicContact CD2-CE1 3.4Å; L403-F413 HydrophobicContact CD2-CZ 3.89Å; L403-F413 HydrophobicContact CG-CD1 3.71Å; L403-F413 HydrophobicContact CG-CE1 3.64Å; L403-F413 HydrophobicContact CG-CZ 4.41Å; L411-F413 HydrophobicContact CD2-CE2 3.67Å; L411-F413 HydrophobicContact CD2-CZ 3.69Å; L411-F413 HydrophobicContact CG-CD2 4.44Å; L411-F413 HydrophobicContact CG-CE2 3.72Å; L411-F413 HydrophobicContact CG-CZ 4.13Å; F413-V416 HydrophobicContact CB-CG1 3.76Å; F413-V416 HydrophobicContact CD1-CG1 4.12Å; F413-V416 HydrophobicContact CG-CG1 4.03Å; F413-D420 HydrophobicContact CE1-CB 4.4Å; F413-Y424 HydrophobicContact CE1-CE1 4.34Å; F413-Y424 HydrophobicContact CZ-CD1 4.39Å; F413-Y424 AromaticContact CZ-CE1 3.77Å; F413-Y424 HydrophobicContact CZ-CE1 3.77Å; F413-Y424 HydrophobicContact CZ-CE2 4.35Å; F413-Y424 AromaticContact CZ-CZ 3.75Å; F413-L441 HydrophobicContact CE1-CD2 4.08Å; F413-L441 HydrophobicContact CE2-CD2 4.29Å; F413-L441 HydrophobicContact CZ-CD2 3.9Å
414	T	92.2	Very high	93.1	Very high	84 Å²	84	39.2 Å²	39.2	52%	0.515	22%	0.222	S	C	.	.	S	Bend	trans	-73.9	-38.3	175.1	55	0	0	0	0	112	R402	R402-T414 WeakPolarHBondContact CA-OG1 3.42Å; R402-T414 PolarHBondContact O-N 3.44Å; R402-T414 PolarHBondContact O-OG1 2.96Å
415	S	91.6	Very high	93.3	Very high	42 Å²	42	38.5 Å²	38.5	29%	0.294	22%	0.216	S	C	.	.	S	Bend	trans	-148.9	124.8	170.4	59	0	0	0	0	110.7	R402	R402-S415 PolarHBondContact NH1-O 3.01Å
416	V	92.8	Very high	93.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.213	C	C	.	.			trans	-84.5	145.2	176.9	-58.9	0	0	0	0	111.6	V366 T367 G369 M370 A372 F413 V443	V366-V416 HydrophobicContact CB-CG2 4.23Å; V366-V416 HydrophobicContact CG1-CG2 3.78Å; T367-V416 WeakPolarHBondContact O-CG2 3.38Å; G369-V416 PolarHBondContact N-O 3.26Å; M370-V416 WeakPolarHBondContact O-CG2 3.48Å; M370-V416 PolarHBondContact O-N 3.45Å; A372-V416 HydrophobicContact CB-CG1 3.57Å; F413-V416 HydrophobicContact CB-CG1 3.76Å; F413-V416 HydrophobicContact CD1-CG1 4.12Å; F413-V416 HydrophobicContact CG-CG1 4.03Å; V416-V443 HydrophobicContact CB-CG2 4.21Å; V416-V443 HydrophobicContact CG2-CG1 3.99Å; V416-V443 HydrophobicContact CG2-CG2 4.3Å
417	T	92.3	Very high	93.7	Very high	35 Å²	35	37.9 Å²	37.9	22%	0.215	21%	0.211	C	C	.	.			trans	-121.9	158.5	176.2	64.2	0	0	0	0	110	Q419 D420	T417-Q419 PolarHBondContact O-N 3.49Å; T417-D420 PolarHBondContact N-OD2 3.49Å; T417-D420 WeakPolarHBondContact O-CB 3.36Å; T417-D420 PolarHBondContact O-N 3Å; T417-D420 PolarHBondContact OG1-OD2 2.68Å
418	M	90.4	Very high	93.8	Very high	83 Å²	83	35.6 Å²	35.6	41%	0.409	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-55.2	-29.2	178.1	-67.7	-61.3	-65.6	0	0	113.4	D420 T421 V443 A445	M418-D420 VanDerWaalsContact C-N 3.27Å; M418-D420 PolarHBondContact O-N 3.48Å; M418-T421 PolarHBondContact O-N 3.17Å; M418-T421 PolarHBondContact O-OG1 3.04Å; M418-T421 VanDerWaalsContact O-OG1 3.08Å; M418-V443 VanDerWaalsContact CE-O 3.26Å; M418-V443 WeakPolarHBondContact CE-O 3.4Å; M418-V443 HydrophobicContact SD-CB 4.24Å; M418-V443 HydrophobicContact SD-CG1 3.89Å; M418-A445 HydrophobicContact CE-CB 4.5Å; M418-A445 HydrophobicContact SD-CB 4.16Å; M418-A445 PolarHBondContact SD-N 3.5Å
419	Q	90.5	Very high	93.9	Very high	172 Å²	172	34.5 Å²	34.5	80%	0.804	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-72.2	-17.1	178	-63.9	-178.9	-2.1	0	0	113.9	T417 T421	T417-Q419 PolarHBondContact O-N 3.49Å; Q419-T421 PolarHBondContact O-N 2.96Å
420	D	92.1	Very high	94	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.08	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-80.6	-4.5	179.9	-58.1	-45.4	0	0	0	111.9	R402 F413 T417 M418 G422 Y424 L441	R402-D420 IonicContact CZ-OD1 3.76Å; R402-D420 IonicContact CZ-OD2 3.53Å; R402-D420 IonicContact NH1-OD1 3.62Å; R402-D420 IonicContact NH1-OD2 2.74Å; R402-D420 PolarHBondContact NH1-OD2 2.96Å; R402-D420 IonicContact NH2-OD1 2.92Å; R402-D420 PolarHBondContact NH2-OD1 3.44Å; R402-D420 IonicContact NH2-OD2 3.39Å; R402-D420 PolarHBondContact NH2-OD2 3.05Å; F413-D420 HydrophobicContact CE1-CB 4.4Å; T417-D420 PolarHBondContact N-OD2 3.49Å; T417-D420 WeakPolarHBondContact O-CB 3.36Å; T417-D420 PolarHBondContact O-N 3Å; T417-D420 PolarHBondContact OG1-OD2 2.68Å; M418-D420 VanDerWaalsContact C-N 3.27Å; M418-D420 PolarHBondContact O-N 3.48Å; D420-G422 PolarHBondContact O-N 3.32Å; D420-Y424 WeakPolarHBondContact O-CE2 3.46Å; D420-Y424 PolarHBondContact O-OH 2.96Å; D420-L441 HydrophobicContact CB-CD2 4.4Å
421	T	94.3	Very high	93.8	Very high	54 Å²	54	36.4 Å²	36.4	33%	0.331	21%	0.206	S	C	.	.			trans	-62.4	129.9	177.6	-61	0	0	0	0	111.6	M418 Q419 L441 V443	M418-T421 PolarHBondContact O-N 3.17Å; M418-T421 PolarHBondContact O-OG1 3.04Å; M418-T421 VanDerWaalsContact O-OG1 3.08Å; Q419-T421 PolarHBondContact O-N 2.96Å; T421-L441 WeakPolarHBondContact CA-O 3.32Å; T421-V443 WeakPolarHBondContact OG1-CB 3.05Å; T421-V443 PolarHBondContact OG1-N 3.45Å
422	G	95.4	Very high	93.6	Very high	17 Å²	17	38.3 Å²	38.3	18%	0.175	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.3	-171.6	174.4	0	0	0	0	0	113.6	D420 Y424 L441	D420-G422 PolarHBondContact O-N 3.32Å; G422-Y424 WeakPolarHBondContact O-CD2 3.45Å; G422-L441 PolarHBondContact N-O 2.7Å; G422-L441 PolarHBondContact O-N 2.72Å
423	T	97	Very high	93.4	Very high	73 Å²	73	37.4 Å²	37.4	45%	0.448	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.2	179.2	-50.4	0	0	0	0	111.4	P389	P389-T423 WeakPolarHBondContact CG-O 3.41Å
424	Y	96.9	Very high	93.4	Very high	6 Å²	6	43.8 Å²	43.8	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.4	172.1	-69.6	-98.7	0	0	0	109.2	L374 L387 T388 P389 L403 L411 F413 D420 G422 S438 A439 L441	L374-Y424 HydrophobicContact CD1-CD2 4.02Å; L374-Y424 HydrophobicContact CD1-CG 3.9Å; L387-Y424 WeakPolarHBondContact O-CA 3.43Å; T388-Y424 HydrophobicContact CG2-CD1 4.43Å; T388-Y424 HydrophobicContact CG2-CE1 4.05Å; P389-Y424 HydrophobicContact CG-CD2 4.15Å; P389-Y424 HydrophobicContact CG-CE1 4.48Å; P389-Y424 HydrophobicContact CG-CE2 3.77Å; L403-Y424 HydrophobicContact CD2-CE1 4.44Å; L411-Y424 HydrophobicContact CD2-CD1 3.59Å; L411-Y424 HydrophobicContact CD2-CE1 4.01Å; L411-Y424 HydrophobicContact CD2-CG 4.36Å; F413-Y424 HydrophobicContact CE1-CE1 4.34Å; F413-Y424 HydrophobicContact CZ-CD1 4.39Å; F413-Y424 AromaticContact CZ-CE1 3.77Å; F413-Y424 HydrophobicContact CZ-CE1 3.77Å; F413-Y424 HydrophobicContact CZ-CE2 4.35Å; F413-Y424 AromaticContact CZ-CZ 3.75Å; D420-Y424 WeakPolarHBondContact O-CE2 3.46Å; D420-Y424 PolarHBondContact O-OH 2.96Å; G422-Y424 WeakPolarHBondContact O-CD2 3.45Å; Y424-S438 CarbonylContact O-C 3.39Å; Y424-S438 VanDerWaalsContact O-CA 3.26Å; Y424-S438 WeakPolarHBondContact O-CA 3.44Å; Y424-A439 PolarHBondContact N-O 3.06Å; Y424-A439 PolarHBondContact O-N 3.41Å; Y424-L441 HydrophobicContact CD2-CB 3.98Å; Y424-L441 HydrophobicContact CE2-CB 3.81Å; Y424-L441 HydrophobicContact CE2-CD2 3.99Å
425	T	97.1	Very high	93.5	Very high	24 Å²	24	42.6 Å²	42.6	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.1	179.7	-57.1	0	0	0	0	110	W386 L387 M427 T436 A437 S438	W386-T425 WeakPolarHBondContact CA-O 3.01Å; L387-T425 PolarHBondContact N-O 3.36Å; L387-T425 PolarHBondContact O-N 3.08Å; T425-M427 HydrophobicContact CG2-CG 4.15Å; T425-T436 HydrophobicContact CG2-CG2 4.48Å; T425-A437 CarbonylContact C-O 3.11Å; T425-S438 WeakPolarHBondContact CB-OG 3.33Å; T425-S438 VanDerWaalsContact CG2-OG 3.31Å; T425-S438 WeakPolarHBondContact CG2-OG 3.43Å; T425-S438 PolarHBondContact OG1-OG 3.25Å
426	C	96.9	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.3	168.8	-175.1	0	0	0	0	109	C376 W386 T436 A437	C376-C426 HydrophobicContact CB-CB 3.74Å; C376-C426 WeakPolarHBondContact CB-SG 3.49Å; C376-C426 WeakPolarHBondContact SG-CB 3.44Å; C376-C426 CovalentContact SG-SG 2.03Å; C376-C426 PolarHBondContact SG-SG 3.12Å; W386-C426 HydrophobicContact CD2-CB 4.08Å; W386-C426 HydrophobicContact CE3-CB 4.12Å; W386-C426 HydrophobicContact CH2-CB 3.88Å; W386-C426 HydrophobicContact CZ2-CB 3.8Å; W386-C426 HydrophobicContact CZ3-CB 4.01Å; C426-T436 CarbonylContact O-C 3.59Å; C426-T436 WeakPolarHBondContact O-CA 3.48Å; C426-A437 PolarHBondContact N-O 2.84Å; C426-A437 PolarHBondContact O-N 3.33Å
427	M	94.8	Very high	93.9	Very high	56 Å²	56	45.6 Å²	45.6	28%	0.276	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.4	178.1	-53.2	-174	-61.2	0	0	108.6	S385 L387 L393 T425 T436	S385-M427 PolarHBondContact N-O 3.23Å; S385-M427 PolarHBondContact O-N 2.89Å; S385-M427 WeakPolarHBondContact OG-CE 3.49Å; L387-M427 HydrophobicContact CB-CE 4.3Å; L387-M427 HydrophobicContact CB-SD 4.47Å; L393-M427 HydrophobicContact CD1-CE 3.19Å; T425-M427 HydrophobicContact CG2-CG 4.15Å; M427-T436 HydrophobicContact CB-CG2 4.12Å; M427-T436 HydrophobicContact CG-CG2 3.79Å
428	V	95.1	Very high	94.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.5	-178.5	-175.9	0	0	0	0	108.8	P355 I357 T378 T382 S383 I384 N434 I435	P355-V428 HydrophobicContact CB-CG1 3.81Å; P355-V428 HydrophobicContact CG-CG1 4.08Å; I357-V428 HydrophobicContact CD1-CG2 4.19Å; I357-V428 HydrophobicContact CG1-CG2 4.04Å; T378-V428 HydrophobicContact CG2-CG1 3.95Å; T378-V428 HydrophobicContact CG2-CG2 4.14Å; T382-V428 HydrophobicContact CG2-CG1 4.28Å; T382-V428 WeakPolarHBondContact OG1-CG1 3.41Å; S383-V428 WeakPolarHBondContact O-CA 3.47Å; I384-V428 HydrophobicContact CG1-CG2 4.39Å; V428-N434 WeakPolarHBondContact O-CA 3.03Å; V428-I435 HydrophobicContact CB-CG2 3.88Å; V428-I435 PolarHBondContact N-O 3.05Å; V428-I435 PolarHBondContact O-N 3.33Å
429	S	93.5	Very high	94.4	Very high	25 Å²	25	43.2 Å²	43.2	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.2	178.2	60.7	0	0	0	0	112.6	T382 S383 G433	T382-S429 CarbonylContact C-O 3.58Å; T382-S429 WeakPolarHBondContact CA-O 3.27Å; T382-S429 WeakPolarHBondContact CB-O 3.14Å; S383-S429 PolarHBondContact N-O 3.43Å; S383-S429 PolarHBondContact O-N 3.4Å; S429-G433 WeakPolarHBondContact CA-O 3.44Å
430	N	92.7	Very high	94.7	Very high	21 Å²	21	38 Å²	38	11%	0.112	24%	0.236	C	C	.	.			trans	-139.9	-171.4	169.4	75.5	-5.6	0	0	0	109.4	H285 D353 P355 T382 A432 G433	H285-N430 VanDerWaalsContact NE2-C 3.25Å; D353-N430 PolarHBondContact O-ND2 3.43Å; P355-N430 HydrophobicContact CB-CB 4.42Å; P355-N430 WeakPolarHBondContact CD-OD1 3.49Å; P355-N430 HydrophobicContact CG-CB 4.07Å; T382-N430 HydrophobicContact CG2-CB 4.29Å; N430-A432 PolarHBondContact O-N 2.99Å; N430-A432 WeakPolarHBondContact OD1-CA 3.41Å; N430-A432 WeakPolarHBondContact OD1-CB 3.39Å; N430-A432 PolarHBondContact OD1-N 2.9Å; N430-G433 PolarHBondContact N-O 2.74Å; N430-G433 PolarHBondContact O-N 3.25Å; N430-G433 PolarHBondContact OD1-N 2.88Å; N430-G433 PolarHBondContact OD1-O 3.37Å
431	T	90.2	Very high	94.9	Very high	19 Å²	19	37.2 Å²	37.2	12%	0.117	23%	0.232	C	C	.	.	S	Bend	trans	-65.2	-19.3	179.5	45.8	0	0	0	0	114.5	H285 C308 L311 W312 W315	H285-T431 PolarHBondContact NE2-N 3.04Å; C308-T431 PolarHBondContact O-OG1 2.97Å; L311-T431 HydrophobicContact CB-CG2 3.93Å; W312-T431 HydrophobicContact CB-CG2 3.69Å; W312-T431 HydrophobicContact CG-CG2 4.4Å; W315-T431 HydrophobicContact CZ3-CG2 4.32Å
432	A	90.3	Very high	95	Very high	39 Å²	39	37.9 Å²	37.9	32%	0.322	23%	0.234	S	C	.	.	S	Bend	trans	-94.3	-26.1	-179.1	0	0	0	0	0	113.1	C352 D353 N430	C352-A432 HydrophobicContact CB-CB 3.94Å; D353-A432 VanDerWaalsContact C-CB 3.42Å; D353-A432 VanDerWaalsContact O-CB 3.24Å; D353-A432 WeakPolarHBondContact O-CB 3.4Å; N430-A432 PolarHBondContact O-N 2.99Å; N430-A432 WeakPolarHBondContact OD1-CA 3.41Å; N430-A432 WeakPolarHBondContact OD1-CB 3.39Å; N430-A432 PolarHBondContact OD1-N 2.9Å
433	G	90.9	Very high	94.9	Very high	17 Å²	17	37.2 Å²	37.2	18%	0.175	23%	0.226	C	C	.	.			trans	160.4	-161.9	176.5	0	0	0	0	0	114.2	P355 S429 N430	P355-G433 WeakPolarHBondContact CD-O 3.36Å; S429-G433 WeakPolarHBondContact CA-O 3.44Å; N430-G433 PolarHBondContact N-O 2.74Å; N430-G433 PolarHBondContact O-N 3.25Å; N430-G433 PolarHBondContact OD1-N 2.88Å; N430-G433 PolarHBondContact OD1-O 3.37Å
434	N	93.9	Very high	94.6	Very high	134 Å²	134	36.8 Å²	36.8	72%	0.717	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.8	-167.3	-46	6.3	0	0	0	109	V428	V428-N434 WeakPolarHBondContact O-CA 3.03Å
435	I	94.7	Very high	94	Very high	59 Å²	59	39.1 Å²	39.1	30%	0.303	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.6	172.3	-170.1	168	0	0	0	109.2	P355 I357 V428	P355-I435 HydrophobicContact CB-CG2 4.29Å; P355-I435 HydrophobicContact CG-CG2 4.02Å; P355-I435 WeakPolarHBondContact O-CG2 3.03Å; I357-I435 HydrophobicContact CD1-CG1 4.36Å; I357-I435 HydrophobicContact CD1-CG2 4.02Å; I357-I435 HydrophobicContact CG1-CG2 3.92Å; V428-I435 HydrophobicContact CB-CG2 3.88Å; V428-I435 PolarHBondContact N-O 3.05Å; V428-I435 PolarHBondContact O-N 3.33Å
436	T	95.9	Very high	93	Very high	87 Å²	87	42.6 Å²	42.6	53%	0.534	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.7	178	62.1	0	0	0	0	111.1	T425 C426 M427	T425-T436 HydrophobicContact CG2-CG2 4.48Å; C426-T436 CarbonylContact O-C 3.59Å; C426-T436 WeakPolarHBondContact O-CA 3.48Å; M427-T436 HydrophobicContact CB-CG2 4.12Å; M427-T436 HydrophobicContact CG-CG2 3.79Å
437	A	96.5	Very high	91.4	Very high	20 Å²	20	50 Å²	50	17%	0.165	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138	170.9	0	0	0	0	0	109.2	I357 P360 P361 T425 C426	I357-A437 HydrophobicContact CD1-CB 3.64Å; P360-A437 HydrophobicContact CB-CB 4.34Å; P361-A437 HydrophobicContact CG-CB 4.13Å; T425-A437 CarbonylContact C-O 3.11Å; C426-A437 PolarHBondContact N-O 2.84Å; C426-A437 PolarHBondContact O-N 3.33Å
438	S	97.1	Very high	89.5	Confident	66 Å²	66	54.9 Å²	54.9	46%	0.462	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.2	-174.6	-54.8	0	0	0	0	111.1	Y424 T425	Y424-S438 CarbonylContact O-C 3.39Å; Y424-S438 VanDerWaalsContact O-CA 3.26Å; Y424-S438 WeakPolarHBondContact O-CA 3.44Å; T425-S438 WeakPolarHBondContact CB-OG 3.33Å; T425-S438 VanDerWaalsContact CG2-OG 3.31Å; T425-S438 WeakPolarHBondContact CG2-OG 3.43Å; T425-S438 PolarHBondContact OG1-OG 3.25Å
439	A	97.3	Very high	87.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.9	171.7	0	0	0	0	0	110.6	P361 D363 Y424	P361-A439 HydrophobicContact CB-CB 3.67Å; P361-A439 HydrophobicContact CG-CB 4.13Å; D363-A439 WeakPolarHBondContact OD1-CA 3.26Å; Y424-A439 PolarHBondContact N-O 3.06Å; Y424-A439 PolarHBondContact O-N 3.41Å
440	V	96.8	Very high	85.2	Confident	62 Å²	62	62.7 Å²	62.7	38%	0.376	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.5	177.5	-175.1	0	0	0	0	109.6	D363 L364	D363-V440 WeakPolarHBondContact CA-O 3.48Å; D363-V440 PolarHBondContact OD1-N 3.07Å; L364-V440 PolarHBondContact N-O 2.93Å
441	L	96.2	Very high	83.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.8	168.2	-179.1	68	0	0	0	108.4	L364 V366 A372 F413 D420 T421 G422 Y424 V443	L364-L441 HydrophobicContact CB-CD1 4.17Å; L364-L441 HydrophobicContact CD2-CD1 4.17Å; L364-L441 HydrophobicContact CG-CD1 4.43Å; V366-L441 HydrophobicContact CG2-CD1 4.04Å; A372-L441 HydrophobicContact CB-CD1 4.46Å; F413-L441 HydrophobicContact CE1-CD2 4.08Å; F413-L441 HydrophobicContact CE2-CD2 4.29Å; F413-L441 HydrophobicContact CZ-CD2 3.9Å; D420-L441 HydrophobicContact CB-CD2 4.4Å; T421-L441 WeakPolarHBondContact CA-O 3.32Å; G422-L441 PolarHBondContact N-O 2.7Å; G422-L441 PolarHBondContact O-N 2.72Å; Y424-L441 HydrophobicContact CD2-CB 3.98Å; Y424-L441 HydrophobicContact CE2-CB 3.81Å; Y424-L441 HydrophobicContact CE2-CD2 3.99Å; L441-V443 HydrophobicContact CD2-CG2 4.38Å; L441-V443 HydrophobicContact CG-CG2 4.25Å
442	N	95.1	Very high	80.8	Confident	67 Å²	67	70.2 Å²	70.2	36%	0.358	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.3	176.9	-169.2	20.1	0	0	0	110.1	L364 N365 V366	L364-N442 PolarHBondContact O-N 3.23Å; N365-N442 WeakPolarHBondContact CA-O 3.34Å; N365-N442 WeakPolarHBondContact OD1-CB 3.4Å; V366-N442 PolarHBondContact N-O 2.83Å
443	V	93.9	Very high	78.6	Confident	4 Å²	4	78.9 Å²	78.9	2%	0.024	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.6	-179.3	-171.9	0	0	0	0	110	V366 E368 V416 M418 T421 L441	V366-V443 CarbonylContact O-C 3.59Å; V366-V443 VanDerWaalsContact O-CA 3.23Å; V366-V443 WeakPolarHBondContact O-CA 3.18Å; E368-V443 HydrophobicContact CB-CG1 4.21Å; V416-V443 HydrophobicContact CB-CG2 4.21Å; V416-V443 HydrophobicContact CG2-CG1 3.99Å; V416-V443 HydrophobicContact CG2-CG2 4.3Å; M418-V443 VanDerWaalsContact CE-O 3.26Å; M418-V443 WeakPolarHBondContact CE-O 3.4Å; M418-V443 HydrophobicContact SD-CB 4.24Å; M418-V443 HydrophobicContact SD-CG1 3.89Å; T421-V443 WeakPolarHBondContact OG1-CB 3.05Å; T421-V443 PolarHBondContact OG1-N 3.45Å; L441-V443 HydrophobicContact CD2-CG2 4.38Å; L441-V443 HydrophobicContact CG-CG2 4.25Å
444	T	91.4	Very high	76.4	Confident	64 Å²	64	86.3 Å²	86.3	39%	0.393	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.8	175.9	53.2	0	0	0	0	110.9	V366 T367 E368	V366-T444 PolarHBondContact O-N 3.1Å; T367-T444 CarbonylContact C-O 3.37Å; T367-T444 WeakPolarHBondContact CA-O 3.39Å; T367-T444 WeakPolarHBondContact CG2-OG1 3.42Å; E368-T444 PolarHBondContact N-O 3.18Å
445	A	83.4	Confident	73.8	Confident	55 Å²	55	85.9 Å²	85.9	46%	0.455	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-67.6	147.4	175.3	0	0	0	0	0	110.1	M418 E447	M418-A445 HydrophobicContact CE-CB 4.5Å; M418-A445 HydrophobicContact SD-CB 4.16Å; M418-A445 PolarHBondContact SD-N 3.5Å; A445-E447 PolarHBondContact O-N 3.14Å
446	V	75.7	Confident	71.3	Confident	97 Å²	97	89.1 Å²	89.1	59%	0.588	51%	0.513	S	S	*	.			trans	-69	102.2	165.8	-176.4	0	0	0	0	106.7	N448	V446-N448 PolarHBondContact O-N 3.1Å
447	E	63.5	Low	68.7	Low	155 Å²	155	90.2 Å²	90.2	72%	0.724	52%	0.519	S	S	*	.			trans	-62.2	103.9	172	-76.6	-171.6	-178.3	0	0	108.8	A445 N449	A445-E447 PolarHBondContact O-N 3.14Å; E447-N449 PolarHBondContact O-N 3.13Å; E447-N449 PolarHBondContact OE2-ND2 2.6Å
448	N	55.5	Low	65.9	Low	159 Å²	159	95.4 Å²	95.4	85%	0.85	55%	0.549	S	S	*	.			trans	-77.5	52.2	168.1	-153	25.9	0	0	0	109.5	V446	V446-N448 PolarHBondContact O-N 3.1Å
449	N	47.2	Very low	63.3	Low	104 Å²	104	97.3 Å²	97.3	56%	0.556	56%	0.557	S	S	*	*			trans	-69.5	134.2	154.4	-78.5	-30.3	0	0	0	105.3	E447 V451	E447-N449 PolarHBondContact O-N 3.13Å; E447-N449 PolarHBondContact OE2-ND2 2.6Å; N449-V451 HydrophobicContact CB-CG2 4.28Å; N449-V451 PolarHBondContact O-N 3.28Å
450	G	50.1	Low	60.5	Low	87 Å²	87	105.8 Å²	105.8	90%	0.897	60%	0.597	S	S	*	*			trans	-61.2	72.9	177.7	0	0	0	0	0	111.8	T452	G450-T452 PolarHBondContact O-N 3.35Å
451	V	51.7	Low	57.6	Low	109 Å²	109	108 Å²	108	66%	0.661	61%	0.61	S	S	*	*			trans	-92	101.1	172.3	-175	0	0	0	0	104.5	N449 Y453	N449-V451 HydrophobicContact CB-CG2 4.28Å; N449-V451 PolarHBondContact O-N 3.28Å; V451-Y453 PolarHBondContact O-N 2.9Å
452	T	40.4	Very low	54.9	Low	88 Å²	88	115.3 Å²	115.3	54%	0.54	65%	0.648	S	S	.	*			trans	-39.4	122.4	158.2	41.7	0	0	0	0	108.8	G450 F454	G450-T452 PolarHBondContact O-N 3.35Å; T452-F454 VanDerWaalsContact C-N 3.32Å; T452-F454 PolarHBondContact O-N 3.09Å; T452-F454 WeakPolarHBondContact OG1-CE2 3.42Å
453	Y	43.2	Very low	52	Low	221 Å²	221	120.4 Å²	120.4	87%	0.867	67%	0.67	S	S	*	*			trans	-55	99	168	-12.7	-90.5	0	0	0	107.6	V451	V451-Y453 PolarHBondContact O-N 2.9Å
454	F	44.6	Very low	49.2	Very low	173 Å²	173	125.6 Å²	125.6	76%	0.759	70%	0.702	S	S	*	*			trans	-88.6	99.8	154.9	-68.1	-74.6	0	0	0	105.1	T452 T456	T452-F454 VanDerWaalsContact C-N 3.32Å; T452-F454 PolarHBondContact O-N 3.09Å; T452-F454 WeakPolarHBondContact OG1-CE2 3.42Å; F454-T456 VanDerWaalsContact C-N 3.3Å; F454-T456 PolarHBondContact O-N 3.38Å
455	T	39.8	Very low	46.4	Very low	125 Å²	125	128.7 Å²	128.7	77%	0.767	72%	0.723	S	S	*	*			trans	-56.2	100.5	156.3	25.7	0	0	0	0	107.3	V457	T455-V457 PolarHBondContact O-N 3.01Å
456	T	42.4	Very low	44	Very low	128 Å²	128	132.4 Å²	132.4	79%	0.785	74%	0.74	S	S	*	*			trans	-68.6	92.3	159	37.1	0	0	0	0	106.7	F454 T458	F454-T456 VanDerWaalsContact C-N 3.3Å; F454-T456 PolarHBondContact O-N 3.38Å; T456-T458 PolarHBondContact O-N 3.23Å; T456-T458 VanDerWaalsContact O-N 3.09Å
457	V	40.2	Very low	42	Very low	110 Å²	110	135 Å²	135	67%	0.667	75%	0.75	S	S	*	*			trans	-64.5	106.6	160.6	-179.7	0	0	0	0	105.4	T455 V459	T455-V457 PolarHBondContact O-N 3.01Å; V457-V459 HydrophobicContact CG1-CG2 3.87Å; V457-V459 PolarHBondContact O-N 2.98Å
458	T	39.2	Very low	40.4	Very low	128 Å²	128	134.3 Å²	134.3	79%	0.785	75%	0.751	S	S	*	*			trans	-65.7	92.4	162.7	46.9	0	0	0	0	106.9	T456 E460	T456-T458 PolarHBondContact O-N 3.23Å; T456-T458 VanDerWaalsContact O-N 3.09Å; T458-E460 PolarHBondContact O-N 2.86Å
459	V	41.7	Very low	39.2	Very low	106 Å²	106	130.9 Å²	130.9	64%	0.642	74%	0.74	S	S	*	*			trans	-74.4	106.3	161.7	-179.3	0	0	0	0	105.3	V457 T461	V457-V459 HydrophobicContact CG1-CG2 3.87Å; V457-V459 PolarHBondContact O-N 2.98Å; V459-T461 HydrophobicContact CG1-CG2 3.99Å; V459-T461 PolarHBondContact O-N 3.03Å
460	E	38.1	Very low	38.3	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	76%	0.758	S	S	*	*			trans	-63.9	94.2	160.3	-78.6	-176.9	161	0	0	107.3	T458 I462	T458-E460 PolarHBondContact O-N 2.86Å; E460-I462 PolarHBondContact O-N 3.38Å
461	T	36	Very low	37.5	Very low	107 Å²	107	137.5 Å²	137.5	66%	0.656	75%	0.753	S	S	*	*			trans	-73.1	105.6	163.8	46.1	0	0	0	0	107.1	V459 E463	V459-T461 HydrophobicContact CG1-CG2 3.99Å; V459-T461 PolarHBondContact O-N 3.03Å; T461-E463 PolarHBondContact O-N 3.2Å
462	I	40.1	Very low	36.6	Very low	154 Å²	154	138.2 Å²	138.2	79%	0.79	76%	0.76	S	S	*	*			trans	-62.2	105.4	163.2	-63.6	170.5	0	0	0	106	E460 T464	E460-I462 PolarHBondContact O-N 3.38Å; I462-T464 PolarHBondContact O-N 3.13Å; I462-T464 VanDerWaalsContact O-N 3.14Å
463	E	33.5	Very low	36	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	77%	0.774	S	S	*	*			trans	-64.6	111.2	168.9	-70.6	-176.1	165.3	0	0	108.2	T461	T461-E463 PolarHBondContact O-N 3.2Å
464	T	34.7	Very low	36.1	Very low	114 Å²	114	136.3 Å²	136.3	70%	0.699	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.9	131.5	160.6	47	0	0	0	0	108.5	I462 V466	I462-T464 PolarHBondContact O-N 3.13Å; I462-T464 VanDerWaalsContact O-N 3.14Å; T464-V466 PolarHBondContact O-N 3.29Å
465	P	34.1	Very low	36	Very low	128 Å²	128	133 Å²	133	83%	0.831	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.6	125.2	175.8	27.2	-30.2	0	0	0	109.2
466	V	31.9	Very low	35.6	Very low	134 Å²	134	138.6 Å²	138.6	81%	0.812	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-73.5	126.5	172	172.2	0	0	0	0	109	T464	T464-V466 PolarHBondContact O-N 3.29Å
467	D	33.4	Very low	34.9	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	76%	0.764	S	S	*	*			trans	-66.9	114.5	159.3	-177.2	23.2	0	0	0	109.1
468	D	30.9	Very low	34.3	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	78%	0.777	S	S	*	*			trans	-155.1	111.7	143.6	-138.8	-19.6	0	0	0	113
469	S	29.6	Very low	34	Very low	86 Å²	86	142.2 Å²	142.2	60%	0.601	78%	0.777	S	S	*	*			trans	42.9	107.7	145.3	56.9	0	0	0	0	121.6
470	Q	29.6	Very low	34	Very low	200 Å²	200	141.7 Å²	141.7	94%	0.935	78%	0.777	S	S	*	*				-157.7	117.9	118.5	-104	167.1	38.1	0	0	111.1
471	T	31.5	Very low	33.5	Very low	131 Å²	131	138.2 Å²	138.2	80%	0.804	77%	0.772	S	S	*	*			trans	-62.1	162.9	167.3	32.6	0	0	0	0	111.7
472	P	33.7	Very low	33.1	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	78%	0.779	S	S	*	*			cis	-143.4	167.1	34.8	33.9	-9.7	0	0	0	119.1
473	L	28.8	Very low	32.5	Very low	160 Å²	160	136.6 Å²	136.6	84%	0.838	77%	0.774	S	S	*	*			trans	-48.6	177.4	167	-76.5	138.8	0	0	0	116.6
474	P	44.2	Very low	32.3	Very low	109 Å²	109	134 Å²	134	71%	0.708	77%	0.77	S	S	*	*			cis	-131.1	-146.6	-26.5	37.7	-15.8	0	0	0	109.3
475	P	43.4	Very low	32	Very low	103 Å²	103	138.4 Å²	138.4	67%	0.669	78%	0.78	S	S	*	*			cis	-133.6	163.5	-16	28.6	-4.9	0	0	0	116.8
476	Y	30.3	Very low	31.6	Very low	243 Å²	243	135.9 Å²	135.9	95%	0.953	78%	0.777	S	S	*	*			trans	37.1	128.2	143.2	-76.3	-94.8	0	0	0	122.3
477	G	28.3	Very low	31.4	Very low	62 Å²	62	137.7 Å²	137.7	64%	0.639	78%	0.782	S	S	*	*				136.8	116.9	126.5	0	0	0	0	0	118.7
478	W	27.4	Very low	31.6	Very low	250 Å²	250	135.4 Å²	135.4	95%	0.947	78%	0.775	S	S	*	*			trans	78.1	116.6	137.6	-75.3	41.9	0	0	0	121.2
479	V	32.6	Very low	31.4	Very low	130 Å²	130	135.2 Å²	135.2	79%	0.788	78%	0.778	S	S	*	*			trans	-81.9	141.4	146.3	175.8	0	0	0	0	105.8
480	P	41.9	Very low	31.2	Very low	96 Å²	96	138.9 Å²	138.9	62%	0.623	79%	0.79	S	S	*	*				-157.8	158.3	77.8	38	-14.1	0	0	0	120.5
481	S	28.2	Very low	31	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	78%	0.784	S	S	*	*			trans	54.4	128.2	135.5	-51.4	0	0	0	0	122.7
482	S	27.5	Very low	30.9	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	79%	0.791	S	S	*	*				153.4	164.2	117.7	54.6	0	0	0	0	110.6
483	T	27.2	Very low	30.5	Very low	113 Å²	113	141.8 Å²	141.8	69%	0.693	79%	0.792	S	S	*	*			cis	-178	129.6	-30.9	-66.1	0	0	0	0	105
484	T	28.4	Very low	30.6	Very low	119 Å²	119	140.9 Å²	140.9	73%	0.73	79%	0.793	S	S	*	*			trans	79.8	145.9	146.8	55.9	0	0	0	0	126.2
485	K	28.3	Very low	29.8	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.896	80%	0.804	S	S	*	*			trans	84.2	134.7	159.5	-51.7	-168.3	179.7	174	0	116.1
486	G	27.1	Very low	29.1	Very low	76 Å²	76	151.4 Å²	151.4	78%	0.784	81%	0.814	S	S	*	*			cis	-170.7	171.4	1.3	0	0	0	0	0	109.3
487	L	27.8	Very low	28.9	Very low	172 Å²	172	146.3 Å²	146.3	90%	0.901	81%	0.808	S	S	*	*			trans	-77.7	-176.3	-161.1	-138	83.6	0	0	0	115.3
488	P	37.1	Very low	28.8	Very low	104 Å²	104	153.6 Å²	153.6	68%	0.675	82%	0.818	S	S	*	*				-123.6	-176.1	-103.2	43.2	-25.1	0	0	0	113.6
489	V	26.1	Very low	28.9	Very low	135 Å²	135	148.3 Å²	148.3	82%	0.818	81%	0.813	S	S	*	*			trans	167	97.6	148	161.7	0	0	0	0	107.2
490	L	27.1	Very low	28.9	Very low	163 Å²	163	149.1 Å²	149.1	85%	0.853	81%	0.812	S	S	*	*				79.1	85.3	92.9	-152.6	92.4	0	0	0	115.4
491	T	24.8	Very low	28.2	Very low	132 Å²	132	150.1 Å²	150.1	81%	0.81	82%	0.818	S	S	*	*			trans	-142.4	98.9	152.7	46.6	0	0	0	0	111.3
492	R	28	Very low	28.5	Very low	252 Å²	252	152.5 Å²	152.5	95%	0.951	82%	0.821	S	S	*	*			trans	24.6	100.9	135.1	-154.4	173.6	-174.4	173.3	0.2	117
493	T	26.3	Very low	28.6	Very low	132 Å²	132	155 Å²	155	81%	0.81	82%	0.824	S	S	*	*			trans	-112.5	130.2	162.8	44	0	0	0	0	110.6
494	T	30	Very low	29.1	Very low	141 Å²	141	156.9 Å²	156.9	87%	0.865	83%	0.83	S	S	*	*			trans	-59	132.2	165.2	41	0	0	0	0	111.1
495	E	28.2	Very low	29.2	Very low	198 Å²	198	154.5 Å²	154.5	93%	0.925	83%	0.829	S	S	*	*			trans	-64.4	133.9	177.9	-71.1	174.3	150.3	0	0	112
496	R	29.3	Very low	29.3	Very low	235 Å²	235	152.8 Å²	152.8	89%	0.887	83%	0.83	S	S	*	*			trans	-114.2	146.2	155.9	-100.3	-174.9	178.8	177.4	-0.6	109
497	T	24.6	Very low	30.2	Very low	135 Å²	135	153 Å²	153	83%	0.828	83%	0.832	S	S	*	*			trans	-41.5	133.7	-177.4	-34	0	0	0	0	116
498	Y	27.7	Very low	30.9	Very low	216 Å²	216	154.5 Å²	154.5	85%	0.847	83%	0.834	S	S	*	*			trans	-90.3	135	166	-84.6	-90.7	0	0	0	111
499	T	28.1	Very low	31.2	Very low	138 Å²	138	152.9 Å²	152.9	85%	0.847	84%	0.837	S	S	*	*			trans	-106.9	128.8	162.1	-31.4	0	0	0	0	107.6
500	I	33.3	Very low	31.9	Very low	148 Å²	148	150.3 Å²	150.3	76%	0.759	83%	0.829	S	S	*	*			trans	-106.7	137.1	175.2	-62.7	176.7	0	0	0	108.9
501	P	28.1	Very low	32.8	Very low	116 Å²	116	149.7 Å²	149.7	75%	0.753	83%	0.826	S	S	*	*			trans	-83	152.2	176	15.1	-0	0	0	0	112.9
502	I	34.7	Very low	33.9	Very low	157 Å²	157	150 Å²	150	81%	0.805	82%	0.823	S	S	*	*			trans	-73	130.7	176.2	-62.6	166.9	0	0	0	109.8
503	L	29.3	Very low	35	Very low	167 Å²	167	140.2 Å²	140.2	87%	0.874	80%	0.8	S	S	*	*			trans	-127.8	132.8	158.8	-156.6	80.3	0	0	0	109.2
504	N	36.3	Very low	36.2	Very low	152 Å²	152	139.7 Å²	139.7	81%	0.813	79%	0.792	S	S	*	*			trans	-58.5	148.9	-176.9	-60	-37.4	0	0	0	113.9
505	G	30.8	Very low	37.4	Very low	69 Å²	69	136.4 Å²	136.4	71%	0.711	77%	0.769	S	S	*	*			trans	159.1	99.3	163	0	0	0	0	0	114.3
506	D	31.6	Very low	38.8	Very low	170 Å²	170	132.5 Å²	132.5	91%	0.909	75%	0.751	S	S	*	*			trans	49.2	107.3	150.2	-56.5	-21.7	0	0	0	119.9
507	G	45.2	Very low	40	Very low	80 Å²	80	125.5 Å²	125.5	83%	0.825	73%	0.734	S	S	*	*			trans	-81.1	116.4	174.5	0	0	0	0	0	112.8
508	E	41.6	Very low	41.5	Very low	205 Å²	205	124.1 Å²	124.1	96%	0.958	72%	0.719	S	S	*	*	S	Bend	trans	-149.8	16.6	154.8	-119.2	179.7	-172.7	0	0	114
509	G	44	Very low	43.2	Very low	70 Å²	70	118.8 Å²	118.8	72%	0.722	70%	0.701	S	S	*	*	S	Bend	trans	-116.1	-8.1	-176.7	0	0	0	0	0	117.2
510	A	41.4	Very low	44.9	Very low	80 Å²	80	115.6 Å²	115.6	66%	0.661	68%	0.681	S	S	*	*	S	Bend	trans	-96.1	-6.6	-166.3	0	0	0	0	0	115.7
511	L	45.5	Very low	46.3	Very low	151 Å²	151	111.8 Å²	111.8	79%	0.791	67%	0.665	S	S	*	*	H	α-helix	trans	-88.1	-13.5	-175.6	-72.6	171.9	0	0	0	114.8
512	N	48.3	Very low	48.3	Very low	137 Å²	137	113.4 Å²	113.4	73%	0.733	66%	0.66	S	S	*	*	H	α-helix	trans	-86.7	-21.1	-179.7	-70.2	-14.3	0	0	0	113.6
513	G	50	Low	50.2	Low	47 Å²	47	111.3 Å²	111.3	49%	0.485	65%	0.649	S	S	.	*	H	α-helix	trans	-79.7	-30.5	179.6	0	0	0	0	0	114.3	V517	G513-V517 VanDerWaalsContact O-CG2 3.31Å; G513-V517 WeakPolarHBondContact O-CG2 3.39Å; G513-V517 PolarHBondContact O-N 3.45Å
514	L	52.1	Low	52.2	Low	121 Å²	121	108.9 Å²	108.9	63%	0.634	64%	0.636	S	S	*	*	H	α-helix	trans	-76.8	-30.1	179.9	-84.2	148.2	0	0	0	112.8	M518	L514-M518 WeakPolarHBondContact O-CG 3.38Å; L514-M518 PolarHBondContact O-N 3.07Å; L514-M518 VanDerWaalsContact O-N 3.08Å
515	D	54.8	Low	54.2	Low	72 Å²	72	106.5 Å²	106.5	39%	0.385	62%	0.622	S	S	.	*	H	α-helix	trans	-71.7	-37.5	176.5	-166.7	57.4	0	0	0	112.3	M518 K519	D515-M518 PolarHBondContact O-N 2.95Å; D515-K519 PolarHBondContact O-N 2.84Å; D515-K519 IonicContact OD2-NZ 3.08Å; D515-K519 PolarHBondContact OD2-NZ 2.77Å
516	E	57.4	Low	56.6	Low	116 Å²	116	105 Å²	105	54%	0.542	61%	0.607	S	S	.	*	H	α-helix	trans	-64.2	-42.8	173.9	-79.3	-69.3	131.2	0	0	111.8	M518 K519 T520	E516-M518 PolarHBondContact O-N 3.24Å; E516-K519 PolarHBondContact O-N 2.82Å; E516-T520 PolarHBondContact O-N 2.87Å; E516-T520 PolarHBondContact O-OG1 2.94Å; E516-T520 VanDerWaalsContact O-OG1 3.1Å
517	V	55.3	Low	58.8	Low	89 Å²	89	100.4 Å²	100.4	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-67.9	-35	177.5	175.7	0	0	0	0	111.9	G513 T520 T521	G513-V517 VanDerWaalsContact O-CG2 3.31Å; G513-V517 WeakPolarHBondContact O-CG2 3.39Å; G513-V517 PolarHBondContact O-N 3.45Å; V517-T520 WeakPolarHBondContact CA-OG1 3.31Å; V517-T520 PolarHBondContact O-OG1 2.79Å; V517-T520 VanDerWaalsContact O-OG1 3.06Å; V517-T521 WeakPolarHBondContact O-CB 3.38Å; V517-T521 PolarHBondContact O-N 2.03Å; V517-T521 PolarHBondContact O-OG1 2.84Å
518	M	56.5	Low	60.5	Low	105 Å²	105	103.5 Å²	103.5	52%	0.517	58%	0.578	S	S	.	*	H	α-helix	trans	-70.1	-35.1	172.5	-77.2	-158.8	-43.3	0	0	112.9	L514 D515 E516 K522	L514-M518 WeakPolarHBondContact O-CG 3.38Å; L514-M518 PolarHBondContact O-N 3.07Å; L514-M518 VanDerWaalsContact O-N 3.08Å; D515-M518 PolarHBondContact O-N 2.95Å; E516-M518 PolarHBondContact O-N 3.24Å; M518-K522 WeakPolarHBondContact O-CG 3.21Å; M518-K522 PolarHBondContact O-N 2.89Å
519	K	63.8	Low	62.7	Low	105 Å²	105	97.2 Å²	97.2	46%	0.457	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-46.2	175.6	-86.6	173.9	179.1	139.9	0	112	D515 E516 T521 K522 I523	D515-K519 PolarHBondContact O-N 2.84Å; D515-K519 IonicContact OD2-NZ 3.08Å; D515-K519 PolarHBondContact OD2-NZ 2.77Å; E516-K519 PolarHBondContact O-N 2.82Å; K519-T521 VanDerWaalsContact C-N 3.31Å; K519-T521 PolarHBondContact O-N 2.96Å; K519-K522 PolarHBondContact O-N 2.84Å; K519-I523 WeakPolarHBondContact O-CG1 3.48Å; K519-I523 PolarHBondContact O-N 3.11Å; K519-I523 VanDerWaalsContact O-N 3.11Å
520	T	63.5	Low	64.6	Low	70 Å²	70	96.2 Å²	96.2	43%	0.429	54%	0.539	S	S	.	.	H	α-helix	trans	-63.9	-37	177.3	46.8	0	0	0	0	112	E516 V517 I523 I524	E516-T520 PolarHBondContact O-N 2.87Å; E516-T520 PolarHBondContact O-OG1 2.94Å; E516-T520 VanDerWaalsContact O-OG1 3.1Å; V517-T520 WeakPolarHBondContact CA-OG1 3.31Å; V517-T520 PolarHBondContact O-OG1 2.79Å; V517-T520 VanDerWaalsContact O-OG1 3.06Å; T520-I523 PolarHBondContact O-N 2.92Å; T520-I524 VanDerWaalsContact O-CG1 3.29Å; T520-I524 WeakPolarHBondContact O-CG1 3.26Å; T520-I524 PolarHBondContact O-N 2.8Å; T520-I524 VanDerWaalsContact O-N 3.12Å
521	T	62.8	Low	66.7	Low	69 Å²	69	98 Å²	98	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-70	-38.2	178.7	-50.1	0	0	0	0	112	V517 K519 I523 I524 I525	V517-T521 WeakPolarHBondContact O-CB 3.38Å; V517-T521 PolarHBondContact O-N 2.03Å; V517-T521 PolarHBondContact O-OG1 2.84Å; K519-T521 VanDerWaalsContact C-N 3.31Å; K519-T521 PolarHBondContact O-N 2.96Å; T521-I523 PolarHBondContact O-N 2.82Å; T521-I524 PolarHBondContact O-N 2.77Å; T521-I525 HydrophobicContact CG2-CD1 4.03Å; T521-I525 VanDerWaalsContact O-CG1 3.28Å; T521-I525 WeakPolarHBondContact O-CG1 3.45Å; T521-I525 PolarHBondContact O-N 2.89Å
522	K	69.9	Low	68.5	Low	149 Å²	149	94.2 Å²	94.2	65%	0.648	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-36.1	173.8	-78.6	178.3	179	174.8	0	112.9	M518 K519 G526	M518-K522 WeakPolarHBondContact O-CG 3.21Å; M518-K522 PolarHBondContact O-N 2.89Å; K519-K522 PolarHBondContact O-N 2.84Å; K522-G526 PolarHBondContact O-N 3.33Å
523	I	74.1	Confident	70.3	Confident	113 Å²	113	92.8 Å²	92.8	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-66.8	-43.6	176.2	-67.5	166.5	0	0	0	110.6	K519 T520 T521 G526 C527	K519-I523 WeakPolarHBondContact O-CG1 3.48Å; K519-I523 PolarHBondContact O-N 3.11Å; K519-I523 VanDerWaalsContact O-N 3.11Å; T520-I523 PolarHBondContact O-N 2.92Å; T521-I523 PolarHBondContact O-N 2.82Å; I523-G526 PolarHBondContact O-N 3.48Å; I523-C527 PolarHBondContact O-N 2.92Å
524	I	72.4	Confident	72.1	Confident	117 Å²	117	96.5 Å²	96.5	60%	0.6	52%	0.518	S	S	*	.	H	α-helix	trans	-64.7	-44.4	179.5	-66.4	165.2	0	0	0	111.2	T520 T521 G526 C527 F528	T520-I524 VanDerWaalsContact O-CG1 3.29Å; T520-I524 WeakPolarHBondContact O-CG1 3.26Å; T520-I524 PolarHBondContact O-N 2.8Å; T520-I524 VanDerWaalsContact O-N 3.12Å; T521-I524 PolarHBondContact O-N 2.77Å; I524-G526 VanDerWaalsContact C-N 3.32Å; I524-G526 PolarHBondContact O-N 2.94Å; I524-C527 PolarHBondContact O-N 3.37Å; I524-F528 PolarHBondContact O-N 2.9Å
525	I	77.6	Confident	73.6	Confident	101 Å²	101	93 Å²	93	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.9	-64.8	166.2	0	0	0	110.3	T521 C527 F528 V529	T521-I525 HydrophobicContact CG2-CD1 4.03Å; T521-I525 VanDerWaalsContact O-CG1 3.28Å; T521-I525 WeakPolarHBondContact O-CG1 3.45Å; T521-I525 PolarHBondContact O-N 2.89Å; I525-C527 PolarHBondContact O-N 2.97Å; I525-F528 PolarHBondContact O-N 3.26Å; I525-V529 HydrophobicContact CG2-CG2 4.46Å; I525-V529 WeakPolarHBondContact O-CG2 3.47Å; I525-V529 PolarHBondContact O-N 2.82Å
526	G	80.1	Confident	75.2	Confident	39 Å²	39	91.9 Å²	91.9	40%	0.402	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-44.1	175.3	0	0	0	0	0	113.2	K522 I523 I524 F528 V529 A530	K522-G526 PolarHBondContact O-N 3.33Å; I523-G526 PolarHBondContact O-N 3.48Å; I524-G526 VanDerWaalsContact C-N 3.32Å; I524-G526 PolarHBondContact O-N 2.94Å; G526-F528 PolarHBondContact O-N 3.09Å; G526-V529 PolarHBondContact O-N 2.77Å; G526-A530 WeakPolarHBondContact O-CB 3.48Å; G526-A530 PolarHBondContact O-N 2.84Å
527	C	78.8	Confident	76.6	Confident	72 Å²	72	90.1 Å²	90.1	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-40.3	175.5	-77.1	0	0	0	0	112.2	I523 I524 I525 A530 I531	I523-C527 PolarHBondContact O-N 2.92Å; I524-C527 PolarHBondContact O-N 3.37Å; I525-C527 PolarHBondContact O-N 2.97Å; C527-A530 PolarHBondContact O-N 2.63Å; C527-I531 WeakPolarHBondContact O-CD1 3.42Å; C527-I531 VanDerWaalsContact O-CG1 3.24Å; C527-I531 WeakPolarHBondContact O-CG1 3.2Å; C527-I531 PolarHBondContact O-N 3.02Å
528	F	81.4	Confident	78	Confident	145 Å²	145	91 Å²	91	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-41.3	179.2	-154.1	-92.5	0	0	0	111.9	I524 I525 G526 I531 T532	I524-F528 PolarHBondContact O-N 2.9Å; I525-F528 PolarHBondContact O-N 3.26Å; G526-F528 PolarHBondContact O-N 3.09Å; F528-I531 PolarHBondContact O-N 2.94Å; F528-T532 HydrophobicContact CD1-CG2 4.16Å; F528-T532 HydrophobicContact CE1-CG2 4.1Å; F528-T532 WeakPolarHBondContact O-CB 3.44Å; F528-T532 WeakPolarHBondContact O-CG2 3.46Å; F528-T532 PolarHBondContact O-N 3.31Å; F528-T532 PolarHBondContact O-OG1 3.01Å
529	V	87.4	Confident	79.4	Confident	73 Å²	73	92 Å²	92	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-38.8	174.9	175.4	0	0	0	0	111.6	I525 G526 T532 L533	I525-V529 HydrophobicContact CG2-CG2 4.46Å; I525-V529 WeakPolarHBondContact O-CG2 3.47Å; I525-V529 PolarHBondContact O-N 2.82Å; G526-V529 PolarHBondContact O-N 2.77Å; V529-T532 WeakPolarHBondContact CA-OG1 3.48Å; V529-T532 PolarHBondContact O-OG1 3.22Å; V529-L533 HydrophobicContact CG1-CD1 4.04Å; V529-L533 WeakPolarHBondContact O-CB 3.2Å; V529-L533 PolarHBondContact O-N 3.28Å
530	A	82.8	Confident	80.5	Confident	50 Å²	50	91.4 Å²	91.4	41%	0.413	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-42.4	176.8	0	0	0	0	0	112.7	G526 C527 L533 M534	G526-A530 WeakPolarHBondContact O-CB 3.48Å; G526-A530 PolarHBondContact O-N 2.84Å; C527-A530 PolarHBondContact O-N 2.63Å; A530-L533 PolarHBondContact O-N 3.14Å; A530-M534 WeakPolarHBondContact O-CB 3.41Å; A530-M534 VanDerWaalsContact O-CG 3.3Å; A530-M534 WeakPolarHBondContact O-CG 3.45Å; A530-M534 PolarHBondContact O-N 2.89Å
531	I	85.7	Confident	81.5	Confident	118 Å²	118	92.4 Å²	92.4	61%	0.605	52%	0.518	S	S	*	.	H	α-helix	trans	-65	-43.1	178.3	-69.5	165.7	0	0	0	110.6	C527 F528 M534 A535	C527-I531 WeakPolarHBondContact O-CD1 3.42Å; C527-I531 VanDerWaalsContact O-CG1 3.24Å; C527-I531 WeakPolarHBondContact O-CG1 3.2Å; C527-I531 PolarHBondContact O-N 3.02Å; F528-I531 PolarHBondContact O-N 2.94Å; I531-M534 PolarHBondContact O-N 3.13Å; I531-A535 WeakPolarHBondContact O-CB 3.03Å; I531-A535 PolarHBondContact O-N 2.85Å
532	T	84.3	Confident	82.2	Confident	71 Å²	71	96.7 Å²	96.7	44%	0.436	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-39.2	178.4	48.7	0	0	0	0	112.4	F528 V529 A535 A536	F528-T532 HydrophobicContact CD1-CG2 4.16Å; F528-T532 HydrophobicContact CE1-CG2 4.1Å; F528-T532 WeakPolarHBondContact O-CB 3.44Å; F528-T532 WeakPolarHBondContact O-CG2 3.46Å; F528-T532 PolarHBondContact O-N 3.31Å; F528-T532 PolarHBondContact O-OG1 3.01Å; V529-T532 WeakPolarHBondContact CA-OG1 3.48Å; V529-T532 PolarHBondContact O-OG1 3.22Å; T532-A535 PolarHBondContact O-N 2.8Å; T532-A536 WeakPolarHBondContact O-CB 3.47Å; T532-A536 PolarHBondContact O-N 3.49Å
533	L	86.8	Confident	83	Confident	107 Å²	107	97.5 Å²	97.5	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-43.8	172.7	-90.8	161.5	0	0	0	112.4	V529 A530 A535 A536 V537	V529-L533 HydrophobicContact CG1-CD1 4.04Å; V529-L533 WeakPolarHBondContact O-CB 3.2Å; V529-L533 PolarHBondContact O-N 3.28Å; A530-L533 PolarHBondContact O-N 3.14Å; L533-A535 VanDerWaalsContact C-N 3.34Å; L533-A535 PolarHBondContact O-N 2.85Å; L533-A536 PolarHBondContact O-N 2.73Å; L533-V537 WeakPolarHBondContact O-CG2 3.49Å; L533-V537 PolarHBondContact O-N 2.79Å
534	M	86.4	Confident	83.1	Confident	125 Å²	125	99.3 Å²	99.3	62%	0.616	54%	0.535	S	S	*	.	H	α-helix	trans	-63.5	-40.4	177.1	-74.2	-68.3	-78.1	0	0	111.7	A530 I531 V537 L538	A530-M534 WeakPolarHBondContact O-CB 3.41Å; A530-M534 VanDerWaalsContact O-CG 3.3Å; A530-M534 WeakPolarHBondContact O-CG 3.45Å; A530-M534 PolarHBondContact O-N 2.89Å; I531-M534 PolarHBondContact O-N 3.13Å; M534-V537 PolarHBondContact O-N 3.38Å; M534-L538 WeakPolarHBondContact O-CG 3.35Å; M534-L538 PolarHBondContact O-N 3.09Å
535	A	84.1	Confident	83.1	Confident	47 Å²	47	99.8 Å²	99.8	39%	0.388	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-41.2	174.5	0	0	0	0	0	112.1	I531 T532 L533 L538 L539	I531-A535 WeakPolarHBondContact O-CB 3.03Å; I531-A535 PolarHBondContact O-N 2.85Å; T532-A535 PolarHBondContact O-N 2.8Å; L533-A535 VanDerWaalsContact C-N 3.34Å; L533-A535 PolarHBondContact O-N 2.85Å; A535-L538 PolarHBondContact O-N 2.77Å; A535-L539 WeakPolarHBondContact O-CG 3.23Å; A535-L539 PolarHBondContact O-N 2.94Å
536	A	87.8	Confident	82.8	Confident	49 Å²	49	104.4 Å²	104.4	41%	0.405	55%	0.547	S	S	.	.	H	α-helix	trans	-64.1	-42.3	176	0	0	0	0	0	112.1	T532 L533 L538 L539 V540	T532-A536 WeakPolarHBondContact O-CB 3.47Å; T532-A536 PolarHBondContact O-N 3.49Å; L533-A536 PolarHBondContact O-N 2.73Å; A536-L538 PolarHBondContact O-N 2.77Å; A536-L539 PolarHBondContact O-N 3Å; A536-V540 WeakPolarHBondContact O-CG2 3.34Å; A536-V540 PolarHBondContact O-N 2.92Å
537	V	88.1	Confident	82.4	Confident	78 Å²	78	108.2 Å²	108.2	47%	0.473	55%	0.553	S	S	.	*	H	α-helix	trans	-62.5	-43.2	175.5	172	0	0	0	0	111	L533 M534 L539 V540 I541	L533-V537 WeakPolarHBondContact O-CG2 3.49Å; L533-V537 PolarHBondContact O-N 2.79Å; M534-V537 PolarHBondContact O-N 3.38Å; V537-L539 VanDerWaalsContact C-N 3.34Å; V537-L539 PolarHBondContact O-N 2.88Å; V537-V540 PolarHBondContact O-N 3.24Å; V537-I541 HydrophobicContact CG1-CD1 3.92Å; V537-I541 WeakPolarHBondContact O-CG1 3.36Å; V537-I541 PolarHBondContact O-N 2.74Å
538	L	84.2	Confident	81.7	Confident	107 Å²	107	111.2 Å²	111.2	56%	0.56	56%	0.559	S	S	*	*	H	α-helix	trans	-62.3	-39.6	176.6	-73.7	169.9	0	0	0	112.2	M534 A535 A536 I541 F542	M534-L538 WeakPolarHBondContact O-CG 3.35Å; M534-L538 PolarHBondContact O-N 3.09Å; A535-L538 PolarHBondContact O-N 2.77Å; A536-L538 PolarHBondContact O-N 2.77Å; L538-I541 PolarHBondContact O-N 3.39Å; L538-F542 WeakPolarHBondContact O-CB 3.26Å; L538-F542 PolarHBondContact O-N 2.92Å
539	L	86.7	Confident	80.5	Confident	126 Å²	126	111.6 Å²	111.6	66%	0.66	56%	0.563	S	S	*	*	H	α-helix	trans	-65.1	-39.6	175	-75.3	169.2	0	0	0	112.4	A535 A536 V537 F542 Y543	A535-L539 WeakPolarHBondContact O-CG 3.23Å; A535-L539 PolarHBondContact O-N 2.94Å; A536-L539 PolarHBondContact O-N 3Å; V537-L539 VanDerWaalsContact C-N 3.34Å; V537-L539 PolarHBondContact O-N 2.88Å; L539-F542 PolarHBondContact O-N 3.5Å; L539-Y543 WeakPolarHBondContact O-CB 3.33Å; L539-Y543 PolarHBondContact O-N 3.02Å
540	V	86.4	Confident	79	Confident	93 Å²	93	115 Å²	115	56%	0.564	58%	0.579	S	S	*	*	H	α-helix	trans	-65.8	-40.1	175.5	172.8	0	0	0	0	111.3	A536 V537 Y543 K544	A536-V540 WeakPolarHBondContact O-CG2 3.34Å; A536-V540 PolarHBondContact O-N 2.92Å; V537-V540 PolarHBondContact O-N 3.24Å; V540-Y543 PolarHBondContact O-N 3.15Å; V540-K544 PolarHBondContact O-N 2.92Å
541	I	83.5	Confident	77.5	Confident	92 Å²	92	119.7 Å²	119.7	47%	0.472	59%	0.592	S	S	.	*	H	α-helix	trans	-62.7	-45.5	174.4	-68	167.4	0	0	0	110.1	V537 L538 Y543 K544 M545	V537-I541 HydrophobicContact CG1-CD1 3.92Å; V537-I541 WeakPolarHBondContact O-CG1 3.36Å; V537-I541 PolarHBondContact O-N 2.74Å; L538-I541 PolarHBondContact O-N 3.39Å; I541-Y543 VanDerWaalsContact C-N 3.32Å; I541-Y543 PolarHBondContact O-N 3.09Å; I541-K544 PolarHBondContact O-N 2.9Å; I541-M545 HydrophobicContact CG2-CG 4.35Å; I541-M545 WeakPolarHBondContact O-CB 3.48Å; I541-M545 VanDerWaalsContact O-CG 3.27Å; I541-M545 WeakPolarHBondContact O-CG 3.36Å; I541-M545 PolarHBondContact O-N 3Å
542	F	78.8	Confident	75.6	Confident	158 Å²	158	122 Å²	122	69%	0.693	60%	0.6	S	S	*	*	H	α-helix	trans	-61.4	-40.6	177.1	-126.9	-87.5	0	0	0	112.1	L538 L539 M545 R546	L538-F542 WeakPolarHBondContact O-CB 3.26Å; L538-F542 PolarHBondContact O-N 2.92Å; L539-F542 PolarHBondContact O-N 3.5Å; F542-M545 PolarHBondContact O-N 3.43Å; F542-R546 WeakPolarHBondContact O-CB 3.14Å; F542-R546 PolarHBondContact O-N 2.91Å
543	Y	86.5	Confident	73.6	Confident	167 Å²	167	126.2 Å²	126.2	66%	0.655	62%	0.62	S	S	*	*	H	α-helix	trans	-64.8	-42.3	176	-176.3	-102.2	0	0	0	112	L539 V540 I541 R546 K547	L539-Y543 WeakPolarHBondContact O-CB 3.33Å; L539-Y543 PolarHBondContact O-N 3.02Å; V540-Y543 PolarHBondContact O-N 3.15Å; I541-Y543 VanDerWaalsContact C-N 3.32Å; I541-Y543 PolarHBondContact O-N 3.09Å; Y543-R546 PolarHBondContact O-N 3.05Å; Y543-K547 WeakPolarHBondContact O-CB 3.48Å; Y543-K547 PolarHBondContact O-N 2.97Å
544	K	75.3	Confident	71.6	Confident	151 Å²	151	126.9 Å²	126.9	66%	0.657	63%	0.631	S	S	*	*	H	α-helix	trans	-64.8	-43.1	175.1	-104.2	-172.2	172.2	-178	0	112.5	V540 I541 R546 K547 Q548	V540-K544 PolarHBondContact O-N 2.92Å; I541-K544 PolarHBondContact O-N 2.9Å; K544-R546 VanDerWaalsContact C-N 3.34Å; K544-R546 PolarHBondContact O-N 3.08Å; K544-K547 PolarHBondContact O-N 2.94Å; K544-Q548 PolarHBondContact O-N 3.5Å
545	M	71.8	Confident	69.2	Low	126 Å²	126	129.3 Å²	129.3	62%	0.621	65%	0.646	S	S	*	*	H	α-helix	trans	-59.6	-44.4	175.2	-74.8	-96.3	-67.5	0	0	111.3	I541 F542 K547 Q548 H549	I541-M545 HydrophobicContact CG2-CG 4.35Å; I541-M545 WeakPolarHBondContact O-CB 3.48Å; I541-M545 VanDerWaalsContact O-CG 3.27Å; I541-M545 WeakPolarHBondContact O-CG 3.36Å; I541-M545 PolarHBondContact O-N 3Å; F542-M545 PolarHBondContact O-N 3.43Å; M545-K547 PolarHBondContact O-N 3.42Å; M545-Q548 PolarHBondContact O-N 3.46Å; M545-H549 PolarHBondContact O-N 3.42Å; M545-H549 VanDerWaalsContact O-N 3.16Å
546	R	72.9	Confident	66.8	Low	199 Å²	199	130.4 Å²	130.4	75%	0.751	66%	0.663	S	S	*	*	H	α-helix	trans	-67.1	-35.2	178.2	-165.8	172.2	-176.5	164.6	0.6	112.5	F542 Y543 K544 H549 N550	F542-R546 WeakPolarHBondContact O-CB 3.14Å; F542-R546 PolarHBondContact O-N 2.91Å; Y543-R546 PolarHBondContact O-N 3.05Å; K544-R546 VanDerWaalsContact C-N 3.34Å; K544-R546 PolarHBondContact O-N 3.08Å; R546-H549 PolarHBondContact O-N 3.22Å; R546-N550 PolarHBondContact O-N 2.9Å
547	K	70.3	Confident	64.6	Low	119 Å²	119	134.1 Å²	134.1	52%	0.517	68%	0.683	S	S	.	*	H	α-helix	trans	-69.2	-34.3	175.3	-169.2	173.7	-179.4	178.1	0	112.6	Y543 K544 M545 N550	Y543-K547 WeakPolarHBondContact O-CB 3.48Å; Y543-K547 PolarHBondContact O-N 2.97Å; K544-K547 PolarHBondContact O-N 2.94Å; M545-K547 PolarHBondContact O-N 3.42Å; K547-N550 PolarHBondContact O-N 2.9Å
548	Q	63.8	Low	61.9	Low	134 Å²	134	135.4 Å²	135.4	63%	0.626	70%	0.701	S	S	*	*	H	α-helix	trans	-68.8	-35.4	174.1	-79	-179.3	-27.3	0	0	112.5	K544 M545 N550 Q551	K544-Q548 PolarHBondContact O-N 3.5Å; M545-Q548 PolarHBondContact O-N 3.46Å; Q548-N550 PolarHBondContact O-N 2.94Å; Q548-Q551 PolarHBondContact O-N 3.02Å
549	H	57.6	Low	59.4	Low	154 Å²	154	136.1 Å²	136.1	71%	0.713	72%	0.715	S	S	*	*	H	α-helix	trans	-70.4	-18.9	174.7	-163.8	-71.4	0	0	0	113.3	M545 R546	M545-H549 PolarHBondContact O-N 3.42Å; M545-H549 VanDerWaalsContact O-N 3.16Å; R546-H549 PolarHBondContact O-N 3.22Å
550	N	54.8	Low	56.8	Low	144 Å²	144	135.7 Å²	135.7	77%	0.77	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	4.4	178.7	-122.9	42.6	0	0	0	113.7	R546 K547 Q548	R546-N550 PolarHBondContact O-N 2.9Å; K547-N550 PolarHBondContact O-N 2.9Å; Q548-N550 PolarHBondContact O-N 2.94Å
551	Q	52	Low	54.1	Low	149 Å²	149	140.2 Å²	140.2	70%	0.696	74%	0.74	S	S	*	*	S	Bend	trans	-109.7	8.3	177.7	-77.6	-174.1	-25.9	0	0	113.6	Q548	Q548-Q551 PolarHBondContact O-N 3.02Å
552	Q	46.5	Very low	51.4	Low	165 Å²	165	143.8 Å²	143.8	77%	0.771	76%	0.755	S	S	*	*			trans	-116.2	79.3	173	-82	165.1	-24.9	0	0	109.6
553	D	41.3	Very low	49	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-85.2	135	151.6	-96.2	-33.9	0	0	0	108.4
554	P	45.8	Very low	46.2	Very low	122 Å²	122	141.3 Å²	141.3	79%	0.792	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-85.2	129.6	163.2	24.4	-14.9	0	0	0	111	G556	P554-G556 PolarHBondContact O-N 2.92Å
555	D	34.8	Very low	44	Very low	175 Å²	175	140.1 Å²	140.1	94%	0.936	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-54.6	121.5	172.6	-87	-47.2	0	0	0	114.1
556	G	33.7	Very low	42	Very low	71 Å²	71	140 Å²	140	73%	0.732	78%	0.775	S	S	*	*			trans	97.6	158.6	136.6	0	0	0	0	0	119.9	P554	P554-G556 PolarHBondContact O-N 2.92Å
557	P	41.5	Very low	40	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	78%	0.781	S	S	*	*			cis	-112.1	149.4	-36.2	35.6	-22.1	0	0	0	112.3
558	A	32	Very low	38	Very low	104 Å²	104	142.3 Å²	142.3	86%	0.86	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72.3	130.4	176.8	0	0	0	0	0	111.9
559	S	32	Very low	36.4	Very low	123 Å²	123	144 Å²	144	86%	0.86	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-98.5	117.2	157.1	-64.5	0	0	0	0	108.1
560	S	32	Very low	34.9	Very low	117 Å²	117	145 Å²	145	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.2	171.5	49.4	0	0	0	0	111.5
561	M	28.6	Very low	33.6	Very low	188 Å²	188	142.5 Å²	142.5	93%	0.926	81%	0.813	S	S	*	*			trans	-148.7	134.8	147	-148.8	155.5	-176.8	0	0	111.4
562	E	27.2	Very low	32.4	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	82%	0.816	S	S	*	*			trans	-67	148.3	-164	-68.5	161.7	136.2	0	0	114.4	I564	E562-I564 PolarHBondContact O-N 2.91Å
563	V	28.8	Very low	31.5	Very low	134 Å²	134	138 Å²	138	81%	0.812	82%	0.821	S	S	*	*			trans	-72.2	111.8	160.5	174.3	0	0	0	0	107.6	T565	V563-T565 HydrophobicContact CG1-CG2 4.32Å
564	I	27.3	Very low	30.7	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	82%	0.816	S	S	*	*			trans	-102.4	107.5	163	-64.4	172.6	0	0	0	106.9	E562 V566	E562-I564 PolarHBondContact O-N 2.91Å; I564-V566 HydrophobicContact CG2-CG2 3.79Å
565	T	28.2	Very low	29.8	Very low	125 Å²	125	133.8 Å²	133.8	77%	0.767	82%	0.819	S	S	*	*			trans	-81.1	123.4	159.2	42.2	0	0	0	0	108.6	V563	V563-T565 HydrophobicContact CG1-CG2 4.32Å
566	V	30	Very low	29.2	Very low	123 Å²	123	134 Å²	134	75%	0.745	82%	0.816	S	S	*	*			trans	-132.3	110.6	158.8	179.5	0	0	0	0	107	I564	I564-V566 HydrophobicContact CG2-CG2 3.79Å
567	E	30.7	Very low	28.8	Very low	188 Å²	188	138.7 Å²	138.7	88%	0.879	82%	0.819	S	S	*	*			trans	-72.2	133.4	154	-70.6	174.2	145.4	0	0	107.7
568	E	30.3	Very low	28	Very low	180 Å²	180	143.9 Å²	143.9	84%	0.841	82%	0.822	S	S	*	*			trans	-169.5	154.9	134.2	-119.4	175	172.1	0	0	113
569	E	28.4	Very low	27.7	Very low	169 Å²	169	147 Å²	147	79%	0.79	82%	0.819	S	S	*	*			trans	-46	158.9	-173.2	-58.2	-179.7	146.7	0	0	118.3
570	L	27.1	Very low	27.5	Very low	174 Å²	174	149 Å²	149	91%	0.911	82%	0.819	S	S	*	*			trans	-151.7	109.8	139.6	-141.4	76.2	0	0	0	112.6
571	A	27.8	Very low	27.2	Very low	92 Å²	92	148.7 Å²	148.7	76%	0.76	82%	0.817	S	S	*	*			trans	-75.6	149.1	154.3	0	0	0	0	0	109.9
572	G	27.2	Very low	27.1	Very low	73 Å²	73	147.3 Å²	147.3	75%	0.753	81%	0.812	S	S	*	*			trans	-76	-177.2	-164.1	0	0	0	0	0	117.7
573	V	26	Very low	27.4	Very low	147 Å²	147	144.4 Å²	144.4	89%	0.891	81%	0.808	S	S	*	*			trans	-172.2	128.4	136.6	153.3	0	0	0	0	110.1
574	A	25.5	Very low	27.5	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	81%	0.809	S	S	*	*			trans	38	122.8	146.6	0	0	0	0	0	124.7
575	A	25.8	Very low	27.4	Very low	103 Å²	103	145.2 Å²	145.2	85%	0.851	82%	0.816	S	S	*	*				30.5	122.2	125.1	0	0	0	0	0	121.4
576	M	23.4	Very low	27.3	Very low	179 Å²	179	147.6 Å²	147.6	88%	0.882	82%	0.818	S	S	*	*			trans	-145.3	112.3	143.4	-174.5	85.1	102	0	0	108.6
577	E	24.5	Very low	27.2	Very low	171 Å²	171	150 Å²	150	80%	0.799	82%	0.82	S	S	*	*			trans	-64.2	136.8	169.4	-72.5	174.7	138.7	0	0	111.2
578	R	24.9	Very low	26.9	Very low	235 Å²	235	150.8 Å²	150.8	89%	0.887	82%	0.817	S	S	*	*			trans	-142.2	119.4	142.4	-79.7	-161.3	-172.8	169.2	4.2	111
579	H	26.7	Very low	26.7	Very low	169 Å²	169	148.1 Å²	148.1	78%	0.782	81%	0.809	S	S	*	*			trans	-43.3	132.9	164.5	-79.3	-91.5	0	0	0	113.6
580	L	25.9	Very low	26.7	Very low	166 Å²	166	148 Å²	148	87%	0.869	81%	0.808	S	S	*	*			trans	-148.5	99.8	150.5	-105.3	142.5	0	0	0	109.1
581	S	26.6	Very low	26.7	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	80%	0.802	S	S	*	*			trans	-79.9	129.3	169	47.6	0	0	0	0	110.6
582	L	26.8	Very low	26.6	Very low	158 Å²	158	151.8 Å²	151.8	83%	0.827	80%	0.802	S	S	*	*			trans	-139.2	155.6	164.1	-89.1	165.6	0	0	0	109.4
583	P	32.5	Very low	26.6	Very low	105 Å²	105	154.6 Å²	154.6	68%	0.682	81%	0.805	S	S	*	*			trans	-92.5	174.3	-142.4	38.8	-38.1	0	0	0	114.4
584	P	30.7	Very low	26.7	Very low	129 Å²	129	158.3 Å²	158.3	84%	0.838	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.4	139	-168.6	31.3	-32.3	0	0	0	112.5
585	L	26.4	Very low	26.7	Very low	163 Å²	163	163.2 Å²	163.2	85%	0.853	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-87.8	116.4	170	-88.7	154.2	0	0	0	109.7	H587	L585-H587 PolarHBondContact O-N 2.62Å
586	E	25.9	Very low	26.7	Very low	174 Å²	174	163.1 Å²	163.1	81%	0.813	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.9	166.7	-70.3	-179.9	148.4	0	0	110.7	Y588	E586-Y588 PolarHBondContact O-N 2.82Å
587	H	27.9	Very low	26.7	Very low	173 Å²	173	159.9 Å²	159.9	80%	0.801	79%	0.792	S	S	*	*			trans	-78.9	107.3	168.5	-94.7	30.8	0	0	0	109.9	L585 N589	L585-H587 PolarHBondContact O-N 2.62Å; H587-N589 PolarHBondContact O-N 3.18Å
588	Y	24.8	Very low	26.8	Very low	206 Å²	206	162.3 Å²	162.3	81%	0.808	80%	0.796	S	S	*	*			trans	-72.9	100.7	163.5	-107.6	-97.2	0	0	0	109.5	E586	E586-Y588 PolarHBondContact O-N 2.82Å
589	N	26.7	Very low	26.8	Very low	124 Å²	124	158.8 Å²	158.8	66%	0.663	79%	0.789	S	S	*	*			trans	-76	116.8	164.5	-89.7	-26.7	0	0	0	109.6	H587	H587-N589 PolarHBondContact O-N 3.18Å
590	H	26.6	Very low	26.8	Very low	167 Å²	167	159.3 Å²	159.3	77%	0.773	79%	0.792	S	S	*	*			trans	-111.5	85.2	162.3	-107.8	13.5	0	0	0	109.2
591	Y	27.6	Very low	27	Very low	204 Å²	204	156.8 Å²	156.8	80%	0.8	79%	0.785	S	S	*	*			trans	-88.6	109.6	160.1	-92.2	-87.2	0	0	0	108.3	T593	Y591-T593 PolarHBondContact O-N 3.46Å
592	N	26.4	Very low	27.2	Very low	141 Å²	141	157.3 Å²	157.3	75%	0.754	79%	0.786	S	S	*	*			trans	-84.1	97.8	165.4	-90.4	-27.5	0	0	0	108.9
593	T	27.3	Very low	27.2	Very low	131 Å²	131	158.9 Å²	158.9	80%	0.804	79%	0.791	S	S	*	*			trans	-82.8	112.2	165	-6.5	0	0	0	0	108.4	Y591 K595	Y591-T593 PolarHBondContact O-N 3.46Å; T593-K595 PolarHBondContact O-N 3.29Å
594	Y	28	Very low	26.9	Very low	225 Å²	225	161.5 Å²	161.5	88%	0.882	80%	0.799	S	S	*	*			trans	-79.8	104	167.1	-100	-91.1	0	0	0	109.2
595	K	24.5	Very low	26.8	Very low	193 Å²	193	160.9 Å²	160.9	84%	0.839	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74.5	128.5	161.5	-98	178.1	174.1	175.8	0	108.9	T593	T593-K595 PolarHBondContact O-N 3.29Å
596	S	25.8	Very low	26.7	Very low	102 Å²	102	159 Å²	159	71%	0.713	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-88.2	128.4	167.3	166	0	0	0	0	109.5
597	T	25	Very low	26.8	Very low	110 Å²	110	158.9 Å²	158.9	68%	0.675	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-95.9	119.3	-179.3	-39.4	0	0	0	0	109.3
598	Y	26	Very low	26.7	Very low	222 Å²	222	158.8 Å²	158.8	87%	0.871	80%	0.795	S	S	*	*			trans	-120.6	120.5	160.4	-87.7	-82	0	0	0	108.9
599	H	24.3	Very low	26.8	Very low	161 Å²	161	154.1 Å²	154.1	75%	0.745	79%	0.793	S	S	*	*			trans	-102.8	135.9	176.2	-98.4	-63.8	0	0	0	110.4
600	H	27	Very low	26.8	Very low	181 Å²	181	153.6 Å²	153.6	84%	0.838	80%	0.799	S	S	*	*			trans	156.1	158.4	135	-86	-58	0	0	0	110.8
601	P	30.5	Very low	26.9	Very low	113 Å²	113	150 Å²	150	73%	0.734	80%	0.799	S	S	*	*				-120.4	175.1	-64.6	31.7	-12.6	0	0	0	111.6
602	P	30.3	Very low	26.8	Very low	122 Å²	122	147.6 Å²	147.6	79%	0.792	81%	0.805	S	S	*	*			trans	-94.9	145.1	-173.2	35.6	-29.8	0	0	0	113.5
603	M	26.7	Very low	26.8	Very low	190 Å²	190	148.7 Å²	148.7	94%	0.936	81%	0.806	S	S	*	*			trans	-115.7	130.7	161.5	-94.3	-88.6	162.2	0	0	108.7
604	L	27.2	Very low	26.8	Very low	160 Å²	160	150.2 Å²	150.2	84%	0.838	80%	0.804	S	S	*	*			trans	-59.3	141.4	177.9	-97.2	75	0	0	0	112.6
605	S	27.3	Very low	27.4	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	79%	0.792	S	S	*	*				-165.7	123.2	119.9	42.9	0	0	0	0	111.8
606	T	25.5	Very low	27.4	Very low	123 Å²	123	141.6 Å²	141.6	76%	0.755	79%	0.786	S	S	*	*			trans	-52.2	142.2	162.3	17.9	0	0	0	0	113
607	I	27.4	Very low	27.4	Very low	172 Å²	172	144.7 Å²	144.7	88%	0.882	79%	0.794	S	S	*	*				-152.8	141.8	124.3	-62.9	-161.7	0	0	0	110.1
608	H	26.8	Very low	27.4	Very low	171 Å²	171	146 Å²	146	79%	0.792	80%	0.796	S	S	*	*			trans	-69.9	168.8	-173.7	-100.1	-78.9	0	0	0	118.4
609	S	27	Very low	27.4	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	80%	0.797	S	S	*	*			trans	91.1	141.4	146.8	76.5	0	0	0	0	116.6
610	S	26.7	Very low	27.5	Very low	114 Å²	114	141 Å²	141	80%	0.797	80%	0.796	S	S	*	*			cis	-167.5	152.1	-10	39	0	0	0	0	107.8
611	A	27.4	Very low	27.4	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	80%	0.798	S	S	*	*			trans	-63.2	154	177.9	0	0	0	0	0	114.7
612	T	26.9	Very low	27.3	Very low	152 Å²	152	137.9 Å²	137.9	93%	0.933	80%	0.795	S	S	*	*			trans	-158.7	137.5	131.3	38.6	0	0	0	0	111.2
613	Q	25.6	Very low	27.3	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	79%	0.794	S	S	*	*			trans	-98.1	140.5	-174.2	-126.1	170.4	-48	0	0	111
614	E	26.2	Very low	27.4	Very low	163 Å²	163	139 Å²	139	76%	0.762	79%	0.79	S	S	*	*			trans	64.3	166.9	139.6	-82	-173.6	171.1	0	0	121.9
615	P	40.9	Very low	27.4	Very low	96 Å²	96	138.4 Å²	138.4	62%	0.623	79%	0.788	S	S	*	*			cis	-141.4	-174.1	-40.3	38.4	-20.2	0	0	0	114.4
616	L	25.6	Very low	27.5	Very low	140 Å²	140	139.4 Å²	139.4	73%	0.733	79%	0.789	S	S	*	*			trans	77.5	121.1	154.6	-74.6	156.3	0	0	0	120.2
617	L	24.8	Very low	27.7	Very low	168 Å²	168	142.6 Å²	142.6	88%	0.88	80%	0.795	S	S	*	*				-174.8	145.6	98.7	-110.5	133.7	0	0	0	114.2
618	I	25.6	Very low	27.7	Very low	137 Å²	137	143.4 Å²	143.4	70%	0.703	80%	0.795	S	S	*	*			trans	-74.3	142.1	-179.6	-65.3	151.4	0	0	0	110.6
619	Q	25.4	Very low	27.7	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	79%	0.793	S	S	*	*			trans	-147.3	106.6	144.3	-156.6	161.4	-1.9	0	0	111.3
620	A	26.5	Very low	28	Very low	88 Å²	88	144.6 Å²	144.6	73%	0.727	80%	0.798	S	S	*	*			trans	-93.2	137.6	160.8	0	0	0	0	0	108.2
621	C	26.1	Very low	28.4	Very low	131 Å²	131	150.7 Å²	150.7	89%	0.885	82%	0.819	S	S	*	*			trans	-147.7	140.5	153.3	-133.2	0	0	0	0	109.6
622	S	28.4	Very low	28.4	Very low	97 Å²	97	153.7 Å²	153.7	68%	0.678	82%	0.822	S	S	*	*			trans	-99.6	159.8	-162.2	58.4	0	0	0	0	113.8
623	K	29.7	Very low	28.5	Very low	176 Å²	176	153.7 Å²	153.7	77%	0.765	82%	0.816	S	S	*	*			trans	66.2	123.9	146.1	-75.6	175.6	176.7	179.9	0	118.2
624	D	28	Very low	28.7	Very low	160 Å²	160	153.1 Å²	153.1	86%	0.856	82%	0.818	S	S	*	*				-157.8	142.4	97.8	-92.1	-28.5	0	0	0	113.1
625	N	28.3	Very low	28.8	Very low	148 Å²	148	152.5 Å²	152.5	79%	0.791	82%	0.822	S	S	*	*			trans	-80.5	140.2	174.6	-68.9	-37	0	0	0	109.8
626	V	27.6	Very low	28.1	Very low	136 Å²	136	156.1 Å²	156.1	82%	0.824	83%	0.834	S	S	*	*			trans	-142.5	110.8	144.3	-177.6	0	0	0	0	108.7
627	Q	30.6	Very low	28.2	Very low	190 Å²	190	157.1 Å²	157.1	89%	0.888	84%	0.841	S	S	*	*			trans	-80.8	137.1	152.7	-81.1	179.8	-42.8	0	0	107.4
628	E	27.2	Very low	28.5	Very low	190 Å²	190	156.4 Å²	156.4	89%	0.888	84%	0.838	S	S	*	*			trans	-146.5	128.6	150.5	-122.6	173.2	-165.4	0	0	110.1
629	T	28	Very low	28.7	Very low	123 Å²	123	157.8 Å²	157.8	76%	0.755	85%	0.849	S	S	*	*			trans	-106.8	151.6	178.5	36.2	0	0	0	0	109.6
630	Q	32.2	Very low	29	Very low	180 Å²	180	155.2 Å²	155.2	84%	0.841	85%	0.845	S	S	*	*			trans	77.2	113.3	160.7	-67	176.7	-7.2	0	0	117.9
631	I	35.2	Very low	29.2	Very low	243 Å²	243	161.3 Å²	161.3	100%	1.246	86%	0.856	S	S	*	*				-133.5	0	91.5	-64.7	-176.8	0	0	0	108.3

Retrieved 631 of 631 residues in 536.9 ms (Link to these results)

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