A0A087Y9A1_POEFO Loading...

LRRCT domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y9A1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 786 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	27.7	Very low	25.3	Very low	240 Å²	240	171.6 Å²	171.6	100%	1.182	84%	0.844	S	S	*	*				0	141.9	0	-69.2	178.5	176.7	0	0	107.9
2	K	26.4	Very low	25.4	Very low	203 Å²	203	165.8 Å²	165.8	88%	0.883	83%	0.832	S	S	*	*			cis	-122	152.3	-10	-83.6	177.6	174.4	171.2	0	108.7
3	L	23.7	Very low	25.4	Very low	164 Å²	164	165.2 Å²	165.2	86%	0.859	83%	0.831	S	S	*	*			trans	-76	152.6	164.8	-92.1	66.3	0	0	0	110.4
4	R	23.2	Very low	25.6	Very low	234 Å²	234	160.6 Å²	160.6	88%	0.883	82%	0.818	S	S	*	*			trans	-141.3	142.9	130.8	-114.9	179.7	-178.2	-174	-0.5	109.7
5	S	24.2	Very low	25.9	Very low	91 Å²	91	157.1 Å²	157.1	64%	0.636	81%	0.807	S	S	*	*			trans	-134	144	-177.5	178	0	0	0	0	108
6	Y	23.6	Very low	26	Very low	217 Å²	217	151.8 Å²	151.8	85%	0.851	79%	0.794	S	S	*	*			trans	-144.2	159.1	163.2	-92.7	-74.7	0	0	0	109.6
7	M	23.2	Very low	26.3	Very low	173 Å²	173	153.5 Å²	153.5	85%	0.852	79%	0.793	S	S	*	*			trans	-106.6	168.4	-152.5	-68.6	172.2	61.9	0	0	115.2
8	F	25.5	Very low	26.5	Very low	169 Å²	169	151.1 Å²	151.1	74%	0.741	79%	0.787	S	S	*	*			trans	-53.9	162.9	171.5	-70.3	-91.4	0	0	0	114.2	Y10	F8-Y10 HydrophobicContact CD1-CD2 4.22Å; F8-Y10 HydrophobicContact CD1-CE2 4.2Å; F8-Y10 HydrophobicContact CE1-CE2 4.46Å; F8-Y10 HydrophobicContact CG-CE2 4.47Å
9	P	31.7	Very low	26.7	Very low	129 Å²	129	148.4 Å²	148.4	84%	0.838	77%	0.773	S	S	*	*				-116.3	176.8	92.1	-6.7	26.4	0	0	0	115.4
10	Y	26.2	Very low	26.8	Very low	189 Å²	189	150.4 Å²	150.4	74%	0.741	77%	0.77	S	S	*	*			trans	-95.8	154.2	-175.4	-96.4	-113.5	0	0	0	114.1	F8	F8-Y10 HydrophobicContact CD1-CD2 4.22Å; F8-Y10 HydrophobicContact CD1-CE2 4.2Å; F8-Y10 HydrophobicContact CE1-CE2 4.46Å; F8-Y10 HydrophobicContact CG-CE2 4.47Å
11	G	23	Very low	26.9	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	77%	0.768	S	S	*	*			trans	-141.2	114.8	156.6	0	0	0	0	0	109.2
12	S	26.2	Very low	27.1	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	74%	0.739	S	S	*	*			trans	-99.7	131.5	-159.8	-60.4	0	0	0	0	114.4
13	I	25.7	Very low	27.3	Very low	159 Å²	159	142.1 Å²	142.1	82%	0.815	73%	0.731	S	S	*	*			trans	-129.5	134.2	162.1	-60.3	-178.8	0	0	0	108.8	V15	I13-V15 PolarHBondContact O-N 3Å
14	P	28.1	Very low	27.9	Very low	100 Å²	100	141.2 Å²	141.2	65%	0.649	72%	0.724	S	S	*	*			trans	-80.9	124.4	-162.9	-15.5	32.1	0	0	0	115	A16 K17	P14-A16 HydrophobicContact CB-CB 4.32Å; P14-A16 PolarHBondContact O-N 3.32Å; P14-K17 PolarHBondContact O-N 3.42Å
15	V	29.5	Very low	28.5	Very low	109 Å²	109	136.7 Å²	136.7	66%	0.661	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-16.7	171.8	179.8	0	0	0	0	112.8	I13 K17 V18 L19	I13-V15 PolarHBondContact O-N 3Å; V15-K17 PolarHBondContact O-N 2.68Å; V15-V18 PolarHBondContact O-N 3.43Å; V15-L19 HydrophobicContact CG1-CD1 3.93Å
16	A	29	Very low	29.4	Very low	71 Å²	71	136 Å²	136	59%	0.587	71%	0.708	S	S	*	*	H	α-helix	trans	-54	-32.8	177.7	0	0	0	0	0	114.5	P14 V18 R20	P14-A16 HydrophobicContact CB-CB 4.32Å; P14-A16 PolarHBondContact O-N 3.32Å; A16-V18 PolarHBondContact O-N 3.11Å; A16-R20 PolarHBondContact O-N 2.76Å
17	K	29.8	Very low	30.1	Very low	181 Å²	181	126.9 Å²	126.9	79%	0.787	68%	0.681	S	S	*	*	H	α-helix	trans	-70.2	-30.3	-178.8	-122.2	176.5	-178.1	179	0	113	P14 V15	P14-K17 PolarHBondContact O-N 3.42Å; V15-K17 PolarHBondContact O-N 2.68Å
18	V	31.2	Very low	31.1	Very low	111 Å²	111	120.9 Å²	120.9	67%	0.673	66%	0.663	S	S	*	*	H	α-helix	trans	-77.7	-36.6	178.6	-177.3	0	0	0	0	111.6	V15 A16 R20	V15-V18 PolarHBondContact O-N 3.43Å; A16-V18 PolarHBondContact O-N 3.11Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 2.94Å
19	L	28.8	Very low	31.9	Very low	100 Å²	100	117.6 Å²	117.6	52%	0.524	65%	0.652	S	S	.	*	H	α-helix	trans	-67.5	-25.1	176.2	-94.6	83.2	0	0	0	113.5	V15 R23	V15-L19 HydrophobicContact CG1-CD1 3.93Å; L19-R23 PolarHBondContact O-N 3.06Å
20	R	29	Very low	32.3	Very low	188 Å²	188	116 Å²	116	71%	0.709	64%	0.635	S	S	*	*	H	α-helix	trans	-72.4	-45.7	-177.6	-145.1	170.8	-172.4	174.9	1.1	112	A16 V18 S22 R23 M24	A16-R20 PolarHBondContact O-N 2.76Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 2.94Å; R20-S22 PolarHBondContact O-N 3.14Å; R20-R23 PolarHBondContact O-N 3.03Å; R20-M24 PolarHBondContact O-N 2.83Å
21	M	29.9	Very low	33.2	Very low	149 Å²	149	112.5 Å²	112.5	73%	0.734	63%	0.629	S	S	*	*	H	α-helix	trans	-64.7	-39.1	177.8	-64.2	-176.4	78.3	0	0	112.9	R23 M24	M21-R23 VanDerWaalsContact C-N 3.3Å; M21-R23 PolarHBondContact O-N 3.02Å; M21-M24 PolarHBondContact O-N 2.88Å
22	S	30.5	Very low	34.1	Very low	82 Å²	82	114 Å²	114	57%	0.573	61%	0.613	S	S	*	*	H	α-helix	trans	-65.1	-31	177.8	173.7	0	0	0	0	113.3	R20 T26	R20-S22 PolarHBondContact O-N 3.14Å; S22-T26 PolarHBondContact O-OG1 3.16Å
23	R	32.3	Very low	34.6	Very low	188 Å²	188	112.6 Å²	112.6	71%	0.709	60%	0.597	S	S	*	*	H	α-helix	trans	-77.1	-34.2	178.7	-80.5	-176.5	168.8	-169.4	-4.4	113.2	L19 R20 M21 T26 G27	L19-R23 PolarHBondContact O-N 3.06Å; R20-R23 PolarHBondContact O-N 3.03Å; M21-R23 VanDerWaalsContact C-N 3.3Å; M21-R23 PolarHBondContact O-N 3.02Å; R23-T26 PolarHBondContact O-N 3.25Å; R23-T26 PolarHBondContact O-OG1 3.1Å; R23-G27 PolarHBondContact O-N 2.84Å
24	M	35.5	Very low	35.2	Very low	145 Å²	145	110.8 Å²	110.8	71%	0.714	59%	0.588	S	S	*	*	H	α-helix	trans	-69.9	-43.4	-178.2	-64.5	-176.6	82.1	0	0	112.3	R20 M21 T26 G27 G28	R20-M24 PolarHBondContact O-N 2.83Å; M21-M24 PolarHBondContact O-N 2.88Å; M24-T26 VanDerWaalsContact C-N 3.26Å; M24-T26 PolarHBondContact O-N 2.86Å; M24-G27 PolarHBondContact O-N 2.92Å; M24-G28 PolarHBondContact O-N 3.16Å
25	L	36.2	Very low	35.8	Very low	140 Å²	140	109.7 Å²	109.7	73%	0.733	58%	0.583	S	S	*	*	H	α-helix	trans	-65.7	-24.3	176.9	-98.6	73.3	0	0	0	114.3	I29	L25-I29 WeakPolarHBondContact O-CD1 3.42Å
26	T	42.2	Very low	36.3	Very low	75 Å²	75	110.4 Å²	110.4	46%	0.46	58%	0.583	S	S	.	*	H	α-helix	trans	-95	-27.3	176.3	43.5	0	0	0	0	113.2	S22 R23 M24 I30	S22-T26 PolarHBondContact O-OG1 3.16Å; R23-T26 PolarHBondContact O-N 3.25Å; R23-T26 PolarHBondContact O-OG1 3.1Å; M24-T26 VanDerWaalsContact C-N 3.26Å; M24-T26 PolarHBondContact O-N 2.86Å; T26-I30 WeakPolarHBondContact O-CB 3.47Å; T26-I30 WeakPolarHBondContact O-CD1 3.25Å; T26-I30 VanDerWaalsContact O-CG1 3.26Å; T26-I30 WeakPolarHBondContact O-CG1 3.15Å; T26-I30 PolarHBondContact O-N 3.35Å
27	G	39	Very low	36.5	Very low	27 Å²	27	114 Å²	114	28%	0.278	59%	0.591	S	S	.	*	H	α-helix	trans	-62.4	-53	174.7	0	0	0	0	0	112.5	R23 M24 I29 I30 I31	R23-G27 PolarHBondContact O-N 2.84Å; M24-G27 PolarHBondContact O-N 2.92Å; G27-I29 PolarHBondContact O-N 2.96Å; G27-I30 PolarHBondContact O-N 3.17Å; G27-I31 WeakPolarHBondContact O-CG1 3.4Å; G27-I31 PolarHBondContact O-N 3.05Å
28	G	43.2	Very low	36.7	Very low	46 Å²	46	111 Å²	111	47%	0.474	59%	0.587	S	S	.	*	H	α-helix	trans	-58.1	-44.7	-177.1	0	0	0	0	0	113.5	M24 I30 I31 F32	M24-G28 PolarHBondContact O-N 3.16Å; G28-I30 PolarHBondContact O-N 3.19Å; G28-I31 PolarHBondContact O-N 3.32Å; G28-F32 WeakPolarHBondContact O-CB 3.2Å; G28-F32 PolarHBondContact O-N 2.97Å
29	I	42.9	Very low	36.8	Very low	100 Å²	100	113.5 Å²	113.5	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-65.7	-37.8	179.4	-59.7	175.6	0	0	0	111.5	L25 G27 L33	L25-I29 WeakPolarHBondContact O-CD1 3.42Å; G27-I29 PolarHBondContact O-N 2.96Å; I29-L33 HydrophobicContact CG2-CD1 4.15Å; I29-L33 WeakPolarHBondContact O-CG 3.33Å; I29-L33 PolarHBondContact O-N 3.16Å
30	I	40.8	Very low	36.7	Very low	95 Å²	95	117.5 Å²	117.5	49%	0.487	61%	0.611	S	S	.	*	H	α-helix	trans	-73.2	-37.1	178.7	-69	170.3	0	0	0	111.3	T26 G27 G28 L33 L34	T26-I30 WeakPolarHBondContact O-CB 3.47Å; T26-I30 WeakPolarHBondContact O-CD1 3.25Å; T26-I30 VanDerWaalsContact O-CG1 3.26Å; T26-I30 WeakPolarHBondContact O-CG1 3.15Å; T26-I30 PolarHBondContact O-N 3.35Å; G27-I30 PolarHBondContact O-N 3.17Å; G28-I30 PolarHBondContact O-N 3.19Å; I30-L33 PolarHBondContact O-N 2.94Å; I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.01Å
31	I	43.9	Very low	37.1	Very low	117 Å²	117	114.6 Å²	114.6	60%	0.6	62%	0.619	S	S	*	*	H	α-helix	trans	-65.7	-45.7	175.9	-68.8	165.7	0	0	0	110.3	G27 G28 L33 L34 S35	G27-I31 WeakPolarHBondContact O-CG1 3.4Å; G27-I31 PolarHBondContact O-N 3.05Å; G28-I31 PolarHBondContact O-N 3.32Å; I31-L33 VanDerWaalsContact C-N 3.27Å; I31-L33 PolarHBondContact O-N 2.88Å; I31-L34 PolarHBondContact O-N 2.91Å; I31-S35 PolarHBondContact O-N 3.43Å; I31-S35 PolarHBondContact O-OG 3.39Å
32	F	42.1	Very low	37.1	Very low	110 Å²	110	113.2 Å²	113.2	48%	0.482	62%	0.619	S	S	.	*	H	α-helix	trans	-62	-32	177.7	-162.7	-91.8	0	0	0	113.1	G28 S35	G28-F32 WeakPolarHBondContact O-CB 3.2Å; G28-F32 PolarHBondContact O-N 2.97Å; F32-S35 WeakPolarHBondContact CA-OG 3.48Å; F32-S35 PolarHBondContact O-OG 2.8Å
33	L	38.4	Very low	37.2	Very low	71 Å²	71	115.5 Å²	115.5	37%	0.372	63%	0.63	S	S	.	*	H	α-helix	trans	-78	-26	173.5	-74.7	168.4	0	0	0	113.6	I29 I30 I31 V730	I29-L33 HydrophobicContact CG2-CD1 4.15Å; I29-L33 WeakPolarHBondContact O-CG 3.33Å; I29-L33 PolarHBondContact O-N 3.16Å; I30-L33 PolarHBondContact O-N 2.94Å; I31-L33 VanDerWaalsContact C-N 3.27Å; I31-L33 PolarHBondContact O-N 2.88Å; L33-V730 HydrophobicContact CD1-CG1 4.26Å
34	L	37.7	Very low	37.2	Very low	121 Å²	121	113.2 Å²	113.2	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-79.5	-31.8	175.7	-77.3	166.2	0	0	0	112.5	I30 I31 L36	I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.01Å; I31-L34 PolarHBondContact O-N 2.91Å; L34-L36 PolarHBondContact O-N 2.8Å
35	S	40.8	Very low	37.1	Very low	77 Å²	77	112.9 Å²	112.9	54%	0.538	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.9	-7.3	176.1	45.4	0	0	0	0	114.9	I31 F32	I31-S35 PolarHBondContact O-N 3.43Å; I31-S35 PolarHBondContact O-OG 3.39Å; F32-S35 WeakPolarHBondContact CA-OG 3.48Å; F32-S35 PolarHBondContact O-OG 2.8Å
36	L	38.8	Very low	37.2	Very low	125 Å²	125	109.4 Å²	109.4	65%	0.654	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	2.1	-178.2	-81.2	166.1	0	0	0	114.7	L34	L34-L36 PolarHBondContact O-N 2.8Å
37	L	34.2	Very low	37.6	Very low	147 Å²	147	109 Å²	109	77%	0.77	63%	0.627	S	S	*	*	S	Bend	trans	-135.8	-5.2	-165.5	-88.5	171.6	0	0	0	118.4
38	V	32.9	Very low	38.6	Very low	116 Å²	116	113 Å²	113	70%	0.703	64%	0.638	S	S	*	*			trans	-141.3	98.6	-178.3	-171.4	0	0	0	0	113.1	F40	V38-F40 HydrophobicContact CG1-CB 4.09Å; V38-F40 PolarHBondContact O-N 3.49Å
39	D	33.1	Very low	40.2	Very low	164 Å²	164	118.6 Å²	118.6	88%	0.877	66%	0.657	S	S	*	*			trans	-73.1	98.3	149.5	-90.5	-49.8	0	0	0	108.7
40	F	27.9	Very low	42.4	Very low	184 Å²	184	115.8 Å²	115.8	81%	0.807	64%	0.643	S	S	*	*			trans	-164.9	137.3	156.5	-116.7	-73	0	0	0	111.7	V38 V42	V38-F40 HydrophobicContact CG1-CB 4.09Å; V38-F40 PolarHBondContact O-N 3.49Å; F40-V42 PolarHBondContact O-N 2.84Å
41	S	37.5	Very low	44.8	Very low	127 Å²	127	112.9 Å²	112.9	89%	0.888	63%	0.627	S	S	*	*			trans	-71.9	93.2	-176.8	-53.4	0	0	0	0	112.8
42	V	28.6	Very low	47.2	Very low	120 Å²	120	108.4 Å²	108.4	73%	0.727	60%	0.604	S	S	*	*			trans	-132.7	136	169	-176.1	0	0	0	0	110	F40 Q44	F40-V42 PolarHBondContact O-N 2.84Å; V42-Q44 PolarHBondContact O-N 3.08Å
43	T	33.9	Very low	49.6	Very low	131 Å²	131	105.6 Å²	105.6	80%	0.804	60%	0.596	S	S	*	*			trans	-56.3	127.7	178.6	47.5	0	0	0	0	112.4	P45	T43-P45 WeakPolarHBondContact O-CD 3.34Å
44	Q	31.7	Very low	52.2	Low	140 Å²	140	104.1 Å²	104.1	65%	0.654	59%	0.585	S	S	*	*			trans	-64.9	123.6	-178.9	-71	-174.9	-8.8	0	0	112.6	V42 G46	V42-Q44 PolarHBondContact O-N 3.08Å; Q44-G46 PolarHBondContact O-N 3Å; Q44-G46 VanDerWaalsContact O-N 3.11Å
45	P	34.4	Very low	54.7	Low	138 Å²	138	99.8 Å²	99.8	90%	0.896	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	83.7	172.6	33.4	-32.9	0	0	0	110.3	T43	T43-P45 WeakPolarHBondContact O-CD 3.34Å
46	G	38.3	Very low	57	Low	66 Å²	66	100.4 Å²	100.4	68%	0.68	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	169.8	-2.4	176.1	0	0	0	0	0	119.9	Q44 Q48	Q44-G46 PolarHBondContact O-N 3Å; Q44-G46 VanDerWaalsContact O-N 3.11Å; G46-Q48 PolarHBondContact O-N 2.95Å
47	Q	49.1	Very low	59.4	Low	68 Å²	68	100 Å²	100	32%	0.318	58%	0.578	S	S	.	*			trans	-61.6	129.6	170.3	-79.9	-176.9	-11.2	0	0	109.8
48	Q	61	Low	62.1	Low	110 Å²	110	93.7 Å²	93.7	51%	0.514	55%	0.547	S	S	.	.			trans	-70.6	148.4	159.1	-64.9	178.7	-153.3	0	0	108.3	G46 N50 Q51	G46-Q48 PolarHBondContact O-N 2.95Å; Q48-N50 WeakPolarHBondContact CB-OD1 3.42Å; Q48-N50 PolarHBondContact NE2-OD1 3.08Å; Q48-N50 PolarHBondContact O-N 2.98Å; Q48-Q51 HydrophobicContact CB-CB 4.5Å; Q48-Q51 HydrophobicContact CB-CG 4.02Å; Q48-Q51 PolarHBondContact O-N 2.85Å
49	D	75.6	Confident	64.9	Low	163 Å²	163	92.9 Å²	92.9	87%	0.872	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.9	-173.9	-54.7	-59.7	0	0	0	113.8
50	N	89.7	Confident	67.8	Low	41 Å²	41	91.9 Å²	91.9	22%	0.219	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.4	178.2	79.6	-68.6	0	0	0	114.8	Q48 V69 T70 E71	Q48-N50 WeakPolarHBondContact CB-OD1 3.42Å; Q48-N50 PolarHBondContact NE2-OD1 3.08Å; Q48-N50 PolarHBondContact O-N 2.98Å; N50-V69 WeakPolarHBondContact O-CA 3.44Å; N50-V69 WeakPolarHBondContact O-CG1 3.36Å; N50-T70 PolarHBondContact ND2-OG1 3.5Å; N50-T70 PolarHBondContact O-N 2.84Å; N50-E71 PolarHBondContact ND2-OE1 2.86Å; N50-E71 PolarHBondContact O-N 3.03Å; N50-E71 VanDerWaalsContact O-N 3.08Å
51	Q	92.1	Very high	70.9	Confident	35 Å²	35	84 Å²	84	16%	0.164	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139	-172.3	-62.2	-174.2	-40	0	0	112.9	Q48 R66 E71 F73	Q48-Q51 HydrophobicContact CB-CB 4.5Å; Q48-Q51 HydrophobicContact CB-CG 4.02Å; Q48-Q51 PolarHBondContact O-N 2.85Å; Q51-R66 PolarHBondContact O-NH2 3.11Å; Q51-E71 WeakPolarHBondContact CA-O 3.37Å; Q51-E71 HydrophobicContact CG-CB 4.12Å; Q51-E71 HydrophobicContact CG-CG 4.46Å; Q51-E71 PolarHBondContact NE2-OE2 2.66Å; Q51-F73 HydrophobicContact CB-CE2 4.17Å; Q51-F73 HydrophobicContact CG-CE2 4.12Å
52	E	93.3	Very high	73.4	Confident	22 Å²	22	79.8 Å²	79.8	10%	0.103	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.5	171.8	-166.6	157.5	176.9	0	0	112.6	Y54 V65 R66 V69 E71 V72 F73	E52-Y54 HydrophobicContact CG-CE1 4.32Å; E52-Y54 HydrophobicContact CG-CE2 4.01Å; E52-Y54 PolarHBondContact OE1-OH 3.25Å; E52-V65 HydrophobicContact CB-CG1 3.89Å; E52-V65 HydrophobicContact CG-CG1 4.35Å; E52-V65 WeakPolarHBondContact OE2-CG1 3.39Å; E52-R66 IonicContact OE1-NE 3.42Å; E52-R66 PolarHBondContact OE1-NE 3.23Å; E52-R66 VanDerWaalsContact OE2-CB 3.25Å; E52-R66 WeakPolarHBondContact OE2-CB 3.47Å; E52-R66 WeakPolarHBondContact OE2-CD 3.2Å; E52-R66 WeakPolarHBondContact OE2-CG 3.48Å; E52-R66 IonicContact OE2-CZ 3.6Å; E52-R66 PolarHBondContact OE2-N 3.07Å; E52-R66 IonicContact OE2-NE 2.76Å; E52-R66 PolarHBondContact OE2-NE 3.28Å; E52-R66 IonicContact OE2-NH2 3.25Å; E52-V69 HydrophobicContact CB-CG1 3.87Å; E52-V69 HydrophobicContact CB-CG2 4.11Å; E52-E71 PolarHBondContact N-O 3.34Å; E52-V72 WeakPolarHBondContact O-CA 3.49Å; E52-F73 WeakPolarHBondContact O-CD2 3.41Å; E52-F73 PolarHBondContact O-N 2.92Å
53	V	92.8	Very high	76	Confident	52 Å²	52	84.9 Å²	84.9	32%	0.315	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.2	-170.3	-172.9	0	0	0	0	110	F73	V53-F73 CarbonylContact C-O 3.12Å; V53-F73 WeakPolarHBondContact CA-O 3.48Å; V53-F73 HydrophobicContact CB-CB 4.47Å; V53-F73 HydrophobicContact CG1-CB 4.26Å; V53-F73 HydrophobicContact CG2-CB 4.19Å; V53-F73 HydrophobicContact CG2-CD2 4.13Å; V53-F73 HydrophobicContact CG2-CG 4.41Å
54	Y	92.5	Very high	78.4	Confident	40 Å²	40	83.1 Å²	83.1	16%	0.157	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.6	176.9	-61.3	-70.2	0	0	0	109.9	E52 P62 V72 F73 F74 V75 S77	E52-Y54 HydrophobicContact CG-CE1 4.32Å; E52-Y54 HydrophobicContact CG-CE2 4.01Å; E52-Y54 PolarHBondContact OE1-OH 3.25Å; Y54-P62 HydrophobicContact CE1-CG 3.97Å; Y54-P62 HydrophobicContact CE2-CG 3.85Å; Y54-P62 VanDerWaalsContact CZ-CG 3.48Å; Y54-P62 WeakPolarHBondContact OH-CG 3.44Å; Y54-V72 HydrophobicContact CD2-CG2 3.93Å; Y54-V72 HydrophobicContact CE2-CG2 3.59Å; Y54-F73 PolarHBondContact N-O 3.02Å; Y54-F74 AromaticContact CD2-CD1 3.65Å; Y54-F74 HydrophobicContact CD2-CD1 3.65Å; Y54-F74 AromaticContact CD2-CE1 3.19Å; Y54-F74 HydrophobicContact CD2-CE1 3.19Å; Y54-F74 HydrophobicContact CD2-CE2 4.43Å; Y54-F74 HydrophobicContact CD2-CG 4.44Å; Y54-F74 AromaticContact CD2-CZ 3.64Å; Y54-F74 HydrophobicContact CD2-CZ 3.64Å; Y54-F74 AromaticContact CE2-CE1 3.88Å; Y54-F74 HydrophobicContact CE2-CE1 3.88Å; Y54-F74 AromaticContact CE2-CZ 3.97Å; Y54-F74 HydrophobicContact CE2-CZ 3.97Å; Y54-F74 AromaticContact CG-CD1 3.95Å; Y54-F74 HydrophobicContact CG-CD1 3.95Å; Y54-F74 AromaticContact CG-CE1 3.76Å; Y54-F74 HydrophobicContact CG-CE1 3.76Å; Y54-V75 PolarHBondContact O-N 3.47Å; Y54-S77 PolarHBondContact O-OG 3.33Å
55	G	91.2	Very high	81.1	Confident	30 Å²	30	77 Å²	77	31%	0.309	44%	0.435	S	S	.	.			trans	-105.8	-152.4	-173.5	0	0	0	0	0	114	S57 A58 V75 S77	G55-S57 PolarHBondContact O-N 3.22Å; G55-S57 VanDerWaalsContact O-N 3.14Å; G55-A58 PolarHBondContact O-N 2.81Å; G55-V75 CarbonylContact C-O 3.41Å; G55-V75 WeakPolarHBondContact CA-O 3.26Å; G55-S77 WeakPolarHBondContact O-CA 3.38Å; G55-S77 WeakPolarHBondContact O-CB 3.31Å; G55-S77 PolarHBondContact O-OG 2.93Å
56	V	89.2	Confident	83.8	Confident	90 Å²	90	75.5 Å²	75.5	55%	0.545	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	-179.2	-171	0	0	0	0	113.9	A58 N76	V56-A58 VanDerWaalsContact C-N 3.33Å; V56-N76 WeakPolarHBondContact CA-O 3.37Å; V56-N76 HydrophobicContact CG2-CB 3.99Å
57	S	89.4	Confident	86	Confident	117 Å²	117	78.8 Å²	78.8	82%	0.818	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.8	177.5	52.9	0	0	0	0	114.6	G55	G55-S57 PolarHBondContact O-N 3.22Å; G55-S57 VanDerWaalsContact O-N 3.14Å
58	A	90	Very high	87.8	Confident	13 Å²	13	78.6 Å²	78.6	11%	0.107	44%	0.437	C	S	.	.			trans	-85.2	118.7	-179.7	0	0	0	0	0	111.6	G55 V56 S77 R78 I79	G55-A58 PolarHBondContact O-N 2.81Å; V56-A58 VanDerWaalsContact C-N 3.33Å; A58-S77 WeakPolarHBondContact O-CB 3.24Å; A58-R78 PolarHBondContact O-N 3Å; A58-I79 HydrophobicContact CB-CD1 4.37Å
59	T	91.8	Very high	89.4	Confident	99 Å²	99	73.7 Å²	73.7	61%	0.607	42%	0.415	S	S	*	.	S	Bend	trans	-104.9	-18.3	173.9	52.8	0	0	0	0	112.9	R78	T59-R78 HydrophobicContact CG2-CB 4.41Å
60	E	92.9	Very high	90.3	Very high	144 Å²	144	67.6 Å²	67.6	67%	0.673	38%	0.384	S	S	*	.	S	Bend	trans	-138.1	165.2	179.7	62.2	175.1	-159.2	0	0	110.9
61	I	93.8	Very high	90.6	Very high	18 Å²	18	67.6 Å²	67.6	9%	0.092	38%	0.383	C	S	.	.			trans	-86	126.5	172.7	-62.9	169	0	0	0	108.2	F74 I79 I82 A86 F87 F98	I61-F74 HydrophobicContact CB-CZ 4.42Å; I61-F74 HydrophobicContact CG1-CE1 4.26Å; I61-F74 HydrophobicContact CG1-CZ 4.13Å; I61-F74 HydrophobicContact CG2-CZ 3.97Å; I61-I79 HydrophobicContact CD1-CG2 4.36Å; I61-I79 HydrophobicContact CG1-CD1 4.14Å; I61-I79 HydrophobicContact CG1-CG2 4.06Å; I61-I82 HydrophobicContact CD1-CB 4.34Å; I61-I82 HydrophobicContact CD1-CG1 4.42Å; I61-I82 HydrophobicContact CD1-CG2 3.74Å; I61-A86 HydrophobicContact CD1-CB 3.83Å; I61-A86 HydrophobicContact CG2-CB 4.31Å; I61-F87 HydrophobicContact CD1-CE2 4.46Å; I61-F87 HydrophobicContact CD1-CZ 4.2Å; I61-F87 HydrophobicContact CG2-CD1 4.35Å; I61-F87 HydrophobicContact CG2-CE1 3.86Å; I61-F87 HydrophobicContact CG2-CZ 4.15Å; I61-F98 HydrophobicContact CD1-CE1 3.94Å; I61-F98 HydrophobicContact CD1-CZ 3.57Å; I61-F98 HydrophobicContact CG1-CE1 4.21Å; I61-F98 HydrophobicContact CG1-CZ 4.18Å
62	P	89.5	Confident	90.8	Very high	38 Å²	38	66 Å²	66	25%	0.247	38%	0.375	C	S	.	.			trans	-70.5	138.3	178.8	27.2	-31.6	0	0	0	111.2	Y54 T64	Y54-P62 HydrophobicContact CE1-CG 3.97Å; Y54-P62 HydrophobicContact CE2-CG 3.85Å; Y54-P62 VanDerWaalsContact CZ-CG 3.48Å; Y54-P62 WeakPolarHBondContact OH-CG 3.44Å; P62-T64 PolarHBondContact O-N 3.14Å
63	R	83.5	Confident	91	Very high	227 Å²	227	66 Å²	66	86%	0.857	38%	0.375	S	S	*	.	S	Bend	trans	-58.1	-22.5	-174.1	-59.3	-178.3	-177.1	-171.7	-0.5	115
64	T	84.5	Confident	91.2	Very high	94 Å²	94	63.5 Å²	63.5	58%	0.577	36%	0.36	S	S	*	.	S	Bend	trans	-146.7	125.4	178.6	50.4	0	0	0	0	108.9	P62	P62-T64 PolarHBondContact O-N 3.14Å
65	V	89.3	Confident	91.3	Very high	12 Å²	12	63.6 Å²	63.6	7%	0.073	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-75.8	161.2	168.1	-166.6	0	0	0	0	108.8	E52 V69 V72 S90 L93	E52-V65 HydrophobicContact CB-CG1 3.89Å; E52-V65 HydrophobicContact CG-CG1 4.35Å; E52-V65 WeakPolarHBondContact OE2-CG1 3.39Å; V65-V69 HydrophobicContact CG1-CB 3.75Å; V65-V69 HydrophobicContact CG1-CG1 3.55Å; V65-V69 HydrophobicContact CG1-CG2 4.2Å; V65-V72 HydrophobicContact CG1-CG2 4.38Å; V65-V72 HydrophobicContact CG2-CG2 4.31Å; V65-S90 PolarHBondContact N-OG 3.04Å; V65-L93 HydrophobicContact CG2-CD1 4.39Å
66	R	89.5	Confident	91.4	Very high	107 Å²	107	64.5 Å²	64.5	40%	0.404	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.6	143.2	-179.6	-68.4	170.1	-56.5	176.7	7.9	111.7	Q51 E52 G68 V69	Q51-R66 PolarHBondContact O-NH2 3.11Å; E52-R66 IonicContact OE1-NE 3.42Å; E52-R66 PolarHBondContact OE1-NE 3.23Å; E52-R66 VanDerWaalsContact OE2-CB 3.25Å; E52-R66 WeakPolarHBondContact OE2-CB 3.47Å; E52-R66 WeakPolarHBondContact OE2-CD 3.2Å; E52-R66 WeakPolarHBondContact OE2-CG 3.48Å; E52-R66 IonicContact OE2-CZ 3.6Å; E52-R66 PolarHBondContact OE2-N 3.07Å; E52-R66 IonicContact OE2-NE 2.76Å; E52-R66 PolarHBondContact OE2-NE 3.28Å; E52-R66 IonicContact OE2-NH2 3.25Å; R66-G68 PolarHBondContact O-N 3.42Å; R66-V69 HydrophobicContact CB-CG2 3.95Å; R66-V69 WeakPolarHBondContact O-CB 3.3Å; R66-V69 WeakPolarHBondContact O-CG2 3.45Å; R66-V69 PolarHBondContact O-N 2.88Å; R66-V69 VanDerWaalsContact O-N 3.16Å
67	P	85.6	Confident	91.5	Very high	134 Å²	134	60.2 Å²	60.2	87%	0.87	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	131.4	177.4	-25.9	34.7	0	0	0	112.6
68	G	86.9	Confident	91.8	Very high	64 Å²	64	60.8 Å²	60.8	66%	0.66	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-6.7	-178.8	0	0	0	0	0	115.3	R66	R66-G68 PolarHBondContact O-N 3.42Å
69	V	94.1	Very high	92	Very high	8 Å²	8	60.2 Å²	60.2	5%	0.048	32%	0.316	C	S	.	.			trans	-74.1	130.5	172.4	175.6	0	0	0	0	110.4	N50 E52 V65 R66 E71 L93	N50-V69 WeakPolarHBondContact O-CA 3.44Å; N50-V69 WeakPolarHBondContact O-CG1 3.36Å; E52-V69 HydrophobicContact CB-CG1 3.87Å; E52-V69 HydrophobicContact CB-CG2 4.11Å; V65-V69 HydrophobicContact CG1-CB 3.75Å; V65-V69 HydrophobicContact CG1-CG1 3.55Å; V65-V69 HydrophobicContact CG1-CG2 4.2Å; R66-V69 HydrophobicContact CB-CG2 3.95Å; R66-V69 WeakPolarHBondContact O-CB 3.3Å; R66-V69 WeakPolarHBondContact O-CG2 3.45Å; R66-V69 PolarHBondContact O-N 2.88Å; R66-V69 VanDerWaalsContact O-N 3.16Å; V69-E71 VanDerWaalsContact CG1-O 3.26Å; V69-E71 WeakPolarHBondContact CG1-O 3.32Å; V69-L93 HydrophobicContact CG1-CD2 4.47Å
70	T	95.1	Very high	92.2	Very high	35 Å²	35	60.2 Å²	60.2	22%	0.215	31%	0.308	C	S	.	.			trans	-114.3	-12.9	176	63	0	0	0	0	113	N50 L93 E94 K95	N50-T70 PolarHBondContact ND2-OG1 3.5Å; N50-T70 PolarHBondContact O-N 2.84Å; T70-L93 CarbonylContact O-C 3.59Å; T70-L93 WeakPolarHBondContact O-CA 3.39Å; T70-E94 PolarHBondContact O-N 2.7Å; T70-K95 PolarHBondContact O-N 3.37Å
71	E	96.8	Very high	92.4	Very high	41 Å²	41	55.8 Å²	55.8	19%	0.192	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.2	179.2	-50.8	173.8	-140.1	0	0	110.1	N50 Q51 E52 V69 F73 K95	N50-E71 PolarHBondContact ND2-OE1 2.86Å; N50-E71 PolarHBondContact O-N 3.03Å; N50-E71 VanDerWaalsContact O-N 3.08Å; Q51-E71 WeakPolarHBondContact CA-O 3.37Å; Q51-E71 HydrophobicContact CG-CB 4.12Å; Q51-E71 HydrophobicContact CG-CG 4.46Å; Q51-E71 PolarHBondContact NE2-OE2 2.66Å; E52-E71 PolarHBondContact N-O 3.34Å; V69-E71 VanDerWaalsContact CG1-O 3.26Å; V69-E71 WeakPolarHBondContact CG1-O 3.32Å; E71-F73 HydrophobicContact CB-CE2 3.6Å; E71-F73 HydrophobicContact CB-CZ 4.04Å; E71-F73 WeakPolarHBondContact OE2-CZ 3.39Å; E71-K95 WeakPolarHBondContact CA-O 3.43Å; E71-K95 HydrophobicContact CB-CB 4.05Å; E71-K95 HydrophobicContact CG-CB 3.91Å; E71-K95 HydrophobicContact CG-CD 4.39Å
72	V	96.2	Very high	92.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.1	178.1	67.5	0	0	0	0	111.7	E52 Y54 V65 F74 F87 L93 K95 V96 E97	E52-V72 WeakPolarHBondContact O-CA 3.49Å; Y54-V72 HydrophobicContact CD2-CG2 3.93Å; Y54-V72 HydrophobicContact CE2-CG2 3.59Å; V65-V72 HydrophobicContact CG1-CG2 4.38Å; V65-V72 HydrophobicContact CG2-CG2 4.31Å; V72-F74 HydrophobicContact CG1-CE2 4.17Å; V72-F74 HydrophobicContact CG2-CE2 3.72Å; V72-F74 HydrophobicContact CG2-CZ 3.86Å; V72-F87 HydrophobicContact CG1-CE1 3.9Å; V72-L93 HydrophobicContact CB-CD2 4.08Å; V72-L93 HydrophobicContact CG1-CD1 3.9Å; V72-L93 HydrophobicContact CG1-CD2 3.94Å; V72-K95 PolarHBondContact N-O 3.46Å; V72-V96 HydrophobicContact CG1-CB 4.25Å; V72-V96 HydrophobicContact CG1-CG1 4.12Å; V72-V96 HydrophobicContact CG1-CG2 3.86Å; V72-V96 CarbonylContact O-C 3.52Å; V72-V96 WeakPolarHBondContact O-CA 3.16Å; V72-E97 PolarHBondContact O-N 2.87Å
73	F	96.4	Very high	92.9	Very high	23 Å²	23	55.5 Å²	55.5	10%	0.101	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.9	-173	-56.9	-100.7	0	0	0	110.2	Q51 E52 V53 Y54 E71 V75 E97	Q51-F73 HydrophobicContact CB-CE2 4.17Å; Q51-F73 HydrophobicContact CG-CE2 4.12Å; E52-F73 WeakPolarHBondContact O-CD2 3.41Å; E52-F73 PolarHBondContact O-N 2.92Å; V53-F73 CarbonylContact C-O 3.12Å; V53-F73 WeakPolarHBondContact CA-O 3.48Å; V53-F73 HydrophobicContact CB-CB 4.47Å; V53-F73 HydrophobicContact CG1-CB 4.26Å; V53-F73 HydrophobicContact CG2-CB 4.19Å; V53-F73 HydrophobicContact CG2-CD2 4.13Å; V53-F73 HydrophobicContact CG2-CG 4.41Å; Y54-F73 PolarHBondContact N-O 3.02Å; E71-F73 HydrophobicContact CB-CE2 3.6Å; E71-F73 HydrophobicContact CB-CZ 4.04Å; E71-F73 WeakPolarHBondContact OE2-CZ 3.39Å; F73-V75 HydrophobicContact CB-CG2 4.29Å; F73-E97 CarbonylContact C-O 3.48Å; F73-E97 HydrophobicContact CD1-CB 3.85Å; F73-E97 HydrophobicContact CD1-CG 3.75Å; F73-E97 WeakPolarHBondContact CD1-OE2 3.35Å; F73-E97 HydrophobicContact CE1-CB 4.47Å; F73-E97 VanDerWaalsContact CE1-CD 3.49Å; F73-E97 HydrophobicContact CE1-CG 3.86Å; F73-E97 VanDerWaalsContact CE1-OE2 3.29Å; F73-E97 WeakPolarHBondContact CE1-OE2 3.25Å
74	F	96.3	Very high	93.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.2	170.7	-59	-88.3	0	0	0	107.8	Y54 I61 V72 I79 F87 E97 F98 M99 T101	Y54-F74 AromaticContact CD2-CD1 3.65Å; Y54-F74 HydrophobicContact CD2-CD1 3.65Å; Y54-F74 AromaticContact CD2-CE1 3.19Å; Y54-F74 HydrophobicContact CD2-CE1 3.19Å; Y54-F74 HydrophobicContact CD2-CE2 4.43Å; Y54-F74 HydrophobicContact CD2-CG 4.44Å; Y54-F74 AromaticContact CD2-CZ 3.64Å; Y54-F74 HydrophobicContact CD2-CZ 3.64Å; Y54-F74 AromaticContact CE2-CE1 3.88Å; Y54-F74 HydrophobicContact CE2-CE1 3.88Å; Y54-F74 AromaticContact CE2-CZ 3.97Å; Y54-F74 HydrophobicContact CE2-CZ 3.97Å; Y54-F74 AromaticContact CG-CD1 3.95Å; Y54-F74 HydrophobicContact CG-CD1 3.95Å; Y54-F74 AromaticContact CG-CE1 3.76Å; Y54-F74 HydrophobicContact CG-CE1 3.76Å; I61-F74 HydrophobicContact CB-CZ 4.42Å; I61-F74 HydrophobicContact CG1-CE1 4.26Å; I61-F74 HydrophobicContact CG1-CZ 4.13Å; I61-F74 HydrophobicContact CG2-CZ 3.97Å; V72-F74 HydrophobicContact CG1-CE2 4.17Å; V72-F74 HydrophobicContact CG2-CE2 3.72Å; V72-F74 HydrophobicContact CG2-CZ 3.86Å; F74-I79 HydrophobicContact CB-CD1 4.22Å; F74-I79 HydrophobicContact CD1-CD1 3.26Å; F74-I79 HydrophobicContact CE1-CD1 3.8Å; F74-I79 HydrophobicContact CG-CD1 3.9Å; F74-F87 AromaticContact CE2-CE1 3.96Å; F74-F87 HydrophobicContact CE2-CE1 3.96Å; F74-F87 AromaticContact CE2-CZ 3.96Å; F74-F87 HydrophobicContact CE2-CZ 3.96Å; F74-F87 HydrophobicContact CZ-CE1 4.25Å; F74-E97 PolarHBondContact N-O 3.29Å; F74-F98 HydrophobicContact CB-CD1 3.73Å; F74-F98 HydrophobicContact CB-CE1 4Å; F74-F98 HydrophobicContact CB-CG 4.4Å; F74-F98 HydrophobicContact CD1-CE1 4.43Å; F74-F98 AromaticContact CD2-CD1 3.84Å; F74-F98 HydrophobicContact CD2-CD1 3.84Å; F74-F98 HydrophobicContact CD2-CD2 4.43Å; F74-F98 AromaticContact CD2-CE1 3.41Å; F74-F98 HydrophobicContact CD2-CE1 3.41Å; F74-F98 VanDerWaalsContact CD2-CE1 3.41Å; F74-F98 HydrophobicContact CD2-CE2 4.08Å; F74-F98 HydrophobicContact CD2-CG 4.32Å; F74-F98 AromaticContact CD2-CZ 3.55Å; F74-F98 HydrophobicContact CD2-CZ 3.55Å; F74-F98 AromaticContact CE2-CE1 3.99Å; F74-F98 HydrophobicContact CE2-CE1 3.99Å; F74-F98 HydrophobicContact CE2-CE2 4.38Å; F74-F98 AromaticContact CE2-CZ 3.76Å; F74-F98 HydrophobicContact CE2-CZ 3.76Å; F74-F98 AromaticContact CG-CD1 3.95Å; F74-F98 HydrophobicContact CG-CD1 3.95Å; F74-F98 AromaticContact CG-CE1 3.69Å; F74-F98 HydrophobicContact CG-CE1 3.69Å; F74-F98 HydrophobicContact CG-CZ 4.29Å; F74-F98 WeakPolarHBondContact O-CA 3.48Å; F74-M99 PolarHBondContact O-N 3.45Å; F74-T101 HydrophobicContact CB-CG2 3.77Å; F74-T101 VanDerWaalsContact O-CG2 3.24Å; F74-T101 WeakPolarHBondContact O-CG2 3.37Å
75	V	94.8	Very high	93.9	Very high	41 Å²	41	44.9 Å²	44.9	25%	0.248	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123	-169.3	-171.7	0	0	0	0	110.2	Y54 G55 F73 S77 M99	Y54-V75 PolarHBondContact O-N 3.47Å; G55-V75 CarbonylContact C-O 3.41Å; G55-V75 WeakPolarHBondContact CA-O 3.26Å; F73-V75 HydrophobicContact CB-CG2 4.29Å; V75-S77 PolarHBondContact N-OG 3.41Å; V75-S77 PolarHBondContact O-N 2.65Å; V75-S77 VanDerWaalsContact O-N 3.16Å; V75-M99 WeakPolarHBondContact CA-O 3.28Å; V75-M99 HydrophobicContact CG2-CE 3.87Å
76	N	93.2	Very high	94.1	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.262	26%	0.261	S	S	.	.	S	Bend	trans	58.1	22.3	-177.1	-54.7	5.2	0	0	0	113.3	V56 M99 E100	V56-N76 WeakPolarHBondContact CA-O 3.37Å; V56-N76 HydrophobicContact CG2-CB 3.99Å; N76-M99 PolarHBondContact N-O 3.2Å; N76-E100 CarbonylContact C-O 3.48Å; N76-E100 VanDerWaalsContact CA-O 3.24Å; N76-E100 WeakPolarHBondContact CA-O 3.42Å
77	S	93	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.007	24%	0.243	C	C	.	.			trans	-79.5	175.2	-179.3	-51.1	0	0	0	0	112.2	Y54 G55 A58 V75 T101	Y54-S77 PolarHBondContact O-OG 3.33Å; G55-S77 WeakPolarHBondContact O-CA 3.38Å; G55-S77 WeakPolarHBondContact O-CB 3.31Å; G55-S77 PolarHBondContact O-OG 2.93Å; A58-S77 WeakPolarHBondContact O-CB 3.24Å; V75-S77 PolarHBondContact N-OG 3.41Å; V75-S77 PolarHBondContact O-N 2.65Å; V75-S77 VanDerWaalsContact O-N 3.16Å; S77-T101 CarbonylContact O-C 3.54Å; S77-T101 WeakPolarHBondContact O-CA 3.48Å
78	R	94.3	Very high	94.6	Very high	128 Å²	128	37.2 Å²	37.2	48%	0.483	23%	0.231	S	C	.	.			trans	-113.5	38.7	179.3	-59.5	-178.7	-177.3	-93	4.9	112.6	A58 T59 H80 T101 E102	A58-R78 PolarHBondContact O-N 3Å; T59-R78 HydrophobicContact CG2-CB 4.41Å; R78-H80 PolarHBondContact O-N 3.34Å; R78-H80 VanDerWaalsContact O-N 3.16Å; R78-H80 PolarHBondContact O-ND1 3.05Å; R78-T101 CarbonylContact C-O 3.39Å; R78-E102 IonicContact NH1-OE1 3.55Å; R78-E102 IonicContact NH1-OE2 3.9Å
79	I	95.5	Very high	94.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	22%	0.22	C	C	.	.			trans	-86.9	87.4	-173.5	-59.5	175.2	0	0	0	109.1	A58 I61 F74 T81 F98 T101 T103	A58-I79 HydrophobicContact CB-CD1 4.37Å; I61-I79 HydrophobicContact CD1-CG2 4.36Å; I61-I79 HydrophobicContact CG1-CD1 4.14Å; I61-I79 HydrophobicContact CG1-CG2 4.06Å; F74-I79 HydrophobicContact CB-CD1 4.22Å; F74-I79 HydrophobicContact CD1-CD1 3.26Å; F74-I79 HydrophobicContact CE1-CD1 3.8Å; F74-I79 HydrophobicContact CG-CD1 3.9Å; I79-T81 VanDerWaalsContact C-N 3.3Å; I79-T81 WeakPolarHBondContact CG2-O 3.34Å; I79-T81 PolarHBondContact O-N 3.34Å; I79-F98 HydrophobicContact CD1-CE1 4.34Å; I79-F98 HydrophobicContact CG2-CE1 4.26Å; I79-T101 CarbonylContact C-O 3.57Å; I79-T101 PolarHBondContact N-O 2.86Å; I79-T101 VanDerWaalsContact O-O 3.09Å; I79-T103 VanDerWaalsContact O-CA 3.25Å; I79-T103 WeakPolarHBondContact O-CA 3.47Å; I79-T103 WeakPolarHBondContact O-CB 3.35Å; I79-T103 PolarHBondContact O-OG1 3.38Å
80	H	95.3	Very high	94.7	Very high	99 Å²	99	36.4 Å²	36.4	46%	0.458	22%	0.222	S	C	.	.			trans	-64.2	-32.2	-173.4	-73.9	55	0	0	0	113.6	R78 E102 T103 N104 T105	R78-H80 PolarHBondContact O-N 3.34Å; R78-H80 VanDerWaalsContact O-N 3.16Å; R78-H80 PolarHBondContact O-ND1 3.05Å; H80-E102 IonicContact CE1-OE2 3.43Å; H80-E102 PolarHBondContact CE1-OE2 2.87Å; H80-E102 VanDerWaalsContact CE1-OE2 3.25Å; H80-T103 WeakPolarHBondContact O-CA 3.21Å; H80-N104 PolarHBondContact O-N 2.92Å; H80-N104 PolarHBondContact O-ND2 2.9Å; H80-N104 VanDerWaalsContact O-ND2 3.11Å; H80-T105 PolarHBondContact O-N 3.43Å
81	T	96.3	Very high	94.6	Very high	50 Å²	50	37.8 Å²	37.8	31%	0.307	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.7	-178.2	-57.6	0	0	0	0	110	I79 P83 T105 E107	I79-T81 VanDerWaalsContact C-N 3.3Å; I79-T81 WeakPolarHBondContact CG2-O 3.34Å; I79-T81 PolarHBondContact O-N 3.34Å; T81-P83 WeakPolarHBondContact O-CD 3.36Å; T81-T105 WeakPolarHBondContact CA-O 3.45Å; T81-T105 HydrophobicContact CG2-CG2 4.14Å; T81-E107 HydrophobicContact CG2-CG 4.1Å
82	I	97	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	105.5	163.7	-51.6	177.2	0	0	0	107.2	I61 A86 F87 F98 T103 T105 I106 E107 A110 F111 I122	I61-I82 HydrophobicContact CD1-CB 4.34Å; I61-I82 HydrophobicContact CD1-CG1 4.42Å; I61-I82 HydrophobicContact CD1-CG2 3.74Å; I82-A86 HydrophobicContact CG2-CB 4.12Å; I82-F87 HydrophobicContact CG2-CE2 4.48Å; I82-F98 HydrophobicContact CD1-CD1 4.15Å; I82-F98 HydrophobicContact CD1-CD2 3.64Å; I82-F98 HydrophobicContact CD1-CE1 4Å; I82-F98 HydrophobicContact CD1-CE2 3.44Å; I82-F98 VanDerWaalsContact CD1-CE2 3.44Å; I82-F98 HydrophobicContact CD1-CG 3.99Å; I82-F98 HydrophobicContact CD1-CZ 3.65Å; I82-F98 HydrophobicContact CG1-CD1 4.45Å; I82-F98 HydrophobicContact CG1-CE1 4.02Å; I82-F98 HydrophobicContact CG1-CE2 4.2Å; I82-F98 HydrophobicContact CG1-CZ 3.87Å; I82-F98 HydrophobicContact CG2-CZ 4.33Å; I82-T103 HydrophobicContact CD1-CG2 4.2Å; I82-T103 HydrophobicContact CG1-CG2 3.87Å; I82-T105 PolarHBondContact N-O 3.29Å; I82-T105 VanDerWaalsContact N-O 3.07Å; I82-I106 HydrophobicContact CB-CG1 4.46Å; I82-I106 HydrophobicContact CB-CG2 4.34Å; I82-I106 HydrophobicContact CD1-CD1 4.44Å; I82-I106 HydrophobicContact CD1-CG1 4.15Å; I82-I106 HydrophobicContact CG1-CG1 4.47Å; I82-E107 PolarHBondContact O-N 3.46Å; I82-A110 HydrophobicContact CB-CB 4.43Å; I82-A110 HydrophobicContact CG2-CB 3.7Å; I82-F111 HydrophobicContact CD1-CZ 4.48Å; I82-I122 HydrophobicContact CD1-CD1 3.95Å
83	P	96.6	Very high	94.5	Very high	51 Å²	51	40.7 Å²	40.7	33%	0.331	25%	0.245	S	C	.	.			trans	-77.9	165.1	-173.9	32.2	-36.7	0	0	0	113.1	T81 A86 E107 A110	T81-P83 WeakPolarHBondContact O-CD 3.36Å; P83-A86 HydrophobicContact CG-CB 4.18Å; P83-A86 VanDerWaalsContact O-CB 3.3Å; P83-A86 WeakPolarHBondContact O-CB 3.34Å; P83-A86 PolarHBondContact O-N 3.02Å; P83-E107 VanDerWaalsContact CA-OE2 3.28Å; P83-E107 WeakPolarHBondContact CA-OE2 3.43Å; P83-A110 WeakPolarHBondContact O-CA 3.48Å; P83-A110 WeakPolarHBondContact O-CB 3.33Å
84	S	96.3	Very high	94.6	Very high	66 Å²	66	43 Å²	43	46%	0.462	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	134.8	175.9	-161.4	0	0	0	0	111	A86 E107 L108	S84-A86 VanDerWaalsContact C-N 3.26Å; S84-A86 PolarHBondContact O-N 3.08Å; S84-E107 PolarHBondContact N-OE2 3.18Å; S84-L108 WeakPolarHBondContact CB-O 3.47Å; S84-L108 PolarHBondContact OG-O 2.84Å
85	G	92.9	Very high	94.7	Very high	32 Å²	32	45.2 Å²	45.2	33%	0.33	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	17.9	-177.6	0	0	0	0	0	115.5	F87 A88 G109	G85-F87 PolarHBondContact O-N 2.87Å; G85-A88 WeakPolarHBondContact O-CB 3.5Å; G85-A88 PolarHBondContact O-N 3.47Å; G85-G109 PolarHBondContact N-O 2.81Å
86	A	93.7	Very high	94.8	Very high	11 Å²	11	43.3 Å²	43.3	9%	0.091	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-30.8	-177.3	0	0	0	0	0	115	I61 I82 P83 S84	I61-A86 HydrophobicContact CD1-CB 3.83Å; I61-A86 HydrophobicContact CG2-CB 4.31Å; I82-A86 HydrophobicContact CG2-CB 4.12Å; P83-A86 HydrophobicContact CG-CB 4.18Å; P83-A86 VanDerWaalsContact O-CB 3.3Å; P83-A86 WeakPolarHBondContact O-CB 3.34Å; P83-A86 PolarHBondContact O-N 3.02Å; S84-A86 VanDerWaalsContact C-N 3.26Å; S84-A86 PolarHBondContact O-N 3.08Å
87	F	94.6	Very high	95	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.018	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	16.8	-177.7	-58.2	-77.2	0	0	0	114.1	I61 V72 F74 I82 G85 G89 S90 L93 V96 F98 F111 L114	I61-F87 HydrophobicContact CD1-CE2 4.46Å; I61-F87 HydrophobicContact CD1-CZ 4.2Å; I61-F87 HydrophobicContact CG2-CD1 4.35Å; I61-F87 HydrophobicContact CG2-CE1 3.86Å; I61-F87 HydrophobicContact CG2-CZ 4.15Å; V72-F87 HydrophobicContact CG1-CE1 3.9Å; F74-F87 AromaticContact CE2-CE1 3.96Å; F74-F87 HydrophobicContact CE2-CE1 3.96Å; F74-F87 AromaticContact CE2-CZ 3.96Å; F74-F87 HydrophobicContact CE2-CZ 3.96Å; F74-F87 HydrophobicContact CZ-CE1 4.25Å; I82-F87 HydrophobicContact CG2-CE2 4.48Å; G85-F87 PolarHBondContact O-N 2.87Å; F87-G89 PolarHBondContact O-N 2.91Å; F87-G89 VanDerWaalsContact O-N 3.08Å; F87-S90 CarbonylContact O-C 3.51Å; F87-S90 PolarHBondContact O-N 2.94Å; F87-L93 HydrophobicContact CB-CD1 4.16Å; F87-L93 HydrophobicContact CD1-CD1 3.58Å; F87-L93 HydrophobicContact CE1-CD1 4.28Å; F87-L93 HydrophobicContact CG-CD1 4.08Å; F87-V96 HydrophobicContact CE1-CG1 4.4Å; F87-V96 HydrophobicContact CE2-CG1 4.08Å; F87-V96 HydrophobicContact CE2-CG2 4.47Å; F87-V96 HydrophobicContact CZ-CG1 3.69Å; F87-V96 HydrophobicContact CZ-CG2 4.35Å; F87-F98 HydrophobicContact CE2-CE2 4.31Å; F87-F98 HydrophobicContact CE2-CZ 4.35Å; F87-F98 AromaticContact CZ-CE2 3.98Å; F87-F98 HydrophobicContact CZ-CE2 3.98Å; F87-F98 AromaticContact CZ-CZ 3.83Å; F87-F98 HydrophobicContact CZ-CZ 3.83Å; F87-F111 HydrophobicContact CD2-CD1 4.02Å; F87-F111 HydrophobicContact CD2-CE1 4.21Å; F87-F111 HydrophobicContact CE2-CD1 4.04Å; F87-F111 AromaticContact CE2-CE1 3.74Å; F87-F111 HydrophobicContact CE2-CE1 3.74Å; F87-L114 HydrophobicContact CB-CD1 3.81Å; F87-L114 HydrophobicContact CB-CD2 3.83Å; F87-L114 HydrophobicContact CB-CG 4.17Å; F87-L114 HydrophobicContact CD2-CD1 4.07Å; F87-L114 HydrophobicContact CG-CD1 4.11Å
88	A	91.2	Very high	95.2	Very high	76 Å²	76	42 Å²	42	63%	0.628	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.8	-177	0	0	0	0	0	113.8	G85 S90	G85-A88 WeakPolarHBondContact O-CB 3.5Å; G85-A88 PolarHBondContact O-N 3.47Å; A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 3.25Å
89	G	90.2	Very high	95.3	Very high	41 Å²	41	38.5 Å²	38.5	42%	0.423	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.6	172.7	0	0	0	0	0	115.2	F87	F87-G89 PolarHBondContact O-N 2.91Å; F87-G89 VanDerWaalsContact O-N 3.08Å
90	S	93.4	Very high	95.2	Very high	15 Å²	15	42.8 Å²	42.8	11%	0.105	26%	0.256	C	S	.	.			trans	-148.9	60.6	-175	-59.6	0	0	0	0	113.3	V65 F87 A88 E92 L93 L114	V65-S90 PolarHBondContact N-OG 3.04Å; F87-S90 CarbonylContact O-C 3.51Å; F87-S90 PolarHBondContact O-N 2.94Å; A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 3.25Å; S90-E92 PolarHBondContact O-N 3.47Å; S90-E92 VanDerWaalsContact O-N 3.11Å; S90-L93 WeakPolarHBondContact O-CG 3.34Å; S90-L93 PolarHBondContact O-N 3.37Å; S90-L114 WeakPolarHBondContact O-CD2 3.49Å
91	P	93.3	Very high	95.2	Very high	64 Å²	64	38 Å²	38	42%	0.416	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.7	-178.7	30.8	-38.1	0	0	0	115.1	L93	P91-L93 VanDerWaalsContact C-N 3.29Å
92	E	94.2	Very high	95.1	Very high	101 Å²	101	39.5 Å²	39.5	47%	0.472	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.4	177.7	-64.1	-60.9	118.9	0	0	113.8	S90 E94 K116	S90-E92 PolarHBondContact O-N 3.47Å; S90-E92 VanDerWaalsContact O-N 3.11Å; E92-E94 PolarHBondContact O-N 3.17Å; E92-K116 IonicContact OE1-NZ 2.75Å; E92-K116 PolarHBondContact OE1-NZ 2.97Å; E92-K116 IonicContact OE2-NZ 2.65Å; E92-K116 PolarHBondContact OE2-NZ 2.99Å
93	L	96.6	Very high	95	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.238	C	C	.	.			trans	-67	116.7	-179.4	-69.8	171	0	0	0	111.7	V65 V69 T70 V72 F87 S90 P91 V96 K116 L117	V65-L93 HydrophobicContact CG2-CD1 4.39Å; V69-L93 HydrophobicContact CG1-CD2 4.47Å; T70-L93 CarbonylContact O-C 3.59Å; T70-L93 WeakPolarHBondContact O-CA 3.39Å; V72-L93 HydrophobicContact CB-CD2 4.08Å; V72-L93 HydrophobicContact CG1-CD1 3.9Å; V72-L93 HydrophobicContact CG1-CD2 3.94Å; F87-L93 HydrophobicContact CB-CD1 4.16Å; F87-L93 HydrophobicContact CD1-CD1 3.58Å; F87-L93 HydrophobicContact CE1-CD1 4.28Å; F87-L93 HydrophobicContact CG-CD1 4.08Å; S90-L93 WeakPolarHBondContact O-CG 3.34Å; S90-L93 PolarHBondContact O-N 3.37Å; P91-L93 VanDerWaalsContact C-N 3.29Å; L93-V96 HydrophobicContact CD1-CG2 4.27Å; L93-K116 CarbonylContact O-C 3.13Å; L93-L117 WeakPolarHBondContact O-CA 3.43Å; L93-L117 PolarHBondContact O-N 3.05Å
94	E	97.6	Very high	95	Very high	73 Å²	73	40 Å²	40	34%	0.341	24%	0.238	S	C	.	.	S	Bend	trans	-85.7	-19.6	167.8	-59.2	-159.3	155.2	0	0	112.1	T70 E92 K116 K118 S119	T70-E94 PolarHBondContact O-N 2.7Å; E92-E94 PolarHBondContact O-N 3.17Å; E94-K116 WeakPolarHBondContact CA-O 3.38Å; E94-K118 PolarHBondContact O-N 2.79Å; E94-K118 WeakPolarHBondContact OE1-CE 3.44Å; E94-K118 IonicContact OE1-NZ 2.69Å; E94-K118 PolarHBondContact OE1-NZ 3.23Å; E94-K118 IonicContact OE2-NZ 3.98Å; E94-K118 PolarHBondContact OE2-NZ 3.11Å; E94-S119 PolarHBondContact O-N 2.64Å
95	K	98	Very high	95	Very high	46 Å²	46	39.8 Å²	39.8	20%	0.2	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	139.6	-176	-170.3	175	-176.8	-153.6	0	114.2	T70 E71 V72 E97 S119	T70-K95 PolarHBondContact O-N 3.37Å; E71-K95 WeakPolarHBondContact CA-O 3.43Å; E71-K95 HydrophobicContact CB-CB 4.05Å; E71-K95 HydrophobicContact CG-CB 3.91Å; E71-K95 HydrophobicContact CG-CD 4.39Å; V72-K95 PolarHBondContact N-O 3.46Å; K95-E97 WeakPolarHBondContact CE-OE1 3.29Å; K95-E97 HydrophobicContact CG-CG 4.49Å; K95-E97 IonicContact NZ-OE1 2.66Å; K95-E97 PolarHBondContact NZ-OE1 2.66Å; K95-S119 WeakPolarHBondContact CA-O 3.41Å
96	V	97.6	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126.4	173.3	-178.7	0	0	0	0	109.8	V72 F87 L93 F98 F111 L114 L117 S119 V120 E121	V72-V96 HydrophobicContact CG1-CB 4.25Å; V72-V96 HydrophobicContact CG1-CG1 4.12Å; V72-V96 HydrophobicContact CG1-CG2 3.86Å; V72-V96 CarbonylContact O-C 3.52Å; V72-V96 WeakPolarHBondContact O-CA 3.16Å; F87-V96 HydrophobicContact CE1-CG1 4.4Å; F87-V96 HydrophobicContact CE2-CG1 4.08Å; F87-V96 HydrophobicContact CE2-CG2 4.47Å; F87-V96 HydrophobicContact CZ-CG1 3.69Å; F87-V96 HydrophobicContact CZ-CG2 4.35Å; L93-V96 HydrophobicContact CD1-CG2 4.27Å; V96-F98 HydrophobicContact CG1-CD2 3.86Å; V96-F98 HydrophobicContact CG1-CE2 3.4Å; V96-F98 VanDerWaalsContact CG1-CE2 3.4Å; V96-F98 HydrophobicContact CG1-CZ 4.37Å; V96-F111 HydrophobicContact CG1-CE1 4.18Å; V96-L114 HydrophobicContact CG2-CD1 4.43Å; V96-L117 HydrophobicContact CB-CD1 4.44Å; V96-L117 HydrophobicContact CG2-CD1 3.82Å; V96-S119 PolarHBondContact N-O 2.98Å; V96-V120 WeakPolarHBondContact O-CA 3.44Å; V96-E121 PolarHBondContact O-N 3.31Å
97	E	97.5	Very high	95.4	Very high	24 Å²	24	42.4 Å²	42.4	11%	0.112	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.7	172.3	-56.6	-160.7	162.1	0	0	112.5	V72 F73 F74 K95 M99 E121	V72-E97 PolarHBondContact O-N 2.87Å; F73-E97 CarbonylContact C-O 3.48Å; F73-E97 HydrophobicContact CD1-CB 3.85Å; F73-E97 HydrophobicContact CD1-CG 3.75Å; F73-E97 WeakPolarHBondContact CD1-OE2 3.35Å; F73-E97 HydrophobicContact CE1-CB 4.47Å; F73-E97 VanDerWaalsContact CE1-CD 3.49Å; F73-E97 HydrophobicContact CE1-CG 3.86Å; F73-E97 VanDerWaalsContact CE1-OE2 3.29Å; F73-E97 WeakPolarHBondContact CE1-OE2 3.25Å; F74-E97 PolarHBondContact N-O 3.29Å; K95-E97 WeakPolarHBondContact CE-OE1 3.29Å; K95-E97 HydrophobicContact CG-CG 4.49Å; K95-E97 IonicContact NZ-OE1 2.66Å; K95-E97 PolarHBondContact NZ-OE1 2.66Å; E97-M99 WeakPolarHBondContact OE2-CE 3.24Å; E97-E121 CarbonylContact C-O 3.56Å; E97-E121 VanDerWaalsContact CA-O 3.31Å; E97-E121 WeakPolarHBondContact CA-O 3.47Å; E97-E121 HydrophobicContact CB-CB 4.3Å; E97-E121 HydrophobicContact CG-CB 3.99Å
98	F	97.5	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	106.4	169.6	-72.6	-91	0	0	0	108.9	I61 F74 I79 I82 F87 V96 T101 E121 I122 S123 N125	I61-F98 HydrophobicContact CD1-CE1 3.94Å; I61-F98 HydrophobicContact CD1-CZ 3.57Å; I61-F98 HydrophobicContact CG1-CE1 4.21Å; I61-F98 HydrophobicContact CG1-CZ 4.18Å; F74-F98 HydrophobicContact CB-CD1 3.73Å; F74-F98 HydrophobicContact CB-CE1 4Å; F74-F98 HydrophobicContact CB-CG 4.4Å; F74-F98 HydrophobicContact CD1-CE1 4.43Å; F74-F98 AromaticContact CD2-CD1 3.84Å; F74-F98 HydrophobicContact CD2-CD1 3.84Å; F74-F98 HydrophobicContact CD2-CD2 4.43Å; F74-F98 AromaticContact CD2-CE1 3.41Å; F74-F98 HydrophobicContact CD2-CE1 3.41Å; F74-F98 VanDerWaalsContact CD2-CE1 3.41Å; F74-F98 HydrophobicContact CD2-CE2 4.08Å; F74-F98 HydrophobicContact CD2-CG 4.32Å; F74-F98 AromaticContact CD2-CZ 3.55Å; F74-F98 HydrophobicContact CD2-CZ 3.55Å; F74-F98 AromaticContact CE2-CE1 3.99Å; F74-F98 HydrophobicContact CE2-CE1 3.99Å; F74-F98 HydrophobicContact CE2-CE2 4.38Å; F74-F98 AromaticContact CE2-CZ 3.76Å; F74-F98 HydrophobicContact CE2-CZ 3.76Å; F74-F98 AromaticContact CG-CD1 3.95Å; F74-F98 HydrophobicContact CG-CD1 3.95Å; F74-F98 AromaticContact CG-CE1 3.69Å; F74-F98 HydrophobicContact CG-CE1 3.69Å; F74-F98 HydrophobicContact CG-CZ 4.29Å; F74-F98 WeakPolarHBondContact O-CA 3.48Å; I79-F98 HydrophobicContact CD1-CE1 4.34Å; I79-F98 HydrophobicContact CG2-CE1 4.26Å; I82-F98 HydrophobicContact CD1-CD1 4.15Å; I82-F98 HydrophobicContact CD1-CD2 3.64Å; I82-F98 HydrophobicContact CD1-CE1 4Å; I82-F98 HydrophobicContact CD1-CE2 3.44Å; I82-F98 VanDerWaalsContact CD1-CE2 3.44Å; I82-F98 HydrophobicContact CD1-CG 3.99Å; I82-F98 HydrophobicContact CD1-CZ 3.65Å; I82-F98 HydrophobicContact CG1-CD1 4.45Å; I82-F98 HydrophobicContact CG1-CE1 4.02Å; I82-F98 HydrophobicContact CG1-CE2 4.2Å; I82-F98 HydrophobicContact CG1-CZ 3.87Å; I82-F98 HydrophobicContact CG2-CZ 4.33Å; F87-F98 HydrophobicContact CE2-CE2 4.31Å; F87-F98 HydrophobicContact CE2-CZ 4.35Å; F87-F98 AromaticContact CZ-CE2 3.98Å; F87-F98 HydrophobicContact CZ-CE2 3.98Å; F87-F98 AromaticContact CZ-CZ 3.83Å; F87-F98 HydrophobicContact CZ-CZ 3.83Å; V96-F98 HydrophobicContact CG1-CD2 3.86Å; V96-F98 HydrophobicContact CG1-CE2 3.4Å; V96-F98 VanDerWaalsContact CG1-CE2 3.4Å; V96-F98 HydrophobicContact CG1-CZ 4.37Å; F98-T101 HydrophobicContact CB-CG2 4.33Å; F98-T101 HydrophobicContact CD1-CG2 4.21Å; F98-E121 PolarHBondContact N-O 3.5Å; F98-I122 HydrophobicContact CB-CB 4.48Å; F98-I122 HydrophobicContact CB-CG1 4.33Å; F98-I122 HydrophobicContact CB-CG2 4.18Å; F98-I122 HydrophobicContact CD2-CG1 4.28Å; F98-I122 CarbonylContact O-C 3.58Å; F98-I122 WeakPolarHBondContact O-CA 3.41Å; F98-S123 PolarHBondContact O-N 3.27Å; F98-N125 PolarHBondContact O-ND2 3Å
99	M	96.2	Very high	95.6	Very high	54 Å²	54	43.3 Å²	43.3	27%	0.266	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.5	-179.3	-68.6	-173.1	-74.2	0	0	111	F74 V75 N76 E97 T101 S123	F74-M99 PolarHBondContact O-N 3.45Å; V75-M99 WeakPolarHBondContact CA-O 3.28Å; V75-M99 HydrophobicContact CG2-CE 3.87Å; N76-M99 PolarHBondContact N-O 3.2Å; E97-M99 WeakPolarHBondContact OE2-CE 3.24Å; M99-T101 VanDerWaalsContact C-N 3.32Å; M99-T101 WeakPolarHBondContact O-CG2 3.35Å; M99-T101 PolarHBondContact O-N 2.89Å; M99-S123 WeakPolarHBondContact CA-O 3.22Å
100	E	94.1	Very high	95.9	Very high	91 Å²	91	41.4 Å²	41.4	43%	0.425	21%	0.21	S	C	.	.	S	Bend	trans	57.9	43.6	176.3	-158.2	167.8	157.2	0	0	112	N76 S123 T124	N76-E100 CarbonylContact C-O 3.48Å; N76-E100 VanDerWaalsContact CA-O 3.24Å; N76-E100 WeakPolarHBondContact CA-O 3.42Å; E100-S123 PolarHBondContact N-O 2.92Å; E100-T124 HydrophobicContact CB-CG2 4.43Å; E100-T124 HydrophobicContact CG-CG2 4.36Å
101	T	93.8	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.			trans	-101.5	13.2	-169	49.8	0	0	0	0	115.1	F74 S77 R78 I79 F98 M99 T103 N125	F74-T101 HydrophobicContact CB-CG2 3.77Å; F74-T101 VanDerWaalsContact O-CG2 3.24Å; F74-T101 WeakPolarHBondContact O-CG2 3.37Å; S77-T101 CarbonylContact O-C 3.54Å; S77-T101 WeakPolarHBondContact O-CA 3.48Å; R78-T101 CarbonylContact C-O 3.39Å; I79-T101 CarbonylContact C-O 3.57Å; I79-T101 PolarHBondContact N-O 2.86Å; I79-T101 VanDerWaalsContact O-O 3.09Å; F98-T101 HydrophobicContact CB-CG2 4.33Å; F98-T101 HydrophobicContact CD1-CG2 4.21Å; M99-T101 VanDerWaalsContact C-N 3.32Å; M99-T101 WeakPolarHBondContact O-CG2 3.35Å; M99-T101 PolarHBondContact O-N 2.89Å; T101-T103 WeakPolarHBondContact CB-OG1 3.41Å; T101-T103 PolarHBondContact O-N 3.27Å; T101-T103 VanDerWaalsContact O-N 3.08Å; T101-T103 PolarHBondContact O-OG1 2.88Å; T101-T103 PolarHBondContact OG1-OG1 2.85Å; T101-N125 WeakPolarHBondContact CA-OD1 3.31Å; T101-N125 PolarHBondContact N-OD1 3.37Å; T101-N125 PolarHBondContact OG1-ND2 3.27Å; T101-N125 PolarHBondContact OG1-OD1 2.96Å; T101-N125 VanDerWaalsContact OG1-OD1 3.11Å
102	E	93.9	Very high	96.1	Very high	80 Å²	80	40.2 Å²	40.2	37%	0.374	20%	0.199	S	C	.	.			trans	57.7	13.3	-172.6	-60.3	179.7	162.7	0	0	114.6	R78 H80 N104 N125 P126	R78-E102 IonicContact NH1-OE1 3.55Å; R78-E102 IonicContact NH1-OE2 3.9Å; H80-E102 IonicContact CE1-OE2 3.43Å; H80-E102 PolarHBondContact CE1-OE2 2.87Å; H80-E102 VanDerWaalsContact CE1-OE2 3.25Å; E102-N104 PolarHBondContact O-N 3.45Å; E102-N125 PolarHBondContact N-OD1 3.47Å; E102-P126 WeakPolarHBondContact O-CG 3.45Å
103	T	95.9	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.			trans	-70	114.9	-173.2	-50.5	0	0	0	0	112.2	I79 H80 I82 T101 N125 P126 L127	I79-T103 VanDerWaalsContact O-CA 3.25Å; I79-T103 WeakPolarHBondContact O-CA 3.47Å; I79-T103 WeakPolarHBondContact O-CB 3.35Å; I79-T103 PolarHBondContact O-OG1 3.38Å; H80-T103 WeakPolarHBondContact O-CA 3.21Å; I82-T103 HydrophobicContact CD1-CG2 4.2Å; I82-T103 HydrophobicContact CG1-CG2 3.87Å; T101-T103 WeakPolarHBondContact CB-OG1 3.41Å; T101-T103 PolarHBondContact O-N 3.27Å; T101-T103 VanDerWaalsContact O-N 3.08Å; T101-T103 PolarHBondContact O-OG1 2.88Å; T101-T103 PolarHBondContact OG1-OG1 2.85Å; T103-N125 PolarHBondContact N-OD1 3.49Å; T103-N125 WeakPolarHBondContact O-CB 3.4Å; T103-P126 VanDerWaalsContact O-CD 3.23Å; T103-P126 WeakPolarHBondContact O-CD 3.3Å; T103-P126 WeakPolarHBondContact O-CG 3.35Å; T103-L127 PolarHBondContact O-N 2.92Å; T103-L127 VanDerWaalsContact O-N 3.17Å
104	N	95.9	Very high	96	Very high	63 Å²	63	37.2 Å²	37.2	34%	0.337	20%	0.195	S	C	.	.			trans	-108.2	-20.8	-179.7	59.7	77.4	0	0	0	113.5	H80 E102 P126 L127	H80-N104 PolarHBondContact O-N 2.92Å; H80-N104 PolarHBondContact O-ND2 2.9Å; H80-N104 VanDerWaalsContact O-ND2 3.11Å; E102-N104 PolarHBondContact O-N 3.45Å; N104-P126 HydrophobicContact CB-CB 4.44Å; N104-P126 HydrophobicContact CB-CG 4.04Å; N104-L127 WeakPolarHBondContact O-CD1 3.46Å
105	T	96.8	Very high	95.9	Very high	61 Å²	61	37.4 Å²	37.4	37%	0.374	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.4	-173.9	-59.4	0	0	0	0	111.4	H80 T81 I82	H80-T105 PolarHBondContact O-N 3.43Å; T81-T105 WeakPolarHBondContact CA-O 3.45Å; T81-T105 HydrophobicContact CG2-CG2 4.14Å; I82-T105 PolarHBondContact N-O 3.29Å; I82-T105 VanDerWaalsContact N-O 3.07Å
106	I	97.3	Very high	95.8	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.9	167.9	-56	173	0	0	0	107	I82 A110 I122 L127 L134	I82-I106 HydrophobicContact CB-CG1 4.46Å; I82-I106 HydrophobicContact CB-CG2 4.34Å; I82-I106 HydrophobicContact CD1-CD1 4.44Å; I82-I106 HydrophobicContact CD1-CG1 4.15Å; I82-I106 HydrophobicContact CG1-CG1 4.47Å; I106-A110 HydrophobicContact CG2-CB 3.78Å; I106-I122 HydrophobicContact CD1-CD1 3.4Å; I106-I122 HydrophobicContact CG1-CD1 4.48Å; I106-L127 HydrophobicContact CD1-CD1 4.04Å; I106-L127 HydrophobicContact CD1-CD2 3.64Å; I106-L127 HydrophobicContact CG1-CD1 3.83Å; I106-L127 HydrophobicContact CG1-CD2 4.32Å; I106-L134 HydrophobicContact CD1-CD2 4.3Å; I106-L134 HydrophobicContact CG2-CD1 3.71Å; I106-L134 HydrophobicContact CG2-CD2 3.89Å; I106-L134 HydrophobicContact CG2-CG 4.5Å
107	E	97	Very high	95.8	Very high	86 Å²	86	39.2 Å²	39.2	40%	0.402	21%	0.209	S	C	.	.			trans	-81.6	151	175.9	-67.6	-179.3	-179.9	0	0	111.5	T81 I82 P83 S84 G109 A110	T81-E107 HydrophobicContact CG2-CG 4.1Å; I82-E107 PolarHBondContact O-N 3.46Å; P83-E107 VanDerWaalsContact CA-OE2 3.28Å; P83-E107 WeakPolarHBondContact CA-OE2 3.43Å; S84-E107 PolarHBondContact N-OE2 3.18Å; E107-G109 PolarHBondContact O-N 3.27Å; E107-A110 WeakPolarHBondContact O-CB 3.39Å; E107-A110 PolarHBondContact O-N 2.89Å
108	L	96.3	Very high	95.9	Very high	99 Å²	99	41.5 Å²	41.5	52%	0.518	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	129.4	174.3	-177.6	62.2	0	0	0	109.6	S84 P131 V132	S84-L108 WeakPolarHBondContact CB-O 3.47Å; S84-L108 PolarHBondContact OG-O 2.84Å; L108-P131 HydrophobicContact CD1-CB 4.49Å; L108-V132 WeakPolarHBondContact CD1-O 3.42Å
109	G	94.6	Very high	95.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	14	-177	0	0	0	0	0	115.7	G85 E107 F111 D112	G85-G109 PolarHBondContact N-O 2.81Å; E107-G109 PolarHBondContact O-N 3.27Å; G109-F111 PolarHBondContact O-N 3.11Å; G109-D112 VanDerWaalsContact CA-OD1 3.25Å; G109-D112 WeakPolarHBondContact CA-OD1 3.23Å; G109-D112 WeakPolarHBondContact O-CB 3.41Å; G109-D112 PolarHBondContact O-N 2.86Å
110	A	96.9	Very high	96	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.5	174.1	0	0	0	0	0	114.5	I82 P83 I106 E107 L134	I82-A110 HydrophobicContact CB-CB 4.43Å; I82-A110 HydrophobicContact CG2-CB 3.7Å; P83-A110 WeakPolarHBondContact O-CA 3.48Å; P83-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 HydrophobicContact CG2-CB 3.78Å; E107-A110 WeakPolarHBondContact O-CB 3.39Å; E107-A110 PolarHBondContact O-N 2.89Å; A110-L134 HydrophobicContact CB-CD1 4.1Å
111	F	96.4	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	14.4	179.4	-56.7	-60.4	0	0	0	113.8	I82 F87 V96 G109 L114 L117 V120 I122 L134 F135 N138	I82-F111 HydrophobicContact CD1-CZ 4.48Å; F87-F111 HydrophobicContact CD2-CD1 4.02Å; F87-F111 HydrophobicContact CD2-CE1 4.21Å; F87-F111 HydrophobicContact CE2-CD1 4.04Å; F87-F111 AromaticContact CE2-CE1 3.74Å; F87-F111 HydrophobicContact CE2-CE1 3.74Å; V96-F111 HydrophobicContact CG1-CE1 4.18Å; G109-F111 PolarHBondContact O-N 3.11Å; F111-L114 HydrophobicContact CB-CD1 4.36Å; F111-L114 HydrophobicContact CD1-CD1 4.09Å; F111-L114 WeakPolarHBondContact O-CB 3.29Å; F111-L114 PolarHBondContact O-N 2.81Å; F111-L117 HydrophobicContact CB-CD2 4.35Å; F111-L117 HydrophobicContact CD1-CD2 4.43Å; F111-L117 HydrophobicContact CG-CD2 4.47Å; F111-V120 HydrophobicContact CE2-CG1 4.31Å; F111-V120 HydrophobicContact CZ-CG1 4.15Å; F111-I122 HydrophobicContact CE2-CD1 4.48Å; F111-I122 HydrophobicContact CZ-CD1 4.24Å; F111-L134 HydrophobicContact CD2-CD1 3.87Å; F111-L134 HydrophobicContact CD2-CD2 4.16Å; F111-L134 HydrophobicContact CD2-CG 3.93Å; F111-L134 HydrophobicContact CE2-CD1 4.33Å; F111-L134 HydrophobicContact CE2-CD2 4.05Å; F111-L134 HydrophobicContact CE2-CG 4.32Å; F111-F135 HydrophobicContact CD2-CD1 4.07Å; F111-F135 AromaticContact CD2-CE1 3.69Å; F111-F135 HydrophobicContact CD2-CE1 3.69Å; F111-F135 AromaticContact CE2-CE1 3.87Å; F111-F135 HydrophobicContact CE2-CE1 3.87Å; F111-N138 WeakPolarHBondContact CB-OD1 3.48Å; F111-N138 PolarHBondContact O-ND2 3.42Å
112	D	94.8	Very high	96.4	Very high	54 Å²	54	36.9 Å²	36.9	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	143.4	179.1	-83.2	8.2	0	0	0	112.2	G109 L114 K136 D137	G109-D112 VanDerWaalsContact CA-OD1 3.25Å; G109-D112 WeakPolarHBondContact CA-OD1 3.23Å; G109-D112 WeakPolarHBondContact O-CB 3.41Å; G109-D112 PolarHBondContact O-N 2.86Å; D112-L114 PolarHBondContact O-N 3.38Å; D112-L114 VanDerWaalsContact O-N 3.09Å; D112-K136 IonicContact OD1-NZ 2.75Å; D112-K136 PolarHBondContact OD1-NZ 2.71Å; D112-K136 IonicContact OD2-NZ 3.98Å; D112-K136 PolarHBondContact OD2-NZ 3.39Å; D112-D137 WeakPolarHBondContact CA-OD2 3.33Å
113	G	92.1	Very high	96.5	Very high	37 Å²	37	33.1 Å²	33.1	38%	0.381	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-6.2	-178.7	0	0	0	0	0	116.2	V115 D137	G113-V115 PolarHBondContact O-N 3.06Å; G113-D137 PolarHBondContact N-OD2 2.95Å
114	L	95.6	Very high	96.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.202	C	C	.	.			trans	-77	63.6	175.3	-58.5	-172.3	0	0	0	111.7	F87 S90 V96 F111 D112 K116 L117 N138	F87-L114 HydrophobicContact CB-CD1 3.81Å; F87-L114 HydrophobicContact CB-CD2 3.83Å; F87-L114 HydrophobicContact CB-CG 4.17Å; F87-L114 HydrophobicContact CD2-CD1 4.07Å; F87-L114 HydrophobicContact CG-CD1 4.11Å; S90-L114 WeakPolarHBondContact O-CD2 3.49Å; V96-L114 HydrophobicContact CG2-CD1 4.43Å; F111-L114 HydrophobicContact CB-CD1 4.36Å; F111-L114 HydrophobicContact CD1-CD1 4.09Å; F111-L114 WeakPolarHBondContact O-CB 3.29Å; F111-L114 PolarHBondContact O-N 2.81Å; D112-L114 PolarHBondContact O-N 3.38Å; D112-L114 VanDerWaalsContact O-N 3.09Å; L114-K116 PolarHBondContact O-N 3.27Å; L114-L117 HydrophobicContact CB-CB 4.02Å; L114-L117 HydrophobicContact CB-CD2 4.13Å; L114-L117 HydrophobicContact CD1-CD1 4.45Å; L114-L117 HydrophobicContact CD1-CD2 4.05Å; L114-L117 WeakPolarHBondContact O-CB 3.46Å; L114-L117 PolarHBondContact O-N 3.3Å; L114-N138 PolarHBondContact O-ND2 2.77Å
115	V	95.4	Very high	96.4	Very high	77 Å²	77	33.7 Å²	33.7	47%	0.467	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.7	-175.5	-61.5	0	0	0	0	113.8	G113 N140	G113-V115 PolarHBondContact O-N 3.06Å; V115-N140 PolarHBondContact O-ND2 3.09Å
116	K	96.7	Very high	96.4	Very high	84 Å²	84	33.6 Å²	33.6	37%	0.365	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.1	177.1	-76.2	171.3	173.2	171.6	0	113.9	E92 L93 E94 L114 K118	E92-K116 IonicContact OE1-NZ 2.75Å; E92-K116 PolarHBondContact OE1-NZ 2.97Å; E92-K116 IonicContact OE2-NZ 2.65Å; E92-K116 PolarHBondContact OE2-NZ 2.99Å; L93-K116 CarbonylContact O-C 3.13Å; E94-K116 WeakPolarHBondContact CA-O 3.38Å; L114-K116 PolarHBondContact O-N 3.27Å; K116-K118 PolarHBondContact O-N 2.91Å
117	L	97.9	Very high	96.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.			trans	-68.1	116	-172.6	-166.9	65.3	0	0	0	111.6	L93 V96 F111 L114 V120 N138 N140 L141	L93-L117 WeakPolarHBondContact O-CA 3.43Å; L93-L117 PolarHBondContact O-N 3.05Å; V96-L117 HydrophobicContact CB-CD1 4.44Å; V96-L117 HydrophobicContact CG2-CD1 3.82Å; F111-L117 HydrophobicContact CB-CD2 4.35Å; F111-L117 HydrophobicContact CD1-CD2 4.43Å; F111-L117 HydrophobicContact CG-CD2 4.47Å; L114-L117 HydrophobicContact CB-CB 4.02Å; L114-L117 HydrophobicContact CB-CD2 4.13Å; L114-L117 HydrophobicContact CD1-CD1 4.45Å; L114-L117 HydrophobicContact CD1-CD2 4.05Å; L114-L117 WeakPolarHBondContact O-CB 3.46Å; L114-L117 PolarHBondContact O-N 3.3Å; L117-V120 HydrophobicContact CD1-CG2 4.29Å; L117-V120 HydrophobicContact CD2-CG2 3.5Å; L117-V120 HydrophobicContact CG-CG2 3.98Å; L117-N138 HydrophobicContact CD2-CB 4.44Å; L117-N140 CarbonylContact O-C 3.56Å; L117-N140 VanDerWaalsContact O-C 3.26Å; L117-L141 HydrophobicContact CB-CD2 4.44Å; L117-L141 HydrophobicContact CD2-CD2 4.22Å; L117-L141 HydrophobicContact CG-CD2 3.87Å; L117-L141 WeakPolarHBondContact O-CA 3.3Å; L117-L141 PolarHBondContact O-N 2.84Å
118	K	98.3	Very high	96.4	Very high	71 Å²	71	37.7 Å²	37.7	31%	0.309	20%	0.199	S	C	.	.			trans	-102.3	-26.8	178.4	-63.1	170.3	-163.9	162.9	0	112.6	E94 K116 E142 T143	E94-K118 PolarHBondContact O-N 2.79Å; E94-K118 WeakPolarHBondContact OE1-CE 3.44Å; E94-K118 IonicContact OE1-NZ 2.69Å; E94-K118 PolarHBondContact OE1-NZ 3.23Å; E94-K118 IonicContact OE2-NZ 3.98Å; E94-K118 PolarHBondContact OE2-NZ 3.11Å; K116-K118 PolarHBondContact O-N 2.91Å; K118-E142 HydrophobicContact CB-CG 4.4Å; K118-E142 PolarHBondContact O-N 2.88Å; K118-T143 PolarHBondContact O-N 3.2Å
119	S	98.6	Very high	96.4	Very high	23 Å²	23	36.8 Å²	36.8	16%	0.161	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.4	-176.9	179.2	0	0	0	0	113.1	E94 K95 V96 T143	E94-S119 PolarHBondContact O-N 2.64Å; K95-S119 WeakPolarHBondContact CA-O 3.41Å; V96-S119 PolarHBondContact N-O 2.98Å; S119-T143 WeakPolarHBondContact CA-O 3.44Å
120	V	98.3	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.3	168.8	171	0	0	0	0	108.5	V96 F111 L117 I122 F135 L141 T143 T145	V96-V120 WeakPolarHBondContact O-CA 3.44Å; F111-V120 HydrophobicContact CE2-CG1 4.31Å; F111-V120 HydrophobicContact CZ-CG1 4.15Å; L117-V120 HydrophobicContact CD1-CG2 4.29Å; L117-V120 HydrophobicContact CD2-CG2 3.5Å; L117-V120 HydrophobicContact CG-CG2 3.98Å; V120-I122 HydrophobicContact CG1-CD1 4.32Å; V120-I122 HydrophobicContact CG1-CG1 4.08Å; V120-F135 HydrophobicContact CG1-CE1 4.34Å; V120-F135 HydrophobicContact CG2-CE1 4.28Å; V120-L141 HydrophobicContact CB-CD2 4.5Å; V120-L141 HydrophobicContact CG2-CD2 3.93Å; V120-T143 PolarHBondContact N-O 3.4Å; V120-T143 VanDerWaalsContact N-O 3.12Å; V120-T145 PolarHBondContact O-N 3.48Å
121	E	98.3	Very high	96.4	Very high	26 Å²	26	39.1 Å²	39.1	12%	0.121	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.6	166.1	179.7	156.1	138.3	0	0	110.8	V96 E97 F98 S123 T145 K147	V96-E121 PolarHBondContact O-N 3.31Å; E97-E121 CarbonylContact C-O 3.56Å; E97-E121 VanDerWaalsContact CA-O 3.31Å; E97-E121 WeakPolarHBondContact CA-O 3.47Å; E97-E121 HydrophobicContact CB-CB 4.3Å; E97-E121 HydrophobicContact CG-CB 3.99Å; F98-E121 PolarHBondContact N-O 3.5Å; E121-S123 VanDerWaalsContact CD-OG 3.23Å; E121-S123 WeakPolarHBondContact CG-OG 3.49Å; E121-S123 PolarHBondContact OE1-OG 3.47Å; E121-T145 CarbonylContact C-O 3.55Å; E121-T145 WeakPolarHBondContact CA-O 3.25Å; E121-T145 HydrophobicContact CG-CG2 3.87Å; E121-T145 WeakPolarHBondContact OE2-CB 3.49Å; E121-T145 WeakPolarHBondContact OE2-CG2 3.43Å; E121-K147 IonicContact OE1-NZ 2.64Å; E121-K147 PolarHBondContact OE1-NZ 2.92Å; E121-K147 IonicContact OE2-NZ 3.96Å; E121-K147 PolarHBondContact OE2-NZ 3.22Å
122	I	97.4	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	102.9	168.3	-50.9	178.6	0	0	0	106.3	I82 F98 I106 F111 V120 N125 L127 T145 L146 N149	I82-I122 HydrophobicContact CD1-CD1 3.95Å; F98-I122 HydrophobicContact CB-CB 4.48Å; F98-I122 HydrophobicContact CB-CG1 4.33Å; F98-I122 HydrophobicContact CB-CG2 4.18Å; F98-I122 HydrophobicContact CD2-CG1 4.28Å; F98-I122 CarbonylContact O-C 3.58Å; F98-I122 WeakPolarHBondContact O-CA 3.41Å; I106-I122 HydrophobicContact CD1-CD1 3.4Å; I106-I122 HydrophobicContact CG1-CD1 4.48Å; F111-I122 HydrophobicContact CE2-CD1 4.48Å; F111-I122 HydrophobicContact CZ-CD1 4.24Å; V120-I122 HydrophobicContact CG1-CD1 4.32Å; V120-I122 HydrophobicContact CG1-CG1 4.08Å; I122-N125 HydrophobicContact CG2-CB 4.4Å; I122-L127 HydrophobicContact CG2-CD2 4.23Å; I122-T145 PolarHBondContact N-O 3.22Å; I122-L146 HydrophobicContact CB-CD2 3.92Å; I122-L146 HydrophobicContact CD1-CD2 4.21Å; I122-L146 HydrophobicContact CG1-CD2 4.21Å; I122-L146 CarbonylContact O-C 3.34Å; I122-L146 WeakPolarHBondContact O-CA 3.41Å; I122-N149 PolarHBondContact O-ND2 3.31Å
123	S	95.9	Very high	96.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.3	-172	-57.7	0	0	0	0	113.4	F98 M99 E100 E121 N125 K147	F98-S123 PolarHBondContact O-N 3.27Å; M99-S123 WeakPolarHBondContact CA-O 3.22Å; E100-S123 PolarHBondContact N-O 2.92Å; E121-S123 VanDerWaalsContact CD-OG 3.23Å; E121-S123 WeakPolarHBondContact CG-OG 3.49Å; E121-S123 PolarHBondContact OE1-OG 3.47Å; S123-N125 VanDerWaalsContact C-N 3.26Å; S123-N125 PolarHBondContact O-N 2.67Å; S123-N125 PolarHBondContact O-ND2 2.64Å; S123-N125 VanDerWaalsContact O-ND2 3.1Å; S123-K147 VanDerWaalsContact CA-O 3.26Å; S123-K147 WeakPolarHBondContact CA-O 3.23Å; S123-K147 WeakPolarHBondContact OG-CG 3.48Å; S123-K147 PolarHBondContact OG-NZ 3.27Å
124	T	95.3	Very high	96.7	Very high	71 Å²	71	39 Å²	39	44%	0.436	21%	0.214	S	C	.	.	S	Bend	trans	59.4	38	172.5	-39.7	0	0	0	0	111.9	E100 K147 F148 N149	E100-T124 HydrophobicContact CB-CG2 4.43Å; E100-T124 HydrophobicContact CG-CG2 4.36Å; T124-K147 PolarHBondContact N-O 2.91Å; T124-F148 VanDerWaalsContact CA-O 3.31Å; T124-F148 WeakPolarHBondContact CA-O 3.16Å; T124-F148 PolarHBondContact N-O 3.4Å; T124-N149 PolarHBondContact N-OD1 3.11Å
125	N	95.3	Very high	96.7	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-124.4	148.2	-172.2	-91.9	-54.8	0	0	0	111.8	F98 T101 E102 T103 I122 S123 L127 N149	F98-N125 PolarHBondContact O-ND2 3Å; T101-N125 WeakPolarHBondContact CA-OD1 3.31Å; T101-N125 PolarHBondContact N-OD1 3.37Å; T101-N125 PolarHBondContact OG1-ND2 3.27Å; T101-N125 PolarHBondContact OG1-OD1 2.96Å; T101-N125 VanDerWaalsContact OG1-OD1 3.11Å; E102-N125 PolarHBondContact N-OD1 3.47Å; T103-N125 PolarHBondContact N-OD1 3.49Å; T103-N125 WeakPolarHBondContact O-CB 3.4Å; I122-N125 HydrophobicContact CG2-CB 4.4Å; S123-N125 VanDerWaalsContact C-N 3.26Å; S123-N125 PolarHBondContact O-N 2.67Å; S123-N125 PolarHBondContact O-ND2 2.64Å; S123-N125 VanDerWaalsContact O-ND2 3.1Å; N125-L127 PolarHBondContact O-N 3.04Å; N125-N149 WeakPolarHBondContact CA-OD1 3.25Å; N125-N149 VanDerWaalsContact CB-OD1 3.29Å; N125-N149 WeakPolarHBondContact CB-OD1 3.46Å; N125-N149 PolarHBondContact N-OD1 2.74Å; N125-N149 WeakPolarHBondContact O-CA 3.44Å; N125-N149 VanDerWaalsContact O-CB 3.25Å; N125-N149 WeakPolarHBondContact O-CB 3.34Å; N125-N149 PolarHBondContact O-OD1 3.5Å
126	P	96.4	Very high	96.7	Very high	59 Å²	59	40.8 Å²	40.8	38%	0.383	22%	0.215	S	C	.	.			trans	-70.5	16	-178.9	28.5	-35.5	0	0	0	115.7	E102 T103 N104 R128	E102-P126 WeakPolarHBondContact O-CG 3.45Å; T103-P126 VanDerWaalsContact O-CD 3.23Å; T103-P126 WeakPolarHBondContact O-CD 3.3Å; T103-P126 WeakPolarHBondContact O-CG 3.35Å; N104-P126 HydrophobicContact CB-CB 4.44Å; N104-P126 HydrophobicContact CB-CG 4.04Å; P126-R128 PolarHBondContact O-N 3.32Å
127	L	97.1	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.			trans	-61.6	119.5	-176.4	-178.1	68	0	0	0	112.7	T103 N104 I106 I122 N125 S129 V130 N149 K150 L151	T103-L127 PolarHBondContact O-N 2.92Å; T103-L127 VanDerWaalsContact O-N 3.17Å; N104-L127 WeakPolarHBondContact O-CD1 3.46Å; I106-L127 HydrophobicContact CD1-CD1 4.04Å; I106-L127 HydrophobicContact CD1-CD2 3.64Å; I106-L127 HydrophobicContact CG1-CD1 3.83Å; I106-L127 HydrophobicContact CG1-CD2 4.32Å; I122-L127 HydrophobicContact CG2-CD2 4.23Å; N125-L127 PolarHBondContact O-N 3.04Å; L127-S129 VanDerWaalsContact CD1-O 3.25Å; L127-S129 WeakPolarHBondContact CD1-O 3.44Å; L127-V130 HydrophobicContact CD2-CG2 4.2Å; L127-N149 HydrophobicContact CB-CB 4.19Å; L127-K150 CarbonylContact O-C 3.46Å; L127-K150 VanDerWaalsContact O-CA 3.25Å; L127-K150 WeakPolarHBondContact O-CA 3.26Å; L127-K150 WeakPolarHBondContact O-CB 3.33Å; L127-K150 PolarHBondContact O-N 2.91Å; L127-L151 HydrophobicContact CD2-CD2 4.31Å; L127-L151 HydrophobicContact CG-CD2 4.09Å; L127-L151 PolarHBondContact O-N 3.17Å
128	R	96.4	Very high	96.4	Very high	183 Å²	183	39.5 Å²	39.5	69%	0.691	21%	0.212	S	C	*	.			trans	-96.7	-20.9	-174.1	-69.1	-173.8	176.4	-157	-3	116.1	P126 K150 L151 V152	P126-R128 PolarHBondContact O-N 3.32Å; R128-K150 WeakPolarHBondContact CA-O 3.5Å; R128-K150 HydrophobicContact CG-CB 3.97Å; R128-L151 WeakPolarHBondContact O-CA 3.14Å; R128-V152 PolarHBondContact O-N 3.38Å
129	S	96.2	Very high	96.3	Very high	80 Å²	80	38.7 Å²	38.7	56%	0.559	22%	0.216	S	C	*	.			trans	-156.7	158.9	-177.3	49.8	0	0	0	0	109.7	L127	L127-S129 VanDerWaalsContact CD1-O 3.25Å; L127-S129 WeakPolarHBondContact CD1-O 3.44Å
130	V	96.4	Very high	96.2	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.079	23%	0.228	C	C	.	.			trans	-123.4	130.3	172.7	-173.6	0	0	0	0	106.7	L127 L134 L146 L151 L158	L127-V130 HydrophobicContact CD2-CG2 4.2Å; V130-L134 HydrophobicContact CG1-CB 4.27Å; V130-L134 HydrophobicContact CG1-CD2 3.32Å; V130-L134 HydrophobicContact CG1-CG 4.43Å; V130-L146 HydrophobicContact CG2-CD1 4.14Å; V130-L151 HydrophobicContact CG2-CD1 4.19Å; V130-L151 HydrophobicContact CG2-CD2 3.75Å; V130-L158 HydrophobicContact CB-CD1 3.8Å; V130-L158 HydrophobicContact CG1-CD1 3.69Å
131	P	96.4	Very high	96.2	Very high	37 Å²	37	41.3 Å²	41.3	24%	0.24	23%	0.228	C	C	.	.			trans	-67.5	136.3	-178.2	24.4	-30.7	0	0	0	111.6	L108 L134	L108-P131 HydrophobicContact CD1-CB 4.49Å; P131-L134 HydrophobicContact CG-CB 4.2Å; P131-L134 HydrophobicContact CG-CD1 4.37Å; P131-L134 VanDerWaalsContact O-CB 3.25Å; P131-L134 WeakPolarHBondContact O-CB 3.16Å; P131-L134 PolarHBondContact O-N 3.32Å; P131-L134 VanDerWaalsContact O-N 3.14Å
132	V	96.8	Very high	96.2	Very high	64 Å²	64	44.6 Å²	44.6	39%	0.388	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	136.4	170.2	165.9	0	0	0	0	109.9	L108 L134 E155	L108-V132 WeakPolarHBondContact CD1-O 3.42Å; V132-L134 VanDerWaalsContact C-N 3.33Å; V132-L134 PolarHBondContact O-N 3.29Å; V132-E155 HydrophobicContact CG2-CB 4Å
133	G	95.1	Very high	96.3	Very high	25 Å²	25	46.4 Å²	46.4	26%	0.258	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	8.4	-175.7	0	0	0	0	0	116	F135 K136 G157	G133-F135 PolarHBondContact O-N 3.38Å; G133-K136 WeakPolarHBondContact O-CB 3.37Å; G133-K136 PolarHBondContact O-N 3.06Å; G133-G157 PolarHBondContact N-O 3.43Å
134	L	96.8	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.5	176.9	177	60.1	0	0	0	113.6	I106 A110 F111 V130 P131 V132	I106-L134 HydrophobicContact CD1-CD2 4.3Å; I106-L134 HydrophobicContact CG2-CD1 3.71Å; I106-L134 HydrophobicContact CG2-CD2 3.89Å; I106-L134 HydrophobicContact CG2-CG 4.5Å; A110-L134 HydrophobicContact CB-CD1 4.1Å; F111-L134 HydrophobicContact CD2-CD1 3.87Å; F111-L134 HydrophobicContact CD2-CD2 4.16Å; F111-L134 HydrophobicContact CD2-CG 3.93Å; F111-L134 HydrophobicContact CE2-CD1 4.33Å; F111-L134 HydrophobicContact CE2-CD2 4.05Å; F111-L134 HydrophobicContact CE2-CG 4.32Å; V130-L134 HydrophobicContact CG1-CB 4.27Å; V130-L134 HydrophobicContact CG1-CD2 3.32Å; V130-L134 HydrophobicContact CG1-CG 4.43Å; P131-L134 HydrophobicContact CG-CB 4.2Å; P131-L134 HydrophobicContact CG-CD1 4.37Å; P131-L134 VanDerWaalsContact O-CB 3.25Å; P131-L134 WeakPolarHBondContact O-CB 3.16Å; P131-L134 PolarHBondContact O-N 3.32Å; P131-L134 VanDerWaalsContact O-N 3.14Å; V132-L134 VanDerWaalsContact C-N 3.33Å; V132-L134 PolarHBondContact O-N 3.29Å
135	F	96.4	Very high	96.6	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	17.5	-172.9	-57.8	-65.1	0	0	0	114.2	F111 V120 G133 D137 N138 L141 I144 L162	F111-F135 HydrophobicContact CD2-CD1 4.07Å; F111-F135 AromaticContact CD2-CE1 3.69Å; F111-F135 HydrophobicContact CD2-CE1 3.69Å; F111-F135 AromaticContact CE2-CE1 3.87Å; F111-F135 HydrophobicContact CE2-CE1 3.87Å; V120-F135 HydrophobicContact CG1-CE1 4.34Å; V120-F135 HydrophobicContact CG2-CE1 4.28Å; G133-F135 PolarHBondContact O-N 3.38Å; F135-D137 PolarHBondContact O-N 2.91Å; F135-N138 VanDerWaalsContact CA-OD1 3.31Å; F135-N138 WeakPolarHBondContact CA-OD1 3.36Å; F135-N138 HydrophobicContact CB-CB 4.46Å; F135-N138 PolarHBondContact O-N 3.2Å; F135-L141 HydrophobicContact CB-CD1 4.14Å; F135-L141 HydrophobicContact CD1-CD1 3.72Å; F135-L141 HydrophobicContact CE1-CD1 4.36Å; F135-L141 HydrophobicContact CG-CD1 4.05Å; F135-I144 HydrophobicContact CD2-CD1 4.05Å; F135-I144 HydrophobicContact CE2-CD1 3.94Å; F135-I144 HydrophobicContact CG-CD1 4.46Å; F135-I144 HydrophobicContact CZ-CD1 4.26Å; F135-L162 HydrophobicContact CB-CD1 3.99Å; F135-L162 HydrophobicContact CB-CD2 4.01Å; F135-L162 HydrophobicContact CB-CG 4.44Å; F135-L162 HydrophobicContact CD2-CD1 4.26Å; F135-L162 HydrophobicContact CG-CD1 4.33Å
136	K	93.9	Very high	96.7	Very high	113 Å²	113	43.4 Å²	43.4	49%	0.491	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.3	-169.1	64.7	164.1	-162.3	-74.4	0	115.3	D112 G133	D112-K136 IonicContact OD1-NZ 2.75Å; D112-K136 PolarHBondContact OD1-NZ 2.71Å; D112-K136 IonicContact OD2-NZ 3.98Å; D112-K136 PolarHBondContact OD2-NZ 3.39Å; G133-K136 WeakPolarHBondContact O-CB 3.37Å; G133-K136 PolarHBondContact O-N 3.06Å
137	D	93.6	Very high	96.7	Very high	56 Å²	56	42.5 Å²	42.5	30%	0.299	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.4	-177.9	-64.5	-15.1	0	0	0	112.3	D112 G113 F135 S139	D112-D137 WeakPolarHBondContact CA-OD2 3.33Å; G113-D137 PolarHBondContact N-OD2 2.95Å; F135-D137 PolarHBondContact O-N 2.91Å; D137-S139 PolarHBondContact O-N 3.46Å
138	N	96.4	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.			trans	-100.7	41.9	-165.5	-46.6	118.4	0	0	0	112.4	F111 L114 L117 F135 N140 L141 L162	F111-N138 WeakPolarHBondContact CB-OD1 3.48Å; F111-N138 PolarHBondContact O-ND2 3.42Å; L114-N138 PolarHBondContact O-ND2 2.77Å; L117-N138 HydrophobicContact CD2-CB 4.44Å; F135-N138 VanDerWaalsContact CA-OD1 3.31Å; F135-N138 WeakPolarHBondContact CA-OD1 3.36Å; F135-N138 HydrophobicContact CB-CB 4.46Å; F135-N138 PolarHBondContact O-N 3.2Å; N138-N140 PolarHBondContact O-N 2.82Å; N138-L141 HydrophobicContact CB-CD1 3.55Å; N138-L141 HydrophobicContact CB-CG 3.86Å; N138-L141 WeakPolarHBondContact O-CB 3.4Å; N138-L141 VanDerWaalsContact O-CG 3.27Å; N138-L141 WeakPolarHBondContact O-CG 3.34Å; N138-L141 PolarHBondContact O-N 3.16Å; N138-L162 WeakPolarHBondContact O-CD2 3.4Å
139	S	94.9	Very high	96.8	Very high	55 Å²	55	38.3 Å²	38.3	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.9	-174.5	58.6	0	0	0	0	115.3	D137 N164	D137-S139 PolarHBondContact O-N 3.46Å; S139-N164 PolarHBondContact O-ND2 3.11Å
140	N	97.1	Very high	96.9	Very high	77 Å²	77	38.2 Å²	38.2	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.4	172.9	-69.6	-55.6	0	0	0	114.2	V115 L117 N138 E142	V115-N140 PolarHBondContact O-ND2 3.09Å; L117-N140 CarbonylContact O-C 3.56Å; L117-N140 VanDerWaalsContact O-C 3.26Å; N138-N140 PolarHBondContact O-N 2.82Å; N140-E142 PolarHBondContact O-N 3.48Å
141	L	98.3	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.			trans	-61.4	116.1	176.1	-79.9	170	0	0	0	111.6	L117 V120 F135 N138 I144 L162 N164 L165	L117-L141 HydrophobicContact CB-CD2 4.44Å; L117-L141 HydrophobicContact CD2-CD2 4.22Å; L117-L141 HydrophobicContact CG-CD2 3.87Å; L117-L141 WeakPolarHBondContact O-CA 3.3Å; L117-L141 PolarHBondContact O-N 2.84Å; V120-L141 HydrophobicContact CB-CD2 4.5Å; V120-L141 HydrophobicContact CG2-CD2 3.93Å; F135-L141 HydrophobicContact CB-CD1 4.14Å; F135-L141 HydrophobicContact CD1-CD1 3.72Å; F135-L141 HydrophobicContact CE1-CD1 4.36Å; F135-L141 HydrophobicContact CG-CD1 4.05Å; N138-L141 HydrophobicContact CB-CD1 3.55Å; N138-L141 HydrophobicContact CB-CG 3.86Å; N138-L141 WeakPolarHBondContact O-CB 3.4Å; N138-L141 VanDerWaalsContact O-CG 3.27Å; N138-L141 WeakPolarHBondContact O-CG 3.34Å; N138-L141 PolarHBondContact O-N 3.16Å; L141-I144 HydrophobicContact CD1-CD1 4.05Å; L141-I144 HydrophobicContact CD1-CG1 4.21Å; L141-L162 HydrophobicContact CB-CD2 4.45Å; L141-L162 HydrophobicContact CD1-CD1 4.37Å; L141-L162 HydrophobicContact CD1-CD2 4.16Å; L141-N164 CarbonylContact O-C 3.53Å; L141-L165 HydrophobicContact CB-CD1 4.22Å; L141-L165 WeakPolarHBondContact O-CA 3.26Å; L141-L165 PolarHBondContact O-N 3.4Å
142	E	98.6	Very high	97.1	Very high	95 Å²	95	38.4 Å²	38.4	44%	0.444	20%	0.203	S	C	.	.			trans	-91.1	-27.1	172.8	-63.3	179.4	-149.1	0	0	111.8	K118 N140 V166 E167	K118-E142 HydrophobicContact CB-CG 4.4Å; K118-E142 PolarHBondContact O-N 2.88Å; N140-E142 PolarHBondContact O-N 3.48Å; E142-V166 WeakPolarHBondContact O-CA 3.35Å; E142-V166 WeakPolarHBondContact O-CB 2.96Å; E142-V166 PolarHBondContact O-N 2.75Å; E142-E167 PolarHBondContact O-N 3.12Å; E142-E167 VanDerWaalsContact O-N 3.16Å
143	T	98.7	Very high	97.1	Very high	39 Å²	39	41.9 Å²	41.9	24%	0.239	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	128.1	-176.8	-63.5	0	0	0	0	113.2	K118 S119 V120 E167	K118-T143 PolarHBondContact O-N 3.2Å; S119-T143 WeakPolarHBondContact CA-O 3.44Å; V120-T143 PolarHBondContact N-O 3.4Å; V120-T143 VanDerWaalsContact N-O 3.12Å; T143-E167 WeakPolarHBondContact CA-O 3.46Å; T143-E167 HydrophobicContact CG2-CB 4.4Å
144	I	98.7	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.2	170	-71.7	171.8	0	0	0	108.8	F135 L141 L146 F159 L162 L165 E167 L168 Q169	F135-I144 HydrophobicContact CD2-CD1 4.05Å; F135-I144 HydrophobicContact CE2-CD1 3.94Å; F135-I144 HydrophobicContact CG-CD1 4.46Å; F135-I144 HydrophobicContact CZ-CD1 4.26Å; L141-I144 HydrophobicContact CD1-CD1 4.05Å; L141-I144 HydrophobicContact CD1-CG1 4.21Å; I144-L146 HydrophobicContact CG2-CD1 3.87Å; I144-L146 HydrophobicContact CG2-CG 3.76Å; I144-F159 HydrophobicContact CD1-CD1 4.14Å; I144-F159 HydrophobicContact CD1-CE1 4.32Å; I144-L162 HydrophobicContact CD1-CD1 3.52Å; I144-L165 HydrophobicContact CB-CD1 4.21Å; I144-L165 HydrophobicContact CD1-CD1 4.01Å; I144-L165 HydrophobicContact CD1-CD2 4.24Å; I144-L165 HydrophobicContact CG1-CD1 3.8Å; I144-E167 PolarHBondContact N-O 3.19Å; I144-L168 HydrophobicContact CB-CD1 3.84Å; I144-L168 HydrophobicContact CG2-CD1 3.69Å; I144-L168 WeakPolarHBondContact O-CA 3.4Å; I144-Q169 PolarHBondContact O-N 2.93Å
145	T	98.6	Very high	97.3	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.5	173.2	-60.9	0	0	0	0	110.6	V120 E121 I122 K147 Q169	V120-T145 PolarHBondContact O-N 3.48Å; E121-T145 CarbonylContact C-O 3.55Å; E121-T145 WeakPolarHBondContact CA-O 3.25Å; E121-T145 HydrophobicContact CG-CG2 3.87Å; E121-T145 WeakPolarHBondContact OE2-CB 3.49Å; E121-T145 WeakPolarHBondContact OE2-CG2 3.43Å; I122-T145 PolarHBondContact N-O 3.22Å; T145-K147 HydrophobicContact CG2-CB 4.08Å; T145-K147 HydrophobicContact CG2-CD 3.78Å; T145-K147 HydrophobicContact CG2-CG 3.59Å; T145-Q169 HydrophobicContact CG2-CB 3.94Å
146	L	98.1	Very high	97.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.233	C	C	.	.			trans	-123.9	41.9	178.1	-62	173.2	0	0	0	109.9	I122 V130 I144 N149 L151 Q169 L170 N173	I122-L146 HydrophobicContact CB-CD2 3.92Å; I122-L146 HydrophobicContact CD1-CD2 4.21Å; I122-L146 HydrophobicContact CG1-CD2 4.21Å; I122-L146 CarbonylContact O-C 3.34Å; I122-L146 WeakPolarHBondContact O-CA 3.41Å; V130-L146 HydrophobicContact CG2-CD1 4.14Å; I144-L146 HydrophobicContact CG2-CD1 3.87Å; I144-L146 HydrophobicContact CG2-CG 3.76Å; L146-N149 PolarHBondContact O-ND2 2.86Å; L146-L151 HydrophobicContact CB-CD1 4.06Å; L146-L151 HydrophobicContact CD1-CD1 4.3Å; L146-Q169 CarbonylContact C-O 3.58Å; L146-Q169 PolarHBondContact N-O 3.37Å; L146-L170 HydrophobicContact CB-CD2 4.04Å; L146-L170 HydrophobicContact CD1-CD2 4.12Å; L146-N173 PolarHBondContact O-ND2 3.1Å
147	K	97.4	Very high	97.4	Very high	39 Å²	39	43.9 Å²	43.9	17%	0.17	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	153	-171.5	69.3	180	-177.5	-63.7	0	113.3	E121 S123 T124 T145 N149 H171	E121-K147 IonicContact OE1-NZ 2.64Å; E121-K147 PolarHBondContact OE1-NZ 2.92Å; E121-K147 IonicContact OE2-NZ 3.96Å; E121-K147 PolarHBondContact OE2-NZ 3.22Å; S123-K147 VanDerWaalsContact CA-O 3.26Å; S123-K147 WeakPolarHBondContact CA-O 3.23Å; S123-K147 WeakPolarHBondContact OG-CG 3.48Å; S123-K147 PolarHBondContact OG-NZ 3.27Å; T124-K147 PolarHBondContact N-O 2.91Å; T145-K147 HydrophobicContact CG2-CB 4.08Å; T145-K147 HydrophobicContact CG2-CD 3.78Å; T145-K147 HydrophobicContact CG2-CG 3.59Å; K147-N149 VanDerWaalsContact C-N 3.28Å; K147-N149 PolarHBondContact O-N 2.88Å; K147-N149 PolarHBondContact O-ND2 3.36Å; K147-H171 CarbonylContact C-O 3.46Å; K147-H171 WeakPolarHBondContact CA-O 3.35Å; K147-H171 VanDerWaalsContact CB-O 3.31Å; K147-H171 WeakPolarHBondContact CB-O 3.33Å; K147-H171 WeakPolarHBondContact CD-NE2 3.41Å
148	F	97.8	Very high	97.5	Very high	95 Å²	95	41.6 Å²	41.6	42%	0.417	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	35.8	176.3	-58.1	-62.7	0	0	0	114.7	T124 H171 G172	T124-F148 VanDerWaalsContact CA-O 3.31Å; T124-F148 WeakPolarHBondContact CA-O 3.16Å; T124-F148 PolarHBondContact N-O 3.4Å; F148-H171 AromaticContact CE2-NE2 3.79Å; F148-H171 AromaticContact CZ-CD2 3.86Å; F148-H171 PolarHBondContact N-O 3.21Å; F148-G172 VanDerWaalsContact CA-O 3.29Å; F148-G172 WeakPolarHBondContact CA-O 3.45Å
149	N	97.8	Very high	97.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-104.7	-149.1	173.3	-50.4	-60.7	0	0	0	111.5	I122 T124 N125 L127 L146 K147 N173	I122-N149 PolarHBondContact O-ND2 3.31Å; T124-N149 PolarHBondContact N-OD1 3.11Å; N125-N149 WeakPolarHBondContact CA-OD1 3.25Å; N125-N149 VanDerWaalsContact CB-OD1 3.29Å; N125-N149 WeakPolarHBondContact CB-OD1 3.46Å; N125-N149 PolarHBondContact N-OD1 2.74Å; N125-N149 WeakPolarHBondContact O-CA 3.44Å; N125-N149 VanDerWaalsContact O-CB 3.25Å; N125-N149 WeakPolarHBondContact O-CB 3.34Å; N125-N149 PolarHBondContact O-OD1 3.5Å; L127-N149 HydrophobicContact CB-CB 4.19Å; L146-N149 PolarHBondContact O-ND2 2.86Å; K147-N149 VanDerWaalsContact C-N 3.28Å; K147-N149 PolarHBondContact O-N 2.88Å; K147-N149 PolarHBondContact O-ND2 3.36Å; N149-N173 VanDerWaalsContact CA-OD1 3.23Å; N149-N173 WeakPolarHBondContact CA-OD1 3.33Å; N149-N173 WeakPolarHBondContact CB-OD1 3.14Å; N149-N173 PolarHBondContact N-OD1 3.27Å
150	K	97.9	Very high	97.6	Very high	79 Å²	79	42.5 Å²	42.5	34%	0.343	20%	0.204	S	C	.	.			trans	-128.4	26	-178.2	-61.8	-67.9	157.7	-155.2	0	112.7	L127 R128 V152 N173 E174	L127-K150 CarbonylContact O-C 3.46Å; L127-K150 VanDerWaalsContact O-CA 3.25Å; L127-K150 WeakPolarHBondContact O-CA 3.26Å; L127-K150 WeakPolarHBondContact O-CB 3.33Å; L127-K150 PolarHBondContact O-N 2.91Å; R128-K150 WeakPolarHBondContact CA-O 3.5Å; R128-K150 HydrophobicContact CG-CB 3.97Å; K150-V152 WeakPolarHBondContact O-CG2 3.31Å; K150-V152 PolarHBondContact O-N 3.32Å; K150-N173 PolarHBondContact N-OD1 2.93Å; K150-E174 HydrophobicContact CD-CG 4.29Å; K150-E174 WeakPolarHBondContact CD-OE1 3.31Å; K150-E174 WeakPolarHBondContact CD-OE2 3.25Å; K150-E174 WeakPolarHBondContact CE-OE1 3.2Å; K150-E174 IonicContact NZ-OE1 2.67Å; K150-E174 PolarHBondContact NZ-OE1 3.36Å
151	L	98.4	Very high	97.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.2	C	C	.	.			trans	-60.9	122.8	179.4	-57.3	-178	0	0	0	110.1	L127 R128 V130 L146 L170 N173 E174 I175	L127-L151 HydrophobicContact CD2-CD2 4.31Å; L127-L151 HydrophobicContact CG-CD2 4.09Å; L127-L151 PolarHBondContact O-N 3.17Å; R128-L151 WeakPolarHBondContact O-CA 3.14Å; V130-L151 HydrophobicContact CG2-CD1 4.19Å; V130-L151 HydrophobicContact CG2-CD2 3.75Å; L146-L151 HydrophobicContact CB-CD1 4.06Å; L146-L151 HydrophobicContact CD1-CD1 4.3Å; L151-L170 HydrophobicContact CD1-CD2 4.05Å; L151-N173 HydrophobicContact CB-CB 4.08Å; L151-N173 WeakPolarHBondContact CG-OD1 3.46Å; L151-N173 PolarHBondContact N-OD1 2.89Å; L151-E174 CarbonylContact O-C 3.53Å; L151-E174 WeakPolarHBondContact O-CA 3.23Å; L151-E174 PolarHBondContact O-N 3.37Å; L151-I175 HydrophobicContact CB-CD1 4.45Å; L151-I175 HydrophobicContact CB-CG1 4.09Å; L151-I175 WeakPolarHBondContact O-CA 3.35Å; L151-I175 WeakPolarHBondContact O-CG1 3.25Å; L151-I175 PolarHBondContact O-N 3.38Å
152	V	97.9	Very high	97.4	Very high	52 Å²	52	40.5 Å²	40.5	32%	0.315	20%	0.2	S	C	.	.			trans	-97.3	-24.6	-176.2	-174	0	0	0	0	112.6	R128 K150 I175 E176	R128-V152 PolarHBondContact O-N 3.38Å; K150-V152 WeakPolarHBondContact O-CG2 3.31Å; K150-V152 PolarHBondContact O-N 3.32Å; V152-I175 WeakPolarHBondContact O-CA 3.24Å; V152-E176 PolarHBondContact O-N 2.93Å
153	R	97.8	Very high	97.3	Very high	137 Å²	137	38.8 Å²	38.8	52%	0.517	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.9	179.6	69.1	-179.4	71.8	139.2	5	111.6	E155 F177	R153-E155 WeakPolarHBondContact CD-OE1 3.46Å; R153-E155 HydrophobicContact CG-CG 4.17Å; R153-E155 IonicContact CZ-OE1 2.64Å; R153-E155 IonicContact NE-OE1 3.4Å; R153-E155 IonicContact NH1-OE1 2.69Å; R153-E155 PolarHBondContact NH1-OE1 2.95Å; R153-E155 VanDerWaalsContact NH1-OE1 3.12Å; R153-F177 CarbonylContact C-O 3.16Å; R153-F177 WeakPolarHBondContact CA-O 3.43Å; R153-F177 HydrophobicContact CB-CB 4.42Å
154	L	98.1	Very high	97.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.3	162.8	-50.3	172.8	0	0	0	108.6	L158 L170 I175 F177 I178 E179 T182 F183 L194	L154-L158 HydrophobicContact CB-CD2 4.4Å; L154-L158 HydrophobicContact CD2-CD2 3.89Å; L154-L170 HydrophobicContact CD1-CD1 3.75Å; L154-L170 HydrophobicContact CD2-CD2 4.06Å; L154-I175 HydrophobicContact CD1-CD1 4.26Å; L154-I175 HydrophobicContact CD2-CD1 4.15Å; L154-I175 HydrophobicContact CG-CD1 4.19Å; L154-I175 HydrophobicContact CG-CG2 4.4Å; L154-F177 PolarHBondContact N-O 3.46Å; L154-I178 HydrophobicContact CB-CG1 4.36Å; L154-I178 HydrophobicContact CB-CG2 4.31Å; L154-I178 HydrophobicContact CD1-CD1 3.98Å; L154-I178 HydrophobicContact CD1-CG1 3.94Å; L154-I178 HydrophobicContact CD1-CG2 4.39Å; L154-I178 HydrophobicContact CG-CG1 4.25Å; L154-E179 PolarHBondContact O-N 2.87Å; L154-T182 HydrophobicContact CB-CG2 3.85Å; L154-F183 HydrophobicContact CD1-CE1 4.1Å; L154-F183 HydrophobicContact CD1-CZ 3.75Å; L154-L194 HydrophobicContact CD1-CD2 4.34Å
155	E	96.9	Very high	97.3	Very high	76 Å²	76	40.3 Å²	40.3	36%	0.355	20%	0.204	S	C	.	.			trans	-108.3	152.7	-176.7	-65.2	172.9	163.4	0	0	109.2	V132 R153 L158	V132-E155 HydrophobicContact CG2-CB 4Å; R153-E155 WeakPolarHBondContact CD-OE1 3.46Å; R153-E155 HydrophobicContact CG-CG 4.17Å; R153-E155 IonicContact CZ-OE1 2.64Å; R153-E155 IonicContact NE-OE1 3.4Å; R153-E155 IonicContact NH1-OE1 2.69Å; R153-E155 PolarHBondContact NH1-OE1 2.95Å; R153-E155 VanDerWaalsContact NH1-OE1 3.12Å; E155-L158 VanDerWaalsContact O-CB 3.24Å; E155-L158 WeakPolarHBondContact O-CB 3.37Å; E155-L158 PolarHBondContact O-N 3.23Å
156	K	96.5	Very high	97.3	Very high	93 Å²	93	42.3 Å²	42.3	40%	0.404	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	144.8	175.2	-178.3	178.4	173.3	179.7	0	110.1	E179 Q181	K156-E179 HydrophobicContact CB-CB 4.45Å; K156-E179 HydrophobicContact CB-CG 4.23Å; K156-E179 WeakPolarHBondContact CB-OE2 3.47Å; K156-E179 PolarHBondContact N-OE2 2.99Å; K156-Q181 HydrophobicContact CD-CB 4.23Å
157	G	95.4	Very high	97.3	Very high	12 Å²	12	44.3 Å²	44.3	12%	0.124	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-6.5	-173.9	0	0	0	0	0	114.5	G133 D160	G133-G157 PolarHBondContact N-O 3.43Å; G157-D160 VanDerWaalsContact CA-CG 3.5Å; G157-D160 WeakPolarHBondContact CA-OD1 3.2Å; G157-D160 PolarHBondContact N-OD1 2.99Å
158	L	96.9	Very high	97.4	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.042	22%	0.217	C	C	.	.	S	Bend	trans	-73.1	-27.2	-175.1	-178.2	58.3	0	0	0	113.8	V130 L154 E155	V130-L158 HydrophobicContact CB-CD1 3.8Å; V130-L158 HydrophobicContact CG1-CD1 3.69Å; L154-L158 HydrophobicContact CB-CD2 4.4Å; L154-L158 HydrophobicContact CD2-CD2 3.89Å; E155-L158 VanDerWaalsContact O-CB 3.24Å; E155-L158 WeakPolarHBondContact O-CB 3.37Å; E155-L158 PolarHBondContact O-N 3.23Å
159	F	97.4	Very high	97.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	20%	0.2	C	C	.	.	S	Bend	trans	-129	17.9	-175.5	-53.4	-69.9	0	0	0	113.6	I144 L162 L168 L170 T182 F183 L186	I144-F159 HydrophobicContact CD1-CD1 4.14Å; I144-F159 HydrophobicContact CD1-CE1 4.32Å; F159-L162 HydrophobicContact CB-CD1 4.22Å; F159-L162 HydrophobicContact CD1-CD1 4.24Å; F159-L162 WeakPolarHBondContact O-CB 3.45Å; F159-L162 WeakPolarHBondContact O-CG 3.48Å; F159-L162 PolarHBondContact O-N 3.5Å; F159-L168 HydrophobicContact CD2-CD2 4.49Å; F159-L168 HydrophobicContact CE1-CD1 4.01Å; F159-L168 HydrophobicContact CE1-CD2 4.38Å; F159-L168 HydrophobicContact CE2-CD2 4.18Å; F159-L168 HydrophobicContact CZ-CD1 4.14Å; F159-L168 HydrophobicContact CZ-CD2 4.12Å; F159-L170 HydrophobicContact CZ-CD1 4.35Å; F159-T182 HydrophobicContact CD2-CG2 4.06Å; F159-T182 HydrophobicContact CE2-CG2 4.14Å; F159-F183 HydrophobicContact CD2-CD1 4.09Å; F159-F183 HydrophobicContact CD2-CE1 4.15Å; F159-F183 HydrophobicContact CE2-CD1 4.28Å; F159-F183 AromaticContact CE2-CE1 3.86Å; F159-F183 HydrophobicContact CE2-CE1 3.86Å; F159-L186 HydrophobicContact CB-CD1 4.19Å; F159-L186 HydrophobicContact CB-CD2 4.02Å; F159-L186 HydrophobicContact CB-CG 4.37Å; F159-L186 HydrophobicContact CG-CD1 4.47Å
160	D	95.2	Very high	97.4	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	147.1	179.2	-65.3	20.7	0	0	0	111	G157 L162	G157-D160 VanDerWaalsContact CA-CG 3.5Å; G157-D160 WeakPolarHBondContact CA-OD1 3.2Å; G157-D160 PolarHBondContact N-OD1 2.99Å; D160-L162 PolarHBondContact O-N 2.71Å
161	G	94	Very high	97.5	Very high	33 Å²	33	36 Å²	36	34%	0.34	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-14.9	-175.2	0	0	0	0	0	115.4	T163 E185	G161-T163 PolarHBondContact O-N 3.29Å; G161-E185 PolarHBondContact N-OE2 2.61Å
162	L	97.6	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.196	C	C	.	.			trans	-81.1	46	-172.8	-53.6	-172.4	0	0	0	114	F135 N138 L141 I144 F159 D160 N164 L165 L186	F135-L162 HydrophobicContact CB-CD1 3.99Å; F135-L162 HydrophobicContact CB-CD2 4.01Å; F135-L162 HydrophobicContact CB-CG 4.44Å; F135-L162 HydrophobicContact CD2-CD1 4.26Å; F135-L162 HydrophobicContact CG-CD1 4.33Å; N138-L162 WeakPolarHBondContact O-CD2 3.4Å; L141-L162 HydrophobicContact CB-CD2 4.45Å; L141-L162 HydrophobicContact CD1-CD1 4.37Å; L141-L162 HydrophobicContact CD1-CD2 4.16Å; I144-L162 HydrophobicContact CD1-CD1 3.52Å; F159-L162 HydrophobicContact CB-CD1 4.22Å; F159-L162 HydrophobicContact CD1-CD1 4.24Å; F159-L162 WeakPolarHBondContact O-CB 3.45Å; F159-L162 WeakPolarHBondContact O-CG 3.48Å; F159-L162 PolarHBondContact O-N 3.5Å; D160-L162 PolarHBondContact O-N 2.71Å; L162-N164 PolarHBondContact O-N 2.69Å; L162-N164 VanDerWaalsContact O-N 3.1Å; L162-L165 HydrophobicContact CB-CB 4.33Å; L162-L165 VanDerWaalsContact O-CB 3.26Å; L162-L165 WeakPolarHBondContact O-CB 3.5Å; L162-L165 PolarHBondContact O-N 2.59Å; L162-L186 HydrophobicContact CB-CD2 3.86Å; L162-L186 WeakPolarHBondContact O-CD2 3.25Å
163	T	96.4	Very high	97.5	Very high	60 Å²	60	34.6 Å²	34.6	37%	0.368	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	-177	57.4	0	0	0	0	114.4	G161 N188	G161-T163 PolarHBondContact O-N 3.29Å; T163-N188 WeakPolarHBondContact O-CB 3.3Å; T163-N188 PolarHBondContact O-ND2 3.26Å
164	N	97.8	Very high	97.5	Very high	71 Å²	71	32.1 Å²	32.1	38%	0.38	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.9	175.7	-69.5	-54.5	0	0	0	114.3	S139 L141 L162 V166	S139-N164 PolarHBondContact O-ND2 3.11Å; L141-N164 CarbonylContact O-C 3.53Å; L162-N164 PolarHBondContact O-N 2.69Å; L162-N164 VanDerWaalsContact O-N 3.1Å; N164-V166 WeakPolarHBondContact O-CG2 3.36Å; N164-V166 PolarHBondContact O-N 2.9Å
165	L	98.6	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.			trans	-66.1	122.1	-173.2	-163.8	72.5	0	0	0	111.6	L141 I144 L162 L168 L186 N188 L189	L141-L165 HydrophobicContact CB-CD1 4.22Å; L141-L165 WeakPolarHBondContact O-CA 3.26Å; L141-L165 PolarHBondContact O-N 3.4Å; I144-L165 HydrophobicContact CB-CD1 4.21Å; I144-L165 HydrophobicContact CD1-CD1 4.01Å; I144-L165 HydrophobicContact CD1-CD2 4.24Å; I144-L165 HydrophobicContact CG1-CD1 3.8Å; L162-L165 HydrophobicContact CB-CB 4.33Å; L162-L165 VanDerWaalsContact O-CB 3.26Å; L162-L165 WeakPolarHBondContact O-CB 3.5Å; L162-L165 PolarHBondContact O-N 2.59Å; L165-L168 HydrophobicContact CD2-CB 4.13Å; L165-L168 HydrophobicContact CD2-CD1 4.5Å; L165-L168 HydrophobicContact CD2-CD2 4.42Å; L165-L186 HydrophobicContact CB-CD2 4.06Å; L165-L186 HydrophobicContact CD2-CD1 4.11Å; L165-L186 HydrophobicContact CD2-CD2 3.84Å; L165-N188 CarbonylContact O-C 3.41Å; L165-L189 HydrophobicContact CB-CD1 4.48Å; L165-L189 HydrophobicContact CD2-CD1 4.11Å; L165-L189 HydrophobicContact CG-CD1 4.08Å; L165-L189 WeakPolarHBondContact O-CA 3.49Å; L165-L189 PolarHBondContact O-N 3.49Å
166	V	98.6	Very high	97.6	Very high	53 Å²	53	33.7 Å²	33.7	32%	0.321	19%	0.185	S	C	.	.			trans	-101.4	-33.7	-176.8	-175.7	0	0	0	0	111.6	E142 N164 N190 K191	E142-V166 WeakPolarHBondContact O-CA 3.35Å; E142-V166 WeakPolarHBondContact O-CB 2.96Å; E142-V166 PolarHBondContact O-N 2.75Å; N164-V166 WeakPolarHBondContact O-CG2 3.36Å; N164-V166 PolarHBondContact O-N 2.9Å; V166-N190 HydrophobicContact CG1-CB 3.68Å; V166-N190 WeakPolarHBondContact O-CA 3.45Å; V166-N190 WeakPolarHBondContact O-CB 3.47Å; V166-N190 PolarHBondContact O-N 3.25Å; V166-K191 PolarHBondContact O-N 2.94Å; V166-K191 VanDerWaalsContact O-N 3.08Å
167	E	98.8	Very high	97.6	Very high	44 Å²	44	35.1 Å²	35.1	21%	0.206	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	125.9	-178.3	179.8	145.8	-155.8	0	0	112.8	E142 T143 I144 Q169 K191	E142-E167 PolarHBondContact O-N 3.12Å; E142-E167 VanDerWaalsContact O-N 3.16Å; T143-E167 WeakPolarHBondContact CA-O 3.46Å; T143-E167 HydrophobicContact CG2-CB 4.4Å; I144-E167 PolarHBondContact N-O 3.19Å; E167-Q169 HydrophobicContact CG-CG 3.99Å; E167-Q169 PolarHBondContact OE1-NE2 3.06Å; E167-K191 HydrophobicContact CB-CB 4.5Å; E167-K191 HydrophobicContact CG-CB 4.17Å; E167-K191 IonicContact OE2-NZ 3.21Å; E167-K191 PolarHBondContact OE2-NZ 2.93Å
168	L	98.8	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.2	178.2	-179.9	55	0	0	0	110	I144 F159 L165 L170 F183 L186 L189 K191 L192 N193	I144-L168 HydrophobicContact CB-CD1 3.84Å; I144-L168 HydrophobicContact CG2-CD1 3.69Å; I144-L168 WeakPolarHBondContact O-CA 3.4Å; F159-L168 HydrophobicContact CD2-CD2 4.49Å; F159-L168 HydrophobicContact CE1-CD1 4.01Å; F159-L168 HydrophobicContact CE1-CD2 4.38Å; F159-L168 HydrophobicContact CE2-CD2 4.18Å; F159-L168 HydrophobicContact CZ-CD1 4.14Å; F159-L168 HydrophobicContact CZ-CD2 4.12Å; L165-L168 HydrophobicContact CD2-CB 4.13Å; L165-L168 HydrophobicContact CD2-CD1 4.5Å; L165-L168 HydrophobicContact CD2-CD2 4.42Å; L168-L170 HydrophobicContact CD1-CD1 3.96Å; L168-L170 HydrophobicContact CD1-CG 4.02Å; L168-L170 HydrophobicContact CD2-CD1 3.81Å; L168-L170 HydrophobicContact CG-CD1 3.71Å; L168-L170 HydrophobicContact CG-CG 4.14Å; L168-F183 HydrophobicContact CD2-CD1 4.11Å; L168-F183 HydrophobicContact CD2-CE1 3.85Å; L168-L186 HydrophobicContact CD2-CD1 3.92Å; L168-L189 HydrophobicContact CB-CD1 3.84Å; L168-L189 HydrophobicContact CB-CD2 4.36Å; L168-K191 PolarHBondContact N-O 2.79Å; L168-L192 HydrophobicContact CB-CD1 4.06Å; L168-L192 HydrophobicContact CD2-CD1 3.9Å; L168-L192 HydrophobicContact CG-CD1 3.99Å; L168-N193 PolarHBondContact O-N 3.18Å
169	Q	98.7	Very high	97.8	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	101.2	-175.9	-64.7	-64.5	-41.8	0	0	110.7	I144 T145 L146 E167 H171 N193	I144-Q169 PolarHBondContact O-N 2.93Å; T145-Q169 HydrophobicContact CG2-CB 3.94Å; L146-Q169 CarbonylContact C-O 3.58Å; L146-Q169 PolarHBondContact N-O 3.37Å; E167-Q169 HydrophobicContact CG-CG 3.99Å; E167-Q169 PolarHBondContact OE1-NE2 3.06Å; Q169-H171 PolarHBondContact OE1-CE1 2.8Å; Q169-H171 VanDerWaalsContact OE1-CE1 3.23Å; Q169-H171 PolarHBondContact OE1-ND1 3.24Å; Q169-N193 PolarHBondContact OE1-ND2 3.07Å
170	L	98.6	Very high	97.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.			trans	-114.3	18.7	-177	-74.6	158.7	0	0	0	112.2	L146 L151 L154 F159 L168 N173 I175 F183 N193 L194 N197	L146-L170 HydrophobicContact CB-CD2 4.04Å; L146-L170 HydrophobicContact CD1-CD2 4.12Å; L151-L170 HydrophobicContact CD1-CD2 4.05Å; L154-L170 HydrophobicContact CD1-CD1 3.75Å; L154-L170 HydrophobicContact CD2-CD2 4.06Å; F159-L170 HydrophobicContact CZ-CD1 4.35Å; L168-L170 HydrophobicContact CD1-CD1 3.96Å; L168-L170 HydrophobicContact CD1-CG 4.02Å; L168-L170 HydrophobicContact CD2-CD1 3.81Å; L168-L170 HydrophobicContact CG-CD1 3.71Å; L168-L170 HydrophobicContact CG-CG 4.14Å; L170-N173 PolarHBondContact O-ND2 2.8Å; L170-I175 HydrophobicContact CB-CD1 4.25Å; L170-I175 HydrophobicContact CD2-CD1 4.43Å; L170-F183 HydrophobicContact CD1-CE1 4.34Å; L170-N193 CarbonylContact C-O 3.52Å; L170-N193 WeakPolarHBondContact CA-O 3.15Å; L170-N193 PolarHBondContact N-O 3.31Å; L170-L194 HydrophobicContact CB-CD2 3.94Å; L170-L194 HydrophobicContact CD1-CD2 3.85Å; L170-N197 PolarHBondContact O-ND2 3.37Å
171	H	98.5	Very high	97.8	Very high	24 Å²	24	42.5 Å²	42.5	11%	0.111	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	147.2	-169.6	65.8	-95.2	0	0	0	113.5	K147 F148 Q169 N193 G195	K147-H171 CarbonylContact C-O 3.46Å; K147-H171 WeakPolarHBondContact CA-O 3.35Å; K147-H171 VanDerWaalsContact CB-O 3.31Å; K147-H171 WeakPolarHBondContact CB-O 3.33Å; K147-H171 WeakPolarHBondContact CD-NE2 3.41Å; F148-H171 AromaticContact CE2-NE2 3.79Å; F148-H171 AromaticContact CZ-CD2 3.86Å; F148-H171 PolarHBondContact N-O 3.21Å; Q169-H171 PolarHBondContact OE1-CE1 2.8Å; Q169-H171 VanDerWaalsContact OE1-CE1 3.23Å; Q169-H171 PolarHBondContact OE1-ND1 3.24Å; H171-N193 PolarHBondContact N-O 3.12Å; H171-N193 PolarHBondContact ND1-ND2 2.82Å; H171-G195 CarbonylContact C-O 3.55Å; H171-G195 WeakPolarHBondContact CA-O 3.36Å; H171-G195 WeakPolarHBondContact CB-O 3.34Å
172	G	98.1	Very high	98	Very high	15 Å²	15	41 Å²	41	16%	0.155	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	23.4	-178.9	0	0	0	0	0	114.3	F148 G195 K196	F148-G172 VanDerWaalsContact CA-O 3.29Å; F148-G172 WeakPolarHBondContact CA-O 3.45Å; G172-G195 PolarHBondContact N-O 3.5Å; G172-G195 VanDerWaalsContact N-O 3.12Å; G172-K196 CarbonylContact C-O 3.31Å; G172-K196 WeakPolarHBondContact CA-O 3.3Å; G172-K196 PolarHBondContact N-O 2.94Å
173	N	98.7	Very high	98	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.048	21%	0.207	C	C	.	.	S	Bend	trans	-100.1	-166.1	174.9	-73.9	-76	0	0	0	110.4	L146 N149 K150 L151 L170 I175 K196 N197	L146-N173 PolarHBondContact O-ND2 3.1Å; N149-N173 VanDerWaalsContact CA-OD1 3.23Å; N149-N173 WeakPolarHBondContact CA-OD1 3.33Å; N149-N173 WeakPolarHBondContact CB-OD1 3.14Å; N149-N173 PolarHBondContact N-OD1 3.27Å; K150-N173 PolarHBondContact N-OD1 2.93Å; L151-N173 HydrophobicContact CB-CB 4.08Å; L151-N173 WeakPolarHBondContact CG-OD1 3.46Å; L151-N173 PolarHBondContact N-OD1 2.89Å; L170-N173 PolarHBondContact O-ND2 2.8Å; N173-I175 HydrophobicContact CB-CD1 4.11Å; N173-I175 HydrophobicContact CB-CG1 3.86Å; N173-K196 PolarHBondContact N-O 2.72Å; N173-K196 VanDerWaalsContact N-O 3.12Å; N173-N197 WeakPolarHBondContact CA-OD1 3.3Å; N173-N197 WeakPolarHBondContact CB-OD1 3.49Å; N173-N197 PolarHBondContact N-OD1 2.84Å; N173-N197 PolarHBondContact O-OD1 3.33Å
174	E	98.4	Very high	98	Very high	84 Å²	84	39.7 Å²	39.7	39%	0.393	20%	0.198	S	C	.	.			trans	-117	31.5	-179.9	-66.5	174.9	174.9	0	0	109.8	K150 L151 E176	K150-E174 HydrophobicContact CD-CG 4.29Å; K150-E174 WeakPolarHBondContact CD-OE1 3.31Å; K150-E174 WeakPolarHBondContact CD-OE2 3.25Å; K150-E174 WeakPolarHBondContact CE-OE1 3.2Å; K150-E174 IonicContact NZ-OE1 2.67Å; K150-E174 PolarHBondContact NZ-OE1 3.36Å; L151-E174 CarbonylContact O-C 3.53Å; L151-E174 WeakPolarHBondContact O-CA 3.23Å; L151-E174 PolarHBondContact O-N 3.37Å; E174-E176 PolarHBondContact O-N 3.46Å
175	I	98.6	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.			trans	-69.9	115.8	-170.1	-57.7	169.4	0	0	0	109.8	L151 V152 L154 L170 N173 I178 N197 N198 L199	L151-I175 HydrophobicContact CB-CD1 4.45Å; L151-I175 HydrophobicContact CB-CG1 4.09Å; L151-I175 WeakPolarHBondContact O-CA 3.35Å; L151-I175 WeakPolarHBondContact O-CG1 3.25Å; L151-I175 PolarHBondContact O-N 3.38Å; V152-I175 WeakPolarHBondContact O-CA 3.24Å; L154-I175 HydrophobicContact CD1-CD1 4.26Å; L154-I175 HydrophobicContact CD2-CD1 4.15Å; L154-I175 HydrophobicContact CG-CD1 4.19Å; L154-I175 HydrophobicContact CG-CG2 4.4Å; L170-I175 HydrophobicContact CB-CD1 4.25Å; L170-I175 HydrophobicContact CD2-CD1 4.43Å; N173-I175 HydrophobicContact CB-CD1 4.11Å; N173-I175 HydrophobicContact CB-CG1 3.86Å; I175-I178 HydrophobicContact CG2-CD1 4.37Å; I175-I178 HydrophobicContact CG2-CG1 3.87Å; I175-N197 HydrophobicContact CB-CB 4.26Å; I175-N197 VanDerWaalsContact CB-OD1 3.32Å; I175-N197 WeakPolarHBondContact CB-OD1 3.27Å; I175-N197 VanDerWaalsContact CG1-OD1 3.29Å; I175-N197 WeakPolarHBondContact CG1-OD1 3.4Å; I175-N197 PolarHBondContact N-OD1 2.84Å; I175-N198 CarbonylContact O-C 3.59Å; I175-N198 VanDerWaalsContact O-C 3.23Å; I175-N198 WeakPolarHBondContact O-CA 3.29Å; I175-N198 PolarHBondContact O-N 3.27Å; I175-L199 HydrophobicContact CG2-CD2 4.04Å; I175-L199 PolarHBondContact O-N 3.16Å; I175-L199 VanDerWaalsContact O-N 3.15Å
176	E	97.6	Very high	97.9	Very high	110 Å²	110	40.6 Å²	40.6	51%	0.514	20%	0.2	S	C	.	.			trans	-99.6	-31.2	177.3	-72.1	176.5	178.8	0	0	112.3	V152 E174 N198	V152-E176 PolarHBondContact O-N 2.93Å; E174-E176 PolarHBondContact O-N 3.46Å; E176-N198 HydrophobicContact CG-CB 3.66Å; E176-N198 WeakPolarHBondContact CG-ND2 3.05Å; E176-N198 PolarHBondContact OE1-ND2 3.48Å
177	F	97.3	Very high	97.8	Very high	123 Å²	123	41.1 Å²	41.1	54%	0.539	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.6	-172.3	-178.6	-99.3	0	0	0	111.9	R153 L154 E179	R153-F177 CarbonylContact C-O 3.16Å; R153-F177 WeakPolarHBondContact CA-O 3.43Å; R153-F177 HydrophobicContact CB-CB 4.42Å; L154-F177 PolarHBondContact N-O 3.46Å; F177-E179 HydrophobicContact CE1-CB 3.94Å; F177-E179 HydrophobicContact CE1-CG 4.42Å; F177-E179 HydrophobicContact CZ-CB 4.44Å
178	I	98.3	Very high	97.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.9	171.9	-59	177.5	0	0	0	106.1	L154 I175 T182 F183 L194 L199 W206	L154-I178 HydrophobicContact CB-CG1 4.36Å; L154-I178 HydrophobicContact CB-CG2 4.31Å; L154-I178 HydrophobicContact CD1-CD1 3.98Å; L154-I178 HydrophobicContact CD1-CG1 3.94Å; L154-I178 HydrophobicContact CD1-CG2 4.39Å; L154-I178 HydrophobicContact CG-CG1 4.25Å; I175-I178 HydrophobicContact CG2-CD1 4.37Å; I175-I178 HydrophobicContact CG2-CG1 3.87Å; I178-T182 HydrophobicContact CG2-CG2 4.27Å; I178-F183 HydrophobicContact CD1-CE2 4.37Å; I178-F183 HydrophobicContact CD1-CZ 4.33Å; I178-F183 HydrophobicContact CG2-CE2 3.9Å; I178-F183 HydrophobicContact CG2-CZ 4.13Å; I178-L194 HydrophobicContact CD1-CD1 3.91Å; I178-L194 HydrophobicContact CD1-CD2 3.89Å; I178-L199 HydrophobicContact CD1-CD1 4.33Å; I178-L199 HydrophobicContact CD1-CD2 4.08Å; I178-L199 HydrophobicContact CG1-CD2 4.17Å; I178-W206 HydrophobicContact CB-CD2 4.27Å; I178-W206 HydrophobicContact CB-CH2 4.04Å; I178-W206 HydrophobicContact CB-CZ2 3.74Å; I178-W206 HydrophobicContact CB-CZ3 4.4Å; I178-W206 HydrophobicContact CD1-CE3 4.25Å; I178-W206 HydrophobicContact CD1-CH2 4.3Å; I178-W206 HydrophobicContact CD1-CZ3 3.98Å; I178-W206 HydrophobicContact CG1-CH2 4.39Å; I178-W206 HydrophobicContact CG2-CD2 4.19Å; I178-W206 HydrophobicContact CG2-CG 4.43Å; I178-W206 HydrophobicContact CG2-CZ2 4.48Å; I178-W206 WeakPolarHBondContact O-CZ2 3.2Å; I178-W206 PolarHBondContact O-NE1 3.36Å
179	E	97.8	Very high	97.8	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	21%	0.211	S	C	.	.			trans	-68.1	147.7	178	-162.5	179.7	166.7	0	0	110.9	L154 K156 F177 T182	L154-E179 PolarHBondContact O-N 2.87Å; K156-E179 HydrophobicContact CB-CB 4.45Å; K156-E179 HydrophobicContact CB-CG 4.23Å; K156-E179 WeakPolarHBondContact CB-OE2 3.47Å; K156-E179 PolarHBondContact N-OE2 2.99Å; F177-E179 HydrophobicContact CE1-CB 3.94Å; F177-E179 HydrophobicContact CE1-CG 4.42Å; F177-E179 HydrophobicContact CZ-CB 4.44Å; E179-T182 WeakPolarHBondContact O-CB 3.22Å; E179-T182 PolarHBondContact O-N 2.84Å; E179-T182 PolarHBondContact O-OG1 3.19Å
180	D	96.6	Very high	97.7	Very high	85 Å²	85	43.6 Å²	43.6	46%	0.455	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	146.2	172.3	-77.4	-28.6	0	0	0	111.1	T182 S205	D180-T182 PolarHBondContact O-N 3.31Å; D180-S205 WeakPolarHBondContact OD1-CB 3.14Å; D180-S205 PolarHBondContact OD1-OG 2.8Å
181	Q	95.4	Very high	97.7	Very high	88 Å²	88	46.2 Å²	46.2	41%	0.411	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	1.8	-178.2	-39.2	-169.6	-83.6	0	0	116.6	K156 F183 D184	K156-Q181 HydrophobicContact CD-CB 4.23Å; Q181-F183 PolarHBondContact O-N 3.25Å; Q181-D184 HydrophobicContact CB-CB 4.19Å; Q181-D184 PolarHBondContact NE2-OD2 3.19Å; Q181-D184 PolarHBondContact O-N 2.9Å
182	T	98	Very high	97.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.1	176.9	-64.2	0	0	0	0	114.6	L154 F159 I178 E179 D180	L154-T182 HydrophobicContact CB-CG2 3.85Å; F159-T182 HydrophobicContact CD2-CG2 4.06Å; F159-T182 HydrophobicContact CE2-CG2 4.14Å; I178-T182 HydrophobicContact CG2-CG2 4.27Å; E179-T182 WeakPolarHBondContact O-CB 3.22Å; E179-T182 PolarHBondContact O-N 2.84Å; E179-T182 PolarHBondContact O-OG1 3.19Å; D180-T182 PolarHBondContact O-N 3.31Å
183	F	98.2	Very high	97.8	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	7.6	179.8	-50.5	-56.3	0	0	0	114	L154 F159 L168 L170 I178 Q181 E185 L186 L192 L194 W206 F207 L210	L154-F183 HydrophobicContact CD1-CE1 4.1Å; L154-F183 HydrophobicContact CD1-CZ 3.75Å; F159-F183 HydrophobicContact CD2-CD1 4.09Å; F159-F183 HydrophobicContact CD2-CE1 4.15Å; F159-F183 HydrophobicContact CE2-CD1 4.28Å; F159-F183 AromaticContact CE2-CE1 3.86Å; F159-F183 HydrophobicContact CE2-CE1 3.86Å; L168-F183 HydrophobicContact CD2-CD1 4.11Å; L168-F183 HydrophobicContact CD2-CE1 3.85Å; L170-F183 HydrophobicContact CD1-CE1 4.34Å; I178-F183 HydrophobicContact CD1-CE2 4.37Å; I178-F183 HydrophobicContact CD1-CZ 4.33Å; I178-F183 HydrophobicContact CG2-CE2 3.9Å; I178-F183 HydrophobicContact CG2-CZ 4.13Å; Q181-F183 PolarHBondContact O-N 3.25Å; F183-E185 VanDerWaalsContact C-N 3.28Å; F183-E185 PolarHBondContact O-N 3.06Å; F183-L186 HydrophobicContact CB-CD1 4.09Å; F183-L186 HydrophobicContact CD1-CD1 3.83Å; F183-L186 HydrophobicContact CG-CD1 4.41Å; F183-L186 WeakPolarHBondContact O-CB 3.48Å; F183-L186 PolarHBondContact O-N 2.66Å; F183-L192 HydrophobicContact CD2-CD2 4.38Å; F183-L192 HydrophobicContact CE2-CD2 4.25Å; F183-L194 HydrophobicContact CE2-CD1 4.34Å; F183-L194 HydrophobicContact CZ-CD1 4.42Å; F183-L194 HydrophobicContact CZ-CD2 4.42Å; F183-W206 HydrophobicContact CD2-CB 4.17Å; F183-W206 WeakPolarHBondContact CD2-O 3.41Å; F183-W206 HydrophobicContact CE2-CB 4.46Å; F183-F207 HydrophobicContact CD2-CE1 4.48Å; F183-F207 HydrophobicContact CE2-CE1 4.41Å; F183-L210 HydrophobicContact CB-CD1 4.41Å; F183-L210 HydrophobicContact CB-CD2 4.25Å; F183-L210 WeakPolarHBondContact O-CD2 3.41Å
184	D	96.5	Very high	97.8	Very high	31 Å²	31	44.2 Å²	44.2	17%	0.166	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.3	-167.2	-95.5	23.7	0	0	0	113.7	Q181 K209	Q181-D184 HydrophobicContact CB-CB 4.19Å; Q181-D184 PolarHBondContact NE2-OD2 3.19Å; Q181-D184 PolarHBondContact O-N 2.9Å; D184-K209 HydrophobicContact CB-CG 3.86Å; D184-K209 VanDerWaalsContact CG-CG 3.46Å; D184-K209 VanDerWaalsContact O-CB 3.27Å; D184-K209 WeakPolarHBondContact O-CB 3.46Å; D184-K209 WeakPolarHBondContact O-CG 3.29Å; D184-K209 WeakPolarHBondContact OD1-CG 3.44Å; D184-K209 WeakPolarHBondContact OD2-CE 3.39Å
185	E	96.5	Very high	97.8	Very high	89 Å²	89	40.2 Å²	40.2	42%	0.416	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.5	-179.7	-58.2	-156.3	156.7	0	0	114.4	G161 F183 V187	G161-E185 PolarHBondContact N-OE2 2.61Å; F183-E185 VanDerWaalsContact C-N 3.28Å; F183-E185 PolarHBondContact O-N 3.06Å; E185-V187 PolarHBondContact O-N 3.34Å
186	L	98	Very high	97.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.214	C	C	.	.			trans	-79.7	48	-177.8	-56.7	-175.7	0	0	0	112.3	F159 L162 L165 L168 F183 N188 L189 L210	F159-L186 HydrophobicContact CB-CD1 4.19Å; F159-L186 HydrophobicContact CB-CD2 4.02Å; F159-L186 HydrophobicContact CB-CG 4.37Å; F159-L186 HydrophobicContact CG-CD1 4.47Å; L162-L186 HydrophobicContact CB-CD2 3.86Å; L162-L186 WeakPolarHBondContact O-CD2 3.25Å; L165-L186 HydrophobicContact CB-CD2 4.06Å; L165-L186 HydrophobicContact CD2-CD1 4.11Å; L165-L186 HydrophobicContact CD2-CD2 3.84Å; L168-L186 HydrophobicContact CD2-CD1 3.92Å; F183-L186 HydrophobicContact CB-CD1 4.09Å; F183-L186 HydrophobicContact CD1-CD1 3.83Å; F183-L186 HydrophobicContact CG-CD1 4.41Å; F183-L186 WeakPolarHBondContact O-CB 3.48Å; F183-L186 PolarHBondContact O-N 2.66Å; L186-N188 PolarHBondContact O-N 2.88Å; L186-N188 VanDerWaalsContact O-N 3.13Å; L186-L189 HydrophobicContact CB-CB 4.04Å; L186-L189 HydrophobicContact CB-CD2 4.38Å; L186-L189 HydrophobicContact CD1-CD2 4.2Å; L186-L189 WeakPolarHBondContact O-CB 3.26Å; L186-L189 PolarHBondContact O-N 3.14Å; L186-L210 HydrophobicContact CB-CD2 3.87Å; L186-L210 WeakPolarHBondContact O-CD2 3.27Å
187	V	96.6	Very high	97.8	Very high	64 Å²	64	39.5 Å²	39.5	39%	0.388	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.9	-168.6	-64.6	0	0	0	0	114.5	E185 N212	E185-V187 PolarHBondContact O-N 3.34Å; V187-N212 PolarHBondContact O-ND2 3.29Å
188	N	97.9	Very high	97.9	Very high	68 Å²	68	35.9 Å²	35.9	36%	0.364	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	3.7	176.5	-69.9	-55	0	0	0	114.5	T163 L165 L186 N190 N212	T163-N188 WeakPolarHBondContact O-CB 3.3Å; T163-N188 PolarHBondContact O-ND2 3.26Å; L165-N188 CarbonylContact O-C 3.41Å; L186-N188 PolarHBondContact O-N 2.88Å; L186-N188 VanDerWaalsContact O-N 3.13Å; N188-N190 PolarHBondContact O-N 3.42Å; N188-N190 VanDerWaalsContact O-N 3.1Å; N188-N212 PolarHBondContact OD1-ND2 3.46Å; N188-N212 VanDerWaalsContact OD1-ND2 3.15Å
189	L	98.6	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.			trans	-61.9	117	-175.8	-165.6	71.6	0	0	0	111.3	L165 L168 L186 L192 L210 N212 L213	L165-L189 HydrophobicContact CB-CD1 4.48Å; L165-L189 HydrophobicContact CD2-CD1 4.11Å; L165-L189 HydrophobicContact CG-CD1 4.08Å; L165-L189 WeakPolarHBondContact O-CA 3.49Å; L165-L189 PolarHBondContact O-N 3.49Å; L168-L189 HydrophobicContact CB-CD1 3.84Å; L168-L189 HydrophobicContact CB-CD2 4.36Å; L186-L189 HydrophobicContact CB-CB 4.04Å; L186-L189 HydrophobicContact CB-CD2 4.38Å; L186-L189 HydrophobicContact CD1-CD2 4.2Å; L186-L189 WeakPolarHBondContact O-CB 3.26Å; L186-L189 PolarHBondContact O-N 3.14Å; L189-L192 HydrophobicContact CD2-CB 3.93Å; L189-L192 HydrophobicContact CD2-CD1 4.24Å; L189-L192 HydrophobicContact CD2-CG 4.45Å; L189-L210 HydrophobicContact CB-CD2 4.35Å; L189-L210 HydrophobicContact CD2-CD1 4.28Å; L189-L210 HydrophobicContact CD2-CD2 4.44Å; L189-N212 CarbonylContact O-C 3.49Å; L189-N212 VanDerWaalsContact O-C 3.29Å; L189-L213 HydrophobicContact CD2-CD1 4.27Å; L189-L213 HydrophobicContact CG-CD1 4.2Å; L189-L213 WeakPolarHBondContact O-CA 3.24Å; L189-L213 WeakPolarHBondContact O-CD1 3.38Å; L189-L213 PolarHBondContact O-N 3.33Å; L189-L213 VanDerWaalsContact O-N 3.12Å
190	N	98.5	Very high	97.9	Very high	43 Å²	43	36.2 Å²	36.2	23%	0.23	19%	0.187	C	C	.	.			trans	-93	-33.8	-177.8	-175.3	-108.4	0	0	0	111.9	V166 N188 N212 T214 A215	V166-N190 HydrophobicContact CG1-CB 3.68Å; V166-N190 WeakPolarHBondContact O-CA 3.45Å; V166-N190 WeakPolarHBondContact O-CB 3.47Å; V166-N190 PolarHBondContact O-N 3.25Å; N188-N190 PolarHBondContact O-N 3.42Å; N188-N190 VanDerWaalsContact O-N 3.1Å; N190-N212 PolarHBondContact ND2-O 3.38Å; N190-T214 VanDerWaalsContact ND2-CG2 3.26Å; N190-T214 WeakPolarHBondContact ND2-CG2 3.43Å; N190-T214 PolarHBondContact ND2-OG1 3.44Å; N190-T214 VanDerWaalsContact ND2-OG1 3.13Å; N190-T214 PolarHBondContact O-N 2.9Å; N190-T214 PolarHBondContact O-OG1 3.45Å; N190-T214 PolarHBondContact OD1-OG1 2.84Å; N190-A215 PolarHBondContact O-N 3.37Å; N190-A215 VanDerWaalsContact O-N 3.15Å
191	K	98.8	Very high	97.9	Very high	54 Å²	54	35.5 Å²	35.5	24%	0.235	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	126.6	-179.3	-45.7	-171.2	-146.3	70.6	0	111.4	V166 E167 L168 A215	V166-K191 PolarHBondContact O-N 2.94Å; V166-K191 VanDerWaalsContact O-N 3.08Å; E167-K191 HydrophobicContact CB-CB 4.5Å; E167-K191 HydrophobicContact CG-CB 4.17Å; E167-K191 IonicContact OE2-NZ 3.21Å; E167-K191 PolarHBondContact OE2-NZ 2.93Å; L168-K191 PolarHBondContact N-O 2.79Å; K191-A215 WeakPolarHBondContact CA-O 3.45Å; K191-A215 HydrophobicContact CB-CB 4.29Å; K191-A215 HydrophobicContact CG-CB 4.13Å
192	L	98.8	Very high	98	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.9	173.4	180	57.2	0	0	0	109.6	L168 F183 L189 L194 F207 L210 L213 A215 R217	L168-L192 HydrophobicContact CB-CD1 4.06Å; L168-L192 HydrophobicContact CD2-CD1 3.9Å; L168-L192 HydrophobicContact CG-CD1 3.99Å; F183-L192 HydrophobicContact CD2-CD2 4.38Å; F183-L192 HydrophobicContact CE2-CD2 4.25Å; L189-L192 HydrophobicContact CD2-CB 3.93Å; L189-L192 HydrophobicContact CD2-CD1 4.24Å; L189-L192 HydrophobicContact CD2-CG 4.45Å; L192-L194 HydrophobicContact CD1-CG 4.23Å; L192-L194 HydrophobicContact CD2-CD1 4.07Å; L192-L194 HydrophobicContact CG-CD1 4.22Å; L192-L194 HydrophobicContact CG-CG 4.24Å; L192-F207 HydrophobicContact CD2-CD1 3.92Å; L192-F207 HydrophobicContact CD2-CE1 3.58Å; L192-L210 HydrophobicContact CD2-CD1 4.16Å; L192-L213 HydrophobicContact CB-CD1 3.89Å; L192-A215 PolarHBondContact N-O 2.81Å; L192-R217 PolarHBondContact O-N 3.06Å
193	N	98.8	Very high	97.9	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	103.9	179.3	-168.6	4.7	0	0	0	112.6	L168 Q169 L170 H171 G195 R217 Y219	L168-N193 PolarHBondContact O-N 3.18Å; Q169-N193 PolarHBondContact OE1-ND2 3.07Å; L170-N193 CarbonylContact C-O 3.52Å; L170-N193 WeakPolarHBondContact CA-O 3.15Å; L170-N193 PolarHBondContact N-O 3.31Å; H171-N193 PolarHBondContact N-O 3.12Å; H171-N193 PolarHBondContact ND1-ND2 2.82Å; N193-G195 PolarHBondContact OD1-N 3.49Å; N193-R217 HydrophobicContact CB-CB 4.21Å; N193-R217 VanDerWaalsContact OD1-CB 3.24Å; N193-R217 WeakPolarHBondContact OD1-CB 3.4Å; N193-Y219 WeakPolarHBondContact OD1-CE1 3.47Å
194	L	98.7	Very high	97.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.191	C	C	.	.			trans	-109	12.2	177	-68	166.9	0	0	0	111.5	L154 L170 I178 F183 L192 N197 L199 F207 R217 L218 N221	L154-L194 HydrophobicContact CD1-CD2 4.34Å; L170-L194 HydrophobicContact CB-CD2 3.94Å; L170-L194 HydrophobicContact CD1-CD2 3.85Å; I178-L194 HydrophobicContact CD1-CD1 3.91Å; I178-L194 HydrophobicContact CD1-CD2 3.89Å; F183-L194 HydrophobicContact CE2-CD1 4.34Å; F183-L194 HydrophobicContact CZ-CD1 4.42Å; F183-L194 HydrophobicContact CZ-CD2 4.42Å; L192-L194 HydrophobicContact CD1-CG 4.23Å; L192-L194 HydrophobicContact CD2-CD1 4.07Å; L192-L194 HydrophobicContact CG-CD1 4.22Å; L192-L194 HydrophobicContact CG-CG 4.24Å; L194-N197 WeakPolarHBondContact O-CB 3.45Å; L194-N197 PolarHBondContact O-ND2 3.38Å; L194-L199 HydrophobicContact CB-CD1 4.29Å; L194-F207 HydrophobicContact CD1-CE1 4.28Å; L194-F207 HydrophobicContact CD1-CZ 4.35Å; L194-R217 CarbonylContact C-O 3.58Å; L194-R217 PolarHBondContact N-O 3.19Å; L194-L218 HydrophobicContact CB-CD2 4.01Å; L194-L218 HydrophobicContact CD1-CD2 4.19Å; L194-N221 PolarHBondContact O-ND2 2.92Å
195	G	98.5	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.			trans	-67.8	161.5	179.9	0	0	0	0	0	113.7	H171 G172 N193 N197 R217 Y219	H171-G195 CarbonylContact C-O 3.55Å; H171-G195 WeakPolarHBondContact CA-O 3.36Å; H171-G195 WeakPolarHBondContact CB-O 3.34Å; G172-G195 PolarHBondContact N-O 3.5Å; G172-G195 VanDerWaalsContact N-O 3.12Å; N193-G195 PolarHBondContact OD1-N 3.49Å; G195-N197 PolarHBondContact O-ND2 2.92Å; G195-R217 PolarHBondContact N-O 2.99Å; G195-Y219 CarbonylContact C-O 3.55Å; G195-Y219 VanDerWaalsContact C-O 3.31Å; G195-Y219 WeakPolarHBondContact CA-O 3.36Å
196	K	98.4	Very high	97.8	Very high	83 Å²	83	31.3 Å²	31.3	36%	0.361	18%	0.178	S	C	.	.	S	Bend	trans	52.8	62.4	-173.5	-68	-179.6	171.7	-174.1	0	111.4	G172 N173 Y219 E220	G172-K196 CarbonylContact C-O 3.31Å; G172-K196 WeakPolarHBondContact CA-O 3.3Å; G172-K196 PolarHBondContact N-O 2.94Å; N173-K196 PolarHBondContact N-O 2.72Å; N173-K196 VanDerWaalsContact N-O 3.12Å; K196-Y219 HydrophobicContact CD-CE2 4.28Å; K196-Y219 HydrophobicContact CG-CD2 4.45Å; K196-Y219 HydrophobicContact CG-CE2 3.89Å; K196-Y219 PolarHBondContact N-O 2.99Å; K196-E220 WeakPolarHBondContact CA-O 3.43Å; K196-E220 HydrophobicContact CB-CB 4.49Å; K196-E220 WeakPolarHBondContact CE-OE1 3.5Å; K196-E220 WeakPolarHBondContact CE-OE2 3.49Å; K196-E220 HydrophobicContact CG-CB 3.68Å; K196-E220 HydrophobicContact CG-CG 4.36Å; K196-E220 PolarHBondContact N-O 3.28Å; K196-E220 IonicContact NZ-OE1 3.58Å; K196-E220 IonicContact NZ-OE2 2.59Å
197	N	98.8	Very high	97.7	Very high	13 Å²	13	31.3 Å²	31.3	7%	0.07	18%	0.178	C	C	.	.	S	Bend	trans	-139.8	-175	177.5	-87.2	-64.1	0	0	0	109.4	L170 N173 I175 L194 G195 L199 E220 N221	L170-N197 PolarHBondContact O-ND2 3.37Å; N173-N197 WeakPolarHBondContact CA-OD1 3.3Å; N173-N197 WeakPolarHBondContact CB-OD1 3.49Å; N173-N197 PolarHBondContact N-OD1 2.84Å; N173-N197 PolarHBondContact O-OD1 3.33Å; I175-N197 HydrophobicContact CB-CB 4.26Å; I175-N197 VanDerWaalsContact CB-OD1 3.32Å; I175-N197 WeakPolarHBondContact CB-OD1 3.27Å; I175-N197 VanDerWaalsContact CG1-OD1 3.29Å; I175-N197 WeakPolarHBondContact CG1-OD1 3.4Å; I175-N197 PolarHBondContact N-OD1 2.84Å; L194-N197 WeakPolarHBondContact O-CB 3.45Å; L194-N197 PolarHBondContact O-ND2 3.38Å; G195-N197 PolarHBondContact O-ND2 2.92Å; N197-L199 HydrophobicContact CB-CG 4.39Å; N197-E220 PolarHBondContact N-O 2.83Å; N197-N221 WeakPolarHBondContact CA-OD1 3.31Å; N197-N221 WeakPolarHBondContact CB-OD1 3.48Å; N197-N221 PolarHBondContact O-OD1 3.27Å
198	N	98.4	Very high	97.6	Very high	47 Å²	47	29.8 Å²	29.8	25%	0.251	17%	0.17	S	C	.	.			trans	-107.2	20.4	-175.9	-151.3	28.2	0	0	0	113.1	I175 E176 T200 Q222	I175-N198 CarbonylContact O-C 3.59Å; I175-N198 VanDerWaalsContact O-C 3.23Å; I175-N198 WeakPolarHBondContact O-CA 3.29Å; I175-N198 PolarHBondContact O-N 3.27Å; E176-N198 HydrophobicContact CG-CB 3.66Å; E176-N198 WeakPolarHBondContact CG-ND2 3.05Å; E176-N198 PolarHBondContact OE1-ND2 3.48Å; N198-T200 PolarHBondContact O-N 3.05Å; N198-Q222 PolarHBondContact OD1-NE2 3.29Å
199	L	98.5	Very high	97.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.172	C	C	.	.			trans	-64.6	127.3	-176.6	-59.4	172.9	0	0	0	110.6	I175 I178 L194 N197 W206 L218 N221 Q222 L223	I175-L199 HydrophobicContact CG2-CD2 4.04Å; I175-L199 PolarHBondContact O-N 3.16Å; I175-L199 VanDerWaalsContact O-N 3.15Å; I178-L199 HydrophobicContact CD1-CD1 4.33Å; I178-L199 HydrophobicContact CD1-CD2 4.08Å; I178-L199 HydrophobicContact CG1-CD2 4.17Å; L194-L199 HydrophobicContact CB-CD1 4.29Å; N197-L199 HydrophobicContact CB-CG 4.39Å; L199-W206 HydrophobicContact CD2-CH2 4.43Å; L199-L218 HydrophobicContact CD1-CD2 4.24Å; L199-N221 HydrophobicContact CB-CB 4.3Å; L199-N221 VanDerWaalsContact CB-OD1 3.26Å; L199-N221 WeakPolarHBondContact CB-OD1 3.26Å; L199-N221 WeakPolarHBondContact CG-OD1 3.47Å; L199-N221 PolarHBondContact N-OD1 2.88Å; L199-Q222 CarbonylContact O-C 3.26Å; L199-Q222 VanDerWaalsContact O-CA 3.32Å; L199-Q222 WeakPolarHBondContact O-CA 3.35Å; L199-Q222 PolarHBondContact O-N 2.86Å; L199-L223 HydrophobicContact CB-CD2 4.01Å; L199-L223 WeakPolarHBondContact O-CD2 3.17Å; L199-L223 PolarHBondContact O-N 3.3Å
200	T	97.6	Very high	97.5	Very high	83 Å²	83	31.1 Å²	31.1	51%	0.509	17%	0.172	S	C	.	.	S	Bend	trans	-98.1	-21.5	177.1	53	0	0	0	0	112.9	N198 Q222	N198-T200 PolarHBondContact O-N 3.05Å; T200-Q222 HydrophobicContact CG2-CB 4.11Å
201	S	96.7	Very high	97.5	Very high	70 Å²	70	32.6 Å²	32.6	49%	0.49	18%	0.177	S	C	.	.			trans	-142.3	170.9	174.9	63.3	0	0	0	0	110.9	L223	S201-L223 VanDerWaalsContact C-CD2 3.46Å; S201-L223 WeakPolarHBondContact O-CD2 2.98Å
202	V	97.1	Very high	97.4	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.067	18%	0.183	C	C	.	.			trans	-134.9	147.6	171.5	-70.6	0	0	0	0	109.3	W206 L218 L223 I226 P227 L230	V202-W206 HydrophobicContact CB-CE3 4.44Å; V202-W206 HydrophobicContact CB-CZ3 4.04Å; V202-W206 HydrophobicContact CG1-CZ3 3.95Å; V202-L218 HydrophobicContact CG1-CD1 4.12Å; V202-L218 HydrophobicContact CG1-CD2 3.87Å; V202-L223 HydrophobicContact CG1-CD1 3.78Å; V202-L223 HydrophobicContact CG1-CD2 3.81Å; V202-L223 HydrophobicContact CG1-CG 4.48Å; V202-I226 HydrophobicContact CG2-CD1 4.12Å; V202-P227 HydrophobicContact CG2-CG 4.48Å; V202-P227 WeakPolarHBondContact O-CG 3.48Å; V202-L230 HydrophobicContact CB-CD1 4.41Å; V202-L230 HydrophobicContact CB-CD2 4.4Å; V202-L230 HydrophobicContact CG2-CD1 4.18Å; V202-L230 HydrophobicContact CG2-CD2 3.63Å
203	S	96.3	Very high	97.4	Very high	41 Å²	41	33.2 Å²	33.2	29%	0.287	18%	0.182	S	C	.	.			trans	-114.8	142.4	179.4	-167	0	0	0	0	112.2	S205 W206	S203-S205 VanDerWaalsContact C-N 3.26Å; S203-S205 VanDerWaalsContact CB-OG 3.31Å; S203-S205 WeakPolarHBondContact CB-OG 3.47Å; S203-S205 PolarHBondContact O-N 3.01Å; S203-S205 PolarHBondContact OG-OG 2.86Å; S203-W206 PolarHBondContact O-N 3.44Å
204	T	95.8	Very high	97.4	Very high	24 Å²	24	34.6 Å²	34.6	15%	0.147	19%	0.191	C	C	.	.	S	Bend	trans	-70	-24.1	178.1	-53.6	0	0	0	0	112.5	W206 F207 S208 D229 L230	T204-W206 PolarHBondContact O-N 2.97Å; T204-F207 PolarHBondContact O-N 3.08Å; T204-S208 PolarHBondContact O-N 2.95Å; T204-D229 HydrophobicContact CG2-CB 4.3Å; T204-D229 PolarHBondContact OG1-OD1 2.82Å; T204-L230 WeakPolarHBondContact OG1-CA 3.09Å
205	S	95.5	Very high	97.4	Very high	34 Å²	34	34.8 Å²	34.8	24%	0.238	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-52	-51.3	170.5	53.9	0	0	0	0	112	D180 S203 F207 S208	D180-S205 WeakPolarHBondContact OD1-CB 3.14Å; D180-S205 PolarHBondContact OD1-OG 2.8Å; S203-S205 VanDerWaalsContact C-N 3.26Å; S203-S205 VanDerWaalsContact CB-OG 3.31Å; S203-S205 WeakPolarHBondContact CB-OG 3.47Å; S203-S205 PolarHBondContact O-N 3.01Å; S203-S205 PolarHBondContact OG-OG 2.86Å; S205-F207 PolarHBondContact O-N 2.82Å; S205-S208 WeakPolarHBondContact O-CB 3.36Å; S205-S208 PolarHBondContact O-N 3.17Å; S205-S208 VanDerWaalsContact O-N 3.09Å; S205-S208 PolarHBondContact O-OG 3.4Å
206	W	97.1	Very high	97.3	Very high	15 Å²	15	34.9 Å²	34.9	6%	0.057	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.5	-30.4	-172.3	-59.7	-11	0	0	0	113.6	I178 F183 L199 V202 S203 T204	I178-W206 HydrophobicContact CB-CD2 4.27Å; I178-W206 HydrophobicContact CB-CH2 4.04Å; I178-W206 HydrophobicContact CB-CZ2 3.74Å; I178-W206 HydrophobicContact CB-CZ3 4.4Å; I178-W206 HydrophobicContact CD1-CE3 4.25Å; I178-W206 HydrophobicContact CD1-CH2 4.3Å; I178-W206 HydrophobicContact CD1-CZ3 3.98Å; I178-W206 HydrophobicContact CG1-CH2 4.39Å; I178-W206 HydrophobicContact CG2-CD2 4.19Å; I178-W206 HydrophobicContact CG2-CG 4.43Å; I178-W206 HydrophobicContact CG2-CZ2 4.48Å; I178-W206 WeakPolarHBondContact O-CZ2 3.2Å; I178-W206 PolarHBondContact O-NE1 3.36Å; F183-W206 HydrophobicContact CD2-CB 4.17Å; F183-W206 WeakPolarHBondContact CD2-O 3.41Å; F183-W206 HydrophobicContact CE2-CB 4.46Å; L199-W206 HydrophobicContact CD2-CH2 4.43Å; V202-W206 HydrophobicContact CB-CE3 4.44Å; V202-W206 HydrophobicContact CB-CZ3 4.04Å; V202-W206 HydrophobicContact CG1-CZ3 3.95Å; S203-W206 PolarHBondContact O-N 3.44Å; T204-W206 PolarHBondContact O-N 2.97Å
207	F	96.8	Very high	97.3	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-112.9	-4.9	-175.7	-43.9	-45.5	0	0	0	113	F183 L192 L194 T204 S205 K209 L210 I216 L230 L234	F183-F207 HydrophobicContact CD2-CE1 4.48Å; F183-F207 HydrophobicContact CE2-CE1 4.41Å; L192-F207 HydrophobicContact CD2-CD1 3.92Å; L192-F207 HydrophobicContact CD2-CE1 3.58Å; L194-F207 HydrophobicContact CD1-CE1 4.28Å; L194-F207 HydrophobicContact CD1-CZ 4.35Å; T204-F207 PolarHBondContact O-N 3.08Å; S205-F207 PolarHBondContact O-N 2.82Å; F207-K209 PolarHBondContact O-N 3.36Å; F207-L210 HydrophobicContact CB-CD1 4.28Å; F207-L210 HydrophobicContact CD1-CD1 3.92Å; F207-L210 PolarHBondContact O-N 2.99Å; F207-I216 HydrophobicContact CD1-CD1 4.14Å; F207-I216 HydrophobicContact CD2-CD1 3.72Å; F207-I216 HydrophobicContact CE1-CD1 4.05Å; F207-I216 HydrophobicContact CE2-CD1 3.61Å; F207-I216 HydrophobicContact CG-CD1 4Å; F207-I216 HydrophobicContact CZ-CD1 3.78Å; F207-L230 HydrophobicContact CD2-CD1 3.67Å; F207-L230 HydrophobicContact CD2-CG 4.12Å; F207-L230 HydrophobicContact CE2-CD1 3.77Å; F207-L230 HydrophobicContact CE2-CD2 4.43Å; F207-L230 HydrophobicContact CE2-CG 4.28Å; F207-L234 HydrophobicContact CB-CD1 3.94Å; F207-L234 HydrophobicContact CB-CD2 4.26Å; F207-L234 HydrophobicContact CB-CG 4.47Å; F207-L234 WeakPolarHBondContact O-CD2 3.36Å
208	S	95.1	Very high	97.3	Very high	31 Å²	31	32.8 Å²	32.8	22%	0.217	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.8	-172.5	68.2	0	0	0	0	114.9	T204 S205 K211	T204-S208 PolarHBondContact O-N 2.95Å; S205-S208 WeakPolarHBondContact O-CB 3.36Å; S205-S208 PolarHBondContact O-N 3.17Å; S205-S208 VanDerWaalsContact O-N 3.09Å; S205-S208 PolarHBondContact O-OG 3.4Å; S208-K211 PolarHBondContact O-NZ 2.94Å
209	K	96.8	Very high	97.3	Very high	97 Å²	97	32.1 Å²	32.1	42%	0.422	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-15	179.3	-49	-54.8	-179.4	-177.8	0	114.6	D184 F207 K211	D184-K209 HydrophobicContact CB-CG 3.86Å; D184-K209 VanDerWaalsContact CG-CG 3.46Å; D184-K209 VanDerWaalsContact O-CB 3.27Å; D184-K209 WeakPolarHBondContact O-CB 3.46Å; D184-K209 WeakPolarHBondContact O-CG 3.29Å; D184-K209 WeakPolarHBondContact OD1-CG 3.44Å; D184-K209 WeakPolarHBondContact OD2-CE 3.39Å; F207-K209 PolarHBondContact O-N 3.36Å; K209-K211 PolarHBondContact O-N 2.91Å
210	L	97.8	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.			trans	-80.5	55.7	-165.9	-53.7	-178.3	0	0	0	113	F183 L186 L189 L192 F207 N212 L213 L234	F183-L210 HydrophobicContact CB-CD1 4.41Å; F183-L210 HydrophobicContact CB-CD2 4.25Å; F183-L210 WeakPolarHBondContact O-CD2 3.41Å; L186-L210 HydrophobicContact CB-CD2 3.87Å; L186-L210 WeakPolarHBondContact O-CD2 3.27Å; L189-L210 HydrophobicContact CB-CD2 4.35Å; L189-L210 HydrophobicContact CD2-CD1 4.28Å; L189-L210 HydrophobicContact CD2-CD2 4.44Å; L192-L210 HydrophobicContact CD2-CD1 4.16Å; F207-L210 HydrophobicContact CB-CD1 4.28Å; F207-L210 HydrophobicContact CD1-CD1 3.92Å; F207-L210 PolarHBondContact O-N 2.99Å; L210-N212 PolarHBondContact O-N 2.72Å; L210-N212 VanDerWaalsContact O-N 3.09Å; L210-L213 HydrophobicContact CB-CB 4.15Å; L210-L213 HydrophobicContact CB-CD2 4.47Å; L210-L213 HydrophobicContact CD1-CD2 4.32Å; L210-L213 WeakPolarHBondContact O-CB 3.08Å; L210-L213 PolarHBondContact O-N 3.46Å; L210-L234 HydrophobicContact CB-CD2 4.05Å; L210-L234 VanDerWaalsContact O-CD2 3.28Å; L210-L234 WeakPolarHBondContact O-CD2 3.44Å
211	K	96.8	Very high	97.4	Very high	74 Å²	74	33 Å²	33	32%	0.322	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.3	-169.8	-57.8	-42.7	-168.1	-166.1	0	114.2	S208 K209 E233 N236	S208-K211 PolarHBondContact O-NZ 2.94Å; K209-K211 PolarHBondContact O-N 2.91Å; K211-E233 VanDerWaalsContact CD-O 3.3Å; K211-E233 WeakPolarHBondContact CD-O 3.4Å; K211-E233 PolarHBondContact NZ-O 3.02Å; K211-E233 IonicContact NZ-OE2 3.8Å; K211-E233 PolarHBondContact NZ-OE2 3.37Å; K211-N236 PolarHBondContact O-ND2 3.45Å
212	N	97.9	Very high	97.5	Very high	67 Å²	67	32.3 Å²	32.3	36%	0.358	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.7	-178.3	-69.9	-17	0	0	0	114.1	V187 N188 L189 N190 L210 T214	V187-N212 PolarHBondContact O-ND2 3.29Å; N188-N212 PolarHBondContact OD1-ND2 3.46Å; N188-N212 VanDerWaalsContact OD1-ND2 3.15Å; L189-N212 CarbonylContact O-C 3.49Å; L189-N212 VanDerWaalsContact O-C 3.29Å; N190-N212 PolarHBondContact ND2-O 3.38Å; L210-N212 PolarHBondContact O-N 2.72Å; L210-N212 VanDerWaalsContact O-N 3.09Å; N212-T214 PolarHBondContact O-N 3.29Å
213	L	98.4	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.			trans	-68.3	120.9	-178.4	-160.1	73.3	0	0	0	111.5	L189 L192 L210 I216 L234 N236 L237	L189-L213 HydrophobicContact CD2-CD1 4.27Å; L189-L213 HydrophobicContact CG-CD1 4.2Å; L189-L213 WeakPolarHBondContact O-CA 3.24Å; L189-L213 WeakPolarHBondContact O-CD1 3.38Å; L189-L213 PolarHBondContact O-N 3.33Å; L189-L213 VanDerWaalsContact O-N 3.12Å; L192-L213 HydrophobicContact CB-CD1 3.89Å; L210-L213 HydrophobicContact CB-CB 4.15Å; L210-L213 HydrophobicContact CB-CD2 4.47Å; L210-L213 HydrophobicContact CD1-CD2 4.32Å; L210-L213 WeakPolarHBondContact O-CB 3.08Å; L210-L213 PolarHBondContact O-N 3.46Å; L213-I216 HydrophobicContact CD2-CB 3.98Å; L213-I216 HydrophobicContact CD2-CD1 4.17Å; L213-I216 HydrophobicContact CD2-CG1 4.36Å; L213-L234 HydrophobicContact CB-CD2 4.33Å; L213-L234 HydrophobicContact CD2-CD1 4.27Å; L213-L234 HydrophobicContact CD2-CD2 4.4Å; L213-N236 CarbonylContact O-C 3.26Å; L213-N236 VanDerWaalsContact O-C 3.31Å; L213-L237 HydrophobicContact CD2-CD2 4.33Å; L213-L237 HydrophobicContact CG-CD2 4.31Å; L213-L237 PolarHBondContact O-N 3.41Å
214	T	98.2	Very high	97.6	Very high	33 Å²	33	33.3 Å²	33.3	20%	0.202	17%	0.168	C	C	.	.			trans	-106.6	-24.4	175	63.2	0	0	0	0	112.5	N190 N212 E238 E239	N190-T214 VanDerWaalsContact ND2-CG2 3.26Å; N190-T214 WeakPolarHBondContact ND2-CG2 3.43Å; N190-T214 PolarHBondContact ND2-OG1 3.44Å; N190-T214 VanDerWaalsContact ND2-OG1 3.13Å; N190-T214 PolarHBondContact O-N 2.9Å; N190-T214 PolarHBondContact O-OG1 3.45Å; N190-T214 PolarHBondContact OD1-OG1 2.84Å; N212-T214 PolarHBondContact O-N 3.29Å; T214-E238 PolarHBondContact O-N 3.05Å; T214-E239 PolarHBondContact O-N 2.72Å
215	A	98.4	Very high	97.6	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.2	178.6	0	0	0	0	0	111.7	N190 K191 L192 E239	N190-A215 PolarHBondContact O-N 3.37Å; N190-A215 VanDerWaalsContact O-N 3.15Å; K191-A215 WeakPolarHBondContact CA-O 3.45Å; K191-A215 HydrophobicContact CB-CB 4.29Å; K191-A215 HydrophobicContact CG-CB 4.13Å; L192-A215 PolarHBondContact N-O 2.81Å; A215-E239 WeakPolarHBondContact CA-O 3.08Å; A215-E239 HydrophobicContact CB-CB 4.04Å; A215-E239 HydrophobicContact CB-CG 4.46Å
216	I	98	Very high	97.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.2	170.6	-168.1	165.4	0	0	0	110.5	F207 L213 L218 F231 L237 E239 I240 S241	F207-I216 HydrophobicContact CD1-CD1 4.14Å; F207-I216 HydrophobicContact CD2-CD1 3.72Å; F207-I216 HydrophobicContact CE1-CD1 4.05Å; F207-I216 HydrophobicContact CE2-CD1 3.61Å; F207-I216 HydrophobicContact CG-CD1 4Å; F207-I216 HydrophobicContact CZ-CD1 3.78Å; L213-I216 HydrophobicContact CD2-CB 3.98Å; L213-I216 HydrophobicContact CD2-CD1 4.17Å; L213-I216 HydrophobicContact CD2-CG1 4.36Å; I216-L218 HydrophobicContact CD1-CD1 4.23Å; I216-L218 HydrophobicContact CG1-CD1 4.3Å; I216-L218 HydrophobicContact CG1-CG 4.43Å; I216-F231 HydrophobicContact CD1-CE1 4.35Å; I216-F231 HydrophobicContact CG2-CE1 4.04Å; I216-L237 HydrophobicContact CB-CD2 4.22Å; I216-L237 HydrophobicContact CG2-CD1 4.29Å; I216-L237 HydrophobicContact CG2-CD2 3.86Å; I216-E239 PolarHBondContact N-O 3.16Å; I216-I240 HydrophobicContact CG2-CG1 4.02Å; I216-I240 HydrophobicContact CG2-CG2 4.48Å; I216-S241 PolarHBondContact O-N 3.27Å; I216-S241 VanDerWaalsContact O-N 3.09Å
217	R	98.6	Very high	97.6	Very high	51 Å²	51	36.8 Å²	36.8	19%	0.192	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.6	-176.4	-62.6	-175.6	-169.4	119.1	11.9	110.8	L192 N193 L194 G195 Y219 E239	L192-R217 PolarHBondContact O-N 3.06Å; N193-R217 HydrophobicContact CB-CB 4.21Å; N193-R217 VanDerWaalsContact OD1-CB 3.24Å; N193-R217 WeakPolarHBondContact OD1-CB 3.4Å; L194-R217 CarbonylContact C-O 3.58Å; L194-R217 PolarHBondContact N-O 3.19Å; G195-R217 PolarHBondContact N-O 2.99Å; R217-Y219 HydrophobicContact CB-CD1 3.85Å; R217-Y219 HydrophobicContact CB-CE1 3.88Å; R217-Y219 HydrophobicContact CG-CE1 4.46Å; R217-E239 IonicContact CZ-OE1 2.61Å; R217-E239 IonicContact NE-OE1 3.02Å; R217-E239 PolarHBondContact NE-OE1 2.83Å; R217-E239 IonicContact NH2-OE1 2.69Å; R217-E239 PolarHBondContact NH2-OE1 3.17Å; R217-E239 IonicContact NH2-OE2 2.71Å
218	L	98.4	Very high	97.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.211	C	C	.	.			trans	-127.7	14	-177.5	-71.8	162.3	0	0	0	111.3	L194 L199 V202 I216 N221 L223 S241 L242 N245	L194-L218 HydrophobicContact CB-CD2 4.01Å; L194-L218 HydrophobicContact CD1-CD2 4.19Å; L199-L218 HydrophobicContact CD1-CD2 4.24Å; V202-L218 HydrophobicContact CG1-CD1 4.12Å; V202-L218 HydrophobicContact CG1-CD2 3.87Å; I216-L218 HydrophobicContact CD1-CD1 4.23Å; I216-L218 HydrophobicContact CG1-CD1 4.3Å; I216-L218 HydrophobicContact CG1-CG 4.43Å; L218-N221 PolarHBondContact O-ND2 2.79Å; L218-N221 VanDerWaalsContact O-ND2 3.09Å; L218-L223 HydrophobicContact CB-CD1 4.17Å; L218-S241 PolarHBondContact N-O 3.23Å; L218-L242 HydrophobicContact CB-CD2 4.02Å; L218-L242 HydrophobicContact CD1-CD2 4.17Å; L218-N245 PolarHBondContact O-ND2 2.8Å
219	Y	98.5	Very high	97.6	Very high	34 Å²	34	43.1 Å²	43.1	13%	0.133	22%	0.219	C	C	.	.			trans	-62.4	155.6	-176.8	67.9	-88.6	0	0	0	113.1	N193 G195 K196 R217 N221 S241 Q243	N193-Y219 WeakPolarHBondContact OD1-CE1 3.47Å; G195-Y219 CarbonylContact C-O 3.55Å; G195-Y219 VanDerWaalsContact C-O 3.31Å; G195-Y219 WeakPolarHBondContact CA-O 3.36Å; K196-Y219 HydrophobicContact CD-CE2 4.28Å; K196-Y219 HydrophobicContact CG-CD2 4.45Å; K196-Y219 HydrophobicContact CG-CE2 3.89Å; K196-Y219 PolarHBondContact N-O 2.99Å; R217-Y219 HydrophobicContact CB-CD1 3.85Å; R217-Y219 HydrophobicContact CB-CE1 3.88Å; R217-Y219 HydrophobicContact CG-CE1 4.46Å; Y219-N221 PolarHBondContact O-N 2.99Å; Y219-N221 PolarHBondContact O-ND2 2.79Å; Y219-S241 PolarHBondContact N-O 3.01Å; Y219-Q243 CarbonylContact C-O 3.53Å; Y219-Q243 WeakPolarHBondContact CA-O 3.25Å; Y219-Q243 VanDerWaalsContact CB-NE2 3.31Å; Y219-Q243 WeakPolarHBondContact CB-O 3.24Å
220	E	98.4	Very high	97.6	Very high	93 Å²	93	38.6 Å²	38.6	44%	0.435	20%	0.199	S	C	.	.	S	Bend	trans	51.5	52.4	178.6	-66.6	173.9	-99.7	0	0	112.4	K196 N197 Q243 G244	K196-E220 WeakPolarHBondContact CA-O 3.43Å; K196-E220 HydrophobicContact CB-CB 4.49Å; K196-E220 WeakPolarHBondContact CE-OE1 3.5Å; K196-E220 WeakPolarHBondContact CE-OE2 3.49Å; K196-E220 HydrophobicContact CG-CB 3.68Å; K196-E220 HydrophobicContact CG-CG 4.36Å; K196-E220 PolarHBondContact N-O 3.28Å; K196-E220 IonicContact NZ-OE1 3.58Å; K196-E220 IonicContact NZ-OE2 2.59Å; N197-E220 PolarHBondContact N-O 2.83Å; E220-Q243 PolarHBondContact N-O 2.87Å; E220-G244 WeakPolarHBondContact CA-O 3.37Å
221	N	98.7	Very high	97.6	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.048	20%	0.2	C	C	.	.	S	Bend	trans	-120.1	-170.9	169.9	-84.8	-84.9	0	0	0	109.3	L194 N197 L199 L218 Y219 L223 N245	L194-N221 PolarHBondContact O-ND2 2.92Å; N197-N221 WeakPolarHBondContact CA-OD1 3.31Å; N197-N221 WeakPolarHBondContact CB-OD1 3.48Å; N197-N221 PolarHBondContact O-OD1 3.27Å; L199-N221 HydrophobicContact CB-CB 4.3Å; L199-N221 VanDerWaalsContact CB-OD1 3.26Å; L199-N221 WeakPolarHBondContact CB-OD1 3.26Å; L199-N221 WeakPolarHBondContact CG-OD1 3.47Å; L199-N221 PolarHBondContact N-OD1 2.88Å; L218-N221 PolarHBondContact O-ND2 2.79Å; L218-N221 VanDerWaalsContact O-ND2 3.09Å; Y219-N221 PolarHBondContact O-N 2.99Å; Y219-N221 PolarHBondContact O-ND2 2.79Å; N221-L223 HydrophobicContact CB-CG 4.08Å; N221-N245 VanDerWaalsContact CA-OD1 3.3Å; N221-N245 WeakPolarHBondContact CA-OD1 3.4Å; N221-N245 WeakPolarHBondContact CB-OD1 3.21Å; N221-N245 PolarHBondContact N-OD1 2.91Å; N221-N245 PolarHBondContact O-OD1 3.02Å
222	Q	98.2	Very high	97.5	Very high	56 Å²	56	40.3 Å²	40.3	26%	0.262	21%	0.209	S	C	.	.			trans	-103.8	18.9	177.9	-54.7	-152	33	0	0	113.6	N198 L199 T200 T224	N198-Q222 PolarHBondContact OD1-NE2 3.29Å; L199-Q222 CarbonylContact O-C 3.26Å; L199-Q222 VanDerWaalsContact O-CA 3.32Å; L199-Q222 WeakPolarHBondContact O-CA 3.35Å; L199-Q222 PolarHBondContact O-N 2.86Å; T200-Q222 HydrophobicContact CG2-CB 4.11Å; Q222-T224 PolarHBondContact O-N 3.02Å
223	L	98.4	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.			trans	-61.5	124.6	-172.9	-54.7	179.2	0	0	0	111.9	L199 S201 V202 L218 N221 I226 N245 R246 I247	L199-L223 HydrophobicContact CB-CD2 4.01Å; L199-L223 WeakPolarHBondContact O-CD2 3.17Å; L199-L223 PolarHBondContact O-N 3.3Å; S201-L223 VanDerWaalsContact C-CD2 3.46Å; S201-L223 WeakPolarHBondContact O-CD2 2.98Å; V202-L223 HydrophobicContact CG1-CD1 3.78Å; V202-L223 HydrophobicContact CG1-CD2 3.81Å; V202-L223 HydrophobicContact CG1-CG 4.48Å; L218-L223 HydrophobicContact CB-CD1 4.17Å; N221-L223 HydrophobicContact CB-CG 4.08Å; L223-I226 HydrophobicContact CB-CD1 4.39Å; L223-I226 HydrophobicContact CD1-CD1 3.89Å; L223-N245 HydrophobicContact CB-CB 4.24Å; L223-N245 WeakPolarHBondContact CB-OD1 3.19Å; L223-N245 VanDerWaalsContact CG-OD1 3.29Å; L223-N245 WeakPolarHBondContact CG-OD1 3.42Å; L223-N245 PolarHBondContact N-OD1 3Å; L223-N245 VanDerWaalsContact N-OD1 3.11Å; L223-R246 CarbonylContact O-C 3.08Å; L223-R246 VanDerWaalsContact O-CA 3.26Å; L223-R246 WeakPolarHBondContact O-CA 3.35Å; L223-R246 PolarHBondContact O-N 3.02Å; L223-I247 HydrophobicContact CB-CG1 4.43Å; L223-I247 WeakPolarHBondContact O-CG1 3.35Å; L223-I247 PolarHBondContact O-N 3.33Å; L223-I247 VanDerWaalsContact O-N 3.14Å
224	T	97.1	Very high	97.4	Very high	72 Å²	72	41.5 Å²	41.5	44%	0.442	21%	0.213	S	C	.	.			trans	-98.6	-27.4	179.6	54.1	0	0	0	0	113.6	Q222 R246 I247 S248	Q222-T224 PolarHBondContact O-N 3.02Å; T224-R246 HydrophobicContact CG2-CB 4.15Å; T224-I247 WeakPolarHBondContact O-CA 3.44Å; T224-S248 PolarHBondContact O-N 3.1Å
225	T	96.1	Very high	97.3	Very high	89 Å²	89	42.2 Å²	42.2	55%	0.546	22%	0.218	S	C	.	.			trans	-141.9	165.7	176	59.8	0	0	0	0	110
226	I	97.2	Very high	97.3	Very high	18 Å²	18	44.2 Å²	44.2	9%	0.092	23%	0.228	C	C	.	.			trans	-130.6	130.2	176.2	-56.3	-66	0	0	0	107.5	V202 L223 L230 L242 I247 L254	V202-I226 HydrophobicContact CG2-CD1 4.12Å; L223-I226 HydrophobicContact CB-CD1 4.39Å; L223-I226 HydrophobicContact CD1-CD1 3.89Å; I226-L230 HydrophobicContact CG2-CB 4.33Å; I226-L230 HydrophobicContact CG2-CD2 3.56Å; I226-L242 HydrophobicContact CD1-CD2 3.82Å; I226-L242 HydrophobicContact CG1-CD2 4.5Å; I226-I247 HydrophobicContact CD1-CD1 3.88Å; I226-I247 HydrophobicContact CD1-CG1 4.4Å; I226-I247 HydrophobicContact CG1-CD1 3.77Å; I226-I247 HydrophobicContact CG1-CG1 4.24Å; I226-I247 HydrophobicContact CG1-CG2 4.49Å; I226-L254 HydrophobicContact CB-CD1 4.44Å; I226-L254 HydrophobicContact CB-CD2 4.37Å; I226-L254 HydrophobicContact CG2-CD1 3.57Å; I226-L254 HydrophobicContact CG2-CD2 4.13Å
227	P	96.1	Very high	97.2	Very high	40 Å²	40	44.3 Å²	44.3	26%	0.26	23%	0.229	S	C	.	.			trans	-59.2	140.3	174.1	-22.1	32.8	0	0	0	111.9	V202 D229 L230 L254	V202-P227 HydrophobicContact CG2-CG 4.48Å; V202-P227 WeakPolarHBondContact O-CG 3.48Å; P227-D229 VanDerWaalsContact C-N 3.27Å; P227-D229 WeakPolarHBondContact CB-OD1 2.94Å; P227-D229 PolarHBondContact O-N 3.24Å; P227-L230 HydrophobicContact CB-CB 4.27Å; P227-L230 VanDerWaalsContact O-CB 3.3Å; P227-L230 WeakPolarHBondContact O-CB 3.03Å; P227-L230 PolarHBondContact O-N 3.45Å; P227-L254 WeakPolarHBondContact O-CD1 3.19Å
228	E	95.9	Very high	97.1	Very high	93 Å²	93	45.3 Å²	45.3	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.4	-177.9	179.1	164	151.2	0	0	113	S251 N253	E228-S251 VanDerWaalsContact CG-OG 3.27Å; E228-S251 WeakPolarHBondContact CG-OG 3.45Å; E228-S251 PolarHBondContact OE2-OG 3.12Å; E228-N253 HydrophobicContact CG-CB 3.94Å; E228-N253 WeakPolarHBondContact OE1-CB 3.16Å; E228-N253 PolarHBondContact OE1-ND2 3.12Å
229	D	96	Very high	97	Very high	72 Å²	72	46.4 Å²	46.4	39%	0.385	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.3	-178.8	65.1	-18.2	0	0	0	114	T204 P227 F231 M232	T204-D229 HydrophobicContact CG2-CB 4.3Å; T204-D229 PolarHBondContact OG1-OD1 2.82Å; P227-D229 VanDerWaalsContact C-N 3.27Å; P227-D229 WeakPolarHBondContact CB-OD1 2.94Å; P227-D229 PolarHBondContact O-N 3.24Å; D229-F231 PolarHBondContact O-N 3.02Å; D229-M232 HydrophobicContact CB-CB 4.46Å; D229-M232 HydrophobicContact CB-CE 4.26Å; D229-M232 WeakPolarHBondContact O-CB 3.15Å; D229-M232 PolarHBondContact O-N 3.12Å
230	L	97.3	Very high	96.9	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.6	-171.6	-170.5	69.7	0	0	0	114	V202 T204 F207 I226 P227	V202-L230 HydrophobicContact CB-CD1 4.41Å; V202-L230 HydrophobicContact CB-CD2 4.4Å; V202-L230 HydrophobicContact CG2-CD1 4.18Å; V202-L230 HydrophobicContact CG2-CD2 3.63Å; T204-L230 WeakPolarHBondContact OG1-CA 3.09Å; F207-L230 HydrophobicContact CD2-CD1 3.67Å; F207-L230 HydrophobicContact CD2-CG 4.12Å; F207-L230 HydrophobicContact CE2-CD1 3.77Å; F207-L230 HydrophobicContact CE2-CD2 4.43Å; F207-L230 HydrophobicContact CE2-CG 4.28Å; I226-L230 HydrophobicContact CG2-CB 4.33Å; I226-L230 HydrophobicContact CG2-CD2 3.56Å; P227-L230 HydrophobicContact CB-CB 4.27Å; P227-L230 VanDerWaalsContact O-CB 3.3Å; P227-L230 WeakPolarHBondContact O-CB 3.03Å; P227-L230 PolarHBondContact O-N 3.45Å
231	F	96.9	Very high	96.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	4.6	-179.2	-51.6	-43.8	0	0	0	113.4	I216 D229 E233 L234 L237 I240 L242 L254 F255 H257	I216-F231 HydrophobicContact CD1-CE1 4.35Å; I216-F231 HydrophobicContact CG2-CE1 4.04Å; D229-F231 PolarHBondContact O-N 3.02Å; F231-E233 VanDerWaalsContact C-N 3.35Å; F231-E233 PolarHBondContact O-N 3.27Å; F231-L234 HydrophobicContact CD1-CD1 4.15Å; F231-L234 PolarHBondContact O-N 3.2Å; F231-L237 HydrophobicContact CB-CD1 4.23Å; F231-L237 HydrophobicContact CD1-CD1 4.03Å; F231-L237 HydrophobicContact CG-CD1 4.26Å; F231-I240 HydrophobicContact CD2-CD1 3.95Å; F231-I240 HydrophobicContact CE2-CD1 4.05Å; F231-I240 HydrophobicContact CE2-CG2 4.1Å; F231-I240 HydrophobicContact CG-CD1 4.29Å; F231-I240 HydrophobicContact CZ-CD1 4.45Å; F231-I240 HydrophobicContact CZ-CG2 3.94Å; F231-L242 HydrophobicContact CE2-CD1 4.41Å; F231-L242 HydrophobicContact CZ-CD1 4.41Å; F231-L254 HydrophobicContact CD2-CD1 3.68Å; F231-L254 HydrophobicContact CD2-CG 3.99Å; F231-L254 WeakPolarHBondContact CD2-O 3.42Å; F231-L254 HydrophobicContact CE2-CD1 3.8Å; F231-L254 HydrophobicContact CE2-CD2 4.45Å; F231-L254 HydrophobicContact CE2-CG 4.06Å; F231-F255 HydrophobicContact CD2-CD1 4.01Å; F231-F255 AromaticContact CD2-CE1 3.89Å; F231-F255 HydrophobicContact CD2-CE1 3.89Å; F231-F255 HydrophobicContact CE2-CD1 4.37Å; F231-F255 AromaticContact CE2-CE1 3.78Å; F231-F255 HydrophobicContact CE2-CE1 3.78Å; F231-H257 PolarHBondContact O-CD2 3.36Å
232	M	95.8	Very high	96.7	Very high	105 Å²	105	40.3 Å²	40.3	52%	0.517	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-42.3	179.9	-173.7	177.9	-65.7	0	0	111.9	D229 L234 H257	D229-M232 HydrophobicContact CB-CB 4.46Å; D229-M232 HydrophobicContact CB-CE 4.26Å; D229-M232 WeakPolarHBondContact O-CB 3.15Å; D229-M232 PolarHBondContact O-N 3.12Å; M232-L234 VanDerWaalsContact C-N 3.29Å; M232-L234 PolarHBondContact O-N 3.48Å; M232-H257 PolarHBondContact O-NE2 2.86Å
233	E	96.3	Very high	96.7	Very high	91 Å²	91	39.6 Å²	39.6	43%	0.425	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	9.6	-174.4	-76.1	-58.1	147.2	0	0	114.3	K211 F231 P235	K211-E233 VanDerWaalsContact CD-O 3.3Å; K211-E233 WeakPolarHBondContact CD-O 3.4Å; K211-E233 PolarHBondContact NZ-O 3.02Å; K211-E233 IonicContact NZ-OE2 3.8Å; K211-E233 PolarHBondContact NZ-OE2 3.37Å; F231-E233 VanDerWaalsContact C-N 3.35Å; F231-E233 PolarHBondContact O-N 3.27Å; E233-P235 VanDerWaalsContact C-CD 3.47Å; E233-P235 VanDerWaalsContact O-CD 3.22Å; E233-P235 WeakPolarHBondContact O-CD 3.29Å
234	L	97.1	Very high	96.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.222	C	C	.	.			trans	-118.4	69.4	-173.4	-62	178	0	0	0	112.7	F207 L210 L213 F231 M232 N236 L237	F207-L234 HydrophobicContact CB-CD1 3.94Å; F207-L234 HydrophobicContact CB-CD2 4.26Å; F207-L234 HydrophobicContact CB-CG 4.47Å; F207-L234 WeakPolarHBondContact O-CD2 3.36Å; L210-L234 HydrophobicContact CB-CD2 4.05Å; L210-L234 VanDerWaalsContact O-CD2 3.28Å; L210-L234 WeakPolarHBondContact O-CD2 3.44Å; L213-L234 HydrophobicContact CB-CD2 4.33Å; L213-L234 HydrophobicContact CD2-CD1 4.27Å; L213-L234 HydrophobicContact CD2-CD2 4.4Å; F231-L234 HydrophobicContact CD1-CD1 4.15Å; F231-L234 PolarHBondContact O-N 3.2Å; M232-L234 VanDerWaalsContact C-N 3.29Å; M232-L234 PolarHBondContact O-N 3.48Å; L234-N236 PolarHBondContact O-N 3.17Å; L234-L237 HydrophobicContact CB-CD1 3.75Å; L234-L237 HydrophobicContact CB-CG 3.97Å; L234-L237 HydrophobicContact CD1-CD1 3.87Å; L234-L237 HydrophobicContact CD1-CG 4.49Å; L234-L237 HydrophobicContact CG-CD1 4.49Å
235	P	96.5	Very high	96.8	Very high	48 Å²	48	37.8 Å²	37.8	31%	0.312	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	5.6	-169.5	32.5	-39.2	0	0	0	115.1	E233 K260	E233-P235 VanDerWaalsContact C-CD 3.47Å; E233-P235 VanDerWaalsContact O-CD 3.22Å; E233-P235 WeakPolarHBondContact O-CD 3.29Å; P235-K260 VanDerWaalsContact O-CD 3.29Å; P235-K260 WeakPolarHBondContact O-CD 3.34Å; P235-K260 WeakPolarHBondContact O-CE 3.38Å; P235-K260 PolarHBondContact O-NZ 3.25Å
236	N	97.3	Very high	96.9	Very high	48 Å²	48	39.3 Å²	39.3	26%	0.257	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	1.6	-174.9	-77.4	-49.1	0	0	0	115	K211 L213 L234 E238 K260	K211-N236 PolarHBondContact O-ND2 3.45Å; L213-N236 CarbonylContact O-C 3.26Å; L213-N236 VanDerWaalsContact O-C 3.31Å; L234-N236 PolarHBondContact O-N 3.17Å; N236-E238 PolarHBondContact O-N 3.17Å; N236-K260 PolarHBondContact OD1-NZ 3.48Å
237	L	97.3	Very high	96.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.195	C	C	.	.			trans	-59.9	128.6	-177.2	-72.6	172.7	0	0	0	113.6	L213 I216 F231 L234 I240 K260 L261	L213-L237 HydrophobicContact CD2-CD2 4.33Å; L213-L237 HydrophobicContact CG-CD2 4.31Å; L213-L237 PolarHBondContact O-N 3.41Å; I216-L237 HydrophobicContact CB-CD2 4.22Å; I216-L237 HydrophobicContact CG2-CD1 4.29Å; I216-L237 HydrophobicContact CG2-CD2 3.86Å; F231-L237 HydrophobicContact CB-CD1 4.23Å; F231-L237 HydrophobicContact CD1-CD1 4.03Å; F231-L237 HydrophobicContact CG-CD1 4.26Å; L234-L237 HydrophobicContact CB-CD1 3.75Å; L234-L237 HydrophobicContact CB-CG 3.97Å; L234-L237 HydrophobicContact CD1-CD1 3.87Å; L234-L237 HydrophobicContact CD1-CG 4.49Å; L234-L237 HydrophobicContact CG-CD1 4.49Å; L237-I240 HydrophobicContact CD1-CD1 4.02Å; L237-I240 HydrophobicContact CD1-CG1 4.12Å; L237-K260 CarbonylContact O-C 3.23Å; L237-K260 VanDerWaalsContact O-CB 3.27Å; L237-K260 WeakPolarHBondContact O-CB 3.32Å; L237-L261 HydrophobicContact CB-CD2 3.95Å; L237-L261 WeakPolarHBondContact O-CD2 3.49Å
238	E	96.3	Very high	96.9	Very high	71 Å²	71	39.2 Å²	39.2	33%	0.332	20%	0.201	S	C	.	.			trans	-114.1	-22	171.7	-60.3	-150.1	135.5	0	0	112.3	T214 N236 I262 K263 K284	T214-E238 PolarHBondContact O-N 3.05Å; N236-E238 PolarHBondContact O-N 3.17Å; E238-I262 HydrophobicContact CB-CD1 4.16Å; E238-I262 HydrophobicContact CB-CG1 4.12Å; E238-I262 HydrophobicContact CG-CD1 4.35Å; E238-I262 WeakPolarHBondContact O-CA 3.26Å; E238-I262 PolarHBondContact O-N 3.37Å; E238-I262 VanDerWaalsContact OE2-CD1 3.32Å; E238-I262 WeakPolarHBondContact OE2-CD1 3.47Å; E238-K263 PolarHBondContact O-N 3.43Å; E238-K284 IonicContact OE1-NZ 2.7Å; E238-K284 PolarHBondContact OE1-NZ 2.66Å
239	E	95.6	Very high	96.9	Very high	24 Å²	24	37.5 Å²	37.5	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	119.9	-178.3	177.9	174.4	127	0	0	111.7	T214 A215 I216 R217 K263	T214-E239 PolarHBondContact O-N 2.72Å; A215-E239 WeakPolarHBondContact CA-O 3.08Å; A215-E239 HydrophobicContact CB-CB 4.04Å; A215-E239 HydrophobicContact CB-CG 4.46Å; I216-E239 PolarHBondContact N-O 3.16Å; R217-E239 IonicContact CZ-OE1 2.61Å; R217-E239 IonicContact NE-OE1 3.02Å; R217-E239 PolarHBondContact NE-OE1 2.83Å; R217-E239 IonicContact NH2-OE1 2.69Å; R217-E239 PolarHBondContact NH2-OE1 3.17Å; R217-E239 IonicContact NH2-OE2 2.71Å; E239-K263 HydrophobicContact CB-CB 4.45Å; E239-K263 HydrophobicContact CG-CB 4.24Å; E239-K263 HydrophobicContact CG-CD 4.15Å; E239-K263 WeakPolarHBondContact OE2-CD 3.33Å; E239-K263 VanDerWaalsContact OE2-CE 3.32Å; E239-K263 WeakPolarHBondContact OE2-CE 3.32Å; E239-K263 IonicContact OE2-NZ 2.59Å; E239-K263 PolarHBondContact OE2-NZ 2.7Å
240	I	95.9	Very high	96.9	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.3	170.1	-61.6	172.5	0	0	0	108.4	I216 F231 L237 L242 F255 L261 K263 L264 I265	I216-I240 HydrophobicContact CG2-CG1 4.02Å; I216-I240 HydrophobicContact CG2-CG2 4.48Å; F231-I240 HydrophobicContact CD2-CD1 3.95Å; F231-I240 HydrophobicContact CE2-CD1 4.05Å; F231-I240 HydrophobicContact CE2-CG2 4.1Å; F231-I240 HydrophobicContact CG-CD1 4.29Å; F231-I240 HydrophobicContact CZ-CD1 4.45Å; F231-I240 HydrophobicContact CZ-CG2 3.94Å; L237-I240 HydrophobicContact CD1-CD1 4.02Å; L237-I240 HydrophobicContact CD1-CG1 4.12Å; I240-L242 HydrophobicContact CG2-CD1 3.86Å; I240-L242 HydrophobicContact CG2-CG 3.99Å; I240-F255 HydrophobicContact CD1-CD1 3.72Å; I240-F255 HydrophobicContact CD1-CE1 3.66Å; I240-F255 HydrophobicContact CG2-CE1 4.34Å; I240-L261 HydrophobicContact CD1-CD1 3.99Å; I240-L261 HydrophobicContact CD1-CD2 3.73Å; I240-L261 HydrophobicContact CG1-CD2 3.79Å; I240-K263 PolarHBondContact N-O 3.45Å; I240-K263 VanDerWaalsContact N-O 3.14Å; I240-L264 HydrophobicContact CB-CD1 4.22Å; I240-L264 HydrophobicContact CG2-CD1 4.29Å; I240-I265 PolarHBondContact O-N 2.78Å; I240-I265 VanDerWaalsContact O-N 3.09Å
241	S	96.9	Very high	96.8	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	106.4	179.9	-57	0	0	0	0	110.7	I216 L218 Y219 Q243	I216-S241 PolarHBondContact O-N 3.27Å; I216-S241 VanDerWaalsContact O-N 3.09Å; L218-S241 PolarHBondContact N-O 3.23Å; Y219-S241 PolarHBondContact N-O 3.01Å; S241-Q243 VanDerWaalsContact CB-OE1 3.28Å
242	L	97.3	Very high	96.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.218	C	C	.	.			trans	-118.5	6.5	-177.6	-72.9	165.7	0	0	0	112.6	L218 I226 F231 I240 N245 I247 I265 L266 N269	L218-L242 HydrophobicContact CB-CD2 4.02Å; L218-L242 HydrophobicContact CD1-CD2 4.17Å; I226-L242 HydrophobicContact CD1-CD2 3.82Å; I226-L242 HydrophobicContact CG1-CD2 4.5Å; F231-L242 HydrophobicContact CE2-CD1 4.41Å; F231-L242 HydrophobicContact CZ-CD1 4.41Å; I240-L242 HydrophobicContact CG2-CD1 3.86Å; I240-L242 HydrophobicContact CG2-CG 3.99Å; L242-N245 PolarHBondContact O-ND2 3.08Å; L242-I247 HydrophobicContact CB-CD1 4.13Å; L242-I247 HydrophobicContact CD2-CD1 4.26Å; L242-I265 PolarHBondContact N-O 2.83Å; L242-L266 HydrophobicContact CB-CD2 4.25Å; L242-L266 HydrophobicContact CD1-CD2 4.13Å; L242-N269 PolarHBondContact O-ND2 2.82Å
243	Q	97.6	Very high	96.4	Very high	40 Å²	40	39 Å²	39	19%	0.187	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	150.9	-173	71	-77.3	3.4	0	0	114	Y219 E220 S241 I265 D267	Y219-Q243 CarbonylContact C-O 3.53Å; Y219-Q243 WeakPolarHBondContact CA-O 3.25Å; Y219-Q243 VanDerWaalsContact CB-NE2 3.31Å; Y219-Q243 WeakPolarHBondContact CB-O 3.24Å; E220-Q243 PolarHBondContact N-O 2.87Å; S241-Q243 VanDerWaalsContact CB-OE1 3.28Å; Q243-I265 HydrophobicContact CB-CG2 3.94Å; Q243-I265 HydrophobicContact CG-CG2 4.01Å; Q243-I265 PolarHBondContact N-O 3.23Å; Q243-D267 CarbonylContact C-O 3.49Å; Q243-D267 WeakPolarHBondContact CA-O 3.48Å; Q243-D267 HydrophobicContact CB-CB 4Å; Q243-D267 WeakPolarHBondContact CB-O 3.45Å
244	G	98	Very high	96.3	Very high	25 Å²	25	34.7 Å²	34.7	26%	0.258	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	25.7	178	0	0	0	0	0	114.3	E220 D267 S268	E220-G244 WeakPolarHBondContact CA-O 3.37Å; G244-D267 PolarHBondContact N-O 2.9Å; G244-S268 CarbonylContact C-O 3.5Å; G244-S268 WeakPolarHBondContact CA-O 3.19Å; G244-S268 PolarHBondContact N-O 2.94Å
245	N	98.6	Very high	96.2	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.048	20%	0.2	C	C	.	.	S	Bend	trans	-104.2	-166.5	175.4	-83.5	-76.7	0	0	0	110.6	L218 N221 L223 L242 I247 S268 N269	L218-N245 PolarHBondContact O-ND2 2.8Å; N221-N245 VanDerWaalsContact CA-OD1 3.3Å; N221-N245 WeakPolarHBondContact CA-OD1 3.4Å; N221-N245 WeakPolarHBondContact CB-OD1 3.21Å; N221-N245 PolarHBondContact N-OD1 2.91Å; N221-N245 PolarHBondContact O-OD1 3.02Å; L223-N245 HydrophobicContact CB-CB 4.24Å; L223-N245 WeakPolarHBondContact CB-OD1 3.19Å; L223-N245 VanDerWaalsContact CG-OD1 3.29Å; L223-N245 WeakPolarHBondContact CG-OD1 3.42Å; L223-N245 PolarHBondContact N-OD1 3Å; L223-N245 VanDerWaalsContact N-OD1 3.11Å; L242-N245 PolarHBondContact O-ND2 3.08Å; N245-I247 HydrophobicContact CB-CD1 4.06Å; N245-I247 HydrophobicContact CB-CG1 3.94Å; N245-S268 PolarHBondContact N-O 3.1Å; N245-N269 WeakPolarHBondContact CA-OD1 3.34Å; N245-N269 WeakPolarHBondContact CB-OD1 3.42Å; N245-N269 PolarHBondContact O-OD1 3Å
246	R	98.1	Very high	96	Very high	121 Å²	121	35.7 Å²	35.7	46%	0.457	21%	0.205	S	C	.	.			trans	-115.2	26.4	177.7	-61.2	-171.9	-172.9	143.8	11.8	112.3	L223 T224 S248 L270	L223-R246 CarbonylContact O-C 3.08Å; L223-R246 VanDerWaalsContact O-CA 3.26Å; L223-R246 WeakPolarHBondContact O-CA 3.35Å; L223-R246 PolarHBondContact O-N 3.02Å; T224-R246 HydrophobicContact CG2-CB 4.15Å; R246-S248 PolarHBondContact O-N 2.86Å; R246-L270 HydrophobicContact CB-CD1 3.85Å; R246-L270 HydrophobicContact CB-CG 4.46Å; R246-L270 HydrophobicContact CG-CD1 4.38Å
247	I	98.1	Very high	95.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.207	C	C	.	.			trans	-68.9	119	-172.9	-55.2	165.2	0	0	0	108.8	L223 T224 I226 L242 N245 A249 L250 N269 L270 L271	L223-I247 HydrophobicContact CB-CG1 4.43Å; L223-I247 WeakPolarHBondContact O-CG1 3.35Å; L223-I247 PolarHBondContact O-N 3.33Å; L223-I247 VanDerWaalsContact O-N 3.14Å; T224-I247 WeakPolarHBondContact O-CA 3.44Å; I226-I247 HydrophobicContact CD1-CD1 3.88Å; I226-I247 HydrophobicContact CD1-CG1 4.4Å; I226-I247 HydrophobicContact CG1-CD1 3.77Å; I226-I247 HydrophobicContact CG1-CG1 4.24Å; I226-I247 HydrophobicContact CG1-CG2 4.49Å; L242-I247 HydrophobicContact CB-CD1 4.13Å; L242-I247 HydrophobicContact CD2-CD1 4.26Å; N245-I247 HydrophobicContact CB-CD1 4.06Å; N245-I247 HydrophobicContact CB-CG1 3.94Å; I247-A249 VanDerWaalsContact CG2-O 3.22Å; I247-A249 WeakPolarHBondContact CG2-O 3.24Å; I247-L250 HydrophobicContact CG2-CD2 3.73Å; I247-N269 HydrophobicContact CB-CB 4.47Å; I247-N269 VanDerWaalsContact CB-OD1 3.3Å; I247-N269 WeakPolarHBondContact CB-OD1 3.12Å; I247-N269 WeakPolarHBondContact CG1-OD1 3.39Å; I247-N269 PolarHBondContact N-OD1 2.82Å; I247-L270 CarbonylContact O-C 3.21Å; I247-L270 VanDerWaalsContact O-C 3.26Å; I247-L270 WeakPolarHBondContact O-CA 3.38Å; I247-L270 PolarHBondContact O-N 3.19Å; I247-L271 HydrophobicContact CB-CD2 4.49Å; I247-L271 HydrophobicContact CG2-CD2 4Å; I247-L271 WeakPolarHBondContact O-CD2 3.42Å; I247-L271 PolarHBondContact O-N 3.05Å
248	S	96.4	Very high	95.5	Very high	56 Å²	56	38.5 Å²	38.5	39%	0.392	22%	0.215	S	C	.	.			trans	-94	-24.1	-176.2	57.4	0	0	0	0	114.3	T224 R246 L271 T272	T224-S248 PolarHBondContact O-N 3.1Å; R246-S248 PolarHBondContact O-N 2.86Å; S248-L271 WeakPolarHBondContact O-CA 3.32Å; S248-T272 PolarHBondContact O-N 3.02Å
249	A	96	Very high	95.3	Very high	56 Å²	56	37.2 Å²	37.2	46%	0.463	22%	0.221	S	C	.	.			trans	-151.2	158.4	176	0	0	0	0	0	110.6	I247	I247-A249 VanDerWaalsContact CG2-O 3.22Å; I247-A249 WeakPolarHBondContact CG2-O 3.24Å
250	L	95.7	Very high	95.2	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	23%	0.231	C	C	.	.			trans	-118.7	139.4	173.9	-56.8	172.6	0	0	0	109.6	I247 L254 L266 L271 L274 Y278	I247-L250 HydrophobicContact CG2-CD2 3.73Å; L250-L254 HydrophobicContact CB-CD2 4.45Å; L250-L254 HydrophobicContact CD2-CD2 4.01Å; L250-L266 HydrophobicContact CD1-CD1 3.97Å; L250-L266 HydrophobicContact CD1-CD2 4.18Å; L250-L271 HydrophobicContact CD1-CD1 4.04Å; L250-L271 HydrophobicContact CD1-CD2 4.35Å; L250-L271 HydrophobicContact CD2-CD2 4.22Å; L250-L271 HydrophobicContact CG-CD1 4.39Å; L250-L271 HydrophobicContact CG-CD2 3.79Å; L250-L274 HydrophobicContact CD1-CD2 4.42Å; L250-Y278 HydrophobicContact CB-CE1 4.29Å; L250-Y278 VanDerWaalsContact CB-OH 3.3Å; L250-Y278 WeakPolarHBondContact CB-OH 3.47Å; L250-Y278 HydrophobicContact CD1-CE1 3.7Å
251	S	94.9	Very high	95.1	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.154	23%	0.232	C	C	.	.			trans	-67.4	140.9	172.2	168.8	0	0	0	0	110.9	E228 N253 L254 Y278	E228-S251 VanDerWaalsContact CG-OG 3.27Å; E228-S251 WeakPolarHBondContact CG-OG 3.45Å; E228-S251 PolarHBondContact OE2-OG 3.12Å; S251-N253 PolarHBondContact O-N 2.8Å; S251-N253 PolarHBondContact OG-N 3.35Å; S251-L254 WeakPolarHBondContact O-CB 3.33Å; S251-L254 PolarHBondContact O-N 3.26Å; S251-Y278 VanDerWaalsContact O-CE2 3.25Å; S251-Y278 WeakPolarHBondContact O-CE2 3.18Å; S251-Y278 PolarHBondContact O-OH 3.13Å
252	P	92.8	Very high	94.9	Very high	76 Å²	76	41.8 Å²	41.8	49%	0.494	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-37.9	174.3	-28.1	35.1	0	0	0	114.7	P275 Y278	P252-P275 HydrophobicContact CB-CB 4.28Å; P252-P275 HydrophobicContact CB-CG 4.44Å; P252-P275 HydrophobicContact CG-CB 4.09Å; P252-P275 HydrophobicContact CG-CG 4.07Å; P252-Y278 WeakPolarHBondContact O-CE2 3.26Å
253	N	91.1	Very high	94.6	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	0.3	-172.3	-58.2	-45.8	0	0	0	114.3	E228 S251 F255 P256	E228-N253 HydrophobicContact CG-CB 3.94Å; E228-N253 WeakPolarHBondContact OE1-CB 3.16Å; E228-N253 PolarHBondContact OE1-ND2 3.12Å; S251-N253 PolarHBondContact O-N 2.8Å; S251-N253 PolarHBondContact OG-N 3.35Å; N253-F255 PolarHBondContact O-N 2.87Å; N253-P256 WeakPolarHBondContact O-CD 3.17Å
254	L	94.8	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-53.3	-27.7	-172.3	179.4	60.7	0	0	0	114.4	I226 P227 F231 L250 S251 P256	I226-L254 HydrophobicContact CB-CD1 4.44Å; I226-L254 HydrophobicContact CB-CD2 4.37Å; I226-L254 HydrophobicContact CG2-CD1 3.57Å; I226-L254 HydrophobicContact CG2-CD2 4.13Å; P227-L254 WeakPolarHBondContact O-CD1 3.19Å; F231-L254 HydrophobicContact CD2-CD1 3.68Å; F231-L254 HydrophobicContact CD2-CG 3.99Å; F231-L254 WeakPolarHBondContact CD2-O 3.42Å; F231-L254 HydrophobicContact CE2-CD1 3.8Å; F231-L254 HydrophobicContact CE2-CD2 4.45Å; F231-L254 HydrophobicContact CE2-CG 4.06Å; L250-L254 HydrophobicContact CB-CD2 4.45Å; L250-L254 HydrophobicContact CD2-CD2 4.01Å; S251-L254 WeakPolarHBondContact O-CB 3.33Å; S251-L254 PolarHBondContact O-N 3.26Å; L254-P256 VanDerWaalsContact C-CD 3.44Å; L254-P256 WeakPolarHBondContact O-CD 2.96Å
255	F	94.1	Very high	94.1	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	25%	0.252	C	S	.	.			trans	-113.8	78.3	179.3	-55.4	-59.2	0	0	0	111.8	F231 I240 N253 K258 L261 L264 Y278 F282	F231-F255 HydrophobicContact CD2-CD1 4.01Å; F231-F255 AromaticContact CD2-CE1 3.89Å; F231-F255 HydrophobicContact CD2-CE1 3.89Å; F231-F255 HydrophobicContact CE2-CD1 4.37Å; F231-F255 AromaticContact CE2-CE1 3.78Å; F231-F255 HydrophobicContact CE2-CE1 3.78Å; I240-F255 HydrophobicContact CD1-CD1 3.72Å; I240-F255 HydrophobicContact CD1-CE1 3.66Å; I240-F255 HydrophobicContact CG2-CE1 4.34Å; N253-F255 PolarHBondContact O-N 2.87Å; F255-K258 HydrophobicContact CB-CG 4.33Å; F255-K258 WeakPolarHBondContact O-CE 3.41Å; F255-K258 WeakPolarHBondContact O-CG 3.06Å; F255-L261 HydrophobicContact CD1-CD1 4.36Å; F255-L264 HydrophobicContact CD2-CD2 4.37Å; F255-L264 HydrophobicContact CE1-CD1 3.88Å; F255-L264 HydrophobicContact CE2-CD1 4.17Å; F255-L264 HydrophobicContact CE2-CD2 3.98Å; F255-L264 HydrophobicContact CZ-CD1 3.56Å; F255-L264 HydrophobicContact CZ-CD2 4.22Å; F255-Y278 HydrophobicContact CD2-CE1 4.04Å; F255-Y278 AromaticContact CD2-CZ 3.84Å; F255-Y278 AromaticContact CE2-CE1 3.77Å; F255-Y278 HydrophobicContact CE2-CE1 3.77Å; F255-Y278 AromaticContact CE2-CZ 3.78Å; F255-Y278 VanDerWaalsContact CE2-OH 3.29Å; F255-Y278 WeakPolarHBondContact CE2-OH 3.32Å; F255-F282 HydrophobicContact CB-CZ 4.08Å; F255-F282 HydrophobicContact CD2-CZ 4.29Å; F255-F282 HydrophobicContact CG-CZ 4.31Å
256	P	92.3	Very high	93.9	Very high	64 Å²	64	45.1 Å²	45.1	42%	0.416	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-38.4	178.5	24.2	-28.7	0	0	0	112.2	N253 L254 K258	N253-P256 WeakPolarHBondContact O-CD 3.17Å; L254-P256 VanDerWaalsContact C-CD 3.44Å; L254-P256 WeakPolarHBondContact O-CD 2.96Å; P256-K258 VanDerWaalsContact C-N 3.31Å; P256-K258 PolarHBondContact O-N 2.98Å; P256-K258 VanDerWaalsContact O-N 3.14Å
257	H	93.4	Very high	93.8	Very high	67 Å²	67	40.8 Å²	40.8	31%	0.31	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	39.4	-172	-60.1	-60.3	0	0	0	114.5	F231 M232 G259 K260	F231-H257 PolarHBondContact O-CD2 3.36Å; M232-H257 PolarHBondContact O-NE2 2.86Å; H257-G259 PolarHBondContact O-N 3.22Å; H257-K260 PolarHBondContact O-N 2.76Å
258	K	92.4	Very high	93.8	Very high	44 Å²	44	43 Å²	43	19%	0.191	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-30.2	-172.6	-53.7	-170.3	-178.1	-169.2	0	114.8	F255 P256 K260 L261 Y278 V280 G281 F282	F255-K258 HydrophobicContact CB-CG 4.33Å; F255-K258 WeakPolarHBondContact O-CE 3.41Å; F255-K258 WeakPolarHBondContact O-CG 3.06Å; P256-K258 VanDerWaalsContact C-N 3.31Å; P256-K258 PolarHBondContact O-N 2.98Å; P256-K258 VanDerWaalsContact O-N 3.14Å; K258-K260 VanDerWaalsContact C-N 3.25Å; K258-K260 PolarHBondContact O-N 3.17Å; K258-L261 PolarHBondContact O-N 3.04Å; K258-Y278 PolarHBondContact NZ-O 2.84Å; K258-V280 WeakPolarHBondContact CD-O 3.42Å; K258-V280 PolarHBondContact NZ-O 3.37Å; K258-G281 WeakPolarHBondContact CB-O 3.5Å; K258-F282 HydrophobicContact CB-CD1 4.07Å; K258-F282 HydrophobicContact CB-CD2 4.43Å; K258-F282 HydrophobicContact CB-CE1 4.11Å; K258-F282 HydrophobicContact CB-CE2 4.45Å; K258-F282 HydrophobicContact CB-CG 4.27Å; K258-F282 HydrophobicContact CB-CZ 4.31Å; K258-F282 HydrophobicContact CD-CD2 3.87Å; K258-F282 HydrophobicContact CD-CE2 3.58Å; K258-F282 HydrophobicContact CD-CZ 4.01Å; K258-F282 HydrophobicContact CG-CD2 4.4Å; K258-F282 HydrophobicContact CG-CE1 4.2Å; K258-F282 HydrophobicContact CG-CE2 4.02Å; K258-F282 HydrophobicContact CG-CZ 3.92Å
259	G	92.3	Very high	93.9	Very high	44 Å²	44	40.6 Å²	40.6	45%	0.454	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19	-176.8	0	0	0	0	0	116.3	H257 K284	H257-G259 PolarHBondContact O-N 3.22Å; G259-K284 WeakPolarHBondContact O-CD 3.36Å; G259-K284 WeakPolarHBondContact O-CE 3.45Å
260	K	93.1	Very high	94	Very high	75 Å²	75	41.1 Å²	41.1	33%	0.326	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-23.6	177.1	-73.7	-179.5	-172.4	166.5	0	114.7	P235 N236 L237 H257 K258 I262 K284	P235-K260 VanDerWaalsContact O-CD 3.29Å; P235-K260 WeakPolarHBondContact O-CD 3.34Å; P235-K260 WeakPolarHBondContact O-CE 3.38Å; P235-K260 PolarHBondContact O-NZ 3.25Å; N236-K260 PolarHBondContact OD1-NZ 3.48Å; L237-K260 CarbonylContact O-C 3.23Å; L237-K260 VanDerWaalsContact O-CB 3.27Å; L237-K260 WeakPolarHBondContact O-CB 3.32Å; H257-K260 PolarHBondContact O-N 2.76Å; K258-K260 VanDerWaalsContact C-N 3.25Å; K258-K260 PolarHBondContact O-N 3.17Å; K260-I262 WeakPolarHBondContact O-CG1 3.3Å; K260-I262 PolarHBondContact O-N 2.93Å; K260-K284 VanDerWaalsContact O-CD 3.26Å; K260-K284 WeakPolarHBondContact O-CD 3.26Å
261	L	94	Very high	94.1	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	23%	0.225	C	C	.	.			trans	-63.2	123.5	-173.4	-71	168.6	0	0	0	113.2	L237 I240 F255 K258 F282 K284 V285	L237-L261 HydrophobicContact CB-CD2 3.95Å; L237-L261 WeakPolarHBondContact O-CD2 3.49Å; I240-L261 HydrophobicContact CD1-CD1 3.99Å; I240-L261 HydrophobicContact CD1-CD2 3.73Å; I240-L261 HydrophobicContact CG1-CD2 3.79Å; F255-L261 HydrophobicContact CD1-CD1 4.36Å; K258-L261 PolarHBondContact O-N 3.04Å; L261-F282 HydrophobicContact CB-CD1 4.18Å; L261-F282 HydrophobicContact CB-CE1 4.05Å; L261-F282 HydrophobicContact CD1-CE1 3.7Å; L261-F282 HydrophobicContact CD1-CZ 4.5Å; L261-K284 CarbonylContact O-C 3.54Å; L261-K284 WeakPolarHBondContact O-CB 3.32Å; L261-V285 WeakPolarHBondContact O-CG2 3.14Å; L261-V285 PolarHBondContact O-N 3.25Å
262	I	92.6	Very high	94.2	Very high	50 Å²	50	42.3 Å²	42.3	26%	0.256	24%	0.236	S	C	.	.	S	Bend	trans	-104.4	-33.2	178.9	-53	-177.6	0	0	0	110.7	E238 K260 K284 V285 K286	E238-I262 HydrophobicContact CB-CD1 4.16Å; E238-I262 HydrophobicContact CB-CG1 4.12Å; E238-I262 HydrophobicContact CG-CD1 4.35Å; E238-I262 WeakPolarHBondContact O-CA 3.26Å; E238-I262 PolarHBondContact O-N 3.37Å; E238-I262 VanDerWaalsContact OE2-CD1 3.32Å; E238-I262 WeakPolarHBondContact OE2-CD1 3.47Å; K260-I262 WeakPolarHBondContact O-CG1 3.3Å; K260-I262 PolarHBondContact O-N 2.93Å; I262-K284 HydrophobicContact CG1-CB 4.27Å; I262-K284 HydrophobicContact CG1-CD 4.17Å; I262-V285 WeakPolarHBondContact O-CA 3.12Å; I262-K286 PolarHBondContact O-N 3.07Å
263	K	90.4	Very high	94.4	Very high	101 Å²	101	41.7 Å²	41.7	44%	0.439	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132	177.1	-53.9	-177.3	-160.3	163	0	110.5	E238 E239 I240	E238-K263 PolarHBondContact O-N 3.43Å; E239-K263 HydrophobicContact CB-CB 4.45Å; E239-K263 HydrophobicContact CG-CB 4.24Å; E239-K263 HydrophobicContact CG-CD 4.15Å; E239-K263 WeakPolarHBondContact OE2-CD 3.33Å; E239-K263 VanDerWaalsContact OE2-CE 3.32Å; E239-K263 WeakPolarHBondContact OE2-CE 3.32Å; E239-K263 IonicContact OE2-NZ 2.59Å; E239-K263 PolarHBondContact OE2-NZ 2.7Å; I240-K263 PolarHBondContact N-O 3.45Å; I240-K263 VanDerWaalsContact N-O 3.14Å
264	L	92.4	Very high	94.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	116.2	169	174.3	58.5	0	0	0	106.8	I240 F255 L266 F279 F282 L288	I240-L264 HydrophobicContact CB-CD1 4.22Å; I240-L264 HydrophobicContact CG2-CD1 4.29Å; F255-L264 HydrophobicContact CD2-CD2 4.37Å; F255-L264 HydrophobicContact CE1-CD1 3.88Å; F255-L264 HydrophobicContact CE2-CD1 4.17Å; F255-L264 HydrophobicContact CE2-CD2 3.98Å; F255-L264 HydrophobicContact CZ-CD1 3.56Å; F255-L264 HydrophobicContact CZ-CD2 4.22Å; L264-L266 HydrophobicContact CD1-CD1 4.23Å; L264-L266 HydrophobicContact CD1-CD2 4.15Å; L264-L266 HydrophobicContact CD1-CG 4.03Å; L264-L266 HydrophobicContact CD2-CD1 4.1Å; L264-L266 HydrophobicContact CG-CD1 4.01Å; L264-L266 HydrophobicContact CG-CG 4.1Å; L264-F279 HydrophobicContact CD2-CE1 3.99Å; L264-F282 HydrophobicContact CD2-CE1 4.37Å; L264-F282 HydrophobicContact CD2-CZ 4.14Å; L264-L288 HydrophobicContact CD2-CD1 4.41Å
265	I	92.6	Very high	94.6	Very high	40 Å²	40	38.5 Å²	38.5	21%	0.205	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.7	-174.1	-41.9	179.5	0	0	0	108.7	I240 L242 Q243 D267	I240-I265 PolarHBondContact O-N 2.78Å; I240-I265 VanDerWaalsContact O-N 3.09Å; L242-I265 PolarHBondContact N-O 2.83Å; Q243-I265 HydrophobicContact CB-CG2 3.94Å; Q243-I265 HydrophobicContact CG-CG2 4.01Å; Q243-I265 PolarHBondContact N-O 3.23Å; I265-D267 VanDerWaalsContact CG2-OD2 3.3Å; I265-D267 WeakPolarHBondContact CG2-OD2 3.19Å
266	L	95.1	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.248	C	C	.	.			trans	-121.8	10.2	-172.5	-66	170.8	0	0	0	112.7	L242 L250 L264 N269 T289 L290 N293	L242-L266 HydrophobicContact CB-CD2 4.25Å; L242-L266 HydrophobicContact CD1-CD2 4.13Å; L250-L266 HydrophobicContact CD1-CD1 3.97Å; L250-L266 HydrophobicContact CD1-CD2 4.18Å; L264-L266 HydrophobicContact CD1-CD1 4.23Å; L264-L266 HydrophobicContact CD1-CD2 4.15Å; L264-L266 HydrophobicContact CD1-CG 4.03Å; L264-L266 HydrophobicContact CD2-CD1 4.1Å; L264-L266 HydrophobicContact CG-CD1 4.01Å; L264-L266 HydrophobicContact CG-CG 4.1Å; L266-N269 PolarHBondContact O-ND2 2.94Å; L266-T289 PolarHBondContact N-O 3.16Å; L266-L290 HydrophobicContact CB-CD2 3.93Å; L266-L290 HydrophobicContact CD1-CD2 3.89Å; L266-N293 PolarHBondContact O-ND2 2.95Å
267	D	96.4	Very high	94.7	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.16	26%	0.255	C	S	.	.			trans	-61.1	158.6	-176.3	-56.1	-52.8	0	0	0	113.4	Q243 G244 I265 N269 T289 L290 R291	Q243-D267 CarbonylContact C-O 3.49Å; Q243-D267 WeakPolarHBondContact CA-O 3.48Å; Q243-D267 HydrophobicContact CB-CB 4Å; Q243-D267 WeakPolarHBondContact CB-O 3.45Å; G244-D267 PolarHBondContact N-O 2.9Å; I265-D267 VanDerWaalsContact CG2-OD2 3.3Å; I265-D267 WeakPolarHBondContact CG2-OD2 3.19Å; D267-N269 PolarHBondContact O-N 3.15Å; D267-N269 PolarHBondContact O-ND2 3Å; D267-T289 VanDerWaalsContact CG-OG1 3.27Å; D267-T289 WeakPolarHBondContact OD1-CB 3.37Å; D267-T289 PolarHBondContact OD1-OG1 2.99Å; D267-T289 WeakPolarHBondContact OD2-CB 3.45Å; D267-T289 PolarHBondContact OD2-OG1 2.83Å; D267-L290 PolarHBondContact OD1-N 3.04Å; D267-R291 CarbonylContact C-O 3.5Å; D267-R291 WeakPolarHBondContact CA-O 3.33Å; D267-R291 HydrophobicContact CB-CB 4.44Å; D267-R291 WeakPolarHBondContact OD1-CA 3.49Å; D267-R291 VanDerWaalsContact OD1-CB 3.29Å; D267-R291 WeakPolarHBondContact OD1-CB 3.3Å; D267-R291 PolarHBondContact OD1-N 3.35Å
268	S	97.8	Very high	94.7	Very high	47 Å²	47	44.6 Å²	44.6	33%	0.329	24%	0.241	S	C	.	.	S	Bend	trans	52.1	55.3	173.6	-64	0	0	0	0	112.6	G244 N245 R291 N292	G244-S268 CarbonylContact C-O 3.5Å; G244-S268 WeakPolarHBondContact CA-O 3.19Å; G244-S268 PolarHBondContact N-O 2.94Å; N245-S268 PolarHBondContact N-O 3.1Å; S268-R291 PolarHBondContact N-O 2.73Å; S268-N292 WeakPolarHBondContact CA-O 3.19Å; S268-N292 PolarHBondContact N-O 2.84Å; S268-N292 PolarHBondContact OG-ND2 3.01Å
269	N	98.3	Very high	94.7	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	23%	0.232	C	C	.	.	S	Bend	trans	-126.7	-170.7	174.2	-89.2	-75.5	0	0	0	109.1	L242 N245 I247 L266 D267 L271 N292 N293	L242-N269 PolarHBondContact O-ND2 2.82Å; N245-N269 WeakPolarHBondContact CA-OD1 3.34Å; N245-N269 WeakPolarHBondContact CB-OD1 3.42Å; N245-N269 PolarHBondContact O-OD1 3Å; I247-N269 HydrophobicContact CB-CB 4.47Å; I247-N269 VanDerWaalsContact CB-OD1 3.3Å; I247-N269 WeakPolarHBondContact CB-OD1 3.12Å; I247-N269 WeakPolarHBondContact CG1-OD1 3.39Å; I247-N269 PolarHBondContact N-OD1 2.82Å; L266-N269 PolarHBondContact O-ND2 2.94Å; D267-N269 PolarHBondContact O-N 3.15Å; D267-N269 PolarHBondContact O-ND2 3Å; N269-L271 HydrophobicContact CB-CG 4.23Å; N269-N292 PolarHBondContact N-O 2.88Å; N269-N293 WeakPolarHBondContact CA-OD1 3.47Å; N269-N293 WeakPolarHBondContact CB-OD1 3.21Å; N269-N293 PolarHBondContact N-OD1 3.08Å; N269-N293 PolarHBondContact O-OD1 2.84Å
270	L	98.2	Very high	94.7	Very high	67 Å²	67	42.7 Å²	42.7	35%	0.351	22%	0.224	S	C	.	.			trans	-111.7	23.5	-177.8	-54.1	178.8	0	0	0	111.8	R246 I247 T272	R246-L270 HydrophobicContact CB-CD1 3.85Å; R246-L270 HydrophobicContact CB-CG 4.46Å; R246-L270 HydrophobicContact CG-CD1 4.38Å; I247-L270 CarbonylContact O-C 3.21Å; I247-L270 VanDerWaalsContact O-C 3.26Å; I247-L270 WeakPolarHBondContact O-CA 3.38Å; I247-L270 PolarHBondContact O-N 3.19Å; L270-T272 PolarHBondContact O-N 2.96Å
271	L	97.8	Very high	94.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.228	C	C	.	.			trans	-62.7	117.8	-174.3	-59.3	176.4	0	0	0	110.5	I247 S248 L250 N269 L274 L290 N293 Q294 L295	I247-L271 HydrophobicContact CB-CD2 4.49Å; I247-L271 HydrophobicContact CG2-CD2 4Å; I247-L271 WeakPolarHBondContact O-CD2 3.42Å; I247-L271 PolarHBondContact O-N 3.05Å; S248-L271 WeakPolarHBondContact O-CA 3.32Å; L250-L271 HydrophobicContact CD1-CD1 4.04Å; L250-L271 HydrophobicContact CD1-CD2 4.35Å; L250-L271 HydrophobicContact CD2-CD2 4.22Å; L250-L271 HydrophobicContact CG-CD1 4.39Å; L250-L271 HydrophobicContact CG-CD2 3.79Å; N269-L271 HydrophobicContact CB-CG 4.23Å; L271-L274 HydrophobicContact CD1-CD2 4.38Å; L271-L290 HydrophobicContact CD1-CD2 4.3Å; L271-N293 HydrophobicContact CB-CB 4.25Å; L271-N293 VanDerWaalsContact CB-OD1 3.31Å; L271-N293 WeakPolarHBondContact CB-OD1 3.19Å; L271-N293 VanDerWaalsContact CG-OD1 3.29Å; L271-N293 WeakPolarHBondContact CG-OD1 3.14Å; L271-N293 PolarHBondContact N-OD1 3.36Å; L271-N293 VanDerWaalsContact N-OD1 3.13Å; L271-Q294 CarbonylContact O-C 3.14Å; L271-Q294 VanDerWaalsContact O-CA 3.29Å; L271-Q294 WeakPolarHBondContact O-CA 3.15Å; L271-Q294 PolarHBondContact O-N 3.36Å; L271-L295 HydrophobicContact CB-CD2 4.06Å; L271-L295 WeakPolarHBondContact O-CD2 3.04Å; L271-L295 PolarHBondContact O-N 3.24Å
272	T	96.4	Very high	94.5	Very high	62 Å²	62	40.9 Å²	40.9	38%	0.38	23%	0.227	S	C	.	.			trans	-93.7	-26.2	-179.8	54.3	0	0	0	0	113.1	S248 L270 Q294 L295 T296	S248-T272 PolarHBondContact O-N 3.02Å; L270-T272 PolarHBondContact O-N 2.96Å; T272-Q294 HydrophobicContact CG2-CB 4.12Å; T272-L295 WeakPolarHBondContact O-CA 3.01Å; T272-T296 PolarHBondContact O-N 3.47Å
273	S	96	Very high	94.6	Very high	62 Å²	62	41.1 Å²	41.1	43%	0.434	23%	0.232	S	C	.	.			trans	-149.3	176.5	174.6	66.9	0	0	0	0	111
274	L	96.8	Very high	94.8	Very high	10 Å²	10	39 Å²	39	5%	0.052	22%	0.223	C	C	.	.			trans	-131.2	151.8	173.3	-66	171.2	0	0	0	109.5	L250 L271 F279 L290 L295 L298 P299 L302	L250-L274 HydrophobicContact CD1-CD2 4.42Å; L271-L274 HydrophobicContact CD1-CD2 4.38Å; L274-F279 HydrophobicContact CD1-CE2 3.92Å; L274-F279 HydrophobicContact CD1-CZ 4.38Å; L274-L290 HydrophobicContact CD1-CD1 3.95Å; L274-L290 HydrophobicContact CD1-CD2 4.44Å; L274-L290 HydrophobicContact CD2-CD2 4.46Å; L274-L295 HydrophobicContact CD1-CD1 4.26Å; L274-L295 HydrophobicContact CD1-CD2 4.44Å; L274-L295 HydrophobicContact CG-CD2 3.94Å; L274-L298 HydrophobicContact CD1-CD2 4.37Å; L274-P299 WeakPolarHBondContact O-CG 3.27Å; L274-L302 HydrophobicContact CB-CD1 4.1Å; L274-L302 HydrophobicContact CD1-CD1 4.13Å; L274-L302 HydrophobicContact CD1-CD2 3.99Å
275	P	95.1	Very high	94.9	Very high	27 Å²	27	39 Å²	39	18%	0.175	22%	0.223	C	C	.	.			trans	-64	160.2	170.5	-22.1	34.6	0	0	0	113.2	P252 Y278	P252-P275 HydrophobicContact CB-CB 4.28Å; P252-P275 HydrophobicContact CB-CG 4.44Å; P252-P275 HydrophobicContact CG-CB 4.09Å; P252-P275 HydrophobicContact CG-CG 4.07Å; P275-Y278 HydrophobicContact CB-CD2 3.83Å; P275-Y278 HydrophobicContact CB-CE2 4.49Å; P275-Y278 HydrophobicContact CB-CG 4.38Å; P275-Y278 HydrophobicContact CG-CD2 3.68Å; P275-Y278 HydrophobicContact CG-CE2 3.92Å; P275-Y278 HydrophobicContact CG-CG 4.28Å; P275-Y278 WeakPolarHBondContact O-CB 3.48Å
276	E	94.3	Very high	94.7	Very high	141 Å²	141	42.9 Å²	42.9	66%	0.659	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	155.1	164.8	-76.1	174.2	-174.4	0	0	111.5	Y278 P299	E276-Y278 PolarHBondContact O-N 3.18Å; E276-P299 HydrophobicContact CG-CB 3.7Å; E276-P299 HydrophobicContact CG-CG 4.42Å
277	E	93.3	Very high	94.2	Very high	118 Å²	118	46.9 Å²	46.9	55%	0.551	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	13.8	-177.5	-64.6	-168.5	-149.6	0	0	115.9	F279 V280 V301	E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 2.8Å; E277-F279 VanDerWaalsContact O-N 3.16Å; E277-V280 HydrophobicContact CB-CB 4.24Å; E277-V280 HydrophobicContact CB-CG2 3.75Å; E277-V280 HydrophobicContact CG-CG2 4.05Å; E277-V280 VanDerWaalsContact O-CB 3.24Å; E277-V280 WeakPolarHBondContact O-CB 3.46Å; E277-V280 WeakPolarHBondContact O-CG2 3.25Å; E277-V280 PolarHBondContact O-N 3.4Å; E277-V301 HydrophobicContact CG-CG1 3.92Å; E277-V301 PolarHBondContact N-O 3.43Å
278	Y	93.4	Very high	93.9	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.016	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-41.4	-163.9	-154.6	-120.7	0	0	0	113.6	L250 S251 P252 F255 K258 P275 E276 F282	L250-Y278 HydrophobicContact CB-CE1 4.29Å; L250-Y278 VanDerWaalsContact CB-OH 3.3Å; L250-Y278 WeakPolarHBondContact CB-OH 3.47Å; L250-Y278 HydrophobicContact CD1-CE1 3.7Å; S251-Y278 VanDerWaalsContact O-CE2 3.25Å; S251-Y278 WeakPolarHBondContact O-CE2 3.18Å; S251-Y278 PolarHBondContact O-OH 3.13Å; P252-Y278 WeakPolarHBondContact O-CE2 3.26Å; F255-Y278 HydrophobicContact CD2-CE1 4.04Å; F255-Y278 AromaticContact CD2-CZ 3.84Å; F255-Y278 AromaticContact CE2-CE1 3.77Å; F255-Y278 HydrophobicContact CE2-CE1 3.77Å; F255-Y278 AromaticContact CE2-CZ 3.78Å; F255-Y278 VanDerWaalsContact CE2-OH 3.29Å; F255-Y278 WeakPolarHBondContact CE2-OH 3.32Å; K258-Y278 PolarHBondContact NZ-O 2.84Å; P275-Y278 HydrophobicContact CB-CD2 3.83Å; P275-Y278 HydrophobicContact CB-CE2 4.49Å; P275-Y278 HydrophobicContact CB-CG 4.38Å; P275-Y278 HydrophobicContact CG-CD2 3.68Å; P275-Y278 HydrophobicContact CG-CE2 3.92Å; P275-Y278 HydrophobicContact CG-CG 4.28Å; P275-Y278 WeakPolarHBondContact O-CB 3.48Å; E276-Y278 PolarHBondContact O-N 3.18Å; Y278-F282 WeakPolarHBondContact O-CE2 3.41Å
279	F	93.1	Very high	93.5	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	12.5	176.9	-54	-59.5	0	0	0	114.2	L264 L274 E277 F282 L288 L290 L302 F303 M306	L264-F279 HydrophobicContact CD2-CE1 3.99Å; L274-F279 HydrophobicContact CD1-CE2 3.92Å; L274-F279 HydrophobicContact CD1-CZ 4.38Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 2.8Å; E277-F279 VanDerWaalsContact O-N 3.16Å; F279-F282 HydrophobicContact CB-CD2 4.37Å; F279-F282 HydrophobicContact CD1-CD2 4.45Å; F279-F282 HydrophobicContact CD1-CE2 4.08Å; F279-L288 HydrophobicContact CD1-CD1 4.37Å; F279-L288 HydrophobicContact CD1-CD2 3.89Å; F279-L288 HydrophobicContact CD2-CD2 3.85Å; F279-L288 HydrophobicContact CE1-CD1 3.9Å; F279-L288 HydrophobicContact CE1-CD2 4.03Å; F279-L288 HydrophobicContact CE2-CD2 3.97Å; F279-L288 HydrophobicContact CG-CD2 3.81Å; F279-L288 HydrophobicContact CZ-CD1 4.16Å; F279-L288 HydrophobicContact CZ-CD2 4.07Å; F279-L290 HydrophobicContact CE2-CD1 3.87Å; F279-L290 HydrophobicContact CZ-CD1 4Å; F279-L290 HydrophobicContact CZ-CD2 4.35Å; F279-L302 HydrophobicContact CD2-CD1 3.8Å; F279-L302 HydrophobicContact CD2-CD2 4.41Å; F279-L302 HydrophobicContact CD2-CG 3.9Å; F279-L302 HydrophobicContact CE2-CD1 4Å; F279-L302 HydrophobicContact CE2-CD2 4.41Å; F279-L302 HydrophobicContact CE2-CG 4.3Å; F279-L302 PolarHBondContact N-O 3.26Å; F279-L302 VanDerWaalsContact N-O 3.09Å; F279-F303 HydrophobicContact CB-CD1 3.85Å; F279-F303 HydrophobicContact CB-CE1 4.23Å; F279-F303 AromaticContact CD2-CD1 3.93Å; F279-F303 HydrophobicContact CD2-CD1 3.93Å; F279-F303 AromaticContact CD2-CE1 3.5Å; F279-F303 HydrophobicContact CD2-CE1 3.5Å; F279-F303 HydrophobicContact CD2-CZ 4.22Å; F279-F303 HydrophobicContact CE2-CE1 4.25Å; F279-F303 HydrophobicContact CG-CD1 4.3Å; F279-F303 HydrophobicContact CG-CE1 4.18Å; F279-M306 HydrophobicContact CB-SD 4.09Å
280	V	92.3	Very high	93.4	Very high	47 Å²	47	43.8 Å²	43.8	29%	0.285	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	135.7	165.7	-179.6	0	0	0	0	109.3	K258 E277	K258-V280 WeakPolarHBondContact CD-O 3.42Å; K258-V280 PolarHBondContact NZ-O 3.37Å; E277-V280 HydrophobicContact CB-CB 4.24Å; E277-V280 HydrophobicContact CB-CG2 3.75Å; E277-V280 HydrophobicContact CG-CG2 4.05Å; E277-V280 VanDerWaalsContact O-CB 3.24Å; E277-V280 WeakPolarHBondContact O-CB 3.46Å; E277-V280 WeakPolarHBondContact O-CG2 3.25Å; E277-V280 PolarHBondContact O-N 3.4Å
281	G	89.8	Confident	93.3	Very high	41 Å²	41	45.8 Å²	45.8	42%	0.423	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	21.3	172.9	0	0	0	0	0	116.6	K258 P283	K258-G281 WeakPolarHBondContact CB-O 3.5Å; G281-P283 VanDerWaalsContact C-CD 3.46Å; G281-P283 WeakPolarHBondContact O-CD 3.31Å
282	F	93.4	Very high	93.3	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.259	C	S	.	.			trans	-102.9	79.9	177	-78.1	-85.8	0	0	0	113.2	F255 K258 L261 L264 Y278 F279 K284 V285 M306	F255-F282 HydrophobicContact CB-CZ 4.08Å; F255-F282 HydrophobicContact CD2-CZ 4.29Å; F255-F282 HydrophobicContact CG-CZ 4.31Å; K258-F282 HydrophobicContact CB-CD1 4.07Å; K258-F282 HydrophobicContact CB-CD2 4.43Å; K258-F282 HydrophobicContact CB-CE1 4.11Å; K258-F282 HydrophobicContact CB-CE2 4.45Å; K258-F282 HydrophobicContact CB-CG 4.27Å; K258-F282 HydrophobicContact CB-CZ 4.31Å; K258-F282 HydrophobicContact CD-CD2 3.87Å; K258-F282 HydrophobicContact CD-CE2 3.58Å; K258-F282 HydrophobicContact CD-CZ 4.01Å; K258-F282 HydrophobicContact CG-CD2 4.4Å; K258-F282 HydrophobicContact CG-CE1 4.2Å; K258-F282 HydrophobicContact CG-CE2 4.02Å; K258-F282 HydrophobicContact CG-CZ 3.92Å; L261-F282 HydrophobicContact CB-CD1 4.18Å; L261-F282 HydrophobicContact CB-CE1 4.05Å; L261-F282 HydrophobicContact CD1-CE1 3.7Å; L261-F282 HydrophobicContact CD1-CZ 4.5Å; L264-F282 HydrophobicContact CD2-CE1 4.37Å; L264-F282 HydrophobicContact CD2-CZ 4.14Å; Y278-F282 WeakPolarHBondContact O-CE2 3.41Å; F279-F282 HydrophobicContact CB-CD2 4.37Å; F279-F282 HydrophobicContact CD1-CD2 4.45Å; F279-F282 HydrophobicContact CD1-CE2 4.08Å; F282-K284 VanDerWaalsContact C-N 3.29Å; F282-K284 PolarHBondContact O-N 3.27Å; F282-V285 HydrophobicContact CB-CB 4.36Å; F282-V285 HydrophobicContact CB-CG2 3.92Å; F282-V285 HydrophobicContact CD1-CG2 3.53Å; F282-V285 HydrophobicContact CE1-CG2 4.35Å; F282-V285 HydrophobicContact CG-CG2 4.06Å; F282-M306 HydrophobicContact CB-CE 4.08Å
283	P	94.1	Very high	93.3	Very high	54 Å²	54	46.4 Å²	46.4	35%	0.351	24%	0.243	S	C	.	.	S	Bend	trans	-75.6	-9.5	-173.4	32.4	-39.6	0	0	0	115	G281 K308	G281-P283 VanDerWaalsContact C-CD 3.46Å; G281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-K308 VanDerWaalsContact O-CE 3.25Å; P283-K308 WeakPolarHBondContact O-CE 3.29Å
284	K	95	Very high	93.4	Very high	57 Å²	57	47.4 Å²	47.4	25%	0.248	24%	0.241	C	C	.	.	S	Bend	trans	-114.8	-19	-172.7	-80.5	-172.4	-173.8	-175.2	0	114.9	E238 G259 K260 L261 I262 F282 K286	E238-K284 IonicContact OE1-NZ 2.7Å; E238-K284 PolarHBondContact OE1-NZ 2.66Å; G259-K284 WeakPolarHBondContact O-CD 3.36Å; G259-K284 WeakPolarHBondContact O-CE 3.45Å; K260-K284 VanDerWaalsContact O-CD 3.26Å; K260-K284 WeakPolarHBondContact O-CD 3.26Å; L261-K284 CarbonylContact O-C 3.54Å; L261-K284 WeakPolarHBondContact O-CB 3.32Å; I262-K284 HydrophobicContact CG1-CB 4.27Å; I262-K284 HydrophobicContact CG1-CD 4.17Å; F282-K284 VanDerWaalsContact C-N 3.29Å; F282-K284 PolarHBondContact O-N 3.27Å; K284-K286 PolarHBondContact O-N 3.18Å
285	V	93.6	Very high	93.5	Very high	2 Å²	2	47 Å²	47	1%	0.012	24%	0.239	C	C	.	.			trans	-62.8	132.2	-177.3	175.8	0	0	0	0	110.8	L261 I262 F282 L287 L288 M306 K308 L309	L261-V285 WeakPolarHBondContact O-CG2 3.14Å; L261-V285 PolarHBondContact O-N 3.25Å; I262-V285 WeakPolarHBondContact O-CA 3.12Å; F282-V285 HydrophobicContact CB-CB 4.36Å; F282-V285 HydrophobicContact CB-CG2 3.92Å; F282-V285 HydrophobicContact CD1-CG2 3.53Å; F282-V285 HydrophobicContact CE1-CG2 4.35Å; F282-V285 HydrophobicContact CG-CG2 4.06Å; V285-L287 VanDerWaalsContact CG1-O 3.32Å; V285-L287 WeakPolarHBondContact CG1-O 3.4Å; V285-L288 HydrophobicContact CG1-CB 4.37Å; V285-M306 HydrophobicContact CB-CE 4.13Å; V285-M306 HydrophobicContact CG1-CE 4.13Å; V285-K308 CarbonylContact O-C 3.46Å; V285-K308 WeakPolarHBondContact O-CB 3.14Å; V285-L309 HydrophobicContact CG1-CD1 4.31Å; V285-L309 PolarHBondContact O-N 2.86Å; V285-L309 VanDerWaalsContact O-N 3.17Å
286	K	89.1	Confident	93.6	Very high	122 Å²	122	49.4 Å²	49.4	53%	0.53	25%	0.254	S	S	.	.			trans	-106.1	-31.7	-179.4	-65.6	-178.5	-179	177	0	114.3	I262 K284 K308 T310	I262-K286 PolarHBondContact O-N 3.07Å; K284-K286 PolarHBondContact O-N 3.18Å; K286-K308 WeakPolarHBondContact CA-O 3.39Å; K286-K308 HydrophobicContact CG-CB 4.32Å; K286-T310 PolarHBondContact O-N 3.42Å; K286-T310 PolarHBondContact O-OG1 3.41Å
287	L	84.3	Confident	93.7	Very high	84 Å²	84	45.7 Å²	45.7	44%	0.44	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.6	-175.9	172.8	66.4	0	0	0	106.2	V285 T289 E311	V285-L287 VanDerWaalsContact CG1-O 3.32Å; V285-L287 WeakPolarHBondContact CG1-O 3.4Å; L287-T289 HydrophobicContact CD1-CG2 3.61Å; L287-T289 HydrophobicContact CD2-CG2 4.4Å; L287-T289 HydrophobicContact CG-CG2 3.88Å; L287-E311 HydrophobicContact CD1-CB 3.82Å
288	L	90.9	Very high	93.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.2	172.9	176.4	60.5	0	0	0	108.1	L264 F279 V285 F303 M306 L309 E311 L312 S313	L264-L288 HydrophobicContact CD2-CD1 4.41Å; F279-L288 HydrophobicContact CD1-CD1 4.37Å; F279-L288 HydrophobicContact CD1-CD2 3.89Å; F279-L288 HydrophobicContact CD2-CD2 3.85Å; F279-L288 HydrophobicContact CE1-CD1 3.9Å; F279-L288 HydrophobicContact CE1-CD2 4.03Å; F279-L288 HydrophobicContact CE2-CD2 3.97Å; F279-L288 HydrophobicContact CG-CD2 3.81Å; F279-L288 HydrophobicContact CZ-CD1 4.16Å; F279-L288 HydrophobicContact CZ-CD2 4.07Å; V285-L288 HydrophobicContact CG1-CB 4.37Å; L288-F303 HydrophobicContact CD2-CE1 3.9Å; L288-M306 HydrophobicContact CD2-CE 4.22Å; L288-L309 HydrophobicContact CB-CD1 3.73Å; L288-E311 PolarHBondContact N-O 2.98Å; L288-L312 HydrophobicContact CB-CD1 4.26Å; L288-L312 HydrophobicContact CD2-CD1 4.17Å; L288-L312 HydrophobicContact CG-CD1 4.2Å; L288-S313 PolarHBondContact O-N 3.33Å; L288-S313 VanDerWaalsContact O-N 3.17Å
289	T	89.3	Confident	94	Very high	18 Å²	18	41.4 Å²	41.4	11%	0.11	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.8	-175.9	56.7	0	0	0	0	109.9	L266 D267 L287	L266-T289 PolarHBondContact N-O 3.16Å; D267-T289 VanDerWaalsContact CG-OG1 3.27Å; D267-T289 WeakPolarHBondContact OD1-CB 3.37Å; D267-T289 PolarHBondContact OD1-OG1 2.99Å; D267-T289 WeakPolarHBondContact OD2-CB 3.45Å; D267-T289 PolarHBondContact OD2-OG1 2.83Å; L287-T289 HydrophobicContact CD1-CG2 3.61Å; L287-T289 HydrophobicContact CD2-CG2 4.4Å; L287-T289 HydrophobicContact CG-CG2 3.88Å
290	L	94.6	Very high	94	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.			trans	-123.1	24.7	178.9	-72.8	159.2	0	0	0	109.6	L266 D267 L271 L274 F279 N293 L295 S313 L314 N317	L266-L290 HydrophobicContact CB-CD2 3.93Å; L266-L290 HydrophobicContact CD1-CD2 3.89Å; D267-L290 PolarHBondContact OD1-N 3.04Å; L271-L290 HydrophobicContact CD1-CD2 4.3Å; L274-L290 HydrophobicContact CD1-CD1 3.95Å; L274-L290 HydrophobicContact CD1-CD2 4.44Å; L274-L290 HydrophobicContact CD2-CD2 4.46Å; F279-L290 HydrophobicContact CE2-CD1 3.87Å; F279-L290 HydrophobicContact CZ-CD1 4Å; F279-L290 HydrophobicContact CZ-CD2 4.35Å; L290-N293 PolarHBondContact O-ND2 3.21Å; L290-N293 VanDerWaalsContact O-ND2 3.11Å; L290-L295 HydrophobicContact CB-CD1 4.35Å; L290-S313 PolarHBondContact N-O 3.09Å; L290-L314 HydrophobicContact CB-CD2 4.16Å; L290-L314 HydrophobicContact CD1-CD2 3.85Å; L290-N317 PolarHBondContact O-ND2 2.98Å
291	R	96	Very high	94.1	Very high	109 Å²	109	46.5 Å²	46.5	41%	0.411	26%	0.26	S	S	.	.			trans	-65.9	147.8	-172	171.8	-176.3	175.5	175.9	2.4	110.9	D267 S268 N293 Q315	D267-R291 CarbonylContact C-O 3.5Å; D267-R291 WeakPolarHBondContact CA-O 3.33Å; D267-R291 HydrophobicContact CB-CB 4.44Å; D267-R291 WeakPolarHBondContact OD1-CA 3.49Å; D267-R291 VanDerWaalsContact OD1-CB 3.29Å; D267-R291 WeakPolarHBondContact OD1-CB 3.3Å; D267-R291 PolarHBondContact OD1-N 3.35Å; S268-R291 PolarHBondContact N-O 2.73Å; R291-N293 PolarHBondContact O-ND2 3.35Å; R291-Q315 CarbonylContact C-O 3.56Å; R291-Q315 WeakPolarHBondContact CA-O 3.4Å; R291-Q315 HydrophobicContact CB-CB 4.44Å; R291-Q315 HydrophobicContact CG-CB 4.02Å; R291-Q315 HydrophobicContact CG-CG 4.1Å; R291-Q315 WeakPolarHBondContact CG-O 3.46Å; R291-Q315 VanDerWaalsContact NH1-OE1 3.16Å
292	N	97.6	Very high	94.3	Very high	65 Å²	65	44.6 Å²	44.6	35%	0.348	24%	0.24	S	C	.	.	S	Bend	trans	59.3	50.1	173.7	-164.7	56.4	0	0	0	111.2	S268 N269 Q315 Q316	S268-N292 WeakPolarHBondContact CA-O 3.19Å; S268-N292 PolarHBondContact N-O 2.84Å; S268-N292 PolarHBondContact OG-ND2 3.01Å; N269-N292 PolarHBondContact N-O 2.88Å; N292-Q315 PolarHBondContact N-O 2.75Å; N292-Q316 CarbonylContact C-O 3.37Å; N292-Q316 WeakPolarHBondContact CA-O 3.2Å; N292-Q316 HydrophobicContact CB-CB 4.15Å; N292-Q316 PolarHBondContact N-O 3.2Å; N292-Q316 PolarHBondContact OD1-NE2 2.85Å
293	N	98.3	Very high	94.4	Very high	10 Å²	10	45 Å²	45	5%	0.053	24%	0.242	C	C	.	.	S	Bend	trans	-117.1	-169.7	172	-86.5	-77.5	0	0	0	108.9	L266 N269 L271 L290 R291 L295 Q316 N317	L266-N293 PolarHBondContact O-ND2 2.95Å; N269-N293 WeakPolarHBondContact CA-OD1 3.47Å; N269-N293 WeakPolarHBondContact CB-OD1 3.21Å; N269-N293 PolarHBondContact N-OD1 3.08Å; N269-N293 PolarHBondContact O-OD1 2.84Å; L271-N293 HydrophobicContact CB-CB 4.25Å; L271-N293 VanDerWaalsContact CB-OD1 3.31Å; L271-N293 WeakPolarHBondContact CB-OD1 3.19Å; L271-N293 VanDerWaalsContact CG-OD1 3.29Å; L271-N293 WeakPolarHBondContact CG-OD1 3.14Å; L271-N293 PolarHBondContact N-OD1 3.36Å; L271-N293 VanDerWaalsContact N-OD1 3.13Å; L290-N293 PolarHBondContact O-ND2 3.21Å; L290-N293 VanDerWaalsContact O-ND2 3.11Å; R291-N293 PolarHBondContact O-ND2 3.35Å; N293-L295 HydrophobicContact CB-CG 4.31Å; N293-Q316 PolarHBondContact N-O 3.13Å; N293-N317 WeakPolarHBondContact CA-OD1 3.26Å; N293-N317 WeakPolarHBondContact CB-OD1 3.41Å; N293-N317 PolarHBondContact O-OD1 3.15Å
294	Q	97.9	Very high	94.3	Very high	84 Å²	84	43 Å²	43	39%	0.393	23%	0.23	S	C	.	.			trans	-113.9	18.2	-177.7	-60	-168.1	2.6	0	0	113	L271 T272 T296 N317 N318	L271-Q294 CarbonylContact O-C 3.14Å; L271-Q294 VanDerWaalsContact O-CA 3.29Å; L271-Q294 WeakPolarHBondContact O-CA 3.15Å; L271-Q294 PolarHBondContact O-N 3.36Å; T272-Q294 HydrophobicContact CG2-CB 4.12Å; Q294-T296 PolarHBondContact O-N 2.69Å; Q294-T296 VanDerWaalsContact O-N 3.16Å; Q294-N317 PolarHBondContact N-OD1 3.4Å; Q294-N318 PolarHBondContact O-ND2 2.98Å
295	L	98.1	Very high	94.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.			trans	-58.2	118	-171.5	-61.2	172.8	0	0	0	110.6	L271 T272 L274 L290 N293 L298 L314 N317 N318 L319	L271-L295 HydrophobicContact CB-CD2 4.06Å; L271-L295 WeakPolarHBondContact O-CD2 3.04Å; L271-L295 PolarHBondContact O-N 3.24Å; T272-L295 WeakPolarHBondContact O-CA 3.01Å; L274-L295 HydrophobicContact CD1-CD1 4.26Å; L274-L295 HydrophobicContact CD1-CD2 4.44Å; L274-L295 HydrophobicContact CG-CD2 3.94Å; L290-L295 HydrophobicContact CB-CD1 4.35Å; N293-L295 HydrophobicContact CB-CG 4.31Å; L295-L298 HydrophobicContact CD1-CD2 4.2Å; L295-L314 HydrophobicContact CD1-CD2 4.29Å; L295-N317 HydrophobicContact CB-CB 4.2Å; L295-N317 VanDerWaalsContact CB-OD1 3.3Å; L295-N317 WeakPolarHBondContact CB-OD1 3.31Å; L295-N317 VanDerWaalsContact CG-OD1 3.31Å; L295-N317 WeakPolarHBondContact CG-OD1 3.39Å; L295-N317 PolarHBondContact N-OD1 3.15Å; L295-N318 CarbonylContact O-C 3.14Å; L295-N318 VanDerWaalsContact O-CA 3.27Å; L295-N318 WeakPolarHBondContact O-CA 3.35Å; L295-N318 PolarHBondContact O-N 3.45Å; L295-L319 HydrophobicContact CB-CD2 4.12Å; L295-L319 WeakPolarHBondContact O-CD2 3.38Å; L295-L319 PolarHBondContact O-N 2.78Å; L295-L319 VanDerWaalsContact O-N 3.17Å
296	T	96.9	Very high	94.2	Very high	79 Å²	79	48 Å²	48	49%	0.485	26%	0.255	S	S	.	.			trans	-92.9	-26.7	179.1	53.3	0	0	0	0	112.7	T272 Q294 N318	T272-T296 PolarHBondContact O-N 3.47Å; Q294-T296 PolarHBondContact O-N 2.69Å; Q294-T296 VanDerWaalsContact O-N 3.16Å; T296-N318 HydrophobicContact CG2-CB 3.98Å
297	S	96.4	Very high	94.4	Very high	62 Å²	62	45.2 Å²	45.2	43%	0.434	25%	0.25	S	C	.	.			trans	-148.5	170.1	173.6	65.7	0	0	0	0	110.9
298	L	97.3	Very high	95	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.052	25%	0.25	C	C	.	.			trans	-118.9	144.9	168.6	-58.4	-178.9	0	0	0	109.1	L274 L295 L302 L314 L319 L322 P323 I326	L274-L298 HydrophobicContact CD1-CD2 4.37Å; L295-L298 HydrophobicContact CD1-CD2 4.2Å; L298-L302 HydrophobicContact CB-CD2 4.12Å; L298-L302 HydrophobicContact CD1-CD2 4.23Å; L298-L302 HydrophobicContact CD2-CD2 3.96Å; L298-L302 HydrophobicContact CG-CD2 4.33Å; L298-L314 HydrophobicContact CD1-CD1 3.87Å; L298-L314 HydrophobicContact CD1-CD2 4.38Å; L298-L314 HydrophobicContact CD2-CD2 4.26Å; L298-L319 HydrophobicContact CD2-CD2 4.28Å; L298-L319 HydrophobicContact CG-CD2 4.11Å; L298-L322 HydrophobicContact CD1-CD2 3.79Å; L298-L322 HydrophobicContact CG-CD2 4.4Å; L298-P323 VanDerWaalsContact O-CG 3.27Å; L298-P323 WeakPolarHBondContact O-CG 3.37Å; L298-I326 HydrophobicContact CD1-CG1 4.37Å
299	P	96.2	Very high	95.1	Very high	23 Å²	23	46.1 Å²	46.1	15%	0.149	25%	0.25	C	C	.	.			trans	-60.3	150.1	169.1	-20.7	32.4	0	0	0	111.8	L274 E276 V301 I326	L274-P299 WeakPolarHBondContact O-CG 3.27Å; E276-P299 HydrophobicContact CG-CB 3.7Å; E276-P299 HydrophobicContact CG-CG 4.42Å; P299-V301 VanDerWaalsContact C-N 3.35Å; P299-V301 PolarHBondContact O-N 2.59Å; P299-I326 WeakPolarHBondContact O-CD1 3.3Å
300	S	93.2	Very high	95.3	Very high	78 Å²	78	47.7 Å²	47.7	55%	0.545	26%	0.26	S	S	.	.	S	Bend	trans	-61.7	-41.7	178.3	50.7	0	0	0	0	112.4
301	V	93.3	Very high	95.3	Very high	77 Å²	77	51.1 Å²	51.1	47%	0.467	28%	0.275	S	S	.	.	S	Bend	trans	-105.5	81.8	174.6	-171.1	0	0	0	0	108.9	E277 P299	E277-V301 HydrophobicContact CG-CG1 3.92Å; E277-V301 PolarHBondContact N-O 3.43Å; P299-V301 VanDerWaalsContact C-N 3.35Å; P299-V301 PolarHBondContact O-N 2.59Å
302	L	95.6	Very high	95.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.			trans	-104.1	-32.4	176.8	-179.2	59.1	0	0	0	113.2	L274 F279 L298 I326	L274-L302 HydrophobicContact CB-CD1 4.1Å; L274-L302 HydrophobicContact CD1-CD1 4.13Å; L274-L302 HydrophobicContact CD1-CD2 3.99Å; F279-L302 HydrophobicContact CD2-CD1 3.8Å; F279-L302 HydrophobicContact CD2-CD2 4.41Å; F279-L302 HydrophobicContact CD2-CG 3.9Å; F279-L302 HydrophobicContact CE2-CD1 4Å; F279-L302 HydrophobicContact CE2-CD2 4.41Å; F279-L302 HydrophobicContact CE2-CG 4.3Å; F279-L302 PolarHBondContact N-O 3.26Å; F279-L302 VanDerWaalsContact N-O 3.09Å; L298-L302 HydrophobicContact CB-CD2 4.12Å; L298-L302 HydrophobicContact CD1-CD2 4.23Å; L298-L302 HydrophobicContact CD2-CD2 3.96Å; L298-L302 HydrophobicContact CG-CD2 4.33Å; L302-I326 HydrophobicContact CB-CD1 3.93Å
303	F	95.4	Very high	95.2	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.044	25%	0.246	C	C	.	.			trans	-121.2	121.5	-170.3	-61.2	-74.4	0	0	0	112.9	F279 L288 M306 L312 I326 F327 S329 L330	F279-F303 HydrophobicContact CB-CD1 3.85Å; F279-F303 HydrophobicContact CB-CE1 4.23Å; F279-F303 AromaticContact CD2-CD1 3.93Å; F279-F303 HydrophobicContact CD2-CD1 3.93Å; F279-F303 AromaticContact CD2-CE1 3.5Å; F279-F303 HydrophobicContact CD2-CE1 3.5Å; F279-F303 HydrophobicContact CD2-CZ 4.22Å; F279-F303 HydrophobicContact CE2-CE1 4.25Å; F279-F303 HydrophobicContact CG-CD1 4.3Å; F279-F303 HydrophobicContact CG-CE1 4.18Å; L288-F303 HydrophobicContact CD2-CE1 3.9Å; F303-M306 HydrophobicContact CD1-SD 3.92Å; F303-L312 HydrophobicContact CE1-CD1 4.4Å; F303-L312 HydrophobicContact CE1-CD2 4.5Å; F303-L312 HydrophobicContact CE2-CD2 4.48Å; F303-L312 HydrophobicContact CZ-CD1 4.28Å; F303-L312 HydrophobicContact CZ-CD2 4.03Å; F303-I326 HydrophobicContact CD2-CD1 4.14Å; F303-I326 HydrophobicContact CD2-CG1 4.24Å; F303-I326 WeakPolarHBondContact CD2-O 3.48Å; F303-I326 HydrophobicContact CE2-CD1 4.41Å; F303-I326 HydrophobicContact CE2-CG1 4.24Å; F303-F327 HydrophobicContact CD2-CD1 4.43Å; F303-F327 HydrophobicContact CE2-CD1 4.23Å; F303-F327 HydrophobicContact CE2-CE1 4.06Å; F303-S329 WeakPolarHBondContact O-CB 3.31Å; F303-S329 PolarHBondContact O-OG 3.14Å; F303-L330 HydrophobicContact CB-CD1 4.43Å; F303-L330 HydrophobicContact CB-CD2 3.97Å; F303-L330 HydrophobicContact CB-CG 4.23Å; F303-L330 HydrophobicContact CD1-CD1 4.23Å; F303-L330 HydrophobicContact CD1-CD2 4.31Å; F303-L330 HydrophobicContact CD2-CD1 4.22Å; F303-L330 HydrophobicContact CG-CD1 4.05Å; F303-L330 HydrophobicContact CG-CD2 4.27Å; F303-L330 HydrophobicContact CG-CG 4.38Å
304	G	92.2	Very high	95.1	Very high	11 Å²	11	43.3 Å²	43.3	11%	0.113	24%	0.243	C	C	.	.			trans	-86.7	-166.2	165.1	0	0	0	0	0	112.2	M306 S329	G304-M306 PolarHBondContact O-N 2.97Å; G304-S329 WeakPolarHBondContact O-CB 3.44Å
305	E	92.1	Very high	95.1	Very high	158 Å²	158	40.2 Å²	40.2	74%	0.738	23%	0.229	S	C	*	.			trans	-62.3	118.9	171.4	-68	-161.9	167	0	0	111.3	P307	E305-P307 VanDerWaalsContact C-CD 3.46Å; E305-P307 VanDerWaalsContact O-CD 3.29Å; E305-P307 WeakPolarHBondContact O-CD 3.46Å
306	M	94.6	Very high	95.1	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.03	24%	0.24	C	C	.	.			trans	-117.8	73.2	175.1	-62.5	-175.1	73.7	0	0	110.1	F279 F282 V285 L288 F303 G304 K308 L309 L330	F279-M306 HydrophobicContact CB-SD 4.09Å; F282-M306 HydrophobicContact CB-CE 4.08Å; V285-M306 HydrophobicContact CB-CE 4.13Å; V285-M306 HydrophobicContact CG1-CE 4.13Å; L288-M306 HydrophobicContact CD2-CE 4.22Å; F303-M306 HydrophobicContact CD1-SD 3.92Å; G304-M306 PolarHBondContact O-N 2.97Å; M306-K308 PolarHBondContact O-N 3.37Å; M306-L309 HydrophobicContact CB-CB 3.77Å; M306-L309 HydrophobicContact CB-CD2 4.37Å; M306-L309 HydrophobicContact CE-CB 4.4Å; M306-L309 HydrophobicContact CE-CD1 4.3Å; M306-L309 HydrophobicContact CE-CD2 4.09Å; M306-L309 PolarHBondContact O-N 3.2Å; M306-L309 HydrophobicContact SD-CD2 3.91Å; M306-L330 HydrophobicContact CB-CD2 3.98Å; M306-L330 HydrophobicContact CG-CD2 4.05Å; M306-L330 HydrophobicContact SD-CD2 4Å
307	P	93.3	Very high	95.2	Very high	65 Å²	65	39.2 Å²	39.2	42%	0.422	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-2.1	-165.2	26.8	-37.5	0	0	0	115.9	E305	E305-P307 VanDerWaalsContact C-CD 3.46Å; E305-P307 VanDerWaalsContact O-CD 3.29Å; E305-P307 WeakPolarHBondContact O-CD 3.46Å
308	K	94.9	Very high	95.3	Very high	102 Å²	102	39.2 Å²	39.2	44%	0.443	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-5.2	174.3	-59.4	-170.7	-158.4	172.3	0	114.1	P283 V285 K286 M306 T310	P283-K308 VanDerWaalsContact O-CE 3.25Å; P283-K308 WeakPolarHBondContact O-CE 3.29Å; V285-K308 CarbonylContact O-C 3.46Å; V285-K308 WeakPolarHBondContact O-CB 3.14Å; K286-K308 WeakPolarHBondContact CA-O 3.39Å; K286-K308 HydrophobicContact CG-CB 4.32Å; M306-K308 PolarHBondContact O-N 3.37Å; K308-T310 PolarHBondContact O-N 2.87Å
309	L	94.6	Very high	95.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.211	C	C	.	.			trans	-69	119.7	179.3	-174.5	72.6	0	0	0	109.3	V285 L288 M306 E311 L312 L330 K332 V333	V285-L309 HydrophobicContact CG1-CD1 4.31Å; V285-L309 PolarHBondContact O-N 2.86Å; V285-L309 VanDerWaalsContact O-N 3.17Å; L288-L309 HydrophobicContact CB-CD1 3.73Å; M306-L309 HydrophobicContact CB-CB 3.77Å; M306-L309 HydrophobicContact CB-CD2 4.37Å; M306-L309 HydrophobicContact CE-CB 4.4Å; M306-L309 HydrophobicContact CE-CD1 4.3Å; M306-L309 HydrophobicContact CE-CD2 4.09Å; M306-L309 PolarHBondContact O-N 3.2Å; M306-L309 HydrophobicContact SD-CD2 3.91Å; L309-E311 WeakPolarHBondContact CD1-O 3.32Å; L309-L312 HydrophobicContact CD2-CB 4.45Å; L309-L330 HydrophobicContact CD2-CD1 4.27Å; L309-L330 HydrophobicContact CD2-CD2 4.07Å; L309-K332 CarbonylContact O-C 3.29Å; L309-K332 VanDerWaalsContact O-C 3.29Å; L309-V333 HydrophobicContact CB-CG2 4.44Å; L309-V333 HydrophobicContact CD2-CG2 3.79Å; L309-V333 HydrophobicContact CG-CG2 3.96Å; L309-V333 PolarHBondContact O-N 3Å
310	T	93.9	Very high	95.4	Very high	52 Å²	52	40.4 Å²	40.4	32%	0.319	22%	0.223	S	C	.	.			trans	-113.7	-22.2	178.7	49.2	0	0	0	0	113.3	K286 K308 K334 K335	K286-T310 PolarHBondContact O-N 3.42Å; K286-T310 PolarHBondContact O-OG1 3.41Å; K308-T310 PolarHBondContact O-N 2.87Å; T310-K334 PolarHBondContact O-N 2.92Å; T310-K335 PolarHBondContact O-N 3Å; T310-K335 VanDerWaalsContact O-N 3.13Å
311	E	94	Very high	95.5	Very high	71 Å²	71	40.4 Å²	40.4	33%	0.332	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.2	-176.4	-55.1	-170.4	164.3	0	0	109.1	L287 L288 L309 K335	L287-E311 HydrophobicContact CD1-CB 3.82Å; L288-E311 PolarHBondContact N-O 2.98Å; L309-E311 WeakPolarHBondContact CD1-O 3.32Å; E311-K335 HydrophobicContact CB-CB 4.37Å; E311-K335 HydrophobicContact CG-CB 4.12Å; E311-K335 HydrophobicContact CG-CD 4.09Å; E311-K335 HydrophobicContact CG-CG 4.09Å; E311-K335 WeakPolarHBondContact OE1-CD 3.45Å; E311-K335 WeakPolarHBondContact OE1-CE 3.36Å; E311-K335 IonicContact OE1-NZ 3.77Å; E311-K335 PolarHBondContact OE1-NZ 2.9Å; E311-K335 IonicContact OE2-NZ 2.66Å
312	L	95.3	Very high	95.7	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.6	177.5	176.3	60.6	0	0	0	109.3	L288 F303 L309 F327 L330 K335 L336 D337	L288-L312 HydrophobicContact CB-CD1 4.26Å; L288-L312 HydrophobicContact CD2-CD1 4.17Å; L288-L312 HydrophobicContact CG-CD1 4.2Å; F303-L312 HydrophobicContact CE1-CD1 4.4Å; F303-L312 HydrophobicContact CE1-CD2 4.5Å; F303-L312 HydrophobicContact CE2-CD2 4.48Å; F303-L312 HydrophobicContact CZ-CD1 4.28Å; F303-L312 HydrophobicContact CZ-CD2 4.03Å; L309-L312 HydrophobicContact CD2-CB 4.45Å; L312-F327 HydrophobicContact CD2-CD1 4.08Å; L312-F327 HydrophobicContact CD2-CE1 3.76Å; L312-L330 HydrophobicContact CD2-CD1 3.83Å; L312-K335 PolarHBondContact N-O 3.04Å; L312-L336 HydrophobicContact CB-CD1 4.34Å; L312-L336 HydrophobicContact CD2-CD1 4.05Å; L312-L336 HydrophobicContact CG-CD1 4.21Å; L312-D337 PolarHBondContact O-N 2.99Å
313	S	96.1	Very high	95.7	Very high	16 Å²	16	38.8 Å²	38.8	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.4	177.1	-168.7	0	0	0	0	112.3	L288 L290 Q315	L288-S313 PolarHBondContact O-N 3.33Å; L288-S313 VanDerWaalsContact O-N 3.17Å; L290-S313 PolarHBondContact N-O 3.09Å; S313-Q315 WeakPolarHBondContact OG-CB 3.39Å
314	L	96.8	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.			trans	-114.6	17.8	170.4	-65.2	159.5	0	0	0	110.3	L290 L295 L298 N317 L319 F327 D337 L338 N341	L290-L314 HydrophobicContact CB-CD2 4.16Å; L290-L314 HydrophobicContact CD1-CD2 3.85Å; L295-L314 HydrophobicContact CD1-CD2 4.29Å; L298-L314 HydrophobicContact CD1-CD1 3.87Å; L298-L314 HydrophobicContact CD1-CD2 4.38Å; L298-L314 HydrophobicContact CD2-CD2 4.26Å; L314-N317 PolarHBondContact O-ND2 2.82Å; L314-L319 HydrophobicContact CB-CD1 4.12Å; L314-L319 HydrophobicContact CD1-CD1 4.33Å; L314-F327 HydrophobicContact CD1-CE1 4.46Å; L314-F327 HydrophobicContact CD1-CZ 4.29Å; L314-D337 PolarHBondContact N-O 3.46Å; L314-L338 HydrophobicContact CB-CD2 4.16Å; L314-L338 HydrophobicContact CD1-CD2 3.77Å; L314-N341 PolarHBondContact O-ND2 3.1Å
315	Q	97.5	Very high	95.7	Very high	19 Å²	19	44.3 Å²	44.3	9%	0.089	24%	0.235	C	C	.	.			trans	-56.4	144.8	-177.4	169.9	173.3	70.9	0	0	112.1	R291 N292 S313 N317 D337 S339	R291-Q315 CarbonylContact C-O 3.56Å; R291-Q315 WeakPolarHBondContact CA-O 3.4Å; R291-Q315 HydrophobicContact CB-CB 4.44Å; R291-Q315 HydrophobicContact CG-CB 4.02Å; R291-Q315 HydrophobicContact CG-CG 4.1Å; R291-Q315 WeakPolarHBondContact CG-O 3.46Å; R291-Q315 VanDerWaalsContact NH1-OE1 3.16Å; N292-Q315 PolarHBondContact N-O 2.75Å; S313-Q315 WeakPolarHBondContact OG-CB 3.39Å; Q315-N317 PolarHBondContact O-ND2 3.25Å; Q315-D337 PolarHBondContact N-O 2.65Å; Q315-S339 CarbonylContact C-O 3.54Å; Q315-S339 WeakPolarHBondContact CA-O 3.28Å; Q315-S339 WeakPolarHBondContact CG-OG 3.21Å; Q315-S339 PolarHBondContact NE2-OG 3.05Å
316	Q	97.9	Very high	95.9	Very high	53 Å²	53	37 Å²	37	25%	0.248	20%	0.201	C	C	.	.	S	Bend	trans	55.8	65.3	-179.8	-66.8	175.9	-105.3	0	0	111.5	N292 N293 S339 K340	N292-Q316 CarbonylContact C-O 3.37Å; N292-Q316 WeakPolarHBondContact CA-O 3.2Å; N292-Q316 HydrophobicContact CB-CB 4.15Å; N292-Q316 PolarHBondContact N-O 3.2Å; N292-Q316 PolarHBondContact OD1-NE2 2.85Å; N293-Q316 PolarHBondContact N-O 3.13Å; Q316-S339 PolarHBondContact N-O 3.43Å; Q316-K340 WeakPolarHBondContact CA-O 3.36Å; Q316-K340 HydrophobicContact CB-CB 4.49Å; Q316-K340 HydrophobicContact CG-CB 3.68Å; Q316-K340 HydrophobicContact CG-CD 3.8Å; Q316-K340 HydrophobicContact CG-CG 4.33Å; Q316-K340 PolarHBondContact N-O 3.43Å
317	N	98.6	Very high	95.9	Very high	5 Å²	5	37 Å²	37	3%	0.027	20%	0.2	C	C	.	.	S	Bend	trans	-133.9	-172.9	170.2	-84.5	-79.3	0	0	0	108.7	L290 N293 Q294 L295 L314 Q315 L319 K340 N341	L290-N317 PolarHBondContact O-ND2 2.98Å; N293-N317 WeakPolarHBondContact CA-OD1 3.26Å; N293-N317 WeakPolarHBondContact CB-OD1 3.41Å; N293-N317 PolarHBondContact O-OD1 3.15Å; Q294-N317 PolarHBondContact N-OD1 3.4Å; L295-N317 HydrophobicContact CB-CB 4.2Å; L295-N317 VanDerWaalsContact CB-OD1 3.3Å; L295-N317 WeakPolarHBondContact CB-OD1 3.31Å; L295-N317 VanDerWaalsContact CG-OD1 3.31Å; L295-N317 WeakPolarHBondContact CG-OD1 3.39Å; L295-N317 PolarHBondContact N-OD1 3.15Å; L314-N317 PolarHBondContact O-ND2 2.82Å; Q315-N317 PolarHBondContact O-ND2 3.25Å; N317-L319 HydrophobicContact CB-CG 4.21Å; N317-K340 PolarHBondContact N-O 3.09Å; N317-N341 WeakPolarHBondContact CA-OD1 3.47Å; N317-N341 WeakPolarHBondContact CB-OD1 3.47Å; N317-N341 PolarHBondContact N-OD1 3.34Å; N317-N341 PolarHBondContact O-OD1 2.85Å
318	N	98.1	Very high	96	Very high	63 Å²	63	36.1 Å²	36.1	34%	0.337	20%	0.196	S	C	.	.			trans	-107	25	179.2	-66.2	-49.7	0	0	0	112.8	Q294 L295 T296 S320 H342	Q294-N318 PolarHBondContact O-ND2 2.98Å; L295-N318 CarbonylContact O-C 3.14Å; L295-N318 VanDerWaalsContact O-CA 3.27Å; L295-N318 WeakPolarHBondContact O-CA 3.35Å; L295-N318 PolarHBondContact O-N 3.45Å; T296-N318 HydrophobicContact CG2-CB 3.98Å; N318-S320 PolarHBondContact O-N 2.75Å; N318-H342 VanDerWaalsContact CA-CD2 3.44Å; N318-H342 WeakPolarHBondContact CA-CD2 3.02Å; N318-H342 PolarHBondContact OD1-NE2 3.33Å
319	L	98.1	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.			trans	-71.6	126.6	-176.1	-58.3	172.6	0	0	0	110.4	L295 L298 L314 N317 L322 N341 H342 F343	L295-L319 HydrophobicContact CB-CD2 4.12Å; L295-L319 WeakPolarHBondContact O-CD2 3.38Å; L295-L319 PolarHBondContact O-N 2.78Å; L295-L319 VanDerWaalsContact O-N 3.17Å; L298-L319 HydrophobicContact CD2-CD2 4.28Å; L298-L319 HydrophobicContact CG-CD2 4.11Å; L314-L319 HydrophobicContact CB-CD1 4.12Å; L314-L319 HydrophobicContact CD1-CD1 4.33Å; N317-L319 HydrophobicContact CB-CG 4.21Å; L319-L322 HydrophobicContact CD1-CD2 4.4Å; L319-N341 HydrophobicContact CB-CB 4.39Å; L319-N341 WeakPolarHBondContact CB-OD1 3.33Å; L319-N341 PolarHBondContact N-OD1 3.2Å; L319-N341 WeakPolarHBondContact O-CB 3.32Å; L319-H342 CarbonylContact O-C 3.45Å; L319-H342 WeakPolarHBondContact O-CA 3.32Å; L319-H342 PolarHBondContact O-N 2.85Å; L319-F343 HydrophobicContact CB-CE1 4.37Å; L319-F343 HydrophobicContact CB-CE2 4.05Å; L319-F343 HydrophobicContact CB-CZ 3.66Å; L319-F343 HydrophobicContact CD1-CZ 4.42Å
320	S	97.1	Very high	96	Very high	57 Å²	57	33.3 Å²	33.3	40%	0.399	19%	0.189	S	C	.	.	S	Bend	trans	-107.5	-19.9	173.1	59.3	0	0	0	0	113.6	N318 H342 F343	N318-S320 PolarHBondContact O-N 2.75Å; S320-H342 WeakPolarHBondContact CA-O 3.49Å; S320-F343 WeakPolarHBondContact O-CD1 3Å
321	T	96.6	Very high	95.9	Very high	79 Å²	79	35.3 Å²	35.3	49%	0.485	19%	0.194	S	C	.	.			trans	-148.4	163.9	-178.4	52.8	0	0	0	0	110
322	L	97.1	Very high	96	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.063	20%	0.201	C	C	.	.			trans	-125.6	153.4	172.6	-69	174	0	0	0	110.5	L298 L319 I326 F327 L338 F343 Y350	L298-L322 HydrophobicContact CD1-CD2 3.79Å; L298-L322 HydrophobicContact CG-CD2 4.4Å; L319-L322 HydrophobicContact CD1-CD2 4.4Å; L322-I326 HydrophobicContact CB-CG2 4.23Å; L322-I326 HydrophobicContact CD1-CG2 4.47Å; L322-F327 HydrophobicContact CD1-CE2 3.91Å; L322-F327 HydrophobicContact CD1-CZ 4.04Å; L322-L338 HydrophobicContact CD1-CD1 4.08Å; L322-L338 HydrophobicContact CD1-CD2 4.43Å; L322-F343 HydrophobicContact CD1-CE1 4.42Å; L322-F343 HydrophobicContact CD1-CZ 4.21Å; L322-F343 HydrophobicContact CD2-CZ 4.16Å; L322-F343 HydrophobicContact CG-CE1 3.89Å; L322-F343 HydrophobicContact CG-CZ 3.86Å; L322-Y350 HydrophobicContact CB-CD1 3.85Å; L322-Y350 HydrophobicContact CB-CD2 4.18Å; L322-Y350 HydrophobicContact CB-CE1 4Å; L322-Y350 HydrophobicContact CB-CE2 4.3Å; L322-Y350 HydrophobicContact CB-CG 3.94Å; L322-Y350 HydrophobicContact CD1-CD2 4.2Å; L322-Y350 HydrophobicContact CD1-CG 4.22Å; L322-Y350 WeakPolarHBondContact O-CE1 3.15Å
323	P	96.3	Very high	96	Very high	30 Å²	30	37.2 Å²	37.2	20%	0.195	20%	0.201	C	C	.	.			trans	-64	145.4	166.3	-18.6	31.7	0	0	0	111.7	L298 G325 I326	L298-P323 VanDerWaalsContact O-CG 3.27Å; L298-P323 WeakPolarHBondContact O-CG 3.37Å; P323-G325 PolarHBondContact O-N 2.65Å; P323-I326 HydrophobicContact CB-CB 4.29Å; P323-I326 HydrophobicContact CG-CB 4.5Å; P323-I326 HydrophobicContact CG-CD1 4.28Å; P323-I326 HydrophobicContact CG-CG1 4.5Å; P323-I326 WeakPolarHBondContact O-CB 3.46Å; P323-I326 WeakPolarHBondContact O-CG2 3.33Å; P323-I326 PolarHBondContact O-N 3.09Å
324	K	94.2	Very high	96	Very high	126 Å²	126	41.7 Å²	41.7	55%	0.548	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.5	169.2	173.5	179.1	-179.8	63.7	0	110	I326 D349 E352	K324-I326 PolarHBondContact O-N 3.02Å; K324-D349 HydrophobicContact CB-CB 4.3Å; K324-D349 WeakPolarHBondContact CD-OD2 3.49Å; K324-D349 HydrophobicContact CG-CB 3.96Å; K324-D349 WeakPolarHBondContact CG-OD2 3.04Å; K324-D349 IonicContact NZ-OD1 3.48Å; K324-D349 PolarHBondContact NZ-OD1 2.86Å; K324-D349 IonicContact NZ-OD2 3.99Å; K324-D349 PolarHBondContact NZ-OD2 2.69Å; K324-E352 IonicContact NZ-OE2 2.73Å; K324-E352 PolarHBondContact NZ-OE2 2.87Å
325	G	92.9	Very high	96	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	15.2	173.7	0	0	0	0	0	115	P323 F327 S328 D349	P323-G325 PolarHBondContact O-N 2.65Å; G325-F327 PolarHBondContact O-N 3.12Å; G325-S328 WeakPolarHBondContact O-CB 3.41Å; G325-S328 PolarHBondContact O-N 3.35Å; G325-S328 PolarHBondContact O-OG 3.33Å; G325-D349 PolarHBondContact N-O 3.02Å
326	I	95.9	Very high	96	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.2	-177.7	-172.9	58.1	0	0	0	113.5	L298 P299 L302 F303 L322 P323 K324	L298-I326 HydrophobicContact CD1-CG1 4.37Å; P299-I326 WeakPolarHBondContact O-CD1 3.3Å; L302-I326 HydrophobicContact CB-CD1 3.93Å; F303-I326 HydrophobicContact CD2-CD1 4.14Å; F303-I326 HydrophobicContact CD2-CG1 4.24Å; F303-I326 WeakPolarHBondContact CD2-O 3.48Å; F303-I326 HydrophobicContact CE2-CD1 4.41Å; F303-I326 HydrophobicContact CE2-CG1 4.24Å; L322-I326 HydrophobicContact CB-CG2 4.23Å; L322-I326 HydrophobicContact CD1-CG2 4.47Å; P323-I326 HydrophobicContact CB-CB 4.29Å; P323-I326 HydrophobicContact CG-CB 4.5Å; P323-I326 HydrophobicContact CG-CD1 4.28Å; P323-I326 HydrophobicContact CG-CG1 4.5Å; P323-I326 WeakPolarHBondContact O-CB 3.46Å; P323-I326 WeakPolarHBondContact O-CG2 3.33Å; P323-I326 PolarHBondContact O-N 3.09Å; K324-I326 PolarHBondContact O-N 3.02Å
327	F	95.5	Very high	96.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.018	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	9.9	177.8	-51.6	-44.9	0	0	0	114.1	F303 L312 L314 L322 G325 S329 L330 L336 L338 Y350 E352 P354	F303-F327 HydrophobicContact CD2-CD1 4.43Å; F303-F327 HydrophobicContact CE2-CD1 4.23Å; F303-F327 HydrophobicContact CE2-CE1 4.06Å; L312-F327 HydrophobicContact CD2-CD1 4.08Å; L312-F327 HydrophobicContact CD2-CE1 3.76Å; L314-F327 HydrophobicContact CD1-CE1 4.46Å; L314-F327 HydrophobicContact CD1-CZ 4.29Å; L322-F327 HydrophobicContact CD1-CE2 3.91Å; L322-F327 HydrophobicContact CD1-CZ 4.04Å; G325-F327 PolarHBondContact O-N 3.12Å; F327-S329 VanDerWaalsContact C-N 3.33Å; F327-S329 PolarHBondContact O-N 3.06Å; F327-L330 HydrophobicContact CB-CB 4.49Å; F327-L330 HydrophobicContact CB-CD1 4.31Å; F327-L330 HydrophobicContact CD1-CD1 3.82Å; F327-L330 HydrophobicContact CG-CD1 4.46Å; F327-L330 WeakPolarHBondContact O-CB 3.44Å; F327-L330 PolarHBondContact O-N 2.79Å; F327-L336 HydrophobicContact CD2-CD2 3.91Å; F327-L336 HydrophobicContact CE1-CD1 4.48Å; F327-L336 HydrophobicContact CE2-CD1 4.17Å; F327-L336 HydrophobicContact CE2-CD2 3.6Å; F327-L336 HydrophobicContact CZ-CD1 4Å; F327-L336 HydrophobicContact CZ-CD2 4.27Å; F327-L338 HydrophobicContact CZ-CD2 4.45Å; F327-Y350 WeakPolarHBondContact CD2-O 3.28Å; F327-E352 CarbonylContact C-O 3.55Å; F327-P354 HydrophobicContact CB-CG 3.98Å
328	S	94.1	Very high	96	Very high	48 Å²	48	43.4 Å²	43.4	34%	0.336	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-43.5	-176.2	54.5	0	0	0	0	113.8	G325 L330 K331 E352	G325-S328 WeakPolarHBondContact O-CB 3.41Å; G325-S328 PolarHBondContact O-N 3.35Å; G325-S328 PolarHBondContact O-OG 3.33Å; S328-L330 VanDerWaalsContact C-N 3.27Å; S328-L330 PolarHBondContact O-N 2.91Å; S328-K331 WeakPolarHBondContact O-CD 3.28Å; S328-K331 WeakPolarHBondContact O-CE 3.44Å; S328-E352 VanDerWaalsContact CA-O 3.25Å; S328-E352 WeakPolarHBondContact CA-O 3.14Å; S328-E352 PolarHBondContact N-O 2.99Å
329	S	94	Very high	96.1	Very high	41 Å²	41	40.4 Å²	40.4	29%	0.287	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.8	175.9	-50.1	0	0	0	0	114.3	F303 G304 F327 K331	F303-S329 WeakPolarHBondContact O-CB 3.31Å; F303-S329 PolarHBondContact O-OG 3.14Å; G304-S329 WeakPolarHBondContact O-CB 3.44Å; F327-S329 VanDerWaalsContact C-N 3.33Å; F327-S329 PolarHBondContact O-N 3.06Å; S329-K331 VanDerWaalsContact C-N 3.27Å; S329-K331 PolarHBondContact O-N 3.19Å; S329-K331 VanDerWaalsContact O-N 3.08Å
330	L	95.1	Very high	96.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	23%	0.234	C	C	.	.			trans	-90.2	41.2	-165.5	-59.3	-172.7	0	0	0	113.8	F303 M306 L309 L312 F327 S328 K332 V333	F303-L330 HydrophobicContact CB-CD1 4.43Å; F303-L330 HydrophobicContact CB-CD2 3.97Å; F303-L330 HydrophobicContact CB-CG 4.23Å; F303-L330 HydrophobicContact CD1-CD1 4.23Å; F303-L330 HydrophobicContact CD1-CD2 4.31Å; F303-L330 HydrophobicContact CD2-CD1 4.22Å; F303-L330 HydrophobicContact CG-CD1 4.05Å; F303-L330 HydrophobicContact CG-CD2 4.27Å; F303-L330 HydrophobicContact CG-CG 4.38Å; M306-L330 HydrophobicContact CB-CD2 3.98Å; M306-L330 HydrophobicContact CG-CD2 4.05Å; M306-L330 HydrophobicContact SD-CD2 4Å; L309-L330 HydrophobicContact CD2-CD1 4.27Å; L309-L330 HydrophobicContact CD2-CD2 4.07Å; L312-L330 HydrophobicContact CD2-CD1 3.83Å; F327-L330 HydrophobicContact CB-CB 4.49Å; F327-L330 HydrophobicContact CB-CD1 4.31Å; F327-L330 HydrophobicContact CD1-CD1 3.82Å; F327-L330 HydrophobicContact CG-CD1 4.46Å; F327-L330 WeakPolarHBondContact O-CB 3.44Å; F327-L330 PolarHBondContact O-N 2.79Å; S328-L330 VanDerWaalsContact C-N 3.27Å; S328-L330 PolarHBondContact O-N 2.91Å; L330-K332 PolarHBondContact O-N 3.39Å; L330-V333 HydrophobicContact CB-CG2 3.85Å; L330-V333 HydrophobicContact CD1-CG2 4.33Å; L330-V333 PolarHBondContact O-N 3.46Å
331	K	93.6	Very high	96.1	Very high	95 Å²	95	43.4 Å²	43.4	41%	0.413	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	4.4	-174.7	-56.2	-57.6	-161.2	174.8	0	117.2	S328 S329 G353 E355	S328-K331 WeakPolarHBondContact O-CD 3.28Å; S328-K331 WeakPolarHBondContact O-CE 3.44Å; S329-K331 VanDerWaalsContact C-N 3.27Å; S329-K331 PolarHBondContact O-N 3.19Å; S329-K331 VanDerWaalsContact O-N 3.08Å; K331-G353 WeakPolarHBondContact CD-O 3.23Å; K331-E355 IonicContact NZ-OE1 2.88Å; K331-E355 PolarHBondContact NZ-OE1 2.91Å
332	K	94.7	Very high	96.2	Very high	111 Å²	111	43.3 Å²	43.3	48%	0.483	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-8.3	-179.3	-54.7	-61	-178	-161.9	0	114.1	L309 L330	L309-K332 CarbonylContact O-C 3.29Å; L309-K332 VanDerWaalsContact O-C 3.29Å; L330-K332 PolarHBondContact O-N 3.39Å
333	V	95.8	Very high	96.3	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	21%	0.207	C	C	.	.			trans	-64.9	136.9	179.7	172	0	0	0	0	110.3	L309 L330 K335 K356 L357	L309-V333 HydrophobicContact CB-CG2 4.44Å; L309-V333 HydrophobicContact CD2-CG2 3.79Å; L309-V333 HydrophobicContact CG-CG2 3.96Å; L309-V333 PolarHBondContact O-N 3Å; L330-V333 HydrophobicContact CB-CG2 3.85Å; L330-V333 HydrophobicContact CD1-CG2 4.33Å; L330-V333 PolarHBondContact O-N 3.46Å; V333-K335 VanDerWaalsContact CG1-O 3.28Å; V333-K335 WeakPolarHBondContact CG1-O 3.35Å; V333-K356 CarbonylContact O-C 3.44Å; V333-L357 HydrophobicContact CG1-CD1 4.08Å
334	K	96.7	Very high	96.3	Very high	109 Å²	109	44.2 Å²	44.2	47%	0.474	22%	0.215	S	C	.	.			trans	-119.4	-23.9	-178.4	-65.7	-172.7	178.5	-175.5	0	113	T310 T358 E359	T310-K334 PolarHBondContact O-N 2.92Å; K334-T358 WeakPolarHBondContact O-CA 3.27Å; K334-T358 PolarHBondContact O-N 2.99Å; K334-T358 PolarHBondContact O-OG1 2.82Å; K334-E359 PolarHBondContact O-N 2.91Å
335	K	97.2	Very high	96.3	Very high	79 Å²	79	42.4 Å²	42.4	34%	0.343	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132	172.9	-53.1	-168.1	-177.8	146.7	0	110.5	T310 E311 L312 V333 E359	T310-K335 PolarHBondContact O-N 3Å; T310-K335 VanDerWaalsContact O-N 3.13Å; E311-K335 HydrophobicContact CB-CB 4.37Å; E311-K335 HydrophobicContact CG-CB 4.12Å; E311-K335 HydrophobicContact CG-CD 4.09Å; E311-K335 HydrophobicContact CG-CG 4.09Å; E311-K335 WeakPolarHBondContact OE1-CD 3.45Å; E311-K335 WeakPolarHBondContact OE1-CE 3.36Å; E311-K335 IonicContact OE1-NZ 3.77Å; E311-K335 PolarHBondContact OE1-NZ 2.9Å; E311-K335 IonicContact OE2-NZ 2.66Å; L312-K335 PolarHBondContact N-O 3.04Å; V333-K335 VanDerWaalsContact CG1-O 3.28Å; V333-K335 WeakPolarHBondContact CG1-O 3.35Å; K335-E359 WeakPolarHBondContact CA-O 3.48Å; K335-E359 VanDerWaalsContact CD-OE2 3.28Å; K335-E359 WeakPolarHBondContact CD-OE2 3.31Å; K335-E359 WeakPolarHBondContact CE-OE2 3.16Å; K335-E359 HydrophobicContact CG-CB 4.1Å
336	L	97.6	Very high	96.4	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.3	174.3	176.3	59.9	0	0	0	108.6	L312 F327 L338 F351 L357 E359 N361	L312-L336 HydrophobicContact CB-CD1 4.34Å; L312-L336 HydrophobicContact CD2-CD1 4.05Å; L312-L336 HydrophobicContact CG-CD1 4.21Å; F327-L336 HydrophobicContact CD2-CD2 3.91Å; F327-L336 HydrophobicContact CE1-CD1 4.48Å; F327-L336 HydrophobicContact CE2-CD1 4.17Å; F327-L336 HydrophobicContact CE2-CD2 3.6Å; F327-L336 HydrophobicContact CZ-CD1 4Å; F327-L336 HydrophobicContact CZ-CD2 4.27Å; L336-L338 HydrophobicContact CD1-CD2 4.16Å; L336-L338 HydrophobicContact CD1-CG 4.28Å; L336-L338 HydrophobicContact CD2-CD1 4.27Å; L336-L338 HydrophobicContact CD2-CG 4.46Å; L336-L338 HydrophobicContact CG-CD1 4.44Å; L336-L338 HydrophobicContact CG-CG 4.11Å; L336-F351 HydrophobicContact CD2-CD1 3.99Å; L336-F351 HydrophobicContact CD2-CE1 3.74Å; L336-L357 HydrophobicContact CB-CD1 3.69Å; L336-L357 HydrophobicContact CB-CD2 4.33Å; L336-E359 PolarHBondContact N-O 2.96Å; L336-E359 VanDerWaalsContact N-O 3.12Å; L336-N361 PolarHBondContact O-N 2.97Å
337	D	98.3	Very high	96.3	Very high	30 Å²	30	44 Å²	44	16%	0.16	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	109.9	177.8	-159.8	-34.6	0	0	0	111.1	L312 L314 Q315 S339 N361	L312-D337 PolarHBondContact O-N 2.99Å; L314-D337 PolarHBondContact N-O 3.46Å; Q315-D337 PolarHBondContact N-O 2.65Å; D337-S339 VanDerWaalsContact OD1-CB 3.23Å; D337-S339 WeakPolarHBondContact OD1-CB 3.19Å; D337-S339 PolarHBondContact OD1-N 3.2Å; D337-S339 PolarHBondContact OD1-OG 3.4Å; D337-N361 HydrophobicContact CB-CB 4.26Å; D337-N361 VanDerWaalsContact CG-ND2 3.33Å; D337-N361 PolarHBondContact OD1-ND2 3.23Å; D337-N361 PolarHBondContact OD2-ND2 2.79Å
338	L	98.1	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.			trans	-111.7	11.7	176.5	-61.3	177	0	0	0	111.2	L314 L322 F327 L336 N341 F343 F351 N361 V362 N365	L314-L338 HydrophobicContact CB-CD2 4.16Å; L314-L338 HydrophobicContact CD1-CD2 3.77Å; L322-L338 HydrophobicContact CD1-CD1 4.08Å; L322-L338 HydrophobicContact CD1-CD2 4.43Å; F327-L338 HydrophobicContact CZ-CD2 4.45Å; L336-L338 HydrophobicContact CD1-CD2 4.16Å; L336-L338 HydrophobicContact CD1-CG 4.28Å; L336-L338 HydrophobicContact CD2-CD1 4.27Å; L336-L338 HydrophobicContact CD2-CG 4.46Å; L336-L338 HydrophobicContact CG-CD1 4.44Å; L336-L338 HydrophobicContact CG-CG 4.11Å; L338-N341 PolarHBondContact O-ND2 3.11Å; L338-F343 HydrophobicContact CB-CE2 4.02Å; L338-F343 HydrophobicContact CD1-CE2 4.49Å; L338-F343 HydrophobicContact CD2-CE2 4.48Å; L338-F351 HydrophobicContact CD1-CE1 4.1Å; L338-F351 HydrophobicContact CD1-CZ 4.27Å; L338-N361 CarbonylContact C-O 3.42Å; L338-N361 PolarHBondContact N-O 3.07Å; L338-V362 HydrophobicContact CB-CG1 4.05Å; L338-V362 HydrophobicContact CD1-CG1 4.3Å; L338-N365 PolarHBondContact O-ND2 2.03Å
339	S	98.4	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.			trans	-69.6	154	-172.3	61.6	0	0	0	0	113.8	Q315 Q316 D337 N341 N361 Q363	Q315-S339 CarbonylContact C-O 3.54Å; Q315-S339 WeakPolarHBondContact CA-O 3.28Å; Q315-S339 WeakPolarHBondContact CG-OG 3.21Å; Q315-S339 PolarHBondContact NE2-OG 3.05Å; Q316-S339 PolarHBondContact N-O 3.43Å; D337-S339 VanDerWaalsContact OD1-CB 3.23Å; D337-S339 WeakPolarHBondContact OD1-CB 3.19Å; D337-S339 PolarHBondContact OD1-N 3.2Å; D337-S339 PolarHBondContact OD1-OG 3.4Å; S339-N341 PolarHBondContact O-ND2 3.4Å; S339-N361 PolarHBondContact N-O 2.65Å; S339-N361 PolarHBondContact OG-ND2 2.95Å; S339-Q363 CarbonylContact C-O 3.37Å; S339-Q363 WeakPolarHBondContact CA-O 3.21Å; S339-Q363 VanDerWaalsContact CB-CG 3.42Å; S339-Q363 WeakPolarHBondContact CB-O 3Å
340	K	98.3	Very high	96.1	Very high	114 Å²	114	45.8 Å²	45.8	50%	0.496	22%	0.223	S	C	.	.	S	Bend	trans	57.2	55.6	-177.3	-56.2	-172	175.7	-167.1	0	111.7	Q316 N317 Q363 G364	Q316-K340 WeakPolarHBondContact CA-O 3.36Å; Q316-K340 HydrophobicContact CB-CB 4.49Å; Q316-K340 HydrophobicContact CG-CB 3.68Å; Q316-K340 HydrophobicContact CG-CD 3.8Å; Q316-K340 HydrophobicContact CG-CG 4.33Å; Q316-K340 PolarHBondContact N-O 3.43Å; N317-K340 PolarHBondContact N-O 3.09Å; K340-Q363 PolarHBondContact N-O 3.21Å; K340-G364 WeakPolarHBondContact CA-O 3.05Å; K340-G364 PolarHBondContact N-O 3.48Å
341	N	98.6	Very high	96	Very high	5 Å²	5	46 Å²	46	3%	0.027	22%	0.224	C	C	.	.	S	Bend	trans	-126.6	-166.1	171.3	-85.1	-80.2	0	0	0	107.6	L314 N317 L319 L338 S339 F343 N365	L314-N341 PolarHBondContact O-ND2 3.1Å; N317-N341 WeakPolarHBondContact CA-OD1 3.47Å; N317-N341 WeakPolarHBondContact CB-OD1 3.47Å; N317-N341 PolarHBondContact N-OD1 3.34Å; N317-N341 PolarHBondContact O-OD1 2.85Å; L319-N341 HydrophobicContact CB-CB 4.39Å; L319-N341 WeakPolarHBondContact CB-OD1 3.33Å; L319-N341 PolarHBondContact N-OD1 3.2Å; L319-N341 WeakPolarHBondContact O-CB 3.32Å; L338-N341 PolarHBondContact O-ND2 3.11Å; S339-N341 PolarHBondContact O-ND2 3.4Å; N341-F343 HydrophobicContact CB-CD2 3.7Å; N341-F343 HydrophobicContact CB-CE2 3.71Å; N341-N365 VanDerWaalsContact CA-OD1 3.22Å; N341-N365 WeakPolarHBondContact CA-OD1 3.18Å; N341-N365 WeakPolarHBondContact CB-OD1 3.49Å; N341-N365 PolarHBondContact N-OD1 3.08Å; N341-N365 PolarHBondContact O-OD1 3.19Å
342	H	98.1	Very high	95.9	Very high	78 Å²	78	46 Å²	46	36%	0.361	23%	0.225	S	C	.	.			trans	-112.6	30.3	-178	-55.5	-47.4	0	0	0	112.6	N318 L319 S320 V344 N365 M366	N318-H342 VanDerWaalsContact CA-CD2 3.44Å; N318-H342 WeakPolarHBondContact CA-CD2 3.02Å; N318-H342 PolarHBondContact OD1-NE2 3.33Å; L319-H342 CarbonylContact O-C 3.45Å; L319-H342 WeakPolarHBondContact O-CA 3.32Å; L319-H342 PolarHBondContact O-N 2.85Å; S320-H342 WeakPolarHBondContact CA-O 3.49Å; H342-V344 PolarHBondContact O-N 3.14Å; H342-N365 PolarHBondContact N-OD1 3.35Å; H342-M366 HydrophobicContact CB-CE 3.65Å
343	F	98.3	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.			trans	-68.1	126.8	178.3	-67.6	-69.1	0	0	0	111	L319 S320 L322 L338 N341 L346 N365 M366 I367	L319-F343 HydrophobicContact CB-CE1 4.37Å; L319-F343 HydrophobicContact CB-CE2 4.05Å; L319-F343 HydrophobicContact CB-CZ 3.66Å; L319-F343 HydrophobicContact CD1-CZ 4.42Å; S320-F343 WeakPolarHBondContact O-CD1 3Å; L322-F343 HydrophobicContact CD1-CE1 4.42Å; L322-F343 HydrophobicContact CD1-CZ 4.21Å; L322-F343 HydrophobicContact CD2-CZ 4.16Å; L322-F343 HydrophobicContact CG-CE1 3.89Å; L322-F343 HydrophobicContact CG-CZ 3.86Å; L338-F343 HydrophobicContact CB-CE2 4.02Å; L338-F343 HydrophobicContact CD1-CE2 4.49Å; L338-F343 HydrophobicContact CD2-CE2 4.48Å; N341-F343 HydrophobicContact CB-CD2 3.7Å; N341-F343 HydrophobicContact CB-CE2 3.71Å; F343-L346 HydrophobicContact CB-CD2 4.1Å; F343-L346 HydrophobicContact CD1-CD2 4.2Å; F343-L346 HydrophobicContact CG-CD2 4.07Å; F343-N365 HydrophobicContact CB-CB 4.2Å; F343-N365 VanDerWaalsContact CD2-OD1 3.29Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.44Å; F343-N365 PolarHBondContact N-OD1 3.06Å; F343-N365 VanDerWaalsContact N-OD1 3.16Å; F343-M366 CarbonylContact O-C 3.29Å; F343-M366 VanDerWaalsContact O-C 3.29Å; F343-M366 WeakPolarHBondContact O-CA 3.18Å; F343-M366 PolarHBondContact O-N 2.98Å; F343-I367 HydrophobicContact CB-CG1 4.31Å; F343-I367 WeakPolarHBondContact O-CG1 3.29Å; F343-I367 PolarHBondContact O-N 3.5Å
344	V	97.2	Very high	95.6	Very high	60 Å²	60	41 Å²	41	36%	0.364	21%	0.206	S	C	.	.	S	Bend	trans	-103.2	-33.7	178	-175.8	0	0	0	0	111.8	H342 M366 I367 N368	H342-V344 PolarHBondContact O-N 3.14Å; V344-M366 WeakPolarHBondContact CA-O 3.45Å; V344-M366 HydrophobicContact CG2-CB 4.22Å; V344-M366 HydrophobicContact CG2-CE 4.3Å; V344-I367 WeakPolarHBondContact O-CA 3.36Å; V344-N368 WeakPolarHBondContact CG1-ND2 3.03Å; V344-N368 PolarHBondContact O-N 2.91Å
345	N	93.9	Very high	95.3	Very high	88 Å²	88	40.1 Å²	40.1	47%	0.471	20%	0.204	S	C	.	.			trans	-135.4	157.8	172.6	-67.1	66.4	0	0	0	108.1	S369	N345-S369 PolarHBondContact ND2-OG 2.86Å
346	L	95.3	Very high	95.2	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.052	21%	0.21	C	C	.	.			trans	-120.6	137.8	170.3	-60.7	175.5	0	0	0	108.9	F343 Y350 F351 V362 I367 L374	F343-L346 HydrophobicContact CB-CD2 4.1Å; F343-L346 HydrophobicContact CD1-CD2 4.2Å; F343-L346 HydrophobicContact CG-CD2 4.07Å; L346-Y350 HydrophobicContact CD2-CD2 4.46Å; L346-F351 HydrophobicContact CB-CE2 4.43Å; L346-V362 HydrophobicContact CD1-CB 4.41Å; L346-V362 HydrophobicContact CD1-CG1 4Å; L346-V362 HydrophobicContact CD1-CG2 4.33Å; L346-I367 HydrophobicContact CD1-CD1 3.77Å; L346-I367 HydrophobicContact CD2-CD1 4.41Å; L346-I367 HydrophobicContact CG-CD1 3.99Å; L346-L374 HydrophobicContact CB-CD1 3.79Å; L346-L374 HydrophobicContact CB-CD2 3.89Å; L346-L374 HydrophobicContact CB-CG 4.49Å; L346-L374 HydrophobicContact CD1-CD2 4.21Å
347	S	94.3	Very high	95.1	Very high	42 Å²	42	41.3 Å²	41.3	29%	0.294	21%	0.209	S	C	.	.			trans	-102.9	142.4	177.7	-178	0	0	0	0	111	D349 Y350 L374	S347-D349 PolarHBondContact O-N 2.85Å; S347-D349 VanDerWaalsContact O-N 3.17Å; S347-D349 PolarHBondContact OG-N 2.5Å; S347-Y350 WeakPolarHBondContact O-CB 3.1Å; S347-Y350 PolarHBondContact O-N 3Å; S347-L374 VanDerWaalsContact C-CD1 3.5Å
348	P	92.9	Very high	95.1	Very high	37 Å²	37	41.9 Å²	41.9	24%	0.24	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-51.7	-35.4	171.1	-23.4	31.1	0	0	0	112.6	Y350 F351 Q373	P348-Y350 PolarHBondContact O-N 3.02Å; P348-Y350 VanDerWaalsContact O-N 3.07Å; P348-F351 PolarHBondContact O-N 2.72Å; P348-Q373 HydrophobicContact CG-CB 4.18Å
349	D	92.7	Very high	95.1	Very high	63 Å²	63	43.8 Å²	43.8	34%	0.337	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.3	-18.6	177.4	-89.7	4.4	0	0	0	115	K324 G325 S347	K324-D349 HydrophobicContact CB-CB 4.3Å; K324-D349 WeakPolarHBondContact CD-OD2 3.49Å; K324-D349 HydrophobicContact CG-CB 3.96Å; K324-D349 WeakPolarHBondContact CG-OD2 3.04Å; K324-D349 IonicContact NZ-OD1 3.48Å; K324-D349 PolarHBondContact NZ-OD1 2.86Å; K324-D349 IonicContact NZ-OD2 3.99Å; K324-D349 PolarHBondContact NZ-OD2 2.69Å; G325-D349 PolarHBondContact N-O 3.02Å; S347-D349 PolarHBondContact O-N 2.85Å; S347-D349 VanDerWaalsContact O-N 3.17Å; S347-D349 PolarHBondContact OG-N 2.5Å
350	Y	93.4	Very high	95.1	Very high	30 Å²	30	43.9 Å²	43.9	12%	0.118	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-76.6	-26.3	176.6	-60.9	-12.4	0	0	0	112	L322 F327 L346 S347 P348	L322-Y350 HydrophobicContact CB-CD1 3.85Å; L322-Y350 HydrophobicContact CB-CD2 4.18Å; L322-Y350 HydrophobicContact CB-CE1 4Å; L322-Y350 HydrophobicContact CB-CE2 4.3Å; L322-Y350 HydrophobicContact CB-CG 3.94Å; L322-Y350 HydrophobicContact CD1-CD2 4.2Å; L322-Y350 HydrophobicContact CD1-CG 4.22Å; L322-Y350 WeakPolarHBondContact O-CE1 3.15Å; F327-Y350 WeakPolarHBondContact CD2-O 3.28Å; L346-Y350 HydrophobicContact CD2-CD2 4.46Å; S347-Y350 WeakPolarHBondContact O-CB 3.1Å; S347-Y350 PolarHBondContact O-N 3Å; P348-Y350 PolarHBondContact O-N 3.02Å; P348-Y350 VanDerWaalsContact O-N 3.07Å
351	F	92.8	Very high	95.1	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.026	20%	0.2	C	C	.	.	S	Bend	trans	-108.7	18.5	-174.1	-52.1	-64.6	0	0	0	113.2	L336 L338 L346 P348 G353 P354 I360 L374 L378	L336-F351 HydrophobicContact CD2-CD1 3.99Å; L336-F351 HydrophobicContact CD2-CE1 3.74Å; L338-F351 HydrophobicContact CD1-CE1 4.1Å; L338-F351 HydrophobicContact CD1-CZ 4.27Å; L346-F351 HydrophobicContact CB-CE2 4.43Å; P348-F351 PolarHBondContact O-N 2.72Å; F351-G353 PolarHBondContact O-N 3.23Å; F351-P354 WeakPolarHBondContact O-CD 3.32Å; F351-I360 HydrophobicContact CD1-CD1 4.22Å; F351-I360 HydrophobicContact CE1-CD1 3.54Å; F351-I360 HydrophobicContact CE2-CD1 4.28Å; F351-I360 HydrophobicContact CZ-CD1 3.58Å; F351-L374 HydrophobicContact CD2-CD1 3.99Å; F351-L374 HydrophobicContact CE2-CD1 3.83Å; F351-L374 HydrophobicContact CE2-CG 4.43Å; F351-L378 HydrophobicContact CB-CD1 3.89Å; F351-L378 HydrophobicContact CB-CD2 4.42Å; F351-L378 HydrophobicContact CG-CD1 4.19Å
352	E	91.8	Very high	95.1	Very high	94 Å²	94	38.5 Å²	38.5	44%	0.439	20%	0.2	S	C	.	.	S	Bend	trans	-63.2	112.7	170.1	-169.9	-175.8	157.5	0	0	110.4	K324 F327 S328 P354	K324-E352 IonicContact NZ-OE2 2.73Å; K324-E352 PolarHBondContact NZ-OE2 2.87Å; F327-E352 CarbonylContact C-O 3.55Å; S328-E352 VanDerWaalsContact CA-O 3.25Å; S328-E352 WeakPolarHBondContact CA-O 3.14Å; S328-E352 PolarHBondContact N-O 2.99Å; E352-P354 VanDerWaalsContact O-CD 3.27Å; E352-P354 WeakPolarHBondContact O-CD 3.46Å
353	G	89.8	Confident	95.1	Very high	9 Å²	9	36.9 Å²	36.9	9%	0.093	19%	0.192	C	C	.	.	S	Bend	trans	109.9	-35.6	168.9	0	0	0	0	0	119.4	K331 F351 E355	K331-G353 WeakPolarHBondContact CD-O 3.23Å; F351-G353 PolarHBondContact O-N 3.23Å; G353-E355 PolarHBondContact O-N 3.29Å
354	P	94	Very high	95.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.013	21%	0.205	C	C	.	.			trans	-75.8	52.8	173.2	31.4	-36.9	0	0	0	112.5	F327 F351 E352 K356 L357	F327-P354 HydrophobicContact CB-CG 3.98Å; F351-P354 WeakPolarHBondContact O-CD 3.32Å; E352-P354 VanDerWaalsContact O-CD 3.27Å; E352-P354 WeakPolarHBondContact O-CD 3.46Å; P354-K356 PolarHBondContact O-N 2.76Å; P354-L357 VanDerWaalsContact O-CB 3.28Å; P354-L357 WeakPolarHBondContact O-CB 3.5Å; P354-L357 PolarHBondContact O-N 3.12Å
355	E	91.4	Very high	95.1	Very high	90 Å²	90	35.8 Å²	35.8	42%	0.421	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-16.9	-178.7	-59	140.8	-135.1	0	0	114.5	K331 G353 Y380	K331-E355 IonicContact NZ-OE1 2.88Å; K331-E355 PolarHBondContact NZ-OE1 2.91Å; G353-E355 PolarHBondContact O-N 3.29Å; E355-Y380 VanDerWaalsContact O-CD2 3.29Å; E355-Y380 WeakPolarHBondContact O-CD2 3.17Å
356	K	93.8	Very high	95.3	Very high	109 Å²	109	35.4 Å²	35.4	47%	0.474	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	16.5	-177.9	-53.3	-163.3	-179.8	-162.5	0	113.1	V333 P354	V333-K356 CarbonylContact O-C 3.44Å; P354-K356 PolarHBondContact O-N 2.76Å
357	L	96.8	Very high	95.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.184	C	C	.	.			trans	-60.6	131.9	172.5	-162.1	66.9	0	0	0	109.9	V333 L336 P354 I360 L378 Y380 L381	V333-L357 HydrophobicContact CG1-CD1 4.08Å; L336-L357 HydrophobicContact CB-CD1 3.69Å; L336-L357 HydrophobicContact CB-CD2 4.33Å; P354-L357 VanDerWaalsContact O-CB 3.28Å; P354-L357 WeakPolarHBondContact O-CB 3.5Å; P354-L357 PolarHBondContact O-N 3.12Å; L357-I360 HydrophobicContact CD2-CB 4.02Å; L357-I360 HydrophobicContact CD2-CD1 4.5Å; L357-L378 HydrophobicContact CB-CD2 4.42Å; L357-Y380 CarbonylContact O-C 3.03Å; L357-Y380 WeakPolarHBondContact O-CB 3.1Å; L357-L381 HydrophobicContact CB-CD2 4.25Å; L357-L381 HydrophobicContact CD2-CD2 4.03Å; L357-L381 HydrophobicContact CG-CD2 3.88Å; L357-L381 PolarHBondContact O-N 3.36Å; L357-L381 VanDerWaalsContact O-N 3.14Å
358	T	97.7	Very high	95.6	Very high	42 Å²	42	36.1 Å²	36.1	26%	0.258	19%	0.188	S	C	.	.			trans	-117.8	-19.8	-178.5	59.1	0	0	0	0	113.1	K334 T382 T383	K334-T358 WeakPolarHBondContact O-CA 3.27Å; K334-T358 PolarHBondContact O-N 2.99Å; K334-T358 PolarHBondContact O-OG1 2.82Å; T358-T382 PolarHBondContact O-N 2.72Å; T358-T382 PolarHBondContact O-OG1 2.79Å; T358-T383 PolarHBondContact O-N 2.87Å; T358-T383 VanDerWaalsContact O-N 3.1Å
359	E	98.1	Very high	95.7	Very high	40 Å²	40	36.6 Å²	36.6	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	126.6	177.2	178.5	172	-169.8	0	0	109.3	K334 K335 L336 T383 K385	K334-E359 PolarHBondContact O-N 2.91Å; K335-E359 WeakPolarHBondContact CA-O 3.48Å; K335-E359 VanDerWaalsContact CD-OE2 3.28Å; K335-E359 WeakPolarHBondContact CD-OE2 3.31Å; K335-E359 WeakPolarHBondContact CE-OE2 3.16Å; K335-E359 HydrophobicContact CG-CB 4.1Å; L336-E359 PolarHBondContact N-O 2.96Å; L336-E359 VanDerWaalsContact N-O 3.12Å; E359-T383 WeakPolarHBondContact CA-O 3.33Å; E359-T383 HydrophobicContact CG-CG2 4.02Å; E359-K385 WeakPolarHBondContact OE1-CE 3.31Å; E359-K385 IonicContact OE1-NZ 3.12Å; E359-K385 PolarHBondContact OE1-NZ 3.38Å
360	I	97.8	Very high	95.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.3	169	-174.7	171.6	0	0	0	109.3	F351 L357 V362 F375 L381 T383 I384 K385	F351-I360 HydrophobicContact CD1-CD1 4.22Å; F351-I360 HydrophobicContact CE1-CD1 3.54Å; F351-I360 HydrophobicContact CE2-CD1 4.28Å; F351-I360 HydrophobicContact CZ-CD1 3.58Å; L357-I360 HydrophobicContact CD2-CB 4.02Å; L357-I360 HydrophobicContact CD2-CD1 4.5Å; I360-V362 HydrophobicContact CD1-CG1 4.34Å; I360-V362 HydrophobicContact CG1-CG1 4.24Å; I360-F375 HydrophobicContact CG2-CE1 4.42Å; I360-L381 HydrophobicContact CB-CD2 4.16Å; I360-L381 HydrophobicContact CG2-CD1 4.04Å; I360-L381 HydrophobicContact CG2-CD2 3.87Å; I360-T383 PolarHBondContact N-O 3.36Å; I360-T383 VanDerWaalsContact N-O 3.09Å; I360-I384 HydrophobicContact CG2-CB 4.29Å; I360-I384 HydrophobicContact CG2-CG1 3.78Å; I360-I384 HydrophobicContact CG2-CG2 4.29Å; I360-K385 PolarHBondContact O-N 3.03Å; I360-K385 VanDerWaalsContact O-N 3.08Å
361	N	98.4	Very high	95.8	Very high	5 Å²	5	37 Å²	37	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.6	178.7	-170.6	14.6	0	0	0	111	L336 D337 L338 S339 Q363 K385	L336-N361 PolarHBondContact O-N 2.97Å; D337-N361 HydrophobicContact CB-CB 4.26Å; D337-N361 VanDerWaalsContact CG-ND2 3.33Å; D337-N361 PolarHBondContact OD1-ND2 3.23Å; D337-N361 PolarHBondContact OD2-ND2 2.79Å; L338-N361 CarbonylContact C-O 3.42Å; L338-N361 PolarHBondContact N-O 3.07Å; S339-N361 PolarHBondContact N-O 2.65Å; S339-N361 PolarHBondContact OG-ND2 2.95Å; N361-Q363 PolarHBondContact ND2-NE2 2.81Å; N361-Q363 VanDerWaalsContact ND2-NE2 3.15Å; N361-Q363 VanDerWaalsContact OD1-CD 3.23Å; N361-Q363 WeakPolarHBondContact OD1-CG 3.04Å; N361-Q363 PolarHBondContact OD1-N 2.64Å; N361-K385 HydrophobicContact CB-CB 4.49Å; N361-K385 HydrophobicContact CB-CD 4.22Å; N361-K385 VanDerWaalsContact OD1-CB 3.28Å; N361-K385 WeakPolarHBondContact OD1-CB 3.3Å
362	V	98.1	Very high	95.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.215	C	C	.	.			trans	-127	16.8	178.6	-71.3	0	0	0	0	111.4	L338 L346 I360 N365 I367 K385 L386 N389	L338-V362 HydrophobicContact CB-CG1 4.05Å; L338-V362 HydrophobicContact CD1-CG1 4.3Å; L346-V362 HydrophobicContact CD1-CB 4.41Å; L346-V362 HydrophobicContact CD1-CG1 4Å; L346-V362 HydrophobicContact CD1-CG2 4.33Å; I360-V362 HydrophobicContact CD1-CG1 4.34Å; I360-V362 HydrophobicContact CG1-CG1 4.24Å; V362-N365 PolarHBondContact O-ND2 2.97Å; V362-I367 HydrophobicContact CB-CD1 3.96Å; V362-I367 HydrophobicContact CG2-CD1 4.18Å; V362-K385 CarbonylContact C-O 3.29Å; V362-K385 VanDerWaalsContact CG2-O 3.26Å; V362-K385 WeakPolarHBondContact CG2-O 3.29Å; V362-K385 PolarHBondContact N-O 3.48Å; V362-L386 HydrophobicContact CG2-CD2 3.51Å; V362-L386 HydrophobicContact CG2-CG 4.01Å; V362-N389 PolarHBondContact O-ND2 2.93Å
363	Q	97.9	Very high	95.5	Very high	44 Å²	44	40.3 Å²	40.3	21%	0.206	22%	0.22	C	C	.	.			trans	-56.6	151.3	175.2	74.9	-169.3	-9.6	0	0	111.9	S339 K340 N361 K385 A387	S339-Q363 CarbonylContact C-O 3.37Å; S339-Q363 WeakPolarHBondContact CA-O 3.21Å; S339-Q363 VanDerWaalsContact CB-CG 3.42Å; S339-Q363 WeakPolarHBondContact CB-O 3Å; K340-Q363 PolarHBondContact N-O 3.21Å; N361-Q363 PolarHBondContact ND2-NE2 2.81Å; N361-Q363 VanDerWaalsContact ND2-NE2 3.15Å; N361-Q363 VanDerWaalsContact OD1-CD 3.23Å; N361-Q363 WeakPolarHBondContact OD1-CG 3.04Å; N361-Q363 PolarHBondContact OD1-N 2.64Å; Q363-K385 HydrophobicContact CB-CB 4.46Å; Q363-K385 PolarHBondContact N-O 2.69Å; Q363-K385 VanDerWaalsContact N-O 3.12Å; Q363-A387 CarbonylContact C-O 3.35Å; Q363-A387 WeakPolarHBondContact CA-O 3.33Å; Q363-A387 HydrophobicContact CB-CB 4.3Å; Q363-A387 WeakPolarHBondContact CB-O 3.47Å
364	G	98.2	Very high	95.7	Very high	27 Å²	27	40.1 Å²	40.1	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	67.4	34.1	175.1	0	0	0	0	0	114.1	K340 A387 N388	K340-G364 WeakPolarHBondContact CA-O 3.05Å; K340-G364 PolarHBondContact N-O 3.48Å; G364-A387 PolarHBondContact N-O 2.89Å; G364-N388 CarbonylContact C-O 3.55Å; G364-N388 WeakPolarHBondContact CA-O 3.35Å; G364-N388 PolarHBondContact N-O 2.95Å
365	N	98.7	Very high	95.6	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.053	22%	0.216	C	C	.	.	S	Bend	trans	-109	-164.9	170	-78	-82.3	0	0	0	108.6	L338 N341 H342 F343 V362 I367 N388 N389	L338-N365 PolarHBondContact O-ND2 2.03Å; N341-N365 VanDerWaalsContact CA-OD1 3.22Å; N341-N365 WeakPolarHBondContact CA-OD1 3.18Å; N341-N365 WeakPolarHBondContact CB-OD1 3.49Å; N341-N365 PolarHBondContact N-OD1 3.08Å; N341-N365 PolarHBondContact O-OD1 3.19Å; H342-N365 PolarHBondContact N-OD1 3.35Å; F343-N365 HydrophobicContact CB-CB 4.2Å; F343-N365 VanDerWaalsContact CD2-OD1 3.29Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.44Å; F343-N365 PolarHBondContact N-OD1 3.06Å; F343-N365 VanDerWaalsContact N-OD1 3.16Å; V362-N365 PolarHBondContact O-ND2 2.97Å; N365-I367 HydrophobicContact CB-CD1 4.03Å; N365-I367 HydrophobicContact CB-CG1 3.89Å; N365-N388 PolarHBondContact N-O 3.44Å; N365-N389 VanDerWaalsContact CA-OD1 3.25Å; N365-N389 WeakPolarHBondContact CA-OD1 3.3Å; N365-N389 WeakPolarHBondContact CB-OD1 3.35Å; N365-N389 PolarHBondContact N-OD1 3.37Å; N365-N389 PolarHBondContact O-OD1 2.75Å
366	M	98.3	Very high	95.6	Very high	80 Å²	80	41 Å²	41	39%	0.394	22%	0.221	S	C	.	.			trans	-112.5	34.2	177.2	-65.8	177.7	-74	0	0	111.4	H342 F343 V344 N368 N389 D390	H342-M366 HydrophobicContact CB-CE 3.65Å; F343-M366 CarbonylContact O-C 3.29Å; F343-M366 VanDerWaalsContact O-C 3.29Å; F343-M366 WeakPolarHBondContact O-CA 3.18Å; F343-M366 PolarHBondContact O-N 2.98Å; V344-M366 WeakPolarHBondContact CA-O 3.45Å; V344-M366 HydrophobicContact CG2-CB 4.22Å; V344-M366 HydrophobicContact CG2-CE 4.3Å; M366-N368 PolarHBondContact O-N 3.25Å; M366-N389 PolarHBondContact N-OD1 3.26Å; M366-D390 WeakPolarHBondContact CA-OD2 3.3Å; M366-D390 WeakPolarHBondContact CB-OD2 3.48Å
367	I	98.3	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.			trans	-74.3	112.4	-169.6	-58.2	166.8	0	0	0	109.6	F343 V344 L346 V362 N365 S369 L370 N389 D390 L391	F343-I367 HydrophobicContact CB-CG1 4.31Å; F343-I367 WeakPolarHBondContact O-CG1 3.29Å; F343-I367 PolarHBondContact O-N 3.5Å; V344-I367 WeakPolarHBondContact O-CA 3.36Å; L346-I367 HydrophobicContact CD1-CD1 3.77Å; L346-I367 HydrophobicContact CD2-CD1 4.41Å; L346-I367 HydrophobicContact CG-CD1 3.99Å; V362-I367 HydrophobicContact CB-CD1 3.96Å; V362-I367 HydrophobicContact CG2-CD1 4.18Å; N365-I367 HydrophobicContact CB-CD1 4.03Å; N365-I367 HydrophobicContact CB-CG1 3.89Å; I367-S369 VanDerWaalsContact CG2-O 3.28Å; I367-S369 WeakPolarHBondContact CG2-O 3.5Å; I367-L370 HydrophobicContact CG2-CD2 3.73Å; I367-N389 HydrophobicContact CB-CB 4.2Å; I367-N389 VanDerWaalsContact CB-OD1 3.31Å; I367-N389 WeakPolarHBondContact CB-OD1 3.45Å; I367-N389 VanDerWaalsContact CG1-OD1 3.32Å; I367-N389 WeakPolarHBondContact CG1-OD1 3.22Å; I367-N389 PolarHBondContact N-OD1 2.97Å; I367-D390 CarbonylContact O-C 3.3Å; I367-D390 VanDerWaalsContact O-C 3.3Å; I367-D390 WeakPolarHBondContact O-CA 3.49Å; I367-D390 PolarHBondContact O-N 3.2Å; I367-L391 HydrophobicContact CG2-CD2 4.11Å; I367-L391 WeakPolarHBondContact O-CD2 3.25Å; I367-L391 PolarHBondContact O-N 3.37Å; I367-L391 VanDerWaalsContact O-N 3.15Å
368	N	96.6	Very high	95.3	Very high	68 Å²	68	41.6 Å²	41.6	36%	0.364	23%	0.229	S	C	.	.			trans	-95.5	-18.4	-178.4	60.9	54.7	0	0	0	114.2	V344 M366 D390	V344-N368 WeakPolarHBondContact CG1-ND2 3.03Å; V344-N368 PolarHBondContact O-N 2.91Å; M366-N368 PolarHBondContact O-N 3.25Å; N368-D390 HydrophobicContact CB-CB 4.23Å
369	S	94.8	Very high	95.1	Very high	46 Å²	46	44.4 Å²	44.4	32%	0.322	24%	0.239	S	C	.	.			trans	-154.1	155.4	-175.8	51.1	0	0	0	0	111	N345 I367	N345-S369 PolarHBondContact ND2-OG 2.86Å; I367-S369 VanDerWaalsContact CG2-O 3.28Å; I367-S369 WeakPolarHBondContact CG2-O 3.5Å
370	L	95.4	Very high	95	Very high	26 Å²	26	47.9 Å²	47.9	14%	0.136	25%	0.251	C	S	.	.			trans	-125	138	174.1	-59.2	177.4	0	0	0	109.1	I367 L374 F375 L386 L391 L394 V398	I367-L370 HydrophobicContact CG2-CD2 3.73Å; L370-L374 HydrophobicContact CB-CD2 4.26Å; L370-L374 HydrophobicContact CD2-CD2 3.77Å; L370-F375 HydrophobicContact CD1-CE2 4.29Å; L370-L386 HydrophobicContact CD1-CD1 3.73Å; L370-L386 HydrophobicContact CD1-CD2 4.1Å; L370-L386 HydrophobicContact CD2-CD2 4.02Å; L370-L391 HydrophobicContact CG-CD2 4.21Å; L370-L394 HydrophobicContact CB-CD2 4.01Å; L370-L394 HydrophobicContact CD1-CD1 4.3Å; L370-L394 HydrophobicContact CD1-CD2 3.67Å; L370-L394 HydrophobicContact CG-CD2 3.81Å; L370-V398 HydrophobicContact CB-CG2 4Å
371	D	92.4	Very high	95	Very high	77 Å²	77	47.8 Å²	47.8	41%	0.412	25%	0.251	S	S	.	.			trans	-74.1	139.3	173.4	-170.3	-65.7	0	0	0	110.3	Q373 L374 V398	D371-Q373 PolarHBondContact O-N 3.12Å; D371-Q373 WeakPolarHBondContact OD1-CB 3.2Å; D371-Q373 PolarHBondContact OD1-N 3.42Å; D371-L374 HydrophobicContact CB-CB 4.28Å; D371-L374 WeakPolarHBondContact O-CB 3.28Å; D371-L374 PolarHBondContact O-N 3.15Å; D371-L374 VanDerWaalsContact O-N 3.1Å; D371-V398 WeakPolarHBondContact O-CG2 3.43Å
372	A	88	Confident	94.9	Very high	50 Å²	50	49.5 Å²	49.5	41%	0.413	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31	-179.5	0	0	0	0	0	113
373	Q	90.8	Very high	94.9	Very high	119 Å²	119	50.5 Å²	50.5	56%	0.556	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.5	179.7	-63.3	-179.9	-10.1	0	0	113.2	P348 D371 F375 E376	P348-Q373 HydrophobicContact CG-CB 4.18Å; D371-Q373 PolarHBondContact O-N 3.12Å; D371-Q373 WeakPolarHBondContact OD1-CB 3.2Å; D371-Q373 PolarHBondContact OD1-N 3.42Å; Q373-F375 PolarHBondContact O-N 3.35Å; Q373-E376 WeakPolarHBondContact O-CB 3.03Å; Q373-E376 PolarHBondContact O-N 2.94Å; Q373-E376 VanDerWaalsContact O-N 3.09Å
374	L	93.7	Very high	94.9	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.3	-172.8	-172.6	62.8	0	0	0	114.2	L346 S347 F351 L370 D371	L346-L374 HydrophobicContact CB-CD1 3.79Å; L346-L374 HydrophobicContact CB-CD2 3.89Å; L346-L374 HydrophobicContact CB-CG 4.49Å; L346-L374 HydrophobicContact CD1-CD2 4.21Å; S347-L374 VanDerWaalsContact C-CD1 3.5Å; F351-L374 HydrophobicContact CD2-CD1 3.99Å; F351-L374 HydrophobicContact CE2-CD1 3.83Å; F351-L374 HydrophobicContact CE2-CG 4.43Å; L370-L374 HydrophobicContact CB-CD2 4.26Å; L370-L374 HydrophobicContact CD2-CD2 3.77Å; D371-L374 HydrophobicContact CB-CB 4.28Å; D371-L374 WeakPolarHBondContact O-CB 3.28Å; D371-L374 PolarHBondContact O-N 3.15Å; D371-L374 VanDerWaalsContact O-N 3.1Å
375	F	93.3	Very high	94.9	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	8.6	-176.8	-57.6	-69.4	0	0	0	113.8	I360 L370 Q373 N377 L378 L381 I384 V398 F399 S401 L402	I360-F375 HydrophobicContact CG2-CE1 4.42Å; L370-F375 HydrophobicContact CD1-CE2 4.29Å; Q373-F375 PolarHBondContact O-N 3.35Å; F375-N377 PolarHBondContact O-N 3.34Å; F375-L378 HydrophobicContact CD1-CD1 4.13Å; F375-L378 PolarHBondContact O-N 2.78Å; F375-L378 VanDerWaalsContact O-N 3.11Å; F375-L381 HydrophobicContact CD1-CD1 3.79Å; F375-L381 HydrophobicContact CE1-CD1 4.31Å; F375-I384 HydrophobicContact CD1-CD1 4.22Å; F375-I384 HydrophobicContact CE1-CD1 3.98Å; F375-I384 HydrophobicContact CE2-CD1 4.49Å; F375-I384 HydrophobicContact CZ-CD1 4.13Å; F375-V398 HydrophobicContact CD2-CG2 4.32Å; F375-V398 WeakPolarHBondContact CD2-O 3.09Å; F375-V398 HydrophobicContact CE2-CG2 4.44Å; F375-F399 HydrophobicContact CD2-CD1 4.3Å; F375-F399 HydrophobicContact CD2-CE1 4.34Å; F375-F399 HydrophobicContact CE2-CD1 4.35Å; F375-F399 AromaticContact CE2-CE1 3.93Å; F375-F399 HydrophobicContact CE2-CE1 3.93Å; F375-S401 PolarHBondContact O-OG 2.98Å; F375-L402 HydrophobicContact CB-CD1 3.97Å; F375-L402 HydrophobicContact CB-CD2 3.99Å; F375-L402 HydrophobicContact CB-CG 4.09Å; F375-L402 HydrophobicContact CG-CD1 4.12Å
376	E	90.7	Very high	94.9	Very high	109 Å²	109	49.1 Å²	49.1	51%	0.509	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-48.1	-173.6	-169.7	177.7	166	0	0	111.9	Q373 L378	Q373-E376 WeakPolarHBondContact O-CB 3.03Å; Q373-E376 PolarHBondContact O-N 2.94Å; Q373-E376 VanDerWaalsContact O-N 3.09Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 2.52Å
377	N	89.6	Confident	94.8	Very high	122 Å²	122	45.3 Å²	45.3	65%	0.652	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	9.3	-178.7	-68.7	-75.2	0	0	0	114.7	F375	F375-N377 PolarHBondContact O-N 3.34Å
378	L	94.5	Very high	94.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.253	C	S	.	.			trans	-116	37.1	-169.2	-61.6	179.4	0	0	0	113.6	F351 L357 F375 E376 Y380 L381 L402	F351-L378 HydrophobicContact CB-CD1 3.89Å; F351-L378 HydrophobicContact CB-CD2 4.42Å; F351-L378 HydrophobicContact CG-CD1 4.19Å; L357-L378 HydrophobicContact CB-CD2 4.42Å; F375-L378 HydrophobicContact CD1-CD1 4.13Å; F375-L378 PolarHBondContact O-N 2.78Å; F375-L378 VanDerWaalsContact O-N 3.11Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 2.52Å; L378-Y380 PolarHBondContact O-N 2.95Å; L378-L381 HydrophobicContact CB-CD1 3.73Å; L378-L381 HydrophobicContact CB-CG 4.06Å; L378-L381 HydrophobicContact CD1-CD1 3.98Å; L378-L381 WeakPolarHBondContact O-CB 3.38Å; L378-L381 PolarHBondContact O-N 2.78Å; L378-L402 WeakPolarHBondContact O-CD2 3.44Å
379	E	93.4	Very high	94.9	Very high	100 Å²	100	45.8 Å²	45.8	47%	0.467	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-20.4	-176.8	-51.5	-179.6	-174.1	0	0	116	K404	E379-K404 VanDerWaalsContact CB-NZ 3.26Å; E379-K404 VanDerWaalsContact O-CD 3.28Å; E379-K404 WeakPolarHBondContact O-CD 3.34Å; E379-K404 VanDerWaalsContact O-CG 3.23Å; E379-K404 WeakPolarHBondContact O-CG 3.36Å; E379-K404 PolarHBondContact O-NZ 3.03Å; E379-K404 IonicContact OE2-NZ 3.18Å; E379-K404 PolarHBondContact OE2-NZ 3.45Å
380	Y	96	Very high	95.1	Very high	113 Å²	113	47 Å²	47	44%	0.443	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.7	-177	-73.5	-92.9	0	0	0	113.8	E355 L357 L378 T382 K404	E355-Y380 VanDerWaalsContact O-CD2 3.29Å; E355-Y380 WeakPolarHBondContact O-CD2 3.17Å; L357-Y380 CarbonylContact O-C 3.03Å; L357-Y380 WeakPolarHBondContact O-CB 3.1Å; L378-Y380 PolarHBondContact O-N 2.95Å; Y380-T382 PolarHBondContact O-N 2.79Å; Y380-K404 HydrophobicContact CD1-CD 4.34Å
381	L	97.2	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.			trans	-60.4	130.1	176.2	-78.7	175.4	0	0	0	111.3	L357 I360 F375 L378 I384 L402 K404 L405	L357-L381 HydrophobicContact CB-CD2 4.25Å; L357-L381 HydrophobicContact CD2-CD2 4.03Å; L357-L381 HydrophobicContact CG-CD2 3.88Å; L357-L381 PolarHBondContact O-N 3.36Å; L357-L381 VanDerWaalsContact O-N 3.14Å; I360-L381 HydrophobicContact CB-CD2 4.16Å; I360-L381 HydrophobicContact CG2-CD1 4.04Å; I360-L381 HydrophobicContact CG2-CD2 3.87Å; F375-L381 HydrophobicContact CD1-CD1 3.79Å; F375-L381 HydrophobicContact CE1-CD1 4.31Å; L378-L381 HydrophobicContact CB-CD1 3.73Å; L378-L381 HydrophobicContact CB-CG 4.06Å; L378-L381 HydrophobicContact CD1-CD1 3.98Å; L378-L381 WeakPolarHBondContact O-CB 3.38Å; L378-L381 PolarHBondContact O-N 2.78Å; L381-I384 HydrophobicContact CD1-CD1 4.13Å; L381-I384 HydrophobicContact CD1-CG1 4.24Å; L381-L402 HydrophobicContact CB-CD2 4.1Å; L381-L402 HydrophobicContact CD1-CD1 4.46Å; L381-L402 HydrophobicContact CD1-CD2 4.26Å; L381-K404 CarbonylContact O-C 3.46Å; L381-L405 PolarHBondContact O-N 3.11Å
382	T	97.6	Very high	95.3	Very high	40 Å²	40	46.2 Å²	46.2	25%	0.245	23%	0.233	C	C	.	.			trans	-117.5	-24.4	176	67.7	0	0	0	0	112	T358 Y380 K406 K407	T358-T382 PolarHBondContact O-N 2.72Å; T358-T382 PolarHBondContact O-OG1 2.79Å; Y380-T382 PolarHBondContact O-N 2.79Å; T382-K406 PolarHBondContact O-N 3.28Å; T382-K407 PolarHBondContact O-N 2.95Å
383	T	98.1	Very high	95.6	Very high	22 Å²	22	46.3 Å²	46.3	14%	0.135	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.1	-178.8	-56.2	0	0	0	0	110.2	T358 E359 I360 K385 K407	T358-T383 PolarHBondContact O-N 2.87Å; T358-T383 VanDerWaalsContact O-N 3.1Å; E359-T383 WeakPolarHBondContact CA-O 3.33Å; E359-T383 HydrophobicContact CG-CG2 4.02Å; I360-T383 PolarHBondContact N-O 3.36Å; I360-T383 VanDerWaalsContact N-O 3.09Å; T383-K385 HydrophobicContact CG2-CG 4.36Å; T383-K407 CarbonylContact C-O 3.55Å; T383-K407 VanDerWaalsContact CA-O 3.28Å; T383-K407 WeakPolarHBondContact CA-O 3.48Å; T383-K407 HydrophobicContact CG2-CB 4.09Å
384	I	97.5	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.1	169.1	-64.5	-178	0	0	0	108.1	I360 F375 L381 L386 F399 L402 L405 K407 L408 D409	I360-I384 HydrophobicContact CG2-CB 4.29Å; I360-I384 HydrophobicContact CG2-CG1 3.78Å; I360-I384 HydrophobicContact CG2-CG2 4.29Å; F375-I384 HydrophobicContact CD1-CD1 4.22Å; F375-I384 HydrophobicContact CE1-CD1 3.98Å; F375-I384 HydrophobicContact CE2-CD1 4.49Å; F375-I384 HydrophobicContact CZ-CD1 4.13Å; L381-I384 HydrophobicContact CD1-CD1 4.13Å; L381-I384 HydrophobicContact CD1-CG1 4.24Å; I384-L386 HydrophobicContact CG2-CD1 3.61Å; I384-L386 HydrophobicContact CG2-CG 3.88Å; I384-F399 HydrophobicContact CD1-CD1 4.3Å; I384-F399 HydrophobicContact CD1-CE1 4.22Å; I384-L402 HydrophobicContact CD1-CD1 3.37Å; I384-L405 HydrophobicContact CB-CD1 4.45Å; I384-L405 HydrophobicContact CD1-CD1 4.17Å; I384-L405 HydrophobicContact CG1-CD1 3.98Å; I384-K407 PolarHBondContact N-O 3.31Å; I384-L408 HydrophobicContact CB-CD1 3.73Å; I384-L408 HydrophobicContact CG2-CD1 3.69Å; I384-L408 WeakPolarHBondContact O-CA 3.46Å; I384-D409 PolarHBondContact O-N 2.91Å
385	K	98.3	Very high	95.6	Very high	52 Å²	52	43.8 Å²	43.8	23%	0.226	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	110.5	173.2	-61.4	168.9	-169.9	161.9	0	110	E359 I360 N361 V362 Q363 T383 D409	E359-K385 WeakPolarHBondContact OE1-CE 3.31Å; E359-K385 IonicContact OE1-NZ 3.12Å; E359-K385 PolarHBondContact OE1-NZ 3.38Å; I360-K385 PolarHBondContact O-N 3.03Å; I360-K385 VanDerWaalsContact O-N 3.08Å; N361-K385 HydrophobicContact CB-CB 4.49Å; N361-K385 HydrophobicContact CB-CD 4.22Å; N361-K385 VanDerWaalsContact OD1-CB 3.28Å; N361-K385 WeakPolarHBondContact OD1-CB 3.3Å; V362-K385 CarbonylContact C-O 3.29Å; V362-K385 VanDerWaalsContact CG2-O 3.26Å; V362-K385 WeakPolarHBondContact CG2-O 3.29Å; V362-K385 PolarHBondContact N-O 3.48Å; Q363-K385 HydrophobicContact CB-CB 4.46Å; Q363-K385 PolarHBondContact N-O 2.69Å; Q363-K385 VanDerWaalsContact N-O 3.12Å; T383-K385 HydrophobicContact CG2-CG 4.36Å; K385-D409 HydrophobicContact CG-CB 4.3Å
386	L	97.7	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.			trans	-116.4	6.8	178.6	-77.3	155.6	0	0	0	111.7	V362 L370 I384 N389 L391 F399 L408 D409 L410 N413	V362-L386 HydrophobicContact CG2-CD2 3.51Å; V362-L386 HydrophobicContact CG2-CG 4.01Å; L370-L386 HydrophobicContact CD1-CD1 3.73Å; L370-L386 HydrophobicContact CD1-CD2 4.1Å; L370-L386 HydrophobicContact CD2-CD2 4.02Å; I384-L386 HydrophobicContact CG2-CD1 3.61Å; I384-L386 HydrophobicContact CG2-CG 3.88Å; L386-N389 WeakPolarHBondContact O-CB 3.09Å; L386-N389 PolarHBondContact O-ND2 2.9Å; L386-L391 HydrophobicContact CB-CD1 4.24Å; L386-L391 HydrophobicContact CD2-CD1 4.35Å; L386-F399 HydrophobicContact CD1-CE1 4.48Å; L386-F399 HydrophobicContact CD1-CZ 4.27Å; L386-L408 HydrophobicContact CD1-CD1 4.23Å; L386-D409 CarbonylContact C-O 3.31Å; L386-D409 WeakPolarHBondContact CA-O 3.39Å; L386-D409 PolarHBondContact N-O 3.02Å; L386-L410 HydrophobicContact CB-CD2 3.89Å; L386-L410 HydrophobicContact CD1-CD2 3.91Å; L386-N413 PolarHBondContact O-ND2 3.2Å
387	A	97.9	Very high	95	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.225	C	C	.	.			trans	-59.3	148.4	-176.7	0	0	0	0	0	114.1	Q363 G364 D409 S411	Q363-A387 CarbonylContact C-O 3.35Å; Q363-A387 WeakPolarHBondContact CA-O 3.33Å; Q363-A387 HydrophobicContact CB-CB 4.3Å; Q363-A387 WeakPolarHBondContact CB-O 3.47Å; G364-A387 PolarHBondContact N-O 2.89Å; A387-D409 WeakPolarHBondContact CB-OD1 3.32Å; A387-D409 PolarHBondContact N-O 2.77Å; A387-S411 CarbonylContact C-O 3.46Å; A387-S411 WeakPolarHBondContact CA-O 3.28Å; A387-S411 WeakPolarHBondContact CB-O 3.41Å; A387-S411 VanDerWaalsContact CB-OG 3.31Å; A387-S411 WeakPolarHBondContact CB-OG 3.49Å
388	N	97.8	Very high	95.1	Very high	73 Å²	73	37.2 Å²	37.2	39%	0.39	20%	0.195	S	C	.	.	S	Bend	trans	58.1	62.2	-178.7	-39.3	-97.8	0	0	0	110.5	G364 N365 S411 N412 N413	G364-N388 CarbonylContact C-O 3.55Å; G364-N388 WeakPolarHBondContact CA-O 3.35Å; G364-N388 PolarHBondContact N-O 2.95Å; N365-N388 PolarHBondContact N-O 3.44Å; N388-S411 PolarHBondContact N-O 3.29Å; N388-N412 WeakPolarHBondContact CA-O 3.39Å; N388-N412 HydrophobicContact CB-CB 4.47Å; N388-N412 PolarHBondContact N-O 2.88Å; N388-N412 WeakPolarHBondContact OD1-CB 3.26Å; N388-N412 PolarHBondContact OD1-ND2 3.04Å; N388-N413 PolarHBondContact N-ND2 3.25Å
389	N	98.6	Very high	95	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.027	20%	0.196	C	C	.	.	S	Bend	trans	-137.5	-178.6	173	-84.6	-77.1	0	0	0	108	V362 N365 M366 I367 L386 L391 N413 P414	V362-N389 PolarHBondContact O-ND2 2.93Å; N365-N389 VanDerWaalsContact CA-OD1 3.25Å; N365-N389 WeakPolarHBondContact CA-OD1 3.3Å; N365-N389 WeakPolarHBondContact CB-OD1 3.35Å; N365-N389 PolarHBondContact N-OD1 3.37Å; N365-N389 PolarHBondContact O-OD1 2.75Å; M366-N389 PolarHBondContact N-OD1 3.26Å; I367-N389 HydrophobicContact CB-CB 4.2Å; I367-N389 VanDerWaalsContact CB-OD1 3.31Å; I367-N389 WeakPolarHBondContact CB-OD1 3.45Å; I367-N389 VanDerWaalsContact CG1-OD1 3.32Å; I367-N389 WeakPolarHBondContact CG1-OD1 3.22Å; I367-N389 PolarHBondContact N-OD1 2.97Å; L386-N389 WeakPolarHBondContact O-CB 3.09Å; L386-N389 PolarHBondContact O-ND2 2.9Å; N389-L391 HydrophobicContact CB-CG 4.49Å; N389-N413 WeakPolarHBondContact CA-OD1 3.41Å; N389-N413 WeakPolarHBondContact CB-OD1 3.49Å; N389-N413 PolarHBondContact N-OD1 2.78Å; N389-N413 WeakPolarHBondContact O-CA 3.18Å; N389-N413 PolarHBondContact O-OD1 3.41Å; N389-P414 WeakPolarHBondContact O-CD 3.22Å
390	D	98.1	Very high	94.8	Very high	72 Å²	72	37.9 Å²	37.9	39%	0.385	20%	0.201	S	C	.	.			trans	-98.3	23.2	-175.8	-64.8	-58.6	0	0	0	113.3	M366 I367 N368 Q392	M366-D390 WeakPolarHBondContact CA-OD2 3.3Å; M366-D390 WeakPolarHBondContact CB-OD2 3.48Å; I367-D390 CarbonylContact O-C 3.3Å; I367-D390 VanDerWaalsContact O-C 3.3Å; I367-D390 WeakPolarHBondContact O-CA 3.49Å; I367-D390 PolarHBondContact O-N 3.2Å; N368-D390 HydrophobicContact CB-CB 4.23Å; D390-Q392 PolarHBondContact O-N 3.14Å
391	L	97.2	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.			trans	-66.5	122.2	-179.4	-58.9	174.5	0	0	0	111.1	I367 L370 L386 N389 L394 L410 N413 P414 W415	I367-L391 HydrophobicContact CG2-CD2 4.11Å; I367-L391 WeakPolarHBondContact O-CD2 3.25Å; I367-L391 PolarHBondContact O-N 3.37Å; I367-L391 VanDerWaalsContact O-N 3.15Å; L370-L391 HydrophobicContact CG-CD2 4.21Å; L386-L391 HydrophobicContact CB-CD1 4.24Å; L386-L391 HydrophobicContact CD2-CD1 4.35Å; N389-L391 HydrophobicContact CB-CG 4.49Å; L391-L394 HydrophobicContact CD1-CD1 4.44Å; L391-L394 HydrophobicContact CD1-CD2 4.37Å; L391-L394 HydrophobicContact CD2-CD2 4.04Å; L391-L410 HydrophobicContact CD1-CD2 4.04Å; L391-N413 HydrophobicContact CB-CB 4.16Å; L391-N413 WeakPolarHBondContact CB-OD1 3.44Å; L391-N413 VanDerWaalsContact CG-OD1 3.29Å; L391-N413 WeakPolarHBondContact CG-OD1 3.37Å; L391-N413 PolarHBondContact N-OD1 3.09Å; L391-N413 VanDerWaalsContact N-OD1 3.13Å; L391-P414 CarbonylContact O-C 3.56Å; L391-P414 VanDerWaalsContact O-CD 3.31Å; L391-P414 WeakPolarHBondContact O-CD 3.29Å; L391-W415 HydrophobicContact CB-CH2 3.67Å; L391-W415 HydrophobicContact CB-CZ2 4.01Å; L391-W415 HydrophobicContact CB-CZ3 4.14Å; L391-W415 HydrophobicContact CD1-CH2 4Å; L391-W415 HydrophobicContact CD1-CZ2 4.27Å; L391-W415 HydrophobicContact CG-CH2 4.49Å
392	Q	96.3	Very high	94.4	Very high	86 Å²	86	34.5 Å²	34.5	40%	0.402	19%	0.194	S	C	.	.			trans	-103.4	-36.3	-179.9	-69.7	173.7	39	0	0	112.2	D390 P414 W415 Q416	D390-Q392 PolarHBondContact O-N 3.14Å; Q392-P414 HydrophobicContact CG-CG 3.95Å; Q392-W415 WeakPolarHBondContact O-CA 3.26Å; Q392-Q416 HydrophobicContact CB-CG 4.11Å; Q392-Q416 HydrophobicContact CG-CG 4.32Å; Q392-Q416 PolarHBondContact O-N 3.34Å
393	T	94.6	Very high	94.1	Very high	51 Å²	51	38.1 Å²	38.1	31%	0.313	22%	0.216	S	C	.	.			trans	-147.3	172.3	168.6	-171.8	0	0	0	0	108.8	N420	T393-N420 PolarHBondContact OG1-O 3.27Å
394	L	94.2	Very high	94	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.063	22%	0.223	C	C	.	.			trans	-136.9	161	170.2	-73.9	178.7	0	0	0	108.9	L370 L391 F399 L410 W415 F424	L370-L394 HydrophobicContact CB-CD2 4.01Å; L370-L394 HydrophobicContact CD1-CD1 4.3Å; L370-L394 HydrophobicContact CD1-CD2 3.67Å; L370-L394 HydrophobicContact CG-CD2 3.81Å; L391-L394 HydrophobicContact CD1-CD1 4.44Å; L391-L394 HydrophobicContact CD1-CD2 4.37Å; L391-L394 HydrophobicContact CD2-CD2 4.04Å; L394-F399 HydrophobicContact CD1-CE2 3.87Å; L394-F399 HydrophobicContact CD1-CZ 3.89Å; L394-L410 HydrophobicContact CD1-CD2 4.2Å; L394-W415 HydrophobicContact CD1-CH2 3.87Å; L394-W415 HydrophobicContact CD1-CZ3 4.43Å; L394-W415 HydrophobicContact CG-CH2 3.92Å; L394-W415 HydrophobicContact CG-CZ3 4.06Å; L394-F424 HydrophobicContact CB-CD1 4.35Å; L394-F424 HydrophobicContact CB-CD2 3.88Å; L394-F424 HydrophobicContact CB-CE2 4.17Å; L394-F424 HydrophobicContact CB-CG 4Å; L394-F424 HydrophobicContact CB-CZ 4.49Å; L394-F424 HydrophobicContact CD1-CD2 4.45Å; L394-F424 HydrophobicContact CD1-CE1 4.4Å; L394-F424 HydrophobicContact CD1-CE2 3.88Å; L394-F424 HydrophobicContact CD1-CZ 3.84Å; L394-F424 WeakPolarHBondContact O-CB 3.48Å
395	S	90.3	Very high	94	Very high	58 Å²	58	40.5 Å²	40.5	41%	0.406	23%	0.225	S	C	.	.			trans	-73.3	150.1	162.4	-172.5	0	0	0	0	109.9	D397 V398	S395-D397 VanDerWaalsContact C-N 3.31Å; S395-D397 WeakPolarHBondContact CB-OD1 3.34Å; S395-D397 PolarHBondContact O-N 3.36Å; S395-D397 PolarHBondContact OG-OD1 3.09Å; S395-V398 WeakPolarHBondContact O-CG1 3.4Å
396	G	80.8	Confident	93.9	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	-67.7	-29.4	176.6	0	0	0	0	0	113.6
397	D	88.8	Confident	93.8	Very high	79 Å²	79	50.6 Å²	50.6	42%	0.422	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-83.2	-14.9	-173	65.2	-11.1	0	0	0	115	S395 F399 D400	S395-D397 VanDerWaalsContact C-N 3.31Å; S395-D397 WeakPolarHBondContact CB-OD1 3.34Å; S395-D397 PolarHBondContact O-N 3.36Å; S395-D397 PolarHBondContact OG-OD1 3.09Å; D397-F399 PolarHBondContact O-N 2.82Å; D397-D400 WeakPolarHBondContact O-CB 3.42Å; D397-D400 PolarHBondContact O-N 3.18Å
398	V	92.5	Very high	93.8	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-59	-12.8	-173.5	73.5	0	0	0	0	114.6	L370 D371 F375 S395	L370-V398 HydrophobicContact CB-CG2 4Å; D371-V398 WeakPolarHBondContact O-CG2 3.43Å; F375-V398 HydrophobicContact CD2-CG2 4.32Å; F375-V398 WeakPolarHBondContact CD2-O 3.09Å; F375-V398 HydrophobicContact CE2-CG2 4.44Å; S395-V398 WeakPolarHBondContact O-CG1 3.4Å
399	F	92.7	Very high	93.8	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.026	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-116.8	5.5	177.6	-56.3	-55.6	0	0	0	114.2	F375 I384 L386 L394 D397 S401 L402 L408 F424 W427	F375-F399 HydrophobicContact CD2-CD1 4.3Å; F375-F399 HydrophobicContact CD2-CE1 4.34Å; F375-F399 HydrophobicContact CE2-CD1 4.35Å; F375-F399 AromaticContact CE2-CE1 3.93Å; F375-F399 HydrophobicContact CE2-CE1 3.93Å; I384-F399 HydrophobicContact CD1-CD1 4.3Å; I384-F399 HydrophobicContact CD1-CE1 4.22Å; L386-F399 HydrophobicContact CD1-CE1 4.48Å; L386-F399 HydrophobicContact CD1-CZ 4.27Å; L394-F399 HydrophobicContact CD1-CE2 3.87Å; L394-F399 HydrophobicContact CD1-CZ 3.89Å; D397-F399 PolarHBondContact O-N 2.82Å; F399-S401 PolarHBondContact O-N 3.27Å; F399-L402 HydrophobicContact CD1-CD1 4.07Å; F399-L402 VanDerWaalsContact O-CB 3.3Å; F399-L402 WeakPolarHBondContact O-CB 3.21Å; F399-L402 PolarHBondContact O-N 3.07Å; F399-L408 HydrophobicContact CD2-CD2 4.13Å; F399-L408 HydrophobicContact CE1-CD1 4.32Å; F399-L408 HydrophobicContact CE1-CD2 4.5Å; F399-L408 HydrophobicContact CE2-CD2 3.73Å; F399-L408 HydrophobicContact CZ-CD1 4.11Å; F399-L408 HydrophobicContact CZ-CD2 3.93Å; F399-F424 HydrophobicContact CE2-CE2 4.15Å; F399-W427 HydrophobicContact CB-CZ2 3.67Å; F399-W427 HydrophobicContact CD2-CD2 4.27Å; F399-W427 AromaticContact CD2-CE2 3.8Å; F399-W427 HydrophobicContact CD2-CE3 4.44Å; F399-W427 AromaticContact CD2-CH2 3.86Å; F399-W427 HydrophobicContact CD2-CH2 3.86Å; F399-W427 AromaticContact CD2-CZ2 3.6Å; F399-W427 HydrophobicContact CD2-CZ2 3.6Å; F399-W427 HydrophobicContact CD2-CZ3 4.27Å; F399-W427 HydrophobicContact CE2-CH2 4.46Å; F399-W427 HydrophobicContact CG-CH2 4.47Å; F399-W427 AromaticContact CG-CZ2 3.96Å; F399-W427 HydrophobicContact CG-CZ2 3.96Å
400	D	89.8	Confident	93.7	Very high	109 Å²	109	48.4 Å²	48.4	58%	0.583	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-28	-170.8	-79.7	-2.5	0	0	0	114	D397 L402	D397-D400 WeakPolarHBondContact O-CB 3.42Å; D397-D400 PolarHBondContact O-N 3.18Å; D400-L402 PolarHBondContact O-N 3.44Å
401	S	90	Very high	93.6	Very high	40 Å²	40	45.8 Å²	45.8	28%	0.28	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22	169.7	67.2	0	0	0	0	112.7	F375 F399 T403	F375-S401 PolarHBondContact O-OG 2.98Å; F399-S401 PolarHBondContact O-N 3.27Å; S401-T403 VanDerWaalsContact C-N 3.26Å; S401-T403 PolarHBondContact O-N 2.91Å
402	L	94.1	Very high	93.6	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	28%	0.275	C	S	.	.			trans	-89.7	54.9	-166.2	-55.9	-175.6	0	0	0	113.2	F375 L378 L381 I384 F399 D400 K404 L405	F375-L402 HydrophobicContact CB-CD1 3.97Å; F375-L402 HydrophobicContact CB-CD2 3.99Å; F375-L402 HydrophobicContact CB-CG 4.09Å; F375-L402 HydrophobicContact CG-CD1 4.12Å; L378-L402 WeakPolarHBondContact O-CD2 3.44Å; L381-L402 HydrophobicContact CB-CD2 4.1Å; L381-L402 HydrophobicContact CD1-CD1 4.46Å; L381-L402 HydrophobicContact CD1-CD2 4.26Å; I384-L402 HydrophobicContact CD1-CD1 3.37Å; F399-L402 HydrophobicContact CD1-CD1 4.07Å; F399-L402 VanDerWaalsContact O-CB 3.3Å; F399-L402 WeakPolarHBondContact O-CB 3.21Å; F399-L402 PolarHBondContact O-N 3.07Å; D400-L402 PolarHBondContact O-N 3.44Å; L402-K404 PolarHBondContact O-N 3.48Å; L402-L405 HydrophobicContact CB-CB 3.96Å; L402-L405 HydrophobicContact CB-CD2 4.47Å; L402-L405 HydrophobicContact CD1-CD2 4.42Å; L402-L405 WeakPolarHBondContact O-CB 3.42Å; L402-L405 PolarHBondContact O-N 3.01Å
403	T	92.1	Very high	93.7	Very high	115 Å²	115	47.8 Å²	47.8	71%	0.706	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-19.7	175.5	57.4	0	0	0	0	115	S401	S401-T403 VanDerWaalsContact C-N 3.26Å; S401-T403 PolarHBondContact O-N 2.91Å
404	K	95.8	Very high	93.8	Very high	65 Å²	65	46.7 Å²	46.7	28%	0.283	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	2.3	-179.1	-49.8	-171.5	-161.7	82.1	0	113.9	E379 Y380 L381 L402	E379-K404 VanDerWaalsContact CB-NZ 3.26Å; E379-K404 VanDerWaalsContact O-CD 3.28Å; E379-K404 WeakPolarHBondContact O-CD 3.34Å; E379-K404 VanDerWaalsContact O-CG 3.23Å; E379-K404 WeakPolarHBondContact O-CG 3.36Å; E379-K404 PolarHBondContact O-NZ 3.03Å; E379-K404 IonicContact OE2-NZ 3.18Å; E379-K404 PolarHBondContact OE2-NZ 3.45Å; Y380-K404 HydrophobicContact CD1-CD 4.34Å; L381-K404 CarbonylContact O-C 3.46Å; L402-K404 PolarHBondContact O-N 3.48Å
405	L	96	Very high	93.9	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	25%	0.249	C	C	.	.			trans	-65	130.2	-179	-172.5	64.2	0	0	0	112.1	L381 I384 L402 K407 L408 K434	L381-L405 PolarHBondContact O-N 3.11Å; I384-L405 HydrophobicContact CB-CD1 4.45Å; I384-L405 HydrophobicContact CD1-CD1 4.17Å; I384-L405 HydrophobicContact CG1-CD1 3.98Å; L402-L405 HydrophobicContact CB-CB 3.96Å; L402-L405 HydrophobicContact CB-CD2 4.47Å; L402-L405 HydrophobicContact CD1-CD2 4.42Å; L402-L405 WeakPolarHBondContact O-CB 3.42Å; L402-L405 PolarHBondContact O-N 3.01Å; L405-K407 WeakPolarHBondContact CD1-O 3.32Å; L405-L408 HydrophobicContact CD2-CB 4.45Å; L405-K434 HydrophobicContact CD2-CD 4.48Å; L405-K434 HydrophobicContact CG-CD 4.4Å; L405-K434 WeakPolarHBondContact O-CE 3.43Å
406	K	96	Very high	94.3	Very high	148 Å²	148	46.8 Å²	46.8	64%	0.643	25%	0.246	S	C	*	.			trans	-129.9	-19.5	-177.4	-66.9	172.9	-172.9	179.5	0	113.8	T382	T382-K406 PolarHBondContact O-N 3.28Å
407	K	97	Very high	95	Very high	115 Å²	115	46.2 Å²	46.2	50%	0.5	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	123.4	-179.6	-67.3	-168.1	174.6	-165	0	109.7	T382 T383 I384 L405 K434	T382-K407 PolarHBondContact O-N 2.95Å; T383-K407 CarbonylContact C-O 3.55Å; T383-K407 VanDerWaalsContact CA-O 3.28Å; T383-K407 WeakPolarHBondContact CA-O 3.48Å; T383-K407 HydrophobicContact CG2-CB 4.09Å; I384-K407 PolarHBondContact N-O 3.31Å; L405-K407 WeakPolarHBondContact CD1-O 3.32Å; K407-K434 CarbonylContact C-O 3.39Å; K407-K434 VanDerWaalsContact CA-O 3.31Å; K407-K434 WeakPolarHBondContact CA-O 3.22Å
408	L	97	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.7	173.8	177.5	59.3	0	0	0	107.7	I384 L386 F399 L405 L410 W427 K434 L435 T436	I384-L408 HydrophobicContact CB-CD1 3.73Å; I384-L408 HydrophobicContact CG2-CD1 3.69Å; I384-L408 WeakPolarHBondContact O-CA 3.46Å; L386-L408 HydrophobicContact CD1-CD1 4.23Å; F399-L408 HydrophobicContact CD2-CD2 4.13Å; F399-L408 HydrophobicContact CE1-CD1 4.32Å; F399-L408 HydrophobicContact CE1-CD2 4.5Å; F399-L408 HydrophobicContact CE2-CD2 3.73Å; F399-L408 HydrophobicContact CZ-CD1 4.11Å; F399-L408 HydrophobicContact CZ-CD2 3.93Å; L405-L408 HydrophobicContact CD2-CB 4.45Å; L408-L410 HydrophobicContact CD1-CD1 4.22Å; L408-L410 HydrophobicContact CD1-CD2 4.38Å; L408-L410 HydrophobicContact CD1-CG 4.01Å; L408-L410 HydrophobicContact CD2-CD1 3.53Å; L408-L410 HydrophobicContact CD2-CG 4.23Å; L408-L410 HydrophobicContact CG-CD1 3.63Å; L408-L410 HydrophobicContact CG-CG 3.82Å; L408-W427 HydrophobicContact CD2-CH2 3.44Å; L408-W427 VanDerWaalsContact CD2-CH2 3.44Å; L408-W427 HydrophobicContact CD2-CZ2 4.47Å; L408-W427 HydrophobicContact CD2-CZ3 3.72Å; L408-K434 PolarHBondContact N-O 3.43Å; L408-L435 HydrophobicContact CB-CD2 4.49Å; L408-L435 HydrophobicContact CD2-CD2 4.24Å; L408-L435 HydrophobicContact CG-CD2 4.37Å; L408-L435 WeakPolarHBondContact O-CA 3.34Å; L408-T436 PolarHBondContact O-N 3.17Å
409	D	97.7	Very high	95.4	Very high	33 Å²	33	46 Å²	46	18%	0.176	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.3	174.2	-170.7	-6.8	0	0	0	109.4	I384 K385 L386 A387 S411 T436 P437	I384-D409 PolarHBondContact O-N 2.91Å; K385-D409 HydrophobicContact CG-CB 4.3Å; L386-D409 CarbonylContact C-O 3.31Å; L386-D409 WeakPolarHBondContact CA-O 3.39Å; L386-D409 PolarHBondContact N-O 3.02Å; A387-D409 WeakPolarHBondContact CB-OD1 3.32Å; A387-D409 PolarHBondContact N-O 2.77Å; D409-S411 WeakPolarHBondContact OD1-CB 3.36Å; D409-S411 PolarHBondContact OD1-N 2.59Å; D409-S411 PolarHBondContact OD1-OG 2.89Å; D409-T436 WeakPolarHBondContact CA-O 3.13Å; D409-T436 VanDerWaalsContact CB-O 3.25Å; D409-T436 WeakPolarHBondContact CB-O 3.33Å; D409-T436 VanDerWaalsContact CG-O 3.24Å; D409-P437 WeakPolarHBondContact OD1-CD 3.47Å
410	L	96.9	Very high	95.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.267	C	S	.	.			trans	-124.4	14.6	-177.8	-74	161.7	0	0	0	111.3	L386 L391 L394 L408 N413 W415 F424 L435 V439	L386-L410 HydrophobicContact CB-CD2 3.89Å; L386-L410 HydrophobicContact CD1-CD2 3.91Å; L391-L410 HydrophobicContact CD1-CD2 4.04Å; L394-L410 HydrophobicContact CD1-CD2 4.2Å; L408-L410 HydrophobicContact CD1-CD1 4.22Å; L408-L410 HydrophobicContact CD1-CD2 4.38Å; L408-L410 HydrophobicContact CD1-CG 4.01Å; L408-L410 HydrophobicContact CD2-CD1 3.53Å; L408-L410 HydrophobicContact CD2-CG 4.23Å; L408-L410 HydrophobicContact CG-CD1 3.63Å; L408-L410 HydrophobicContact CG-CG 3.82Å; L410-N413 PolarHBondContact O-ND2 3.13Å; L410-W415 HydrophobicContact CB-CZ2 3.97Å; L410-W415 HydrophobicContact CD2-CH2 4.05Å; L410-W415 HydrophobicContact CD2-CZ2 3.78Å; L410-W415 HydrophobicContact CG-CZ2 4.33Å; L410-W415 PolarHBondContact O-NE1 3.24Å; L410-F424 HydrophobicContact CD1-CZ 3.72Å; L410-L435 HydrophobicContact CD1-CD2 3.89Å; L410-V439 HydrophobicContact CB-CG2 3.89Å; L410-V439 HydrophobicContact CD1-CG2 4.49Å
411	S	96.2	Very high	95.7	Very high	18 Å²	18	45.4 Å²	45.4	13%	0.126	24%	0.239	C	C	.	.			trans	-63.1	156.9	-177	57.3	0	0	0	0	112.5	A387 N388 D409 N413	A387-S411 CarbonylContact C-O 3.46Å; A387-S411 WeakPolarHBondContact CA-O 3.28Å; A387-S411 WeakPolarHBondContact CB-O 3.41Å; A387-S411 VanDerWaalsContact CB-OG 3.31Å; A387-S411 WeakPolarHBondContact CB-OG 3.49Å; N388-S411 PolarHBondContact N-O 3.29Å; D409-S411 WeakPolarHBondContact OD1-CB 3.36Å; D409-S411 PolarHBondContact OD1-N 2.59Å; D409-S411 PolarHBondContact OD1-OG 2.89Å; S411-N413 VanDerWaalsContact C-N 3.3Å; S411-N413 PolarHBondContact O-N 3.22Å; S411-N413 PolarHBondContact O-ND2 3.44Å
412	N	96.1	Very high	95.9	Very high	119 Å²	119	45.7 Å²	45.7	64%	0.636	24%	0.236	S	C	*	.	S	Bend	trans	52.6	44.7	176.1	-50.6	-9.2	0	0	0	113.3	N388	N388-N412 WeakPolarHBondContact CA-O 3.39Å; N388-N412 HydrophobicContact CB-CB 4.47Å; N388-N412 PolarHBondContact N-O 2.88Å; N388-N412 WeakPolarHBondContact OD1-CB 3.26Å; N388-N412 PolarHBondContact OD1-ND2 3.04Å
413	N	98.1	Very high	95.8	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.043	26%	0.264	C	S	.	.			trans	-115.3	147.3	169.1	-82.6	-101.3	0	0	0	108	L386 N388 N389 L391 L410 S411 W415	L386-N413 PolarHBondContact O-ND2 3.2Å; N388-N413 PolarHBondContact N-ND2 3.25Å; N389-N413 WeakPolarHBondContact CA-OD1 3.41Å; N389-N413 WeakPolarHBondContact CB-OD1 3.49Å; N389-N413 PolarHBondContact N-OD1 2.78Å; N389-N413 WeakPolarHBondContact O-CA 3.18Å; N389-N413 PolarHBondContact O-OD1 3.41Å; L391-N413 HydrophobicContact CB-CB 4.16Å; L391-N413 WeakPolarHBondContact CB-OD1 3.44Å; L391-N413 VanDerWaalsContact CG-OD1 3.29Å; L391-N413 WeakPolarHBondContact CG-OD1 3.37Å; L391-N413 PolarHBondContact N-OD1 3.09Å; L391-N413 VanDerWaalsContact N-OD1 3.13Å; L410-N413 PolarHBondContact O-ND2 3.13Å; S411-N413 VanDerWaalsContact C-N 3.3Å; S411-N413 PolarHBondContact O-N 3.22Å; S411-N413 PolarHBondContact O-ND2 3.44Å; N413-W415 HydrophobicContact CB-CD2 4.46Å; N413-W415 HydrophobicContact CB-CZ2 3.86Å; N413-W415 PolarHBondContact O-N 2.68Å
414	P	97.5	Very high	95.9	Very high	29 Å²	29	45.3 Å²	45.3	19%	0.188	23%	0.23	C	C	.	.			trans	-78.1	56.7	-173.3	33.9	-38.7	0	0	0	113.1	N389 L391 Q392 Q416 E442	N389-P414 WeakPolarHBondContact O-CD 3.22Å; L391-P414 CarbonylContact O-C 3.56Å; L391-P414 VanDerWaalsContact O-CD 3.31Å; L391-P414 WeakPolarHBondContact O-CD 3.29Å; Q392-P414 HydrophobicContact CG-CG 3.95Å; P414-Q416 PolarHBondContact O-N 3.17Å; P414-E442 HydrophobicContact CB-CG 4.47Å
415	W	97.4	Very high	95.9	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	22%	0.219	C	C	.	.			trans	-55.5	121.9	-176.3	-61.9	105	0	0	0	112.2	L391 Q392 L394 L410 N413 L421 F424 V439 E442 Y443 I452	L391-W415 HydrophobicContact CB-CH2 3.67Å; L391-W415 HydrophobicContact CB-CZ2 4.01Å; L391-W415 HydrophobicContact CB-CZ3 4.14Å; L391-W415 HydrophobicContact CD1-CH2 4Å; L391-W415 HydrophobicContact CD1-CZ2 4.27Å; L391-W415 HydrophobicContact CG-CH2 4.49Å; Q392-W415 WeakPolarHBondContact O-CA 3.26Å; L394-W415 HydrophobicContact CD1-CH2 3.87Å; L394-W415 HydrophobicContact CD1-CZ3 4.43Å; L394-W415 HydrophobicContact CG-CH2 3.92Å; L394-W415 HydrophobicContact CG-CZ3 4.06Å; L410-W415 HydrophobicContact CB-CZ2 3.97Å; L410-W415 HydrophobicContact CD2-CH2 4.05Å; L410-W415 HydrophobicContact CD2-CZ2 3.78Å; L410-W415 HydrophobicContact CG-CZ2 4.33Å; L410-W415 PolarHBondContact O-NE1 3.24Å; N413-W415 HydrophobicContact CB-CD2 4.46Å; N413-W415 HydrophobicContact CB-CZ2 3.86Å; N413-W415 PolarHBondContact O-N 2.68Å; W415-L421 HydrophobicContact CE3-CD1 4.09Å; W415-F424 HydrophobicContact CE3-CD1 4.24Å; W415-F424 AromaticContact CE3-CE1 3.91Å; W415-F424 HydrophobicContact CE3-CE1 3.91Å; W415-F424 HydrophobicContact CH2-CD1 4.48Å; W415-F424 AromaticContact CH2-CE1 3.63Å; W415-F424 HydrophobicContact CH2-CE1 3.63Å; W415-F424 HydrophobicContact CH2-CZ 4.09Å; W415-F424 HydrophobicContact CZ2-CE1 4.28Å; W415-F424 AromaticContact CZ3-CD1 3.85Å; W415-F424 HydrophobicContact CZ3-CD1 3.85Å; W415-F424 AromaticContact CZ3-CE1 3.41Å; W415-F424 HydrophobicContact CZ3-CE1 3.41Å; W415-F424 VanDerWaalsContact CZ3-CE1 3.41Å; W415-F424 HydrophobicContact CZ3-CZ 4.27Å; W415-V439 HydrophobicContact CD2-CG1 4.26Å; W415-V439 HydrophobicContact CG-CG1 4.03Å; W415-E442 PolarHBondContact O-N 2.91Å; W415-Y443 PolarHBondContact O-N 2.93Å; W415-Y443 VanDerWaalsContact O-N 3.08Å; W415-I452 HydrophobicContact CB-CD1 4.23Å; W415-I452 HydrophobicContact CG-CD1 4.18Å
416	Q	96.8	Very high	95.8	Very high	70 Å²	70	46.4 Å²	46.4	33%	0.327	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-93.6	103.5	173.4	-65.5	-147.8	61.3	0	0	109.1	Q392 P414 D418 Y443	Q392-Q416 HydrophobicContact CB-CG 4.11Å; Q392-Q416 HydrophobicContact CG-CG 4.32Å; Q392-Q416 PolarHBondContact O-N 3.34Å; P414-Q416 PolarHBondContact O-N 3.17Å; Q416-D418 PolarHBondContact O-N 3.49Å; Q416-Y443 HydrophobicContact CG-CD2 4.38Å
417	C	96.6	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.			trans	-82.9	63	177	-65.5	0	0	0	0	111.4	L421 C441 Y443 P444 L447 L455 L460	C417-L421 HydrophobicContact CB-CD2 4.07Å; C417-L421 VanDerWaalsContact SG-CD2 3.51Å; C417-C441 HydrophobicContact CB-CB 3.81Å; C417-C441 WeakPolarHBondContact CB-SG 3.3Å; C417-C441 WeakPolarHBondContact SG-CB 3.31Å; C417-C441 CovalentContact SG-SG 2.03Å; C417-C441 PolarHBondContact SG-SG 3.03Å; C417-Y443 WeakPolarHBondContact CB-O 3.07Å; C417-Y443 PolarHBondContact N-O 3.22Å; C417-P444 VanDerWaalsContact O-CD 3.32Å; C417-P444 WeakPolarHBondContact O-CD 3.36Å; C417-L447 HydrophobicContact CB-CB 4.5Å; C417-L447 HydrophobicContact CB-CD1 3.84Å; C417-L447 WeakPolarHBondContact O-CD1 3.44Å; C417-L455 HydrophobicContact CB-CD1 4.14Å; C417-L460 HydrophobicContact CB-CD2 3.82Å
418	D	95.4	Very high	95.6	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.139	19%	0.185	C	C	.	.	S	Bend	trans	-113.3	-168.2	167.9	79	0.2	0	0	0	110.8	Q416 N420 L421 C462	Q416-D418 PolarHBondContact O-N 3.49Å; D418-N420 VanDerWaalsContact CG-ND2 3.25Å; D418-N420 PolarHBondContact O-N 2.73Å; D418-N420 VanDerWaalsContact O-N 3.16Å; D418-N420 VanDerWaalsContact OD1-CB 3.26Å; D418-N420 WeakPolarHBondContact OD1-CB 3.44Å; D418-N420 PolarHBondContact OD1-N 2.92Å; D418-N420 PolarHBondContact OD1-ND2 3.47Å; D418-N420 PolarHBondContact OD2-ND2 2.89Å; D418-L421 WeakPolarHBondContact O-CB 3.33Å; D418-L421 PolarHBondContact O-N 2.86Å; D418-L421 VanDerWaalsContact O-N 3.07Å; D418-C462 VanDerWaalsContact CG-SG 3.59Å; D418-C462 PolarHBondContact OD2-SG 2.81Å
419	C	94.1	Very high	95.4	Very high	52 Å²	52	38.8 Å²	38.8	35%	0.351	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-64.1	-18.1	-177.5	78	0	0	0	0	114.3	L421 I422 L460 C462	C419-L421 PolarHBondContact O-N 3.47Å; C419-I422 HydrophobicContact CB-CD1 4.03Å; C419-I422 WeakPolarHBondContact O-CD1 3.42Å; C419-I422 WeakPolarHBondContact O-CG1 3.29Å; C419-I422 PolarHBondContact O-N 2.93Å; C419-L460 WeakPolarHBondContact CA-O 3.32Å; C419-L460 VanDerWaalsContact CB-O 3.29Å; C419-L460 WeakPolarHBondContact CB-O 3.43Å; C419-L460 PolarHBondContact N-O 3Å; C419-C462 VanDerWaalsContact CA-SG 3.57Å; C419-C462 HydrophobicContact CB-CB 4Å; C419-C462 WeakPolarHBondContact CB-SG 3.09Å; C419-C462 PolarHBondContact N-SG 2.97Å; C419-C462 WeakPolarHBondContact SG-CB 3.29Å; C419-C462 CovalentContact SG-SG 2.03Å; C419-C462 PolarHBondContact SG-SG 2.91Å
420	N	94.3	Very high	95.2	Very high	103 Å²	103	42.6 Å²	42.6	55%	0.551	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-76.9	-2.7	175.7	-52.1	-76.9	0	0	0	112.7	T393 D418 C462	T393-N420 PolarHBondContact OG1-O 3.27Å; D418-N420 VanDerWaalsContact CG-ND2 3.25Å; D418-N420 PolarHBondContact O-N 2.73Å; D418-N420 VanDerWaalsContact O-N 3.16Å; D418-N420 VanDerWaalsContact OD1-CB 3.26Å; D418-N420 WeakPolarHBondContact OD1-CB 3.44Å; D418-N420 PolarHBondContact OD1-N 2.92Å; D418-N420 PolarHBondContact OD1-ND2 3.47Å; D418-N420 PolarHBondContact OD2-ND2 2.89Å; N420-C462 PolarHBondContact ND2-SG 2.99Å; N420-C462 VanDerWaalsContact ND2-SG 3.36Å
421	L	95.6	Very high	95	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-97.1	-8.2	176.4	-157.7	69.5	0	0	0	113.3	W415 C417 D418 C419 D423 F424 Y425 I452 L460	W415-L421 HydrophobicContact CE3-CD1 4.09Å; C417-L421 HydrophobicContact CB-CD2 4.07Å; C417-L421 VanDerWaalsContact SG-CD2 3.51Å; D418-L421 WeakPolarHBondContact O-CB 3.33Å; D418-L421 PolarHBondContact O-N 2.86Å; D418-L421 VanDerWaalsContact O-N 3.07Å; C419-L421 PolarHBondContact O-N 3.47Å; L421-D423 PolarHBondContact O-N 3.23Å; L421-F424 HydrophobicContact CD1-CB 4.42Å; L421-F424 HydrophobicContact CD1-CD1 3.86Å; L421-F424 CarbonylContact O-C 3.58Å; L421-F424 PolarHBondContact O-N 2.9Å; L421-F424 VanDerWaalsContact O-N 3.11Å; L421-Y425 WeakPolarHBondContact O-CB 3.39Å; L421-Y425 PolarHBondContact O-N 2.79Å; L421-I452 HydrophobicContact CD2-CD1 4.21Å; L421-I452 HydrophobicContact CD2-CG2 4.32Å; L421-L460 HydrophobicContact CD2-CD2 4.49Å
422	I	94.1	Very high	94.8	Very high	45 Å²	45	44 Å²	44	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-56.4	-48.4	-166.9	-70.9	171.6	0	0	0	112.8	C419 F424 Y425 H426 L460	C419-I422 HydrophobicContact CB-CD1 4.03Å; C419-I422 WeakPolarHBondContact O-CD1 3.42Å; C419-I422 WeakPolarHBondContact O-CG1 3.29Å; C419-I422 PolarHBondContact O-N 2.93Å; I422-F424 VanDerWaalsContact C-N 3.32Å; I422-F424 PolarHBondContact O-N 3.28Å; I422-Y425 WeakPolarHBondContact O-CB 3.31Å; I422-Y425 PolarHBondContact O-N 3.48Å; I422-H426 WeakPolarHBondContact CG2-NE2 3.32Å; I422-H426 PolarHBondContact O-CD2 3.1Å; I422-H426 PolarHBondContact O-N 3.24Å; I422-L460 HydrophobicContact CG1-CB 4.01Å; I422-L460 HydrophobicContact CG1-CD1 4.03Å
423	D	92	Very high	94.7	Very high	110 Å²	110	44.5 Å²	44.5	59%	0.588	24%	0.239	S	C	*	.	H	α-helix	trans	-59.2	-43	178.4	-63.4	-45.1	0	0	0	112.2	L421 H426 W427	L421-D423 PolarHBondContact O-N 3.23Å; D423-H426 PolarHBondContact O-N 3.2Å; D423-W427 PolarHBondContact O-N 2.83Å; D423-W427 VanDerWaalsContact O-N 3.12Å
424	F	93.9	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-32.2	178.6	-173.5	-128.7	0	0	0	112.9	L394 F399 L410 W415 L421 I422 W427 I428	L394-F424 HydrophobicContact CB-CD1 4.35Å; L394-F424 HydrophobicContact CB-CD2 3.88Å; L394-F424 HydrophobicContact CB-CE2 4.17Å; L394-F424 HydrophobicContact CB-CG 4Å; L394-F424 HydrophobicContact CB-CZ 4.49Å; L394-F424 HydrophobicContact CD1-CD2 4.45Å; L394-F424 HydrophobicContact CD1-CE1 4.4Å; L394-F424 HydrophobicContact CD1-CE2 3.88Å; L394-F424 HydrophobicContact CD1-CZ 3.84Å; L394-F424 WeakPolarHBondContact O-CB 3.48Å; F399-F424 HydrophobicContact CE2-CE2 4.15Å; L410-F424 HydrophobicContact CD1-CZ 3.72Å; W415-F424 HydrophobicContact CE3-CD1 4.24Å; W415-F424 AromaticContact CE3-CE1 3.91Å; W415-F424 HydrophobicContact CE3-CE1 3.91Å; W415-F424 HydrophobicContact CH2-CD1 4.48Å; W415-F424 AromaticContact CH2-CE1 3.63Å; W415-F424 HydrophobicContact CH2-CE1 3.63Å; W415-F424 HydrophobicContact CH2-CZ 4.09Å; W415-F424 HydrophobicContact CZ2-CE1 4.28Å; W415-F424 AromaticContact CZ3-CD1 3.85Å; W415-F424 HydrophobicContact CZ3-CD1 3.85Å; W415-F424 AromaticContact CZ3-CE1 3.41Å; W415-F424 HydrophobicContact CZ3-CE1 3.41Å; W415-F424 VanDerWaalsContact CZ3-CE1 3.41Å; W415-F424 HydrophobicContact CZ3-CZ 4.27Å; L421-F424 HydrophobicContact CD1-CB 4.42Å; L421-F424 HydrophobicContact CD1-CD1 3.86Å; L421-F424 CarbonylContact O-C 3.58Å; L421-F424 PolarHBondContact O-N 2.9Å; L421-F424 VanDerWaalsContact O-N 3.11Å; I422-F424 VanDerWaalsContact C-N 3.32Å; I422-F424 PolarHBondContact O-N 3.28Å; F424-W427 HydrophobicContact CD2-CB 4.46Å; F424-W427 HydrophobicContact CD2-CE3 4.36Å; F424-W427 AromaticContact CE2-CE3 3.88Å; F424-W427 HydrophobicContact CE2-CE3 3.88Å; F424-W427 HydrophobicContact CE2-CZ3 4.38Å; F424-W427 PolarHBondContact O-N 3.28Å; F424-I428 HydrophobicContact CD1-CD1 3.89Å; F424-I428 HydrophobicContact CD1-CG1 4.45Å; F424-I428 HydrophobicContact CD2-CG1 4.45Å; F424-I428 HydrophobicContact CE1-CD1 3.42Å; F424-I428 VanDerWaalsContact CE1-CD1 3.42Å; F424-I428 HydrophobicContact CE1-CG1 4.11Å; F424-I428 HydrophobicContact CE2-CD1 4.28Å; F424-I428 HydrophobicContact CE2-CG1 4.07Å; F424-I428 HydrophobicContact CZ-CD1 3.63Å; F424-I428 HydrophobicContact CZ-CG1 3.89Å; F424-I428 WeakPolarHBondContact O-CB 3.25Å; F424-I428 WeakPolarHBondContact O-CG1 3.15Å; F424-I428 PolarHBondContact O-N 3.05Å
425	Y	95.1	Very high	94.4	Very high	15 Å²	15	45.2 Å²	45.2	6%	0.059	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-43.7	172	156.9	-93.1	0	0	0	111.1	L421 I422 W427 I428 K429 I452 L455 E457 L460	L421-Y425 WeakPolarHBondContact O-CB 3.39Å; L421-Y425 PolarHBondContact O-N 2.79Å; I422-Y425 WeakPolarHBondContact O-CB 3.31Å; I422-Y425 PolarHBondContact O-N 3.48Å; Y425-W427 VanDerWaalsContact C-N 3.35Å; Y425-W427 PolarHBondContact O-N 2.79Å; Y425-I428 PolarHBondContact O-N 2.81Å; Y425-K429 HydrophobicContact CD2-CG 4.42Å; Y425-K429 HydrophobicContact CE2-CD 4.31Å; Y425-K429 HydrophobicContact CE2-CG 4.2Å; Y425-K429 VanDerWaalsContact O-CG 3.25Å; Y425-K429 WeakPolarHBondContact O-CG 3.14Å; Y425-K429 PolarHBondContact O-N 2.79Å; Y425-K429 VanDerWaalsContact OH-CE 3.3Å; Y425-K429 WeakPolarHBondContact OH-CE 3.22Å; Y425-I452 HydrophobicContact CD2-CG2 4.12Å; Y425-L455 HydrophobicContact CE2-CB 4.24Å; Y425-L455 WeakPolarHBondContact CE2-O 3.29Å; Y425-L455 PolarHBondContact OH-O 3.26Å; Y425-E457 HydrophobicContact CE1-CB 3.97Å; Y425-E457 HydrophobicContact CE1-CG 4.23Å; Y425-E457 PolarHBondContact OH-N 2.9Å; Y425-L460 HydrophobicContact CD1-CD1 3.85Å; Y425-L460 HydrophobicContact CD2-CD1 3.84Å; Y425-L460 HydrophobicContact CE1-CD1 4.39Å; Y425-L460 HydrophobicContact CE2-CD1 4.36Å; Y425-L460 HydrophobicContact CG-CD1 3.55Å
426	H	94.1	Very high	94	Very high	81 Å²	81	48.6 Å²	48.6	38%	0.375	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-42.8	172.2	-65.7	-52.3	0	0	0	112.1	I422 D423 K429 T430 E457	I422-H426 WeakPolarHBondContact CG2-NE2 3.32Å; I422-H426 PolarHBondContact O-CD2 3.1Å; I422-H426 PolarHBondContact O-N 3.24Å; D423-H426 PolarHBondContact O-N 3.2Å; H426-K429 PolarHBondContact O-N 3.32Å; H426-T430 PolarHBondContact O-N 2.98Å; H426-T430 PolarHBondContact O-OG1 3.08Å; H426-E457 IonicContact CE1-OE2 2.68Å; H426-E457 PolarHBondContact CE1-OE2 3.2Å; H426-E457 VanDerWaalsContact CE1-OE2 3.27Å
427	W	94	Very high	93.8	Very high	21 Å²	21	48.4 Å²	48.4	8%	0.08	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-46.8	174.3	-172.2	96.8	0	0	0	111.6	F399 L408 D423 F424 Y425 K429 T430 N431 L435	F399-W427 HydrophobicContact CB-CZ2 3.67Å; F399-W427 HydrophobicContact CD2-CD2 4.27Å; F399-W427 AromaticContact CD2-CE2 3.8Å; F399-W427 HydrophobicContact CD2-CE3 4.44Å; F399-W427 AromaticContact CD2-CH2 3.86Å; F399-W427 HydrophobicContact CD2-CH2 3.86Å; F399-W427 AromaticContact CD2-CZ2 3.6Å; F399-W427 HydrophobicContact CD2-CZ2 3.6Å; F399-W427 HydrophobicContact CD2-CZ3 4.27Å; F399-W427 HydrophobicContact CE2-CH2 4.46Å; F399-W427 HydrophobicContact CG-CH2 4.47Å; F399-W427 AromaticContact CG-CZ2 3.96Å; F399-W427 HydrophobicContact CG-CZ2 3.96Å; L408-W427 HydrophobicContact CD2-CH2 3.44Å; L408-W427 VanDerWaalsContact CD2-CH2 3.44Å; L408-W427 HydrophobicContact CD2-CZ2 4.47Å; L408-W427 HydrophobicContact CD2-CZ3 3.72Å; D423-W427 PolarHBondContact O-N 2.83Å; D423-W427 VanDerWaalsContact O-N 3.12Å; F424-W427 HydrophobicContact CD2-CB 4.46Å; F424-W427 HydrophobicContact CD2-CE3 4.36Å; F424-W427 AromaticContact CE2-CE3 3.88Å; F424-W427 HydrophobicContact CE2-CE3 3.88Å; F424-W427 HydrophobicContact CE2-CZ3 4.38Å; F424-W427 PolarHBondContact O-N 3.28Å; Y425-W427 VanDerWaalsContact C-N 3.35Å; Y425-W427 PolarHBondContact O-N 2.79Å; W427-K429 PolarHBondContact O-N 2.85Å; W427-T430 PolarHBondContact O-N 3.07Å; W427-N431 HydrophobicContact CD2-CB 4.1Å; W427-N431 VanDerWaalsContact CE2-ND2 3.35Å; W427-N431 HydrophobicContact CE3-CB 3.95Å; W427-N431 HydrophobicContact CH2-CB 3.63Å; W427-N431 HydrophobicContact CZ2-CB 3.83Å; W427-N431 HydrophobicContact CZ3-CB 3.71Å; W427-N431 PolarHBondContact NE1-ND2 2.81Å; W427-N431 WeakPolarHBondContact O-CB 3.46Å; W427-N431 PolarHBondContact O-N 3.09Å; W427-N431 PolarHBondContact O-ND2 3.13Å; W427-L435 HydrophobicContact CZ3-CD2 4.46Å
428	I	94.1	Very high	93.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-44.7	178.3	-84.3	-175.5	0	0	0	111.6	F424 Y425 T430 N431 A432 L435 I452 T453	F424-I428 HydrophobicContact CD1-CD1 3.89Å; F424-I428 HydrophobicContact CD1-CG1 4.45Å; F424-I428 HydrophobicContact CD2-CG1 4.45Å; F424-I428 HydrophobicContact CE1-CD1 3.42Å; F424-I428 VanDerWaalsContact CE1-CD1 3.42Å; F424-I428 HydrophobicContact CE1-CG1 4.11Å; F424-I428 HydrophobicContact CE2-CD1 4.28Å; F424-I428 HydrophobicContact CE2-CG1 4.07Å; F424-I428 HydrophobicContact CZ-CD1 3.63Å; F424-I428 HydrophobicContact CZ-CG1 3.89Å; F424-I428 WeakPolarHBondContact O-CB 3.25Å; F424-I428 WeakPolarHBondContact O-CG1 3.15Å; F424-I428 PolarHBondContact O-N 3.05Å; Y425-I428 PolarHBondContact O-N 2.81Å; I428-T430 PolarHBondContact O-N 3.12Å; I428-N431 CarbonylContact O-C 3.2Å; I428-N431 PolarHBondContact O-N 3.12Å; I428-A432 WeakPolarHBondContact O-CA 3.43Å; I428-A432 WeakPolarHBondContact O-CB 3.16Å; I428-A432 PolarHBondContact O-N 3.29Å; I428-L435 HydrophobicContact CG1-CD1 4.21Å; I428-L435 HydrophobicContact CG2-CD1 4.1Å; I428-I452 HydrophobicContact CD1-CB 4.4Å; I428-I452 HydrophobicContact CD1-CD1 4.17Å; I428-I452 HydrophobicContact CD1-CG2 4.07Å; I428-I452 HydrophobicContact CG2-CB 4.45Å; I428-I452 HydrophobicContact CG2-CG2 4.12Å; I428-T453 HydrophobicContact CG2-CG2 3.64Å
429	K	93	Very high	93.6	Very high	82 Å²	82	50.9 Å²	50.9	36%	0.357	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-38.3	177.1	-71	-82.1	-174.1	169.3	0	111.6	Y425 H426 W427 T453 L455	Y425-K429 HydrophobicContact CD2-CG 4.42Å; Y425-K429 HydrophobicContact CE2-CD 4.31Å; Y425-K429 HydrophobicContact CE2-CG 4.2Å; Y425-K429 VanDerWaalsContact O-CG 3.25Å; Y425-K429 WeakPolarHBondContact O-CG 3.14Å; Y425-K429 PolarHBondContact O-N 2.79Å; Y425-K429 VanDerWaalsContact OH-CE 3.3Å; Y425-K429 WeakPolarHBondContact OH-CE 3.22Å; H426-K429 PolarHBondContact O-N 3.32Å; W427-K429 PolarHBondContact O-N 2.85Å; K429-T453 WeakPolarHBondContact CE-O 3.5Å; K429-T453 PolarHBondContact NZ-O 3Å; K429-L455 WeakPolarHBondContact CE-O 3.15Å; K429-L455 PolarHBondContact NZ-O 3.36Å
430	T	93.3	Very high	93.7	Very high	114 Å²	114	52.7 Å²	52.7	70%	0.699	28%	0.278	S	S	*	.	H	α-helix	trans	-78.9	-28.6	-179.1	-52	0	0	0	0	113	H426 W427 I428	H426-T430 PolarHBondContact O-N 2.98Å; H426-T430 PolarHBondContact O-OG1 3.08Å; W427-T430 PolarHBondContact O-N 3.07Å; I428-T430 PolarHBondContact O-N 3.12Å
431	N	93.8	Very high	93.9	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.107	25%	0.252	C	S	.	.	S	Bend	trans	-115.2	21.6	-172.2	-66.9	-87.3	0	0	0	113.5	W427 I428 D433 K434	W427-N431 HydrophobicContact CD2-CB 4.1Å; W427-N431 VanDerWaalsContact CE2-ND2 3.35Å; W427-N431 HydrophobicContact CE3-CB 3.95Å; W427-N431 HydrophobicContact CH2-CB 3.63Å; W427-N431 HydrophobicContact CZ2-CB 3.83Å; W427-N431 HydrophobicContact CZ3-CB 3.71Å; W427-N431 PolarHBondContact NE1-ND2 2.81Å; W427-N431 WeakPolarHBondContact O-CB 3.46Å; W427-N431 PolarHBondContact O-N 3.09Å; W427-N431 PolarHBondContact O-ND2 3.13Å; I428-N431 CarbonylContact O-C 3.2Å; I428-N431 PolarHBondContact O-N 3.12Å; N431-D433 PolarHBondContact O-N 3.49Å; N431-K434 HydrophobicContact CB-CD 4.21Å; N431-K434 PolarHBondContact O-N 3.06Å; N431-K434 WeakPolarHBondContact OD1-CE 3.17Å; N431-K434 PolarHBondContact OD1-NZ 3.34Å
432	A	92.1	Very high	94	Very high	27 Å²	27	51.4 Å²	51.4	22%	0.223	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.3	-170.2	0	0	0	0	0	115.2	I428 K438 T453	I428-A432 WeakPolarHBondContact O-CA 3.43Å; I428-A432 WeakPolarHBondContact O-CB 3.16Å; I428-A432 PolarHBondContact O-N 3.29Å; A432-K438 PolarHBondContact O-NZ 2.99Å; A432-T453 HydrophobicContact CB-CG2 4.05Å
433	D	93.5	Very high	94	Very high	129 Å²	129	54 Å²	54	69%	0.69	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-28.8	175	69.9	-50.4	0	0	0	113.2	N431 L435	N431-D433 PolarHBondContact O-N 3.49Å; D433-L435 VanDerWaalsContact C-N 3.34Å
434	K	94.4	Very high	94.2	Very high	44 Å²	44	50.6 Å²	50.6	19%	0.191	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.9	178.3	-61.3	175.6	-173.5	167.5	0	112.4	L405 K407 L408 N431	L405-K434 HydrophobicContact CD2-CD 4.48Å; L405-K434 HydrophobicContact CG-CD 4.4Å; L405-K434 WeakPolarHBondContact O-CE 3.43Å; K407-K434 CarbonylContact C-O 3.39Å; K407-K434 VanDerWaalsContact CA-O 3.31Å; K407-K434 WeakPolarHBondContact CA-O 3.22Å; L408-K434 PolarHBondContact N-O 3.43Å; N431-K434 HydrophobicContact CB-CD 4.21Å; N431-K434 PolarHBondContact O-N 3.06Å; N431-K434 WeakPolarHBondContact OD1-CE 3.17Å; N431-K434 PolarHBondContact OD1-NZ 3.34Å
435	L	94.6	Very high	94.2	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.047	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-70.1	127.5	-178.4	-63.3	174.8	0	0	0	111.2	L408 L410 W427 I428 D433 P437 V439	L408-L435 HydrophobicContact CB-CD2 4.49Å; L408-L435 HydrophobicContact CD2-CD2 4.24Å; L408-L435 HydrophobicContact CG-CD2 4.37Å; L408-L435 WeakPolarHBondContact O-CA 3.34Å; L410-L435 HydrophobicContact CD1-CD2 3.89Å; W427-L435 HydrophobicContact CZ3-CD2 4.46Å; I428-L435 HydrophobicContact CG1-CD1 4.21Å; I428-L435 HydrophobicContact CG2-CD1 4.1Å; D433-L435 VanDerWaalsContact C-N 3.34Å; L435-P437 CarbonylContact C-O 3.47Å; L435-V439 HydrophobicContact CD1-CG2 4.18Å; L435-V439 HydrophobicContact CD2-CG2 4.04Å
436	T	89.8	Confident	94.1	Very high	72 Å²	72	62.4 Å²	62.4	44%	0.442	32%	0.315	S	S	.	.	S	Bend	trans	-148.1	106.9	175.5	-62.2	0	0	0	0	110.3	L408 D409	L408-T436 PolarHBondContact O-N 3.17Å; D409-T436 WeakPolarHBondContact CA-O 3.13Å; D409-T436 VanDerWaalsContact CB-O 3.25Å; D409-T436 WeakPolarHBondContact CB-O 3.33Å; D409-T436 VanDerWaalsContact CG-O 3.24Å
437	P	92.9	Very high	94.1	Very high	67 Å²	67	58.7 Å²	58.7	44%	0.435	30%	0.299	S	S	.	.	S	Bend	cis	-78.2	-167.1	-3.4	37.6	-36.8	0	0	0	111.8	D409 L435	D409-P437 WeakPolarHBondContact OD1-CD 3.47Å; L435-P437 CarbonylContact C-O 3.47Å
438	K	92.4	Very high	94.3	Very high	74 Å²	74	61.3 Å²	61.3	32%	0.322	31%	0.31	S	S	.	.			trans	-71.9	151.8	174.9	-65.4	-55.5	-150.8	161.4	0	112.4	A432 H440 E451	A432-K438 PolarHBondContact O-NZ 2.99Å; K438-H440 PolarHBondContact O-CE1 3.16Å; K438-H440 PolarHBondContact O-ND1 3.07Å; K438-E451 HydrophobicContact CB-CG 4.03Å; K438-E451 WeakPolarHBondContact CD-OE1 3.43Å; K438-E451 WeakPolarHBondContact CE-OE1 3.36Å; K438-E451 WeakPolarHBondContact CG-OE1 3.23Å; K438-E451 IonicContact NZ-OE1 3.27Å; K438-E451 PolarHBondContact NZ-OE1 3.31Å
439	V	95.4	Very high	94.3	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.018	34%	0.336	C	S	.	.			trans	-104.8	133.7	-173.6	-167.5	0	0	0	0	109.9	L410 W415 L435 E451 I452	L410-V439 HydrophobicContact CB-CG2 3.89Å; L410-V439 HydrophobicContact CD1-CG2 4.49Å; W415-V439 HydrophobicContact CD2-CG1 4.26Å; W415-V439 HydrophobicContact CG-CG1 4.03Å; L435-V439 HydrophobicContact CD1-CG2 4.18Å; L435-V439 HydrophobicContact CD2-CG2 4.04Å; V439-E451 WeakPolarHBondContact O-CA 3.2Å; V439-E451 WeakPolarHBondContact O-CG 3.28Å; V439-I452 HydrophobicContact CB-CD1 4.11Å; V439-I452 HydrophobicContact CG1-CD1 3.59Å; V439-I452 PolarHBondContact O-N 3.13Å
440	H	96.3	Very high	94.5	Very high	90 Å²	90	63.7 Å²	63.7	42%	0.417	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-126.1	151.8	-173.9	-52.9	77.4	0	0	0	110	K438 G449 Q450	K438-H440 PolarHBondContact O-CE1 3.16Å; K438-H440 PolarHBondContact O-ND1 3.07Å; H440-G449 PolarHBondContact CD2-O 3.28Å; H440-Q450 CarbonylContact C-O 3.38Å; H440-Q450 WeakPolarHBondContact CA-O 3.48Å; H440-Q450 WeakPolarHBondContact CB-O 3.33Å
441	C	97.4	Very high	94.6	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.02	31%	0.311	C	S	.	.			trans	-69.9	137.9	175.3	-54.3	0	0	0	0	111.3	C417 L447 K448 G449 Q450	C417-C441 HydrophobicContact CB-CB 3.81Å; C417-C441 WeakPolarHBondContact CB-SG 3.3Å; C417-C441 WeakPolarHBondContact SG-CB 3.31Å; C417-C441 CovalentContact SG-SG 2.03Å; C417-C441 PolarHBondContact SG-SG 3.03Å; C441-L447 HydrophobicContact CB-CB 4.25Å; C441-L447 WeakPolarHBondContact CB-O 3.19Å; C441-K448 WeakPolarHBondContact O-CA 3.27Å; C441-G449 PolarHBondContact O-N 3.32Å; C441-Q450 PolarHBondContact N-O 3.19Å
442	E	97.8	Very high	94.7	Very high	73 Å²	73	59 Å²	59	34%	0.341	31%	0.306	S	S	.	.			trans	-97.2	-31.9	166.2	-178.4	55.8	-153.4	0	0	110.7	P414 W415 K448	P414-E442 HydrophobicContact CB-CG 4.47Å; W415-E442 PolarHBondContact O-N 2.91Å; E442-K448 WeakPolarHBondContact O-CG 3.46Å; E442-K448 PolarHBondContact O-NZ 2.94Å; E442-K448 WeakPolarHBondContact OE1-CE 3.29Å; E442-K448 IonicContact OE1-NZ 3.96Å; E442-K448 PolarHBondContact OE1-NZ 2.99Å; E442-K448 IonicContact OE2-NZ 3.97Å
443	Y	95.1	Very high	94.8	Very high	101 Å²	101	58.8 Å²	58.8	40%	0.396	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-135.4	161.9	174.8	-61	-70.4	0	0	0	110.5	W415 Q416 C417	W415-Y443 PolarHBondContact O-N 2.93Å; W415-Y443 VanDerWaalsContact O-N 3.08Å; Q416-Y443 HydrophobicContact CG-CD2 4.38Å; C417-Y443 WeakPolarHBondContact CB-O 3.07Å; C417-Y443 PolarHBondContact N-O 3.22Å
444	P	95.1	Very high	94.8	Very high	37 Å²	37	58.8 Å²	58.8	24%	0.24	30%	0.302	C	S	.	.	S	Bend	cis	-67.4	162.7	-12.7	30.7	-36.6	0	0	0	112	C417 H446 L447 K448	C417-P444 VanDerWaalsContact O-CD 3.32Å; C417-P444 WeakPolarHBondContact O-CD 3.36Å; P444-H446 WeakPolarHBondContact CG-CE1 3.3Å; P444-H446 PolarHBondContact O-N 2.9Å; P444-L447 HydrophobicContact CG-CB 4.45Å; P444-L447 HydrophobicContact CG-CD1 4.32Å; P444-L447 HydrophobicContact CG-CG 4.23Å; P444-L447 PolarHBondContact O-N 3.19Å; P444-K448 PolarHBondContact O-N 2.83Å; P444-K448 VanDerWaalsContact O-N 3.1Å
445	E	93.3	Very high	94.8	Very high	125 Å²	125	56.7 Å²	56.7	58%	0.584	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.9	-174	-72	-64.8	126.6	0	0	114.7	K448	E445-K448 WeakPolarHBondContact O-CB 3.29Å; E445-K448 IonicContact OE1-NZ 2.84Å; E445-K448 PolarHBondContact OE1-NZ 3.17Å; E445-K448 IonicContact OE2-NZ 2.66Å
446	H	93.3	Very high	94.8	Very high	138 Å²	138	60.5 Å²	60.5	64%	0.639	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.9	177.4	66.9	-94.8	0	0	0	114.3	P444 Q450	P444-H446 WeakPolarHBondContact CG-CE1 3.3Å; P444-H446 PolarHBondContact O-N 2.9Å; H446-Q450 PolarHBondContact O-NE2 2.72Å; H446-Q450 VanDerWaalsContact O-NE2 3.14Å
447	L	95.8	Very high	94.9	Very high	4 Å²	4	62 Å²	62	2%	0.021	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-5.5	171.5	-59.1	-174.6	0	0	0	113	C417 C441 P444 G449 Q450 L455 Q459	C417-L447 HydrophobicContact CB-CB 4.5Å; C417-L447 HydrophobicContact CB-CD1 3.84Å; C417-L447 WeakPolarHBondContact O-CD1 3.44Å; C441-L447 HydrophobicContact CB-CB 4.25Å; C441-L447 WeakPolarHBondContact CB-O 3.19Å; P444-L447 HydrophobicContact CG-CB 4.45Å; P444-L447 HydrophobicContact CG-CD1 4.32Å; P444-L447 HydrophobicContact CG-CG 4.23Å; P444-L447 PolarHBondContact O-N 3.19Å; L447-G449 PolarHBondContact O-N 3.35Å; L447-Q450 VanDerWaalsContact O-CB 3.26Å; L447-Q450 WeakPolarHBondContact O-CB 3.47Å; L447-Q450 WeakPolarHBondContact O-CG 3.35Å; L447-Q450 PolarHBondContact O-N 3.37Å; L447-L455 HydrophobicContact CD1-CD1 4.12Å; L447-L455 HydrophobicContact CD1-CD2 4.44Å; L447-L455 HydrophobicContact CD2-CD2 4.05Å; L447-Q459 HydrophobicContact CD1-CB 4.43Å
448	K	96.5	Very high	94.9	Very high	76 Å²	76	64.7 Å²	64.7	33%	0.33	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	128	-177.7	-169.8	-179.5	-146.9	82.4	0	112.1	C441 E442 P444 E445 Q450	C441-K448 WeakPolarHBondContact O-CA 3.27Å; E442-K448 WeakPolarHBondContact O-CG 3.46Å; E442-K448 PolarHBondContact O-NZ 2.94Å; E442-K448 WeakPolarHBondContact OE1-CE 3.29Å; E442-K448 IonicContact OE1-NZ 3.96Å; E442-K448 PolarHBondContact OE1-NZ 2.99Å; E442-K448 IonicContact OE2-NZ 3.97Å; P444-K448 PolarHBondContact O-N 2.83Å; P444-K448 VanDerWaalsContact O-N 3.1Å; E445-K448 WeakPolarHBondContact O-CB 3.29Å; E445-K448 IonicContact OE1-NZ 2.84Å; E445-K448 PolarHBondContact OE1-NZ 3.17Å; E445-K448 IonicContact OE2-NZ 2.66Å; K448-Q450 VanDerWaalsContact C-N 3.29Å; K448-Q450 PolarHBondContact O-N 3.25Å
449	G	95.4	Very high	94.8	Very high	52 Å²	52	64 Å²	64	54%	0.536	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-2.7	-178.4	0	0	0	0	0	115.9	H440 C441 L447	H440-G449 PolarHBondContact CD2-O 3.28Å; C441-G449 PolarHBondContact O-N 3.32Å; L447-G449 PolarHBondContact O-N 3.35Å
450	Q	96.2	Very high	94.8	Very high	80 Å²	80	64.1 Å²	64.1	37%	0.374	32%	0.324	S	S	.	.			trans	-78	140.4	174.1	-59	-175.2	33.8	0	0	110.9	H440 C441 H446 L447 K448 L455	H440-Q450 CarbonylContact C-O 3.38Å; H440-Q450 WeakPolarHBondContact CA-O 3.48Å; H440-Q450 WeakPolarHBondContact CB-O 3.33Å; C441-Q450 PolarHBondContact N-O 3.19Å; H446-Q450 PolarHBondContact O-NE2 2.72Å; H446-Q450 VanDerWaalsContact O-NE2 3.14Å; L447-Q450 VanDerWaalsContact O-CB 3.26Å; L447-Q450 WeakPolarHBondContact O-CB 3.47Å; L447-Q450 WeakPolarHBondContact O-CG 3.35Å; L447-Q450 PolarHBondContact O-N 3.37Å; K448-Q450 VanDerWaalsContact C-N 3.29Å; K448-Q450 PolarHBondContact O-N 3.25Å; Q450-L455 HydrophobicContact CB-CD2 4.14Å
451	E	95.9	Very high	94.5	Very high	34 Å²	34	64.7 Å²	64.7	16%	0.159	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-72.5	128.5	176.5	-170	-172.9	153.2	0	0	110.3	K438 V439 T453 L454	K438-E451 HydrophobicContact CB-CG 4.03Å; K438-E451 WeakPolarHBondContact CD-OE1 3.43Å; K438-E451 WeakPolarHBondContact CE-OE1 3.36Å; K438-E451 WeakPolarHBondContact CG-OE1 3.23Å; K438-E451 IonicContact NZ-OE1 3.27Å; K438-E451 PolarHBondContact NZ-OE1 3.31Å; V439-E451 WeakPolarHBondContact O-CA 3.2Å; V439-E451 WeakPolarHBondContact O-CG 3.28Å; E451-T453 HydrophobicContact CG-CG2 4.4Å; E451-T453 PolarHBondContact O-N 3.15Å; E451-T453 VanDerWaalsContact O-N 3.12Å; E451-T453 WeakPolarHBondContact OE1-CB 3.3Å; E451-T453 WeakPolarHBondContact OE1-CG2 3.36Å; E451-T453 PolarHBondContact OE1-OG1 2.99Å; E451-L454 HydrophobicContact CB-CD1 4.04Å; E451-L454 HydrophobicContact CB-CG 4.08Å; E451-L454 WeakPolarHBondContact O-CB 3.25Å; E451-L454 PolarHBondContact O-N 3.16Å
452	I	95.4	Very high	94.1	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.2	-176.5	-58.4	172.3	0	0	0	111.7	W415 L421 Y425 I428 V439 L454	W415-I452 HydrophobicContact CB-CD1 4.23Å; W415-I452 HydrophobicContact CG-CD1 4.18Å; L421-I452 HydrophobicContact CD2-CD1 4.21Å; L421-I452 HydrophobicContact CD2-CG2 4.32Å; Y425-I452 HydrophobicContact CD2-CG2 4.12Å; I428-I452 HydrophobicContact CD1-CB 4.4Å; I428-I452 HydrophobicContact CD1-CD1 4.17Å; I428-I452 HydrophobicContact CD1-CG2 4.07Å; I428-I452 HydrophobicContact CG2-CB 4.45Å; I428-I452 HydrophobicContact CG2-CG2 4.12Å; V439-I452 HydrophobicContact CB-CD1 4.11Å; V439-I452 HydrophobicContact CG1-CD1 3.59Å; V439-I452 PolarHBondContact O-N 3.13Å; I452-L454 PolarHBondContact O-N 3.48Å
453	T	93.7	Very high	93.1	Very high	23 Å²	23	68 Å²	68	14%	0.141	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.5	177.1	76.9	0	0	0	0	113.6	I428 K429 A432 E451	I428-T453 HydrophobicContact CG2-CG2 3.64Å; K429-T453 WeakPolarHBondContact CE-O 3.5Å; K429-T453 PolarHBondContact NZ-O 3Å; A432-T453 HydrophobicContact CB-CG2 4.05Å; E451-T453 HydrophobicContact CG-CG2 4.4Å; E451-T453 PolarHBondContact O-N 3.15Å; E451-T453 VanDerWaalsContact O-N 3.12Å; E451-T453 WeakPolarHBondContact OE1-CB 3.3Å; E451-T453 WeakPolarHBondContact OE1-CG2 3.36Å; E451-T453 PolarHBondContact OE1-OG1 2.99Å
454	L	94.3	Very high	92	Very high	130 Å²	130	69.6 Å²	69.6	68%	0.681	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-14.9	-176.6	-58.7	-178.9	0	0	0	113.6	E451 I452	E451-L454 HydrophobicContact CB-CD1 4.04Å; E451-L454 HydrophobicContact CB-CG 4.08Å; E451-L454 WeakPolarHBondContact O-CB 3.25Å; E451-L454 PolarHBondContact O-N 3.16Å; I452-L454 PolarHBondContact O-N 3.48Å
455	L	94.3	Very high	90.3	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.41	C	S	.	.			trans	-65.3	157.9	173.1	-64.1	-177.2	0	0	0	112.2	C417 Y425 K429 L447 Q450 L460	C417-L455 HydrophobicContact CB-CD1 4.14Å; Y425-L455 HydrophobicContact CE2-CB 4.24Å; Y425-L455 WeakPolarHBondContact CE2-O 3.29Å; Y425-L455 PolarHBondContact OH-O 3.26Å; K429-L455 WeakPolarHBondContact CE-O 3.15Å; K429-L455 PolarHBondContact NZ-O 3.36Å; L447-L455 HydrophobicContact CD1-CD1 4.12Å; L447-L455 HydrophobicContact CD1-CD2 4.44Å; L447-L455 HydrophobicContact CD2-CD2 4.05Å; Q450-L455 HydrophobicContact CB-CD2 4.14Å; L455-L460 HydrophobicContact CD1-CD2 3.95Å
456	N	93.7	Very high	88.3	Confident	89 Å²	89	74.5 Å²	74.5	48%	0.476	42%	0.415	S	S	.	.			trans	-99	162.6	160.9	-55.1	-36.1	0	0	0	110.9	D458 Q459	N456-D458 WeakPolarHBondContact CB-OD1 3.46Å; N456-Q459 HydrophobicContact CB-CG 4.45Å; N456-Q459 WeakPolarHBondContact O-CB 3.37Å; N456-Q459 PolarHBondContact O-N 3.02Å
457	E	93.1	Very high	86.2	Confident	103 Å²	103	73 Å²	73	48%	0.481	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-68.9	-34.1	-176.6	-166.4	-180	130.8	0	0	112.4	Y425 H426 Q459 L460	Y425-E457 HydrophobicContact CE1-CB 3.97Å; Y425-E457 HydrophobicContact CE1-CG 4.23Å; Y425-E457 PolarHBondContact OH-N 2.9Å; H426-E457 IonicContact CE1-OE2 2.68Å; H426-E457 PolarHBondContact CE1-OE2 3.2Å; H426-E457 VanDerWaalsContact CE1-OE2 3.27Å; E457-Q459 PolarHBondContact O-N 2.96Å; E457-Q459 VanDerWaalsContact O-N 3.12Å; E457-L460 WeakPolarHBondContact O-CB 3.45Å; E457-L460 PolarHBondContact O-N 2.96Å
458	D	91.9	Very high	83.8	Confident	124 Å²	124	79 Å²	79	66%	0.663	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-66.1	-7.6	174.6	56.1	-67.7	0	0	0	114.2	N456 V461	N456-D458 WeakPolarHBondContact CB-OD1 3.46Å; D458-V461 VanDerWaalsContact O-CG2 3.32Å; D458-V461 WeakPolarHBondContact O-CG2 3.28Å
459	Q	92.1	Very high	81.5	Confident	60 Å²	60	81.2 Å²	81.2	28%	0.28	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-89.7	-18.3	170.9	-56.3	-178.4	-98.8	0	0	112.8	L447 N456 E457 V461	L447-Q459 HydrophobicContact CD1-CB 4.43Å; N456-Q459 HydrophobicContact CB-CG 4.45Å; N456-Q459 WeakPolarHBondContact O-CB 3.37Å; N456-Q459 PolarHBondContact O-N 3.02Å; E457-Q459 PolarHBondContact O-N 2.96Å; E457-Q459 VanDerWaalsContact O-N 3.12Å; Q459-V461 VanDerWaalsContact C-N 3.32Å; Q459-V461 PolarHBondContact O-N 2.84Å; Q459-V461 VanDerWaalsContact O-N 3.07Å
460	L	93.4	Very high	78.9	Confident	5 Å²	5	84.6 Å²	84.6	3%	0.026	49%	0.485	C	S	.	.			trans	-86.7	68.6	-177	-63.1	179.3	0	0	0	110.5	C417 C419 L421 I422 Y425 L455 E457	C417-L460 HydrophobicContact CB-CD2 3.82Å; C419-L460 WeakPolarHBondContact CA-O 3.32Å; C419-L460 VanDerWaalsContact CB-O 3.29Å; C419-L460 WeakPolarHBondContact CB-O 3.43Å; C419-L460 PolarHBondContact N-O 3Å; L421-L460 HydrophobicContact CD2-CD2 4.49Å; I422-L460 HydrophobicContact CG1-CB 4.01Å; I422-L460 HydrophobicContact CG1-CD1 4.03Å; Y425-L460 HydrophobicContact CD1-CD1 3.85Å; Y425-L460 HydrophobicContact CD2-CD1 3.84Å; Y425-L460 HydrophobicContact CE1-CD1 4.39Å; Y425-L460 HydrophobicContact CE2-CD1 4.36Å; Y425-L460 HydrophobicContact CG-CD1 3.55Å; L455-L460 HydrophobicContact CD1-CD2 3.95Å; E457-L460 WeakPolarHBondContact O-CB 3.45Å; E457-L460 PolarHBondContact O-N 2.96Å
461	V	91.8	Very high	76.3	Confident	101 Å²	101	86.5 Å²	86.5	61%	0.612	50%	0.502	S	S	*	.			trans	-111.4	123.7	-171.7	-174.5	0	0	0	0	111.5	D458 Q459	D458-V461 VanDerWaalsContact O-CG2 3.32Å; D458-V461 WeakPolarHBondContact O-CG2 3.28Å; Q459-V461 VanDerWaalsContact C-N 3.32Å; Q459-V461 PolarHBondContact O-N 2.84Å; Q459-V461 VanDerWaalsContact O-N 3.07Å
462	C	87.5	Confident	73.9	Confident	30 Å²	30	92.1 Å²	92.1	20%	0.203	53%	0.533	C	S	.	.			trans	-77.3	142	170.2	-65.7	0	0	0	0	111.5	D418 C419 N420 T464	D418-C462 VanDerWaalsContact CG-SG 3.59Å; D418-C462 PolarHBondContact OD2-SG 2.81Å; C419-C462 VanDerWaalsContact CA-SG 3.57Å; C419-C462 HydrophobicContact CB-CB 4Å; C419-C462 WeakPolarHBondContact CB-SG 3.09Å; C419-C462 PolarHBondContact N-SG 2.97Å; C419-C462 WeakPolarHBondContact SG-CB 3.29Å; C419-C462 CovalentContact SG-SG 2.03Å; C419-C462 PolarHBondContact SG-SG 2.91Å; N420-C462 PolarHBondContact ND2-SG 2.99Å; N420-C462 VanDerWaalsContact ND2-SG 3.36Å; C462-T464 PolarHBondContact O-N 3.42Å; C462-T464 VanDerWaalsContact O-N 3.11Å
463	P	77.1	Confident	71.4	Confident	115 Å²	115	97.7 Å²	97.7	75%	0.747	57%	0.569	S	S	*	*			trans	-68.7	109.3	176.7	28.1	-34	0	0	0	111.1	L465	P463-L465 PolarHBondContact O-N 3.16Å
464	T	71.3	Confident	68.8	Low	135 Å²	135	102.3 Å²	102.3	83%	0.828	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-65	124.7	169.9	52.9	0	0	0	0	109.9	C462	C462-T464 PolarHBondContact O-N 3.42Å; C462-T464 VanDerWaalsContact O-N 3.11Å
465	L	60.2	Low	66.1	Low	158 Å²	158	102.4 Å²	102.4	83%	0.827	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-58.4	133.7	169.5	-87.7	76.1	0	0	0	109.3	P463	P463-L465 PolarHBondContact O-N 3.16Å
466	P	51.9	Low	63.5	Low	107 Å²	107	109.8 Å²	109.8	70%	0.695	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-62.7	136.7	173.5	26.9	-33.6	0	0	0	109.4	T468	P466-T468 PolarHBondContact O-N 3.44Å
467	P	48.7	Very low	61.1	Low	108 Å²	108	111.3 Å²	111.3	70%	0.701	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-64.1	127.3	-177.9	25.8	-34.1	0	0	0	110.6	T469	P467-T469 VanDerWaalsContact C-N 3.25Å; P467-T469 PolarHBondContact O-N 3.2Å
468	T	45.3	Very low	58.2	Low	130 Å²	130	112.1 Å²	112.1	80%	0.798	67%	0.668	S	S	*	*			trans	-75.4	68.7	-173.4	-29.7	0	0	0	0	112.4	P466 T470	P466-T468 PolarHBondContact O-N 3.44Å; T468-T470 PolarHBondContact O-N 3.06Å
469	T	48.2	Very low	55.6	Low	122 Å²	122	112.2 Å²	112.2	75%	0.748	67%	0.674	S	S	*	*			trans	-75.6	60.6	177.3	56.8	0	0	0	0	112.1	P467 T471	P467-T469 VanDerWaalsContact C-N 3.25Å; P467-T469 PolarHBondContact O-N 3.2Å; T469-T471 PolarHBondContact O-N 2.83Å; T469-T471 VanDerWaalsContact O-N 3.16Å
470	T	41.3	Very low	52.9	Low	123 Å²	123	114.8 Å²	114.8	76%	0.755	69%	0.693	S	S	*	*			trans	-81.4	91.2	173.4	-52.7	0	0	0	0	109.5	T468	T468-T470 PolarHBondContact O-N 3.06Å
471	T	41.5	Very low	50	Low	119 Å²	119	122 Å²	122	73%	0.73	73%	0.726	S	S	*	*			trans	-61.2	133.5	175.8	49.6	0	0	0	0	112	T469 P473	T469-T471 PolarHBondContact O-N 2.83Å; T469-T471 VanDerWaalsContact O-N 3.16Å; T471-P473 VanDerWaalsContact O-CD 3.26Å; T471-P473 WeakPolarHBondContact O-CD 3.05Å
472	L	44.3	Very low	47.1	Very low	153 Å²	153	123.2 Å²	123.2	80%	0.801	73%	0.734	S	S	*	*			trans	-66.5	119.1	174.8	-176.6	72.1	0	0	0	111.3	T474	L472-T474 PolarHBondContact O-N 3.17Å
473	P	43.3	Very low	44.6	Very low	116 Å²	116	128.1 Å²	128.1	75%	0.753	76%	0.764	S	S	*	*			trans	-85.2	104.6	177.2	-7.4	26.6	0	0	0	111.2	T471	T471-P473 VanDerWaalsContact O-CD 3.26Å; T471-P473 WeakPolarHBondContact O-CD 3.05Å
474	T	39.1	Very low	42.5	Very low	120 Å²	120	130.5 Å²	130.5	74%	0.736	76%	0.762	S	S	*	*			trans	-93.9	98	176.9	-56	0	0	0	0	111.5	L472	L472-T474 PolarHBondContact O-N 3.17Å
475	T	37.8	Very low	41.2	Very low	133 Å²	133	129.7 Å²	129.7	82%	0.816	76%	0.759	S	S	*	*			trans	-149.3	135.2	163.4	36.6	0	0	0	0	112.1
476	I	40.6	Very low	39.9	Very low	154 Å²	154	126 Å²	126	79%	0.79	74%	0.743	S	S	*	*			trans	-104.1	143.1	174.5	-61.8	162.1	0	0	0	108.2
477	P	42.2	Very low	39.1	Very low	121 Å²	121	128 Å²	128	79%	0.786	75%	0.754	S	S	*	*				-127.1	144	124.6	-0.8	22	0	0	0	114.4
478	T	32.3	Very low	38.3	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	75%	0.753	S	S	*	*			trans	-59.3	157.1	156.1	23.4	0	0	0	0	110.4
479	T	37.6	Very low	37.7	Very low	126 Å²	126	128.9 Å²	128.9	77%	0.773	75%	0.751	S	S	*	*			cis	-163.2	-177.9	33.3	-18.5	0	0	0	0	107.7
480	V	34.6	Very low	37	Very low	113 Å²	113	128.1 Å²	128.1	69%	0.685	75%	0.746	S	S	*	*			cis	-160.2	161.2	10.6	74.1	0	0	0	0	113.4
481	Q	33.4	Very low	36.6	Very low	156 Å²	156	128.1 Å²	128.1	73%	0.729	75%	0.747	S	S	*	*			trans	36.6	120.5	150.6	-80.1	177.5	-15.4	0	0	125
482	T	31.4	Very low	36.2	Very low	127 Å²	127	128.4 Å²	128.4	78%	0.779	75%	0.748	S	S	*	*			trans	70.5	153.4	133.3	64.3	0	0	0	0	120
483	T	33.7	Very low	35.6	Very low	133 Å²	133	126.7 Å²	126.7	82%	0.816	74%	0.744	S	S	*	*			cis	-128	172.6	14.8	53.9	0	0	0	0	113.9
484	K	34	Very low	34.9	Very low	166 Å²	166	128.2 Å²	128.2	72%	0.722	75%	0.745	S	S	*	*			trans	-138.7	139.3	174.6	-170.9	-153.6	176.8	-152	0	110	T486	K484-T486 WeakPolarHBondContact CD-OG1 3.26Å; K484-T486 WeakPolarHBondContact CE-OG1 3.39Å; K484-T486 PolarHBondContact NZ-OG1 3.17Å
485	P	43.6	Very low	34.6	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	75%	0.749	S	S	*	*				-127.3	137.1	125.7	35.1	-27.7	0	0	0	110
486	T	32	Very low	34.3	Very low	80 Å²	80	131.5 Å²	131.5	49%	0.491	74%	0.741	S	S	.	*			cis	73.1	90.7	42.9	-51.3	0	0	0	0	113.6	K484	K484-T486 WeakPolarHBondContact CD-OG1 3.26Å; K484-T486 WeakPolarHBondContact CE-OG1 3.39Å; K484-T486 PolarHBondContact NZ-OG1 3.17Å
487	T	35.9	Very low	33.8	Very low	150 Å²	150	129.5 Å²	129.5	92%	0.92	74%	0.736	S	S	*	*			trans	-140.2	161.2	138	10.4	0	0	0	0	108.7
488	T	31.7	Very low	33.4	Very low	111 Å²	111	129.7 Å²	129.7	68%	0.681	74%	0.735	S	S	*	*			trans	-135.6	160.4	-159.7	-46.7	0	0	0	0	110.4
489	L	32.7	Very low	33.3	Very low	145 Å²	145	129.2 Å²	129.2	76%	0.759	74%	0.737	S	S	*	*			trans	141.3	108.5	139.4	-72.6	168	0	0	0	109.7
490	T	33	Very low	33	Very low	105 Å²	105	129.1 Å²	129.1	64%	0.644	74%	0.736	S	S	*	*				57.2	128.9	89.1	64.3	0	0	0	0	113.5
491	T	34	Very low	32.8	Very low	124 Å²	124	129.4 Å²	129.4	76%	0.761	74%	0.739	S	S	*	*			cis	-151.8	-162.6	7.2	-2.7	0	0	0	0	109.1
492	T	32	Very low	32.7	Very low	125 Å²	125	127.9 Å²	127.9	77%	0.767	74%	0.74	S	S	*	*			cis	-155.9	178.1	21	-27.8	0	0	0	0	111.5
493	T	32.6	Very low	32.6	Very low	116 Å²	116	129.7 Å²	129.7	71%	0.712	74%	0.744	S	S	*	*			trans	-73.5	167.1	170.4	47.3	0	0	0	0	113.4
494	L	28.5	Very low	33.3	Very low	148 Å²	148	127.9 Å²	127.9	78%	0.775	74%	0.735	S	S	*	*			cis	-151.6	135.7	39.2	-154.6	70	0	0	0	109
495	R	32.3	Very low	33.1	Very low	215 Å²	215	125.7 Å²	125.7	81%	0.811	74%	0.735	S	S	*	*				56.5	133.7	69.8	-111.2	-175.9	178.2	-178.7	-0.5	112.9
496	T	32.1	Very low	32.5	Very low	108 Å²	108	126.8 Å²	126.8	66%	0.663	74%	0.74	S	S	*	*			cis	-153.8	145.2	38.8	43.2	0	0	0	0	117.1
497	T	30.8	Very low	32.4	Very low	111 Å²	111	129 Å²	129	68%	0.681	75%	0.754	S	S	*	*			trans	47.2	133	140	61.2	0	0	0	0	122.6
498	T	34	Very low	32.9	Very low	125 Å²	125	128 Å²	128	77%	0.767	75%	0.75	S	S	*	*			cis	87.2	144.4	27.9	71.2	0	0	0	0	117.8
499	S	30.1	Very low	32.8	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	75%	0.753	S	S	*	*			trans	91.7	165	170.8	87.3	0	0	0	0	118.4
500	T	30.2	Very low	32.5	Very low	123 Å²	123	127.6 Å²	127.6	76%	0.755	75%	0.753	S	S	*	*				-161.6	160.8	-82.8	24.3	0	0	0	0	113.7
501	T	30.6	Very low	32.3	Very low	120 Å²	120	129 Å²	129	74%	0.736	76%	0.762	S	S	*	*			trans	71.5	125.7	149.7	42.2	0	0	0	0	125.1
502	T	31	Very low	32	Very low	124 Å²	124	131.6 Å²	131.6	76%	0.761	77%	0.766	S	S	*	*			trans	70.2	123.7	135.3	55.9	0	0	0	0	126.3
503	L	29.9	Very low	33	Very low	164 Å²	164	130.3 Å²	130.3	86%	0.859	76%	0.76	S	S	*	*				40.3	167.3	123.5	-110.4	63.2	0	0	0	122.4
504	P	48.4	Very low	32.8	Very low	95 Å²	95	131.7 Å²	131.7	62%	0.617	77%	0.768	S	S	*	*			cis	-146.6	177.2	0.3	40.2	-17.9	0	0	0	120.7
505	T	30	Very low	32.8	Very low	120 Å²	120	130.5 Å²	130.5	74%	0.736	77%	0.767	S	S	*	*			trans	57.3	133.4	145.7	46.5	0	0	0	0	125.7
506	T	30.4	Very low	32.7	Very low	142 Å²	142	125.8 Å²	125.8	87%	0.871	76%	0.762	S	S	*	*				170	167.5	109.6	35.3	0	0	0	0	114.2
507	T	29.9	Very low	32.5	Very low	126 Å²	126	126.8 Å²	126.8	77%	0.773	77%	0.768	S	S	*	*			trans	-125.1	170.4	-170.8	-22.3	0	0	0	0	112.2
508	P	45.8	Very low	32.5	Very low	128 Å²	128	128.5 Å²	128.5	83%	0.831	77%	0.773	S	S	*	*				-151.3	-175	94.2	39.5	-19.7	0	0	0	116.8
509	T	29.8	Very low	32.7	Very low	123 Å²	123	128.3 Å²	128.3	76%	0.755	77%	0.774	S	S	*	*			trans	-105.9	162.6	-168.6	52.5	0	0	0	0	115.6
510	T	28.1	Very low	32.8	Very low	125 Å²	125	128 Å²	128	77%	0.767	77%	0.767	S	S	*	*			trans	-168.9	132.7	130.7	32.2	0	0	0	0	116.4
511	T	28.4	Very low	32.7	Very low	134 Å²	134	129 Å²	129	82%	0.822	77%	0.773	S	S	*	*			trans	58.8	123	141.1	59.7	0	0	0	0	125.9
512	Q	28.1	Very low	32.7	Very low	180 Å²	180	129.3 Å²	129.3	84%	0.841	78%	0.775	S	S	*	*			trans	-46.4	-174.6	143.4	-98.5	-169.8	-18.9	0	0	116.2
513	P	52.6	Low	33.4	Very low	98 Å²	98	128.6 Å²	128.6	64%	0.636	77%	0.772	S	S	*	*			cis	-138.3	-179.3	-35.1	38.5	-22.1	0	0	0	112.9
514	T	27.3	Very low	33.4	Very low	145 Å²	145	126.6 Å²	126.6	89%	0.89	77%	0.767	S	S	*	*			trans	-170.8	169.1	137.1	9.3	0	0	0	0	113.9
515	T	30.1	Very low	32.6	Very low	122 Å²	122	128.6 Å²	128.6	75%	0.748	78%	0.778	S	S	*	*			trans	-120.8	-178.2	-175	51.2	0	0	0	0	112.9
516	T	28.2	Very low	32.6	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	78%	0.778	S	S	*	*			trans	102	147.3	140.7	-2.8	0	0	0	0	120.9
517	T	28.6	Very low	32.6	Very low	130 Å²	130	128.4 Å²	128.4	80%	0.798	78%	0.777	S	S	*	*			trans	76.4	118.2	154.6	38	0	0	0	0	122.1
518	L	32.1	Very low	32.7	Very low	147 Å²	147	127.9 Å²	127.9	77%	0.77	77%	0.774	S	S	*	*			trans	-58.2	152.4	151.7	-173.7	72.9	0	0	0	111.2	T520	L518-T520 HydrophobicContact CD2-CG2 4.4Å
519	P	37.7	Very low	31.9	Very low	121 Å²	121	127.1 Å²	127.1	79%	0.786	77%	0.766	S	S	*	*				-137.1	149.3	119.8	37.3	-27.8	0	0	0	114.6
520	T	30.9	Very low	31.8	Very low	106 Å²	106	127.6 Å²	127.6	65%	0.65	77%	0.769	S	S	*	*			trans	-84.1	148.9	165.7	48.2	0	0	0	0	111.7	L518	L518-T520 HydrophobicContact CD2-CG2 4.4Å
521	T	29.8	Very low	32.1	Very low	143 Å²	143	129.8 Å²	129.8	88%	0.877	77%	0.773	S	S	*	*				-175.5	154.4	120.3	27.2	0	0	0	0	113.5
522	T	30.2	Very low	32.9	Very low	126 Å²	126	128.7 Å²	128.7	77%	0.773	77%	0.768	S	S	*	*			trans	-82.7	175.8	175.8	-23.2	0	0	0	0	112.2
523	P	44.2	Very low	33	Very low	109 Å²	109	123.9 Å²	123.9	71%	0.708	76%	0.759	S	S	*	*				-150.7	144.7	95.3	39	-22	0	0	0	117.5
524	T	31.1	Very low	31.9	Very low	123 Å²	123	125 Å²	125	76%	0.755	76%	0.764	S	S	*	*			trans	49.8	142.9	146.9	52.7	0	0	0	0	121.5
525	T	30.9	Very low	32.1	Very low	137 Å²	137	124.3 Å²	124.3	84%	0.84	76%	0.76	S	S	*	*			cis	-140.2	167.6	46.7	40.3	0	0	0	0	116.4
526	T	30.4	Very low	32.7	Very low	120 Å²	120	123.4 Å²	123.4	74%	0.736	76%	0.757	S	S	*	*			trans	-73.9	160	179.5	-0.5	0	0	0	0	113.2
527	T	29.8	Very low	32.7	Very low	138 Å²	138	124.6 Å²	124.6	85%	0.847	76%	0.764	S	S	*	*				-149.3	172.9	70.6	38.2	0	0	0	0	116.3
528	T	31.6	Very low	32.8	Very low	115 Å²	115	123.1 Å²	123.1	71%	0.706	76%	0.759	S	S	*	*			trans	-78.3	176.6	-174.3	49.4	0	0	0	0	114
529	T	30	Very low	32.7	Very low	111 Å²	111	122.2 Å²	122.2	68%	0.681	76%	0.76	S	S	*	*			cis	-165.6	135.8	34.2	-26.2	0	0	0	0	114.7
530	T	28.4	Very low	32.2	Very low	133 Å²	133	122.9 Å²	122.9	82%	0.816	76%	0.762	S	S	*	*			trans	52.9	133.6	146.8	53	0	0	0	0	126.4
531	M	32.7	Very low	32.2	Very low	171 Å²	171	124 Å²	124	84%	0.842	77%	0.768	S	S	*	*			trans	-81.4	-170.3	155.7	-81	177.2	57.7	0	0	111.9
532	P	45.2	Very low	32.9	Very low	112 Å²	112	123 Å²	123	73%	0.727	76%	0.764	S	S	*	*			cis	-150.1	167.4	15	45.8	-24.6	0	0	0	122
533	A	30.3	Very low	32.8	Very low	78 Å²	78	122.8 Å²	122.8	65%	0.645	76%	0.762	S	S	*	*			trans	59.3	122.2	133.1	0	0	0	0	0	127.3
534	T	31.1	Very low	32	Very low	121 Å²	121	124.6 Å²	124.6	74%	0.742	77%	0.772	S	S	*	*				67	118	127.8	60.3	0	0	0	0	126.2
535	T	31.2	Very low	31.9	Very low	131 Å²	131	125.1 Å²	125.1	80%	0.804	78%	0.775	S	S	*	*			trans	64.6	175.9	144.7	49.1	0	0	0	0	117.9
536	P	41.5	Very low	31.8	Very low	104 Å²	104	124.1 Å²	124.1	68%	0.675	77%	0.773	S	S	*	*			cis	-146.8	178.3	12.2	42.3	-20.2	0	0	0	120.7
537	T	28.9	Very low	31.8	Very low	141 Å²	141	124.7 Å²	124.7	87%	0.865	78%	0.777	S	S	*	*			trans	65.8	-173.2	146.8	44.9	0	0	0	0	122.9
538	S	29.6	Very low	31.7	Very low	99 Å²	99	125 Å²	125	69%	0.692	78%	0.779	S	S	*	*			trans	-142	-172.1	-145.9	61.9	0	0	0	0	115.5
539	T	30.2	Very low	31.7	Very low	128 Å²	128	126 Å²	126	79%	0.785	79%	0.785	S	S	*	*			trans	75.3	148.5	168	9.7	0	0	0	0	115.1
540	T	29	Very low	31.5	Very low	135 Å²	135	129.9 Å²	129.9	83%	0.828	80%	0.795	S	S	*	*			cis	-141	171.4	17.5	46.3	0	0	0	0	116.1
541	V	30.4	Very low	31.6	Very low	129 Å²	129	128.7 Å²	128.7	78%	0.782	79%	0.793	S	S	*	*			trans	-66.4	158.3	165	164.9	0	0	0	0	110.8
542	P	43	Very low	31.5	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	79%	0.793	S	S	*	*				-145.3	-177.7	50.3	36	-10.9	0	0	0	120.7
543	T	29.7	Very low	30.8	Very low	122 Å²	122	127.8 Å²	127.8	75%	0.748	79%	0.794	S	S	*	*			trans	-73.4	160	177.4	50	0	0	0	0	116.9
544	T	27.3	Very low	30.8	Very low	148 Å²	148	132.3 Å²	132.3	91%	0.908	80%	0.804	S	S	*	*			trans	-149.6	159	137.6	21.3	0	0	0	0	112.2
545	T	29	Very low	30.6	Very low	133 Å²	133	131.4 Å²	131.4	82%	0.816	80%	0.799	S	S	*	*			trans	-119.3	144.9	-177	-36.5	0	0	0	0	110.2
546	S	28.8	Very low	30.5	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	80%	0.797	S	S	*	*			trans	-156	125.5	155.8	53.5	0	0	0	0	113.3
547	T	29.9	Very low	30.1	Very low	133 Å²	133	131.2 Å²	131.2	82%	0.816	80%	0.801	S	S	*	*			trans	-97.5	138.3	163.2	46.4	0	0	0	0	109.4
548	T	28.4	Very low	31.1	Very low	143 Å²	143	129.8 Å²	129.8	88%	0.877	79%	0.794	S	S	*	*			trans	-142.7	119.8	160.6	41.7	0	0	0	0	111
549	T	30.1	Very low	31.2	Very low	136 Å²	136	132 Å²	132	83%	0.834	80%	0.803	S	S	*	*			trans	-93.8	140	161.5	46	0	0	0	0	109.5
550	E	27.2	Very low	31.3	Very low	193 Å²	193	131.2 Å²	131.2	90%	0.902	80%	0.798	S	S	*	*			trans	-161.1	171.6	143.4	-123.2	168.8	-160.6	0	0	111.9
551	S	29.8	Very low	31.4	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	79%	0.794	S	S	*	*			trans	-157.6	135.4	-170.9	-62.7	0	0	0	0	113.2
552	T	31.1	Very low	31.2	Very low	139 Å²	139	130.5 Å²	130.5	85%	0.853	80%	0.798	S	S	*	*			trans	-157.8	128.1	156.1	31.1	0	0	0	0	107.2
553	V	30.7	Very low	30.5	Very low	124 Å²	124	130.5 Å²	130.5	75%	0.752	80%	0.796	S	S	*	*			cis	94.3	110.5	42.2	169.4	0	0	0	0	112.5
554	M	29	Very low	30.5	Very low	173 Å²	173	131.7 Å²	131.7	85%	0.852	80%	0.803	S	S	*	*			trans	151.2	145.7	151.1	-89.1	-170.8	-177.2	0	0	111.5
555	T	28	Very low	30.6	Very low	103 Å²	103	130.4 Å²	130.4	63%	0.632	80%	0.795	S	S	*	*			cis	-171.7	143.4	-32.9	12.8	0	0	0	0	109
556	T	29.8	Very low	30.8	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	80%	0.795	S	S	*	*			trans	50.5	149.6	146.8	60.9	0	0	0	0	122.7
557	S	31.6	Very low	31.3	Very low	107 Å²	107	130.1 Å²	130.1	75%	0.748	79%	0.79	S	S	*	*			cis	-158.4	-131.6	-17.7	-80	0	0	0	0	109.9
558	P	51.3	Low	31.4	Very low	111 Å²	111	129.7 Å²	129.7	72%	0.721	79%	0.787	S	S	*	*				-131.1	179	-122.9	42.4	-22.7	0	0	0	116.8
559	T	30.2	Very low	31.4	Very low	145 Å²	145	128.6 Å²	128.6	89%	0.89	78%	0.781	S	S	*	*			trans	-153.8	160.5	147.7	-22.5	0	0	0	0	110.9
560	T	32	Very low	31.3	Very low	112 Å²	112	127.9 Å²	127.9	69%	0.687	78%	0.776	S	S	*	*			trans	-144.2	144.9	-158.9	44.1	0	0	0	0	115.3
561	I	31.4	Very low	31.3	Very low	145 Å²	145	124.8 Å²	124.8	74%	0.744	77%	0.771	S	S	*	*			trans	61.1	127.1	142.9	-60.9	163.4	0	0	0	118.9	T563	I561-T563 HydrophobicContact CG2-CG2 4.26Å
562	A	26.9	Very low	31.2	Very low	104 Å²	104	127.5 Å²	127.5	86%	0.86	77%	0.773	S	S	*	*			trans	-139.1	136.1	141.5	0	0	0	0	0	109.3
563	T	29.3	Very low	31.3	Very low	121 Å²	121	129 Å²	129	74%	0.742	78%	0.775	S	S	*	*			trans	-138.1	135.9	-177.1	47	0	0	0	0	111.4	I561	I561-T563 HydrophobicContact CG2-CG2 4.26Å
564	T	27.7	Very low	31	Very low	146 Å²	146	128.3 Å²	128.3	90%	0.896	77%	0.771	S	S	*	*			trans	-146.4	159.3	166.2	30.5	0	0	0	0	110.1
565	T	29.6	Very low	31	Very low	121 Å²	121	125.5 Å²	125.5	74%	0.742	76%	0.764	S	S	*	*			trans	-143.8	133.9	-153.7	50.7	0	0	0	0	114.8
566	V	33.2	Very low	31	Very low	135 Å²	135	126.9 Å²	126.9	82%	0.818	77%	0.772	S	S	*	*			trans	70.3	155.9	140.3	171.9	0	0	0	0	116
567	P	40.8	Very low	31.2	Very low	109 Å²	109	129.5 Å²	129.5	71%	0.708	78%	0.778	S	S	*	*			cis	-126.9	175	5.1	18.2	8.2	0	0	0	118.5
568	T	31.8	Very low	31	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	79%	0.787	S	S	*	*			trans	-8.5	150.5	154.4	60.5	0	0	0	0	120.4
569	T	26.9	Very low	29.9	Very low	121 Å²	121	134.2 Å²	134.2	74%	0.742	79%	0.789	S	S	*	*				-162.9	159	62	40.3	0	0	0	0	116.6
570	T	29	Very low	29.8	Very low	120 Å²	120	133.9 Å²	133.9	74%	0.736	79%	0.787	S	S	*	*			trans	22.9	133	141.8	-25.6	0	0	0	0	119.3
571	T	26.4	Very low	29.5	Very low	129 Å²	129	134.2 Å²	134.2	79%	0.791	79%	0.789	S	S	*	*				-172.2	162.3	71.3	-52.4	0	0	0	0	112.8
572	M	29.1	Very low	29.6	Very low	165 Å²	165	133.5 Å²	133.5	81%	0.813	79%	0.794	S	S	*	*			trans	-66.2	154.9	173.3	-56.2	176.9	-177.5	0	0	114.1
573	I	32.1	Very low	29.7	Very low	171 Å²	171	133.9 Å²	133.9	88%	0.877	79%	0.786	S	S	*	*			trans	-135.3	140	150.4	-64	-175.6	0	0	0	109.1
574	T	25.9	Very low	29.8	Very low	109 Å²	109	133.4 Å²	133.4	67%	0.669	78%	0.783	S	S	*	*			trans	-122.1	-169.4	-178.1	-44.5	0	0	0	0	109.4
575	T	29	Very low	29.8	Very low	115 Å²	115	132.5 Å²	132.5	71%	0.706	78%	0.777	S	S	*	*			trans	81.7	95.9	154.1	26.5	0	0	0	0	120.1
576	T	28.1	Very low	30.8	Very low	131 Å²	131	132 Å²	132	80%	0.804	78%	0.776	S	S	*	*				70.2	143.6	118.9	52.5	0	0	0	0	123
577	M	32.6	Very low	30.5	Very low	180 Å²	180	131.7 Å²	131.7	89%	0.887	78%	0.775	S	S	*	*			trans	-54.7	154.3	163.9	-57.3	169.1	171.1	0	0	113.8
578	M	28.2	Very low	30	Very low	193 Å²	193	131 Å²	131	95%	0.951	77%	0.772	S	S	*	*			trans	-143.9	151.1	131	-83.3	-154.5	-179.9	0	0	111.2
579	T	28.1	Very low	29.7	Very low	124 Å²	124	130.6 Å²	130.6	76%	0.761	77%	0.77	S	S	*	*			trans	-95.5	155.7	169.8	47.3	0	0	0	0	110.4
580	T	27.9	Very low	29.8	Very low	138 Å²	138	131.2 Å²	131.2	85%	0.847	77%	0.774	S	S	*	*				169.3	160.7	118.6	35.8	0	0	0	0	113.7
581	T	26.5	Very low	29.7	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.724	78%	0.778	S	S	*	*			trans	-84.3	170.2	178.5	48.4	0	0	0	0	113.8
582	P	32.6	Very low	30.6	Very low	130 Å²	130	130.7 Å²	130.7	84%	0.844	77%	0.772	S	S	*	*			trans	-130	171	135.4	38.8	-30.6	0	0	0	114.7
583	T	28.8	Very low	30.6	Very low	112 Å²	112	128.4 Å²	128.4	69%	0.687	77%	0.768	S	S	*	*			trans	-156.8	151.1	-161.4	51.7	0	0	0	0	110.9
584	T	32.1	Very low	30.3	Very low	111 Å²	111	126.1 Å²	126.1	68%	0.681	76%	0.762	S	S	*	*			cis	-172.4	162.4	-5.3	22.4	0	0	0	0	109.2
585	T	28.3	Very low	30.5	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	77%	0.769	S	S	*	*			trans	64.3	169.9	153.5	49.6	0	0	0	0	119
586	P	49.8	Very low	30.4	Very low	109 Å²	109	127.9 Å²	127.9	71%	0.708	77%	0.773	S	S	*	*			cis	-137.1	-177.4	-44.7	37.7	-21.7	0	0	0	113.4
587	T	26.8	Very low	31.4	Very low	130 Å²	130	127 Å²	127	80%	0.798	77%	0.769	S	S	*	*				161	165.5	123.1	-58.9	0	0	0	0	111.2
588	S	29.4	Very low	31.2	Very low	94 Å²	94	125.2 Å²	125.2	66%	0.657	77%	0.769	S	S	*	*			trans	-77.4	-179.9	-171.4	60.8	0	0	0	0	114.5
589	T	27	Very low	31.2	Very low	114 Å²	114	122 Å²	122	70%	0.699	76%	0.76	S	S	*	*			cis	-167.2	171	33.1	-25.9	0	0	0	0	113
590	T	29.1	Very low	31.2	Very low	134 Å²	134	121.3 Å²	121.3	82%	0.822	76%	0.756	S	S	*	*			trans	74.4	139.4	154.3	40.7	0	0	0	0	122.9
591	T	26.6	Very low	31.3	Very low	134 Å²	134	120.7 Å²	120.7	82%	0.822	75%	0.752	S	S	*	*			trans	-88.9	-176.2	169.9	14.5	0	0	0	0	112
592	P	45.7	Very low	31.5	Very low	104 Å²	104	121.6 Å²	121.6	68%	0.675	76%	0.758	S	S	*	*			cis	-137.4	-158	-0.1	35.3	-11.7	0	0	0	115.5
593	T	27.8	Very low	31.5	Very low	118 Å²	118	119.5 Å²	119.5	72%	0.724	75%	0.751	S	S	*	*			trans	85.5	117.4	148	34.3	0	0	0	0	123.1
594	T	26.6	Very low	32.7	Very low	122 Å²	122	119.7 Å²	119.7	75%	0.748	75%	0.754	S	S	*	*			trans	16.2	140.3	133	56.3	0	0	0	0	119.8
595	T	29.1	Very low	32.6	Very low	134 Å²	134	121.3 Å²	121.3	82%	0.822	76%	0.764	S	S	*	*				-157.3	170.6	59.2	44.8	0	0	0	0	116
596	T	28.1	Very low	32.8	Very low	128 Å²	128	120.8 Å²	120.8	79%	0.785	76%	0.761	S	S	*	*			trans	-79.5	-171.3	165	37.8	0	0	0	0	113
597	P	47.8	Very low	31.7	Very low	111 Å²	111	120.9 Å²	120.9	72%	0.721	76%	0.76	S	S	*	*			cis	-132.2	-178	-44.9	36.3	-20.7	0	0	0	113.1
598	T	28.9	Very low	31.9	Very low	144 Å²	144	121.6 Å²	121.6	88%	0.883	76%	0.758	S	S	*	*			trans	-146.1	140.8	154.2	0.8	0	0	0	0	114.2
599	T	28.4	Very low	31.9	Very low	124 Å²	124	122.8 Å²	122.8	76%	0.761	76%	0.762	S	S	*	*			trans	-88.3	177.7	169.2	43.2	0	0	0	0	109.5
600	T	28.7	Very low	31.9	Very low	110 Å²	110	123 Å²	123	68%	0.675	76%	0.763	S	S	*	*			cis	-167.7	161.1	49.8	47.1	0	0	0	0	114.2
601	T	29.6	Very low	32	Very low	125 Å²	125	120.3 Å²	120.3	77%	0.767	75%	0.754	S	S	*	*			trans	65.8	152	150.9	45.3	0	0	0	0	118.7
602	T	30.9	Very low	32.2	Very low	138 Å²	138	121.2 Å²	121.2	85%	0.847	75%	0.753	S	S	*	*			cis	-139.9	175.6	11.7	-24.5	0	0	0	0	111.8
603	A	32.9	Very low	31.4	Very low	86 Å²	86	121.5 Å²	121.5	71%	0.711	75%	0.753	S	S	*	*			trans	-124	-154.2	-171.3	0	0	0	0	0	111.5
604	P	52.4	Low	31.4	Very low	115 Å²	115	122 Å²	122	75%	0.747	76%	0.756	S	S	*	*				-126.9	-175.2	-71	35.2	-19.9	0	0	0	113.3
605	T	30.2	Very low	31.5	Very low	145 Å²	145	122.5 Å²	122.5	89%	0.89	76%	0.759	S	S	*	*			trans	-141	142.7	150.6	-27.3	0	0	0	0	111.8
606	T	32.4	Very low	31.6	Very low	117 Å²	117	122.4 Å²	122.4	72%	0.718	76%	0.759	S	S	*	*			trans	-97.6	175	177.4	46.7	0	0	0	0	110.5
607	T	28.3	Very low	32.3	Very low	112 Å²	112	121.8 Å²	121.8	69%	0.687	76%	0.757	S	S	*	*			cis	-153.2	142.8	37.4	43.6	0	0	0	0	111.6
608	L	30.2	Very low	31.3	Very low	145 Å²	145	124.9 Å²	124.9	76%	0.759	77%	0.766	S	S	*	*				54.9	140	90.5	-49.3	170.3	0	0	0	114.7
609	T	29.1	Very low	31.3	Very low	119 Å²	119	124.4 Å²	124.4	73%	0.73	76%	0.763	S	S	*	*			cis	-164.2	174.9	0.2	6.7	0	0	0	0	107.8
610	T	28.3	Very low	31.3	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.724	77%	0.769	S	S	*	*			cis	-150.9	167.2	5.1	12	0	0	0	0	106.2
611	A	30.7	Very low	31.2	Very low	78 Å²	78	130 Å²	130	65%	0.645	78%	0.78	S	S	*	*			cis	68.1	145.6	46.4	0	0	0	0	0	114.7
612	L	30.9	Very low	31.1	Very low	153 Å²	153	132.2 Å²	132.2	80%	0.801	78%	0.782	S	S	*	*			cis	-117.4	-144.4	-1.2	-63	83	0	0	0	109.2
613	T	28.3	Very low	30.9	Very low	110 Å²	110	131.5 Å²	131.5	68%	0.675	78%	0.777	S	S	*	*			cis	-164.3	141.4	2	-12.5	0	0	0	0	111.3
614	T	28.2	Very low	30.6	Very low	129 Å²	129	133 Å²	133	79%	0.791	78%	0.778	S	S	*	*			trans	53.9	148.2	152	49	0	0	0	0	121.9
615	T	28.7	Very low	29.4	Very low	132 Å²	132	133.8 Å²	133.8	81%	0.81	78%	0.78	S	S	*	*			cis	-134.3	171.9	10.7	39.3	0	0	0	0	113.3
616	T	30.3	Very low	29.3	Very low	132 Å²	132	133.9 Å²	133.9	81%	0.81	77%	0.774	S	S	*	*			trans	-110.7	-175.9	173.8	54.8	0	0	0	0	110.3
617	P	42.8	Very low	29	Very low	114 Å²	114	134 Å²	134	74%	0.74	78%	0.775	S	S	*	*			cis	-132.5	173.9	-0.7	41.4	-24.7	0	0	0	116.2
618	L	28.4	Very low	29	Very low	176 Å²	176	135 Å²	135	92%	0.921	78%	0.781	S	S	*	*			trans	-107.9	140.3	159.7	-164.4	77.3	0	0	0	108.9
619	T	28.2	Very low	28.9	Very low	134 Å²	134	134 Å²	134	82%	0.822	78%	0.781	S	S	*	*			trans	-98.8	121.1	-174	35	0	0	0	0	113.6
620	T	29	Very low	28.8	Very low	142 Å²	142	134.8 Å²	134.8	87%	0.871	79%	0.786	S	S	*	*			trans	-91.4	153.5	164.3	35.4	0	0	0	0	111.6
621	K	26.6	Very low	28.8	Very low	209 Å²	209	136 Å²	136	91%	0.909	79%	0.787	S	S	*	*			trans	-149.5	133.7	161.9	-128.3	-178.4	-177.4	-177.5	0	112.2
622	Q	27.5	Very low	28.7	Very low	173 Å²	173	141.7 Å²	141.7	81%	0.808	80%	0.803	S	S	*	*			trans	-79.9	-178.8	157.7	-61.8	165.1	-34.7	0	0	107.9
623	T	26.2	Very low	28.5	Very low	123 Å²	123	139.8 Å²	139.8	76%	0.755	80%	0.797	S	S	*	*			cis	-149.4	-167.5	13.5	-17.5	0	0	0	0	106.7
624	T	26.1	Very low	28.5	Very low	117 Å²	117	141.4 Å²	141.4	72%	0.718	81%	0.807	S	S	*	*			cis	-152	146.4	19.2	-39.3	0	0	0	0	110.1
625	T	26.5	Very low	28.4	Very low	131 Å²	131	140.3 Å²	140.3	80%	0.804	80%	0.801	S	S	*	*			trans	-76.4	135.4	167.3	-45.4	0	0	0	0	110.9
626	I	28.7	Very low	28.4	Very low	148 Å²	148	140.2 Å²	140.2	76%	0.759	80%	0.8	S	S	*	*			trans	-131.6	132.4	166.7	-63	-178	0	0	0	109.5
627	T	27.3	Very low	28.3	Very low	120 Å²	120	142.5 Å²	142.5	74%	0.736	80%	0.799	S	S	*	*			trans	-96.1	136	177.8	-38.1	0	0	0	0	110.2
628	T	26.7	Very low	27.5	Very low	133 Å²	133	143.2 Å²	143.2	82%	0.816	80%	0.802	S	S	*	*			trans	-139.1	124.1	164.2	7.4	0	0	0	0	110.5
629	T	28.2	Very low	27.4	Very low	122 Å²	122	140.5 Å²	140.5	75%	0.748	79%	0.793	S	S	*	*			trans	-103.3	127.8	-178.3	-45.3	0	0	0	0	109.8
630	T	27.4	Very low	27.3	Very low	136 Å²	136	140.3 Å²	140.3	83%	0.834	79%	0.792	S	S	*	*			trans	-146	133.5	163.1	-11.8	0	0	0	0	110.7
631	L	28.9	Very low	27.4	Very low	145 Å²	145	142.6 Å²	142.6	76%	0.759	79%	0.792	S	S	*	*			trans	-75.5	148.7	173	-73.1	67.9	0	0	0	109.7
632	M	28.2	Very low	27.4	Very low	197 Å²	197	138.3 Å²	138.3	97%	0.97	79%	0.788	S	S	*	*			trans	-128	140.6	145.1	-78.9	-154	167.8	0	0	109.9
633	T	26.8	Very low	27.6	Very low	112 Å²	112	136.3 Å²	136.3	69%	0.687	79%	0.788	S	S	*	*			trans	-92.5	136.8	-165.3	46.7	0	0	0	0	112.1	T635	T633-T635 PolarHBondContact O-N 3.05Å
634	T	28.5	Very low	27.8	Very low	144 Å²	144	138.4 Å²	138.4	88%	0.883	79%	0.791	S	S	*	*			trans	-65.4	120.2	163.7	48.7	0	0	0	0	110.5
635	T	26.4	Very low	28.1	Very low	107 Å²	107	140 Å²	140	66%	0.656	79%	0.792	S	S	*	*			trans	-123.8	106.2	169	37.3	0	0	0	0	110.7	T633	T633-T635 PolarHBondContact O-N 3.05Å
636	T	27.7	Very low	28.2	Very low	130 Å²	130	139 Å²	139	80%	0.798	79%	0.787	S	S	*	*			trans	-75.7	128.5	169.3	47.7	0	0	0	0	110.3
637	F	27.8	Very low	28.2	Very low	179 Å²	179	139 Å²	139	79%	0.785	79%	0.794	S	S	*	*			trans	-127.7	121.9	167.9	-86.7	-81.3	0	0	0	111.1
638	T	26.3	Very low	28.4	Very low	129 Å²	129	141.1 Å²	141.1	79%	0.791	80%	0.8	S	S	*	*			trans	-135.4	89.8	-179.8	51	0	0	0	0	110.5
639	T	26.3	Very low	29.4	Very low	120 Å²	120	139.5 Å²	139.5	74%	0.736	79%	0.792	S	S	*	*			trans	-172.2	146.6	173.6	27.6	0	0	0	0	108
640	T	26.2	Very low	29.4	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	80%	0.797	S	S	*	*			cis	-158.8	155.9	-19.1	2.2	0	0	0	0	107.4
641	Q	30.3	Very low	29.5	Very low	190 Å²	190	139.7 Å²	139.7	89%	0.888	79%	0.792	S	S	*	*			trans	-69.9	155.9	166.4	-70.3	175	-52.8	0	0	111.2
642	S	27.9	Very low	29.5	Very low	118 Å²	118	139 Å²	139	83%	0.825	79%	0.794	S	S	*	*			trans	-138.5	127.4	166.6	-176.5	0	0	0	0	109.6
643	T	31.9	Very low	29.5	Very low	132 Å²	132	135.1 Å²	135.1	81%	0.81	78%	0.782	S	S	*	*			trans	-147	139.4	176.9	45.6	0	0	0	0	111.4
644	M	29.6	Very low	29.5	Very low	166 Å²	166	137.3 Å²	137.3	82%	0.818	79%	0.789	S	S	*	*			trans	-144.8	150.1	168.3	-77	-170.9	176.4	0	0	105.8
645	M	32.5	Very low	29.4	Very low	150 Å²	150	136.2 Å²	136.2	74%	0.739	78%	0.782	S	S	*	*			cis	-158.9	171.8	0.1	-116.6	-178.1	-166.2	0	0	106.2
646	T	28.5	Very low	30.3	Very low	111 Å²	111	136 Å²	136	68%	0.681	78%	0.782	S	S	*	*			cis	-156.9	154.3	10.6	-17.4	0	0	0	0	108.8
647	T	28.9	Very low	30.3	Very low	148 Å²	148	135.3 Å²	135.3	91%	0.908	78%	0.778	S	S	*	*			trans	176.6	162.8	132	27.5	0	0	0	0	111.5
648	L	30.8	Very low	30.3	Very low	164 Å²	164	133.8 Å²	133.8	86%	0.859	78%	0.784	S	S	*	*			trans	-165.8	159.4	-157.9	-167.2	71.5	0	0	0	109.5
649	P	48.7	Very low	30.4	Very low	100 Å²	100	136.9 Å²	136.9	65%	0.649	79%	0.786	S	S	*	*			cis	-126	-174.3	-44.2	39.2	-25	0	0	0	112.5
650	T	27.5	Very low	30.5	Very low	140 Å²	140	137.6 Å²	137.6	86%	0.859	79%	0.79	S	S	*	*				-150.9	154.5	126.1	-4.9	0	0	0	0	111.8
651	T	29.5	Very low	30.4	Very low	121 Å²	121	137.4 Å²	137.4	74%	0.742	79%	0.789	S	S	*	*			trans	-72.4	164.9	-177.8	42.3	0	0	0	0	111.9
652	T	28.8	Very low	30.3	Very low	130 Å²	130	134.2 Å²	134.2	80%	0.798	78%	0.783	S	S	*	*				-159.6	178.3	51.9	-44	0	0	0	0	112.4
653	T	28.1	Very low	30.3	Very low	116 Å²	116	133 Å²	133	71%	0.712	78%	0.775	S	S	*	*			trans	-119.6	169.6	-149.6	43.5	0	0	0	0	116.4
654	L	26.8	Very low	30.2	Very low	158 Å²	158	134.2 Å²	134.2	83%	0.827	77%	0.774	S	S	*	*			trans	90	161.8	151.8	-80.3	160.7	0	0	0	121
655	T	26.7	Very low	31	Very low	121 Å²	121	131.5 Å²	131.5	74%	0.742	77%	0.769	S	S	*	*			trans	-142.9	-165.8	-153.4	51.7	0	0	0	0	109.2
656	P	46.1	Very low	30.7	Very low	102 Å²	102	135 Å²	135	66%	0.662	77%	0.774	S	S	*	*				-134.5	-172.6	-68.4	40.4	-23.8	0	0	0	114.2
657	T	27.5	Very low	30.7	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	78%	0.777	S	S	*	*			trans	60.6	128.4	152.9	51.1	0	0	0	0	122
658	T	27.3	Very low	30.6	Very low	147 Å²	147	133.4 Å²	133.4	90%	0.902	78%	0.775	S	S	*	*				-128.2	155.5	127	39.6	0	0	0	0	110.1
659	K	28.2	Very low	30.7	Very low	193 Å²	193	134.9 Å²	134.9	84%	0.839	77%	0.774	S	S	*	*			trans	-117.9	-174.9	-178.6	-91.9	-173.9	177.1	178.7	0	110.2
660	V	28.1	Very low	30.6	Very low	135 Å²	135	135.3 Å²	135.3	82%	0.818	78%	0.777	S	S	*	*			trans	106.7	128.1	159.5	-179.1	0	0	0	0	112
661	T	25.3	Very low	30.8	Very low	127 Å²	127	134.1 Å²	134.1	78%	0.779	77%	0.769	S	S	*	*			cis	-137.3	172.7	20.2	-24.9	0	0	0	0	114.9
662	T	28.3	Very low	30.8	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	77%	0.766	S	S	*	*			trans	-73.7	173.4	167.1	46.3	0	0	0	0	113.4
663	S	26.7	Very low	30.9	Very low	93 Å²	93	133.3 Å²	133.3	65%	0.65	77%	0.765	S	S	*	*			cis	-169.3	144.3	4.8	23.9	0	0	0	0	113.9
664	I	30.5	Very low	31.1	Very low	157 Å²	157	133.3 Å²	133.3	81%	0.805	77%	0.765	S	S	*	*				33.7	141.7	116.7	-43.7	174.4	0	0	0	118.9
665	P	45.6	Very low	31.2	Very low	108 Å²	108	132.4 Å²	132.4	70%	0.701	76%	0.76	S	S	*	*			cis	-144.6	-176.4	-24.3	42.6	-23.5	0	0	0	118.1
666	R	27.6	Very low	31.3	Very low	225 Å²	225	137.2 Å²	137.2	85%	0.849	76%	0.764	S	S	*	*			trans	78.2	131.7	139.8	-101	-168.3	175.3	-179.5	-1.8	125.4
667	T	27.8	Very low	30.5	Very low	121 Å²	121	137.9 Å²	137.9	74%	0.742	77%	0.767	S	S	*	*			trans	65.7	111.5	140.9	46	0	0	0	0	125.6
668	A	27.6	Very low	30.6	Very low	104 Å²	104	138.2 Å²	138.2	86%	0.86	77%	0.769	S	S	*	*				76.6	154	119.3	0	0	0	0	0	124.7
669	K	32	Very low	30.6	Very low	194 Å²	194	138.7 Å²	138.7	84%	0.843	77%	0.765	S	S	*	*			trans	-73.2	177.7	179.5	-106.6	-174.7	178.4	-177.5	0	113.9
670	P	46.2	Very low	31.5	Very low	110 Å²	110	134.2 Å²	134.2	71%	0.714	76%	0.756	S	S	*	*			cis	-139.7	-162.8	30.3	42.8	-20.7	0	0	0	114.9
671	T	32.7	Very low	31.5	Very low	114 Å²	114	133.2 Å²	133.2	70%	0.699	75%	0.75	S	S	*	*			cis	-128.8	-105.2	0.9	-33.1	0	0	0	0	113.1
672	T	28.4	Very low	31.5	Very low	110 Å²	110	133 Å²	133	68%	0.675	75%	0.749	S	S	*	*			cis	-163.3	119.1	-9.7	-32.7	0	0	0	0	113.3
673	T	31.6	Very low	31.5	Very low	125 Å²	125	133.7 Å²	133.7	77%	0.767	75%	0.753	S	S	*	*			trans	56.2	155.2	160.3	40.9	0	0	0	0	121
674	T	31.5	Very low	31.5	Very low	116 Å²	116	137.7 Å²	137.7	71%	0.712	76%	0.762	S	S	*	*			cis	-156.7	164.7	14.5	-13.1	0	0	0	0	113.5
675	L	28.6	Very low	32.3	Very low	139 Å²	139	135.2 Å²	135.2	73%	0.728	76%	0.755	S	S	*	*			trans	68.8	112.5	156.6	-69.2	159.4	0	0	0	118.5
676	R	29.8	Very low	31.5	Very low	221 Å²	221	138.6 Å²	138.6	83%	0.834	76%	0.762	S	S	*	*				70.1	133.4	95.2	-91.3	-165.1	179.6	-176.6	-0.6	115
677	T	29.3	Very low	31.4	Very low	117 Å²	117	134.1 Å²	134.1	72%	0.718	76%	0.76	S	S	*	*			cis	-156.6	-160.5	-9.7	-2.8	0	0	0	0	107.5
678	T	29.3	Very low	32	Very low	124 Å²	124	133.5 Å²	133.5	76%	0.761	76%	0.758	S	S	*	*			cis	-150.7	-127.8	19.5	-37.1	0	0	0	0	111.5
679	L	27.3	Very low	32	Very low	157 Å²	157	133.7 Å²	133.7	82%	0.822	75%	0.749	S	S	*	*			trans	-157.1	176.1	-177.6	-126.2	72.4	0	0	0	107.7
680	P	47.1	Very low	31.7	Very low	99 Å²	99	131 Å²	131	64%	0.643	75%	0.748	S	S	*	*			cis	-138.1	-167.2	-14.2	29.2	-4.3	0	0	0	115.3
681	T	27.5	Very low	30.7	Very low	114 Å²	114	130.9 Å²	130.9	70%	0.699	75%	0.75	S	S	*	*			trans	85.9	113.5	140	26.2	0	0	0	0	125
682	T	26.8	Very low	30.5	Very low	123 Å²	123	131.5 Å²	131.5	76%	0.755	75%	0.754	S	S	*	*			trans	65.1	155.1	134	36	0	0	0	0	126
683	T	28.7	Very low	31.3	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	76%	0.756	S	S	*	*			trans	88	127.6	149	26.7	0	0	0	0	122.6
684	Q	25.3	Very low	31	Very low	178 Å²	178	134.8 Å²	134.8	83%	0.832	76%	0.76	S	S	*	*			trans	-43.6	174.9	151.8	-86.6	-173.7	-31.3	0	0	115.4
685	P	48.2	Very low	30.9	Very low	104 Å²	104	135.6 Å²	135.6	68%	0.675	76%	0.764	S	S	*	*			cis	-136.6	-137.7	-34.6	38	-18.2	0	0	0	110.9
686	E	27.5	Very low	30.8	Very low	180 Å²	180	135 Å²	135	84%	0.841	76%	0.762	S	S	*	*			trans	98	142.6	161.6	-59.3	-170.4	165.4	0	0	121.2
687	T	27	Very low	30.6	Very low	130 Å²	130	134.6 Å²	134.6	80%	0.798	76%	0.762	S	S	*	*			trans	-125.4	166.3	161.8	52.2	0	0	0	0	105.5
688	P	40.8	Very low	30.4	Very low	108 Å²	108	136 Å²	136	70%	0.701	77%	0.771	S	S	*	*			cis	-156.8	-158.7	38.9	39.7	-13.2	0	0	0	117.6
689	T	25.7	Very low	30.2	Very low	109 Å²	109	136 Å²	136	67%	0.669	78%	0.775	S	S	*	*			trans	74.9	113.4	146.7	39.5	0	0	0	0	123.5
690	T	25.9	Very low	30.2	Very low	136 Å²	136	136.5 Å²	136.5	83%	0.834	78%	0.776	S	S	*	*			trans	59.4	149.9	131.6	58.1	0	0	0	0	121.3
691	S	25.9	Very low	29.7	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	78%	0.784	S	S	*	*			cis	-153.3	172.9	18	48.4	0	0	0	0	114.8
692	T	29.3	Very low	29.8	Very low	127 Å²	127	141 Å²	141	78%	0.779	79%	0.791	S	S	*	*			trans	-55.8	166.9	167.4	42.9	0	0	0	0	115.1
693	P	43.4	Very low	30.3	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	79%	0.793	S	S	*	*			cis	-156	160.5	49.6	36.4	-11.7	0	0	0	122.5
694	F	26.5	Very low	30.5	Very low	193 Å²	193	144.1 Å²	144.1	85%	0.846	80%	0.795	S	S	*	*			trans	52.9	151.8	152.2	-78.4	-102.6	0	0	0	120.1
695	V	29.5	Very low	31	Very low	133 Å²	133	143.7 Å²	143.7	81%	0.806	80%	0.798	S	S	*	*				-156.3	162.3	56.3	166.2	0	0	0	0	112.2
696	N	25.3	Very low	30.7	Very low	127 Å²	127	143 Å²	143	68%	0.679	80%	0.795	S	S	*	*			trans	-48.7	139.1	173.8	-73.6	-8.7	0	0	0	115.2
697	Y	27.3	Very low	31.1	Very low	213 Å²	213	143.3 Å²	143.3	84%	0.835	79%	0.79	S	S	*	*				84.3	113.4	54.3	-81.6	-62.1	0	0	0	116.6
698	T	25.2	Very low	31.9	Very low	146 Å²	146	142 Å²	142	90%	0.896	78%	0.782	S	S	*	*			trans	-160.6	163.5	144.7	12.6	0	0	0	0	109.1
699	C	24.4	Very low	32	Very low	125 Å²	125	144 Å²	144	85%	0.845	78%	0.781	S	S	*	*			trans	-104.3	149.9	-147.6	-54.3	0	0	0	0	118.1
700	I	27	Very low	32.7	Very low	167 Å²	167	144.1 Å²	144.1	86%	0.856	77%	0.774	S	S	*	*			trans	-136.1	143.1	156.5	-66.5	-175.6	0	0	0	106.4
701	P	36.8	Very low	33.8	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-89.4	163.3	-155.1	34	-37.8	0	0	0	117.8
702	E	29.9	Very low	34.9	Very low	183 Å²	183	141 Å²	141	86%	0.855	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-82.3	154.1	-177.3	-58.4	-174.8	138.1	0	0	116.1
703	P	36.4	Very low	35.8	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-89	147.1	153	35.5	-30.7	0	0	0	112.7	L705	P703-L705 PolarHBondContact O-N 3.35Å
704	K	33.6	Very low	36.1	Very low	205 Å²	205	144.5 Å²	144.5	89%	0.891	73%	0.732	S	S	*	*			trans	-75	115.4	-165.8	-60.9	172.9	-178.6	175.3	0	115
705	L	36.4	Very low	37.5	Very low	169 Å²	169	138.7 Å²	138.7	89%	0.885	71%	0.712	S	S	*	*			trans	-92.7	8.4	171.2	-155.9	68.6	0	0	0	114.6	P703	P703-L705 PolarHBondContact O-N 3.35Å
706	S	40.7	Very low	38.5	Very low	89 Å²	89	138.1 Å²	138.1	62%	0.622	70%	0.7	S	S	*	*	H	α-helix	trans	-74.7	-36.3	-168.3	175.8	0	0	0	0	115.6
707	Y	36.6	Very low	39.9	Very low	186 Å²	186	134.9 Å²	134.9	73%	0.729	68%	0.683	S	S	*	*	H	α-helix	trans	-72.7	-41	-160.8	-158.1	-111.9	0	0	0	114.2	H709 H710 I711	Y707-H709 PolarHBondContact O-N 3.45Å; Y707-H710 PolarHBondContact O-N 2.89Å; Y707-I711 HydrophobicContact CD1-CD1 3.87Å; Y707-I711 HydrophobicContact CE1-CD1 3.69Å; Y707-I711 PolarHBondContact O-N 3.46Å
708	V	44.3	Very low	41.1	Very low	104 Å²	104	128.4 Å²	128.4	63%	0.63	67%	0.668	S	S	*	*	H	α-helix	trans	-66	-39.6	-176.8	-179.2	0	0	0	0	111.6	H710 I711 N712	V708-H710 VanDerWaalsContact C-N 3.34Å; V708-H710 PolarHBondContact O-N 3.43Å; V708-I711 PolarHBondContact O-N 3.01Å; V708-N712 PolarHBondContact O-N 3.37Å
709	H	41.8	Very low	42.4	Very low	148 Å²	148	127 Å²	127	69%	0.685	65%	0.649	S	S	*	*	H	α-helix	trans	-67.5	-35.9	-179.3	-157.1	67.3	0	0	0	111.7	Y707 N712 R713	Y707-H709 PolarHBondContact O-N 3.45Å; H709-N712 PolarHBondContact O-N 3.02Å; H709-R713 PolarHBondContact O-N 2.95Å
710	H	41	Very low	44.4	Very low	112 Å²	112	125.7 Å²	125.7	52%	0.519	63%	0.632	S	S	.	*	H	α-helix	trans	-69.8	-34.2	177.8	-157.1	-23.4	0	0	0	112.9	Y707 V708 K714	Y707-H710 PolarHBondContact O-N 2.89Å; V708-H710 VanDerWaalsContact C-N 3.34Å; V708-H710 PolarHBondContact O-N 3.43Å; H710-K714 PolarHBondContact O-N 3.16Å
711	I	49.5	Very low	46.2	Very low	85 Å²	85	124.5 Å²	124.5	44%	0.436	62%	0.617	S	S	.	*	H	α-helix	trans	-67.2	-49.5	172.7	-67.7	173.5	0	0	0	110.2	Y707 V708 R713 K714 V715	Y707-I711 HydrophobicContact CD1-CD1 3.87Å; Y707-I711 HydrophobicContact CE1-CD1 3.69Å; Y707-I711 PolarHBondContact O-N 3.46Å; V708-I711 PolarHBondContact O-N 3.01Å; I711-R713 VanDerWaalsContact C-N 3.28Å; I711-R713 PolarHBondContact O-N 3.3Å; I711-K714 PolarHBondContact O-N 3.18Å; I711-K714 VanDerWaalsContact O-N 3.14Å; I711-V715 HydrophobicContact CG2-CG2 4.28Å; I711-V715 WeakPolarHBondContact O-CG2 3Å; I711-V715 PolarHBondContact O-N 3.45Å
712	N	48.4	Very low	47.2	Very low	95 Å²	95	122.2 Å²	122.2	51%	0.508	60%	0.601	S	S	.	*	H	α-helix	trans	-58	-39.6	178.7	-86.6	-11.3	0	0	0	112.4	V708 H709 V715 Q716	V708-N712 PolarHBondContact O-N 3.37Å; H709-N712 PolarHBondContact O-N 3.02Å; N712-V715 PolarHBondContact O-N 3.29Å; N712-Q716 WeakPolarHBondContact O-CG 3.15Å; N712-Q716 PolarHBondContact O-N 3.36Å
713	R	47.7	Very low	48.6	Very low	173 Å²	173	119.5 Å²	119.5	65%	0.653	59%	0.59	S	S	*	*	H	α-helix	trans	-59.5	-52.5	173.8	-168.9	171.3	-178.5	168	1.7	111.6	H709 I711 V715 Q716 D717	H709-R713 PolarHBondContact O-N 2.95Å; I711-R713 VanDerWaalsContact C-N 3.28Å; I711-R713 PolarHBondContact O-N 3.3Å; R713-V715 VanDerWaalsContact C-N 3.26Å; R713-V715 PolarHBondContact O-N 2.88Å; R713-Q716 PolarHBondContact O-N 3Å; R713-D717 PolarHBondContact O-N 2.91Å; R713-D717 VanDerWaalsContact O-OD2 3.12Å
714	K	50	Low	50.1	Low	138 Å²	138	117.1 Å²	117.1	60%	0.6	57%	0.569	S	S	*	*	H	α-helix	trans	-60.5	-30.6	177.3	-76.4	-168.4	174	-172.5	0	113.8	H710 I711 C718	H710-K714 PolarHBondContact O-N 3.16Å; I711-K714 PolarHBondContact O-N 3.18Å; I711-K714 VanDerWaalsContact O-N 3.14Å; K714-C718 VanDerWaalsContact O-CB 3.23Å; K714-C718 WeakPolarHBondContact O-CB 3.28Å; K714-C718 PolarHBondContact O-N 2.97Å
715	V	56.1	Low	51.5	Low	71 Å²	71	115 Å²	115	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-70.7	-38.7	174.5	170.7	0	0	0	0	111.5	I711 N712 R713 C718 K719	I711-V715 HydrophobicContact CG2-CG2 4.28Å; I711-V715 WeakPolarHBondContact O-CG2 3Å; I711-V715 PolarHBondContact O-N 3.45Å; N712-V715 PolarHBondContact O-N 3.29Å; R713-V715 VanDerWaalsContact C-N 3.26Å; R713-V715 PolarHBondContact O-N 2.88Å; V715-C718 PolarHBondContact O-N 3.37Å; V715-K719 PolarHBondContact O-N 2.79Å
716	Q	50.2	Low	52.8	Low	120 Å²	120	110.6 Å²	110.6	56%	0.561	54%	0.537	S	S	*	.	H	α-helix	trans	-71	-40.3	173.6	-61.5	-66.6	15.7	0	0	111.8	N712 R713 C718 K719 M720	N712-Q716 WeakPolarHBondContact O-CG 3.15Å; N712-Q716 PolarHBondContact O-N 3.36Å; R713-Q716 PolarHBondContact O-N 3Å; Q716-C718 VanDerWaalsContact C-N 3.29Å; Q716-C718 PolarHBondContact O-N 2.81Å; Q716-K719 PolarHBondContact O-N 3.27Å; Q716-M720 WeakPolarHBondContact O-CB 3.36Å; Q716-M720 PolarHBondContact O-N 3.16Å
717	D	55.2	Low	54	Low	60 Å²	60	109.6 Å²	109.6	32%	0.321	53%	0.53	S	S	.	.	H	α-helix	trans	-57	-45.5	171.9	-59	-38.4	0	0	0	110.2	R713 M720 W721	R713-D717 PolarHBondContact O-N 2.91Å; R713-D717 VanDerWaalsContact O-OD2 3.12Å; D717-M720 PolarHBondContact O-N 3.36Å; D717-W721 PolarHBondContact O-N 3.12Å
718	C	51.8	Low	55.5	Low	76 Å²	76	105.7 Å²	105.7	51%	0.514	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-40.7	177	-170.6	0	0	0	0	112.7	K714 V715 Q716 T722	K714-C718 VanDerWaalsContact O-CB 3.23Å; K714-C718 WeakPolarHBondContact O-CB 3.28Å; K714-C718 PolarHBondContact O-N 2.97Å; V715-C718 PolarHBondContact O-N 3.37Å; Q716-C718 VanDerWaalsContact C-N 3.29Å; Q716-C718 PolarHBondContact O-N 2.81Å; C718-T722 WeakPolarHBondContact O-CB 3.43Å; C718-T722 PolarHBondContact O-N 3.42Å; C718-T722 PolarHBondContact O-OG1 3.14Å
719	K	52.8	Low	56.6	Low	117 Å²	117	105.2 Å²	105.2	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-45.9	172.9	-80.8	-178.6	173.1	-176.2	0	112	V715 Q716 T722 M723	V715-K719 PolarHBondContact O-N 2.79Å; Q716-K719 PolarHBondContact O-N 3.27Å; K719-T722 PolarHBondContact O-N 2.87Å; K719-M723 WeakPolarHBondContact O-CG 3.29Å; K719-M723 PolarHBondContact O-N 2.93Å
720	M	66	Low	57.8	Low	98 Å²	98	100.9 Å²	100.9	48%	0.483	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-49.3	177.9	-179.5	176.7	65.4	0	0	111.2	Q716 D717 T722 M723 I724	Q716-M720 WeakPolarHBondContact O-CB 3.36Å; Q716-M720 PolarHBondContact O-N 3.16Å; D717-M720 PolarHBondContact O-N 3.36Å; M720-T722 VanDerWaalsContact C-N 3.35Å; M720-T722 PolarHBondContact O-N 2.98Å; M720-M723 PolarHBondContact O-N 2.95Å; M720-I724 HydrophobicContact CG-CD1 4.03Å; M720-I724 VanDerWaalsContact O-CG1 3.31Å; M720-I724 WeakPolarHBondContact O-CG1 3.47Å; M720-I724 PolarHBondContact O-N 3.49Å
721	W	65.4	Low	59.4	Low	142 Å²	142	99.8 Å²	99.8	54%	0.538	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-40.7	174.6	-77.7	112.8	0	0	0	112.5	D717 M723 I724 Y725	D717-W721 PolarHBondContact O-N 3.12Å; W721-M723 PolarHBondContact O-N 3.47Å; W721-I724 HydrophobicContact CE3-CD1 4.25Å; W721-I724 HydrophobicContact CZ3-CD1 4.5Å; W721-I724 PolarHBondContact O-N 3.31Å; W721-Y725 HydrophobicContact CE3-CE2 4.28Å; W721-Y725 WeakPolarHBondContact O-CD2 3.4Å; W721-Y725 PolarHBondContact O-N 2.73Å
722	T	57	Low	60.4	Low	76 Å²	76	101.7 Å²	101.7	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-45.5	175.5	-57	0	0	0	0	111	C718 K719 M720 I724 Y725 T726	C718-T722 WeakPolarHBondContact O-CB 3.43Å; C718-T722 PolarHBondContact O-N 3.42Å; C718-T722 PolarHBondContact O-OG1 3.14Å; K719-T722 PolarHBondContact O-N 2.87Å; M720-T722 VanDerWaalsContact C-N 3.35Å; M720-T722 PolarHBondContact O-N 2.98Å; T722-I724 PolarHBondContact O-N 3.11Å; T722-Y725 PolarHBondContact O-N 3.02Å; T722-T726 PolarHBondContact O-N 2.9Å; T722-T726 PolarHBondContact O-OG1 3.26Å; T722-T726 VanDerWaalsContact O-OG1 3.11Å
723	M	60.7	Low	61.6	Low	126 Å²	126	101.3 Å²	101.3	62%	0.621	50%	0.504	S	S	*	.	H	α-helix	trans	-60.4	-44.2	175.6	-72.9	176.3	174.9	0	0	111.6	K719 M720 W721 T726 S727	K719-M723 WeakPolarHBondContact O-CG 3.29Å; K719-M723 PolarHBondContact O-N 2.93Å; M720-M723 PolarHBondContact O-N 2.95Å; W721-M723 PolarHBondContact O-N 3.47Å; M723-T726 WeakPolarHBondContact CA-OG1 3.12Å; M723-T726 PolarHBondContact O-N 3.22Å; M723-T726 PolarHBondContact O-OG1 3.33Å; M723-S727 WeakPolarHBondContact O-CB 3.04Å; M723-S727 PolarHBondContact O-N 3.11Å; M723-S727 PolarHBondContact O-OG 3.36Å
724	I	66.9	Low	62.5	Low	69 Å²	69	95.8 Å²	95.8	35%	0.354	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-48.3	176.1	-68.6	163.8	0	0	0	110.8	M720 W721 T722 T726 S727 L728	M720-I724 HydrophobicContact CG-CD1 4.03Å; M720-I724 VanDerWaalsContact O-CG1 3.31Å; M720-I724 WeakPolarHBondContact O-CG1 3.47Å; M720-I724 PolarHBondContact O-N 3.49Å; W721-I724 HydrophobicContact CE3-CD1 4.25Å; W721-I724 HydrophobicContact CZ3-CD1 4.5Å; W721-I724 PolarHBondContact O-N 3.31Å; T722-I724 PolarHBondContact O-N 3.11Å; I724-T726 PolarHBondContact O-N 3.03Å; I724-S727 PolarHBondContact O-N 3.41Å; I724-L728 HydrophobicContact CG2-CD1 3.88Å; I724-L728 HydrophobicContact CG2-CG 4.43Å; I724-L728 WeakPolarHBondContact O-CB 3.24Å; I724-L728 WeakPolarHBondContact O-CG 3.45Å; I724-L728 PolarHBondContact O-N 2.89Å
725	Y	64	Low	63.4	Low	161 Å²	161	93 Å²	93	63%	0.631	49%	0.486	S	S	*	.	H	α-helix	trans	-63.3	-41.1	177.8	-83.4	-66.8	0	0	0	112.8	W721 T722 L728 L729	W721-Y725 HydrophobicContact CE3-CE2 4.28Å; W721-Y725 WeakPolarHBondContact O-CD2 3.4Å; W721-Y725 PolarHBondContact O-N 2.73Å; T722-Y725 PolarHBondContact O-N 3.02Å; Y725-L728 PolarHBondContact O-N 2.94Å; Y725-L729 WeakPolarHBondContact O-CB 3.49Å; Y725-L729 PolarHBondContact O-N 2.96Å
726	T	63.4	Low	64	Low	77 Å²	77	92.5 Å²	92.5	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-65.3	-37.9	174.9	50.4	0	0	0	0	112.5	T722 M723 I724 L729 V730	T722-T726 PolarHBondContact O-N 2.9Å; T722-T726 PolarHBondContact O-OG1 3.26Å; T722-T726 VanDerWaalsContact O-OG1 3.11Å; M723-T726 WeakPolarHBondContact CA-OG1 3.12Å; M723-T726 PolarHBondContact O-N 3.22Å; M723-T726 PolarHBondContact O-OG1 3.33Å; I724-T726 PolarHBondContact O-N 3.03Å; T726-L729 PolarHBondContact O-N 3.36Å; T726-V730 WeakPolarHBondContact O-CG2 3.45Å; T726-V730 PolarHBondContact O-N 3.19Å
727	S	65.7	Low	64.9	Low	68 Å²	68	91.5 Å²	91.5	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-66.5	-44.8	176.4	-65.4	0	0	0	0	111.7	M723 I724 L729 V730 V731	M723-S727 WeakPolarHBondContact O-CB 3.04Å; M723-S727 PolarHBondContact O-N 3.11Å; M723-S727 PolarHBondContact O-OG 3.36Å; I724-S727 PolarHBondContact O-N 3.41Å; S727-L729 VanDerWaalsContact C-N 3.34Å; S727-L729 PolarHBondContact O-N 2.03Å; S727-V730 PolarHBondContact O-N 3.25Å; S727-V731 WeakPolarHBondContact O-CG2 3.42Å; S727-V731 PolarHBondContact O-N 3.48Å
728	L	67.2	Low	65.9	Low	103 Å²	103	93.4 Å²	93.4	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-41.4	175	-71.5	170.6	0	0	0	111.9	I724 Y725 V730 V731 E732	I724-L728 HydrophobicContact CG2-CD1 3.88Å; I724-L728 HydrophobicContact CG2-CG 4.43Å; I724-L728 WeakPolarHBondContact O-CB 3.24Å; I724-L728 WeakPolarHBondContact O-CG 3.45Å; I724-L728 PolarHBondContact O-N 2.89Å; Y725-L728 PolarHBondContact O-N 2.94Å; L728-V730 PolarHBondContact O-N 2.86Å; L728-V731 PolarHBondContact O-N 2.73Å; L728-E732 PolarHBondContact O-N 3.33Å
729	L	68.3	Low	66.6	Low	94 Å²	94	95.1 Å²	95.1	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-39.8	175.7	-174.1	67.7	0	0	0	112	Y725 T726 S727 E732 I733	Y725-L729 WeakPolarHBondContact O-CB 3.49Å; Y725-L729 PolarHBondContact O-N 2.96Å; T726-L729 PolarHBondContact O-N 3.36Å; S727-L729 VanDerWaalsContact C-N 3.34Å; S727-L729 PolarHBondContact O-N 2.03Å; L729-E732 PolarHBondContact O-N 3.16Å; L729-I733 HydrophobicContact CD1-CD1 4.35Å; L729-I733 HydrophobicContact CG-CD1 3.98Å; L729-I733 WeakPolarHBondContact O-CB 3.47Å; L729-I733 VanDerWaalsContact O-CG1 3.26Å; L729-I733 WeakPolarHBondContact O-CG1 3.44Å; L729-I733 PolarHBondContact O-N 3.09Å
730	V	67.3	Low	67.5	Low	58 Å²	58	93 Å²	93	35%	0.352	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-38.7	173.8	169	0	0	0	0	111.4	L33 T726 S727 L728 T734	L33-V730 HydrophobicContact CD1-CG1 4.26Å; T726-V730 WeakPolarHBondContact O-CG2 3.45Å; T726-V730 PolarHBondContact O-N 3.19Å; S727-V730 PolarHBondContact O-N 3.25Å; L728-V730 PolarHBondContact O-N 2.86Å; V730-T734 HydrophobicContact CG1-CG2 4.37Å; V730-T734 WeakPolarHBondContact O-CB 3.41Å; V730-T734 VanDerWaalsContact O-CG2 3.3Å; V730-T734 WeakPolarHBondContact O-CG2 3.34Å; V730-T734 PolarHBondContact O-N 2.84Å; V730-T734 PolarHBondContact O-OG1 3.43Å
731	V	74.5	Confident	67.5	Low	88 Å²	88	95.2 Å²	95.2	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-42.9	173.2	171.6	0	0	0	0	111.4	S727 L728 T734 C735	S727-V731 WeakPolarHBondContact O-CG2 3.42Å; S727-V731 PolarHBondContact O-N 3.48Å; L728-V731 PolarHBondContact O-N 2.73Å; V731-T734 WeakPolarHBondContact CA-OG1 3.25Å; V731-T734 PolarHBondContact O-N 2.86Å; V731-T734 PolarHBondContact O-OG1 3.44Å; V731-T734 VanDerWaalsContact O-OG1 3.11Å; V731-C735 WeakPolarHBondContact O-CB 3.29Å; V731-C735 PolarHBondContact O-N 2.97Å
732	E	69.8	Low	68	Low	125 Å²	125	94.5 Å²	94.5	58%	0.584	51%	0.506	S	S	*	.	H	α-helix	trans	-64.9	-44.4	177.5	-174.3	171.6	-150.8	0	0	112.1	L728 L729 S736	L728-E732 PolarHBondContact O-N 3.33Å; L729-E732 PolarHBondContact O-N 3.16Å; E732-S736 VanDerWaalsContact O-CB 3.27Å; E732-S736 WeakPolarHBondContact O-CB 3.43Å; E732-S736 PolarHBondContact O-N 3.27Å; E732-S736 PolarHBondContact O-OG 2.57Å
733	I	73	Confident	68.4	Low	88 Å²	88	94.5 Å²	94.5	45%	0.451	51%	0.506	S	S	.	.	H	α-helix	trans	-64.7	-45.6	176.9	-69.6	167.3	0	0	0	111	L729 S736 L737	L729-I733 HydrophobicContact CD1-CD1 4.35Å; L729-I733 HydrophobicContact CG-CD1 3.98Å; L729-I733 WeakPolarHBondContact O-CB 3.47Å; L729-I733 VanDerWaalsContact O-CG1 3.26Å; L729-I733 WeakPolarHBondContact O-CG1 3.44Å; L729-I733 PolarHBondContact O-N 3.09Å; I733-S736 PolarHBondContact O-N 3.21Å; I733-L737 HydrophobicContact CG2-CD1 3.99Å; I733-L737 WeakPolarHBondContact O-CB 3.14Å; I733-L737 VanDerWaalsContact O-CG 3.3Å; I733-L737 WeakPolarHBondContact O-CG 3.27Å; I733-L737 PolarHBondContact O-N 2.77Å
734	T	68.4	Low	68.9	Low	57 Å²	57	92.1 Å²	92.1	35%	0.35	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-41.7	179.3	51.1	0	0	0	0	111.9	V730 V731 S736 L737 V738	V730-T734 HydrophobicContact CG1-CG2 4.37Å; V730-T734 WeakPolarHBondContact O-CB 3.41Å; V730-T734 VanDerWaalsContact O-CG2 3.3Å; V730-T734 WeakPolarHBondContact O-CG2 3.34Å; V730-T734 PolarHBondContact O-N 2.84Å; V730-T734 PolarHBondContact O-OG1 3.43Å; V731-T734 WeakPolarHBondContact CA-OG1 3.25Å; V731-T734 PolarHBondContact O-N 2.86Å; V731-T734 PolarHBondContact O-OG1 3.44Å; V731-T734 VanDerWaalsContact O-OG1 3.11Å; T734-S736 PolarHBondContact O-N 3.41Å; T734-L737 PolarHBondContact O-N 3.14Å; T734-V738 WeakPolarHBondContact O-CG2 3.27Å; T734-V738 PolarHBondContact O-N 3.23Å
735	C	67	Low	69	Low	78 Å²	78	92.3 Å²	92.3	53%	0.527	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-46	172.8	-169.4	0	0	0	0	111.2	V731 L737 V738 L739	V731-C735 WeakPolarHBondContact O-CB 3.29Å; V731-C735 PolarHBondContact O-N 2.97Å; C735-L737 VanDerWaalsContact C-N 3.35Å; C735-L737 PolarHBondContact O-N 3.29Å; C735-V738 PolarHBondContact O-N 3.01Å; C735-L739 WeakPolarHBondContact O-CB 3.09Å; C735-L739 PolarHBondContact O-N 2.93Å
736	S	68.6	Low	69.1	Low	62 Å²	62	88 Å²	88	43%	0.434	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-40.8	176.4	-62.1	0	0	0	0	112.7	E732 I733 T734 L739 T740	E732-S736 VanDerWaalsContact O-CB 3.27Å; E732-S736 WeakPolarHBondContact O-CB 3.43Å; E732-S736 PolarHBondContact O-N 3.27Å; E732-S736 PolarHBondContact O-OG 2.57Å; I733-S736 PolarHBondContact O-N 3.21Å; T734-S736 PolarHBondContact O-N 3.41Å; S736-L739 PolarHBondContact O-N 2.82Å; S736-T740 VanDerWaalsContact O-CB 3.29Å; S736-T740 WeakPolarHBondContact O-CB 3.07Å; S736-T740 PolarHBondContact O-N 3.35Å; S736-T740 PolarHBondContact O-OG1 3.11Å
737	L	70.4	Confident	69.3	Low	99 Å²	99	91.4 Å²	91.4	52%	0.518	50%	0.495	S	S	.	.	H	α-helix	trans	-68.1	-36.3	175.7	-73.3	169.4	0	0	0	112.6	I733 T734 C735 K741	I733-L737 HydrophobicContact CG2-CD1 3.99Å; I733-L737 WeakPolarHBondContact O-CB 3.14Å; I733-L737 VanDerWaalsContact O-CG 3.3Å; I733-L737 WeakPolarHBondContact O-CG 3.27Å; I733-L737 PolarHBondContact O-N 2.77Å; T734-L737 PolarHBondContact O-N 3.14Å; C735-L737 VanDerWaalsContact C-N 3.35Å; C735-L737 PolarHBondContact O-N 3.29Å; L737-K741 WeakPolarHBondContact O-CB 3.46Å; L737-K741 WeakPolarHBondContact O-CG 3.39Å; L737-K741 PolarHBondContact O-N 3.29Å
738	V	76.4	Confident	69.5	Low	99 Å²	99	95.6 Å²	95.6	60%	0.6	50%	0.5	S	S	*	.	H	α-helix	trans	-67.2	-47	173.3	169.9	0	0	0	0	110.5	T734 C735 T740 K741 F742	T734-V738 WeakPolarHBondContact O-CG2 3.27Å; T734-V738 PolarHBondContact O-N 3.23Å; C735-V738 PolarHBondContact O-N 3.01Å; V738-T740 VanDerWaalsContact C-N 3.31Å; V738-T740 PolarHBondContact O-N 3.02Å; V738-K741 PolarHBondContact O-N 3.49Å; V738-K741 VanDerWaalsContact O-N 3.16Å; V738-F742 WeakPolarHBondContact O-CB 3.37Å; V738-F742 PolarHBondContact O-N 2.84Å
739	L	66.6	Low	69.6	Low	112 Å²	112	96 Å²	96	59%	0.586	50%	0.503	S	S	*	.	H	α-helix	trans	-63.1	-37.1	178.6	-156.9	74.5	0	0	0	112	C735 S736 F742 T743	C735-L739 WeakPolarHBondContact O-CB 3.09Å; C735-L739 PolarHBondContact O-N 2.93Å; S736-L739 PolarHBondContact O-N 2.82Å; L739-F742 PolarHBondContact O-N 2.84Å; L739-T743 PolarHBondContact O-N 3.03Å; L739-T743 PolarHBondContact O-OG1 3.1Å
740	T	70.6	Confident	69.2	Low	73 Å²	73	95.5 Å²	95.5	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-43.4	172.8	-58.2	0	0	0	0	111.7	S736 V738 T743 I744	S736-T740 VanDerWaalsContact O-CB 3.29Å; S736-T740 WeakPolarHBondContact O-CB 3.07Å; S736-T740 PolarHBondContact O-N 3.35Å; S736-T740 PolarHBondContact O-OG1 3.11Å; V738-T740 VanDerWaalsContact C-N 3.31Å; V738-T740 PolarHBondContact O-N 3.02Å; T740-T743 WeakPolarHBondContact CA-OG1 3.2Å; T740-T743 PolarHBondContact O-OG1 3.18Å; T740-T743 VanDerWaalsContact O-OG1 3.08Å; T740-I744 HydrophobicContact CG2-CD1 3.91Å; T740-I744 WeakPolarHBondContact O-CB 3.36Å; T740-I744 VanDerWaalsContact O-CG1 3.24Å; T740-I744 WeakPolarHBondContact O-CG1 3.04Å; T740-I744 PolarHBondContact O-N 3.08Å
741	K	67.1	Low	69	Low	145 Å²	145	96.2 Å²	96.2	63%	0.63	50%	0.499	S	S	*	.	H	α-helix	trans	-65.6	-37.8	174.3	-78.1	175	179.4	172.5	0	112.1	L737 V738 S745	L737-K741 WeakPolarHBondContact O-CB 3.46Å; L737-K741 WeakPolarHBondContact O-CG 3.39Å; L737-K741 PolarHBondContact O-N 3.29Å; V738-K741 PolarHBondContact O-N 3.49Å; V738-K741 VanDerWaalsContact O-N 3.16Å; K741-S745 WeakPolarHBondContact O-CB 3.38Å; K741-S745 PolarHBondContact O-N 3.36Å; K741-S745 PolarHBondContact O-OG 2.89Å
742	F	74.8	Confident	68.4	Low	127 Å²	127	101 Å²	101	56%	0.557	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-48.7	176.4	-176.8	-98.6	0	0	0	111.5	V738 L739 I744 S745 L746	V738-F742 WeakPolarHBondContact O-CB 3.37Å; V738-F742 PolarHBondContact O-N 2.84Å; L739-F742 PolarHBondContact O-N 2.84Å; F742-I744 PolarHBondContact O-N 2.55Å; F742-S745 PolarHBondContact O-N 3.09Å; F742-L746 HydrophobicContact CE1-CD2 4.26Å; F742-L746 WeakPolarHBondContact O-CB 3.42Å; F742-L746 PolarHBondContact O-N 3.18Å
743	T	66.8	Low	67.5	Low	76 Å²	76	103.3 Å²	103.3	47%	0.466	51%	0.511	S	S	.	.	H	α-helix	trans	-63.5	-37.9	176.4	44	0	0	0	0	112.6	L739 T740 L746 Y747	L739-T743 PolarHBondContact O-N 3.03Å; L739-T743 PolarHBondContact O-OG1 3.1Å; T740-T743 WeakPolarHBondContact CA-OG1 3.2Å; T740-T743 PolarHBondContact O-OG1 3.18Å; T740-T743 VanDerWaalsContact O-OG1 3.08Å; T743-L746 PolarHBondContact O-N 3Å; T743-Y747 VanDerWaalsContact O-CB 3.24Å; T743-Y747 WeakPolarHBondContact O-CB 3.16Å; T743-Y747 PolarHBondContact O-N 3.07Å
744	I	69.8	Low	66.5	Low	75 Å²	75	104.8 Å²	104.8	39%	0.385	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-41	172.7	-70.5	168.4	0	0	0	111.7	T740 F742 R748	T740-I744 HydrophobicContact CG2-CD1 3.91Å; T740-I744 WeakPolarHBondContact O-CB 3.36Å; T740-I744 VanDerWaalsContact O-CG1 3.24Å; T740-I744 WeakPolarHBondContact O-CG1 3.04Å; T740-I744 PolarHBondContact O-N 3.08Å; F742-I744 PolarHBondContact O-N 2.55Å; I744-R748 WeakPolarHBondContact O-CB 3.39Å; I744-R748 WeakPolarHBondContact O-CD 3.43Å; I744-R748 VanDerWaalsContact O-CG 3.22Å; I744-R748 WeakPolarHBondContact O-CG 3.2Å; I744-R748 PolarHBondContact O-N 2.92Å
745	S	69.7	Low	65.9	Low	74 Å²	74	111.2 Å²	111.2	52%	0.517	53%	0.534	S	S	.	.	H	α-helix	trans	-66.5	-42.3	174.5	-78.8	0	0	0	0	112.3	K741 F742 R748 L749	K741-S745 WeakPolarHBondContact O-CB 3.38Å; K741-S745 PolarHBondContact O-N 3.36Å; K741-S745 PolarHBondContact O-OG 2.89Å; F742-S745 PolarHBondContact O-N 3.09Å; S745-R748 PolarHBondContact O-N 3.27Å; S745-L749 WeakPolarHBondContact O-CB 3.4Å; S745-L749 PolarHBondContact O-N 3.06Å
746	L	66.9	Low	65.2	Low	70 Å²	70	114.9 Å²	114.9	37%	0.366	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-43.4	177.5	-171.6	67.1	0	0	0	111.2	F742 T743 R748 L749 L750	F742-L746 HydrophobicContact CE1-CD2 4.26Å; F742-L746 WeakPolarHBondContact O-CB 3.42Å; F742-L746 PolarHBondContact O-N 3.18Å; T743-L746 PolarHBondContact O-N 3Å; L746-R748 PolarHBondContact O-N 3.26Å; L746-L749 WeakPolarHBondContact O-CB 3.24Å; L746-L749 PolarHBondContact O-N 3.03Å; L746-L750 HydrophobicContact CG-CD1 4.25Å; L746-L750 WeakPolarHBondContact O-CB 3.27Å; L746-L750 VanDerWaalsContact O-CG 3.3Å; L746-L750 WeakPolarHBondContact O-CG 3.12Å; L746-L750 PolarHBondContact O-N 2.92Å
747	Y	66.9	Low	64.3	Low	148 Å²	148	116.9 Å²	116.9	58%	0.58	55%	0.551	S	S	*	*	H	α-helix	trans	-59.5	-44.8	172.9	-179.8	-98.5	0	0	0	111.7	T743 L749 L750 Q751	T743-Y747 VanDerWaalsContact O-CB 3.24Å; T743-Y747 WeakPolarHBondContact O-CB 3.16Å; T743-Y747 PolarHBondContact O-N 3.07Å; Y747-L749 VanDerWaalsContact C-N 3.32Å; Y747-L749 PolarHBondContact O-N 3.17Å; Y747-L750 PolarHBondContact O-N 3.36Å; Y747-Q751 VanDerWaalsContact O-CB 3.25Å; Y747-Q751 WeakPolarHBondContact O-CB 3.43Å; Y747-Q751 PolarHBondContact O-N 2.81Å
748	R	69.9	Low	63.2	Low	157 Å²	157	120.8 Å²	120.8	59%	0.592	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-33.1	174.8	-72.8	168.4	178.7	-178.7	0.6	112.8	I744 S745 L746 R752	I744-R748 WeakPolarHBondContact O-CB 3.39Å; I744-R748 WeakPolarHBondContact O-CD 3.43Å; I744-R748 VanDerWaalsContact O-CG 3.22Å; I744-R748 WeakPolarHBondContact O-CG 3.2Å; I744-R748 PolarHBondContact O-N 2.92Å; S745-R748 PolarHBondContact O-N 3.27Å; L746-R748 PolarHBondContact O-N 3.26Å; R748-R752 WeakPolarHBondContact O-CB 3.49Å; R748-R752 VanDerWaalsContact O-CG 3.3Å; R748-R752 WeakPolarHBondContact O-CG 3.34Å; R748-R752 PolarHBondContact O-N 3.31Å
749	L	69.7	Low	61.6	Low	112 Å²	112	126.3 Å²	126.3	59%	0.586	58%	0.576	S	S	*	*	H	α-helix	trans	-70.6	-44.3	175.5	-169.8	72	0	0	0	111.2	S745 L746 Y747 R752 R753	S745-L749 WeakPolarHBondContact O-CB 3.4Å; S745-L749 PolarHBondContact O-N 3.06Å; L746-L749 WeakPolarHBondContact O-CB 3.24Å; L746-L749 PolarHBondContact O-N 3.03Å; Y747-L749 VanDerWaalsContact C-N 3.32Å; Y747-L749 PolarHBondContact O-N 3.17Å; L749-R752 WeakPolarHBondContact O-CB 3.2Å; L749-R752 PolarHBondContact O-N 3.47Å; L749-R753 PolarHBondContact O-N 2.92Å
750	L	60	Low	60.4	Low	83 Å²	83	126.9 Å²	126.9	44%	0.435	59%	0.587	S	S	.	*	H	α-helix	trans	-61.9	-47.6	174	-70.5	168.3	0	0	0	111.1	L746 Y747 R752 R753 E754	L746-L750 HydrophobicContact CG-CD1 4.25Å; L746-L750 WeakPolarHBondContact O-CB 3.27Å; L746-L750 VanDerWaalsContact O-CG 3.3Å; L746-L750 WeakPolarHBondContact O-CG 3.12Å; L746-L750 PolarHBondContact O-N 2.92Å; Y747-L750 PolarHBondContact O-N 3.36Å; L750-R752 PolarHBondContact O-N 2.92Å; L750-R753 CarbonylContact O-C 3.45Å; L750-R753 WeakPolarHBondContact O-CA 3.25Å; L750-R753 WeakPolarHBondContact O-CB 3.13Å; L750-R753 PolarHBondContact O-N 3.16Å; L750-E754 WeakPolarHBondContact O-CB 3.46Å; L750-E754 PolarHBondContact O-N 2.83Å
751	Q	61.8	Low	59.2	Low	73 Å²	73	129.6 Å²	129.6	34%	0.341	60%	0.597	S	S	.	*	H	α-helix	trans	-63.7	-26.9	176.5	-167.1	179.4	51.5	0	0	113	Y747 R755	Y747-Q751 VanDerWaalsContact O-CB 3.25Å; Y747-Q751 WeakPolarHBondContact O-CB 3.43Å; Y747-Q751 PolarHBondContact O-N 2.81Å; Q751-R755 WeakPolarHBondContact O-CG 3.26Å; Q751-R755 PolarHBondContact O-N 3.44Å
752	R	61.9	Low	58	Low	187 Å²	187	131.5 Å²	131.5	71%	0.706	61%	0.606	S	S	*	*	H	α-helix	trans	-73.1	-42.8	168	-79.2	175.2	174.8	-164.4	-2.2	111.9	R748 L749 L750 E754 R755 M756	R748-R752 WeakPolarHBondContact O-CB 3.49Å; R748-R752 VanDerWaalsContact O-CG 3.3Å; R748-R752 WeakPolarHBondContact O-CG 3.34Å; R748-R752 PolarHBondContact O-N 3.31Å; L749-R752 WeakPolarHBondContact O-CB 3.2Å; L749-R752 PolarHBondContact O-N 3.47Å; L750-R752 PolarHBondContact O-N 2.92Å; R752-E754 VanDerWaalsContact C-N 3.34Å; R752-E754 PolarHBondContact O-N 3.26Å; R752-R755 PolarHBondContact O-N 2.77Å; R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 2.93Å
753	R	52.2	Low	56.4	Low	174 Å²	174	131 Å²	131	66%	0.657	61%	0.608	S	S	*	*	H	α-helix	trans	-65	-36.8	178.1	-162.3	177.3	-169	-179.9	3.8	112.4	L749 L750 R755 M756 N757	L749-R753 PolarHBondContact O-N 2.92Å; L750-R753 CarbonylContact O-C 3.45Å; L750-R753 WeakPolarHBondContact O-CA 3.25Å; L750-R753 WeakPolarHBondContact O-CB 3.13Å; L750-R753 PolarHBondContact O-N 3.16Å; R753-R755 VanDerWaalsContact C-N 3.33Å; R753-R755 PolarHBondContact O-N 2.7Å; R753-M756 WeakPolarHBondContact O-CB 3.19Å; R753-M756 PolarHBondContact O-N 2.71Å; R753-M756 VanDerWaalsContact O-N 3.12Å; R753-N757 PolarHBondContact O-N 3.19Å
754	E	51.9	Low	55.3	Low	120 Å²	120	132.7 Å²	132.7	56%	0.561	62%	0.619	S	S	*	*	H	α-helix	trans	-66.3	-31.7	175.8	-169.5	173.3	-130.8	0	0	112.6	L750 R752 M756	L750-E754 WeakPolarHBondContact O-CB 3.46Å; L750-E754 PolarHBondContact O-N 2.83Å; R752-E754 VanDerWaalsContact C-N 3.34Å; R752-E754 PolarHBondContact O-N 3.26Å; E754-M756 VanDerWaalsContact C-N 3.34Å
755	R	54.5	Low	53.8	Low	191 Å²	191	137.4 Å²	137.4	72%	0.721	64%	0.639	S	S	*	*	H	α-helix	trans	-72.9	-24.6	170.4	-71.2	176.4	-177	-164.5	0.6	113.6	Q751 R752 R753	Q751-R755 WeakPolarHBondContact O-CG 3.26Å; Q751-R755 PolarHBondContact O-N 3.44Å; R752-R755 PolarHBondContact O-N 2.77Å; R753-R755 VanDerWaalsContact C-N 3.33Å; R753-R755 PolarHBondContact O-N 2.7Å
756	M	52.3	Low	52.1	Low	155 Å²	155	142.6 Å²	142.6	76%	0.764	65%	0.652	S	S	*	*	H	α-helix	trans	-84.3	-35.8	-179.6	-64.9	-77.1	-74.8	0	0	112.4	R752 R753 E754	R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 2.93Å; R753-M756 WeakPolarHBondContact O-CB 3.19Å; R753-M756 PolarHBondContact O-N 2.71Å; R753-M756 VanDerWaalsContact O-N 3.12Å; E754-M756 VanDerWaalsContact C-N 3.34Å
757	N	50.5	Low	50.5	Low	104 Å²	104	144.4 Å²	144.4	56%	0.556	67%	0.67	S	S	*	*	S	Bend	trans	-110.2	108.9	-176.9	-73.2	4.9	0	0	0	111.3	R753 R759	R753-N757 PolarHBondContact O-N 3.19Å; N757-R759 PolarHBondContact O-N 3.39Å
758	H	46.3	Very low	48.9	Very low	181 Å²	181	146.7 Å²	146.7	84%	0.838	68%	0.68	S	S	*	*			trans	-73	59	178.5	-74.1	20.7	0	0	0	114
759	R	43.2	Very low	47	Very low	215 Å²	215	149 Å²	149	81%	0.811	69%	0.688	S	S	*	*	S	Bend	trans	-142.9	123.1	163.8	-71	-167.9	177.8	-168.3	-0.5	109.8	N757 I761	N757-R759 PolarHBondContact O-N 3.39Å; R759-I761 PolarHBondContact O-N 3.45Å
760	P	41.5	Very low	45.2	Very low	124 Å²	124	152.9 Å²	152.9	81%	0.805	70%	0.695	S	S	*	*			trans	-73.2	120.7	-178.4	29.2	-33.6	0	0	0	111
761	I	44.8	Very low	43.7	Very low	130 Å²	130	154.8 Å²	154.8	67%	0.667	70%	0.702	S	S	*	*			trans	-94.7	107.6	172.3	-58	176.4	0	0	0	107.7	R759 L763	R759-I761 PolarHBondContact O-N 3.45Å; I761-L763 HydrophobicContact CG2-CD1 4.02Å; I761-L763 PolarHBondContact O-N 2.86Å
762	K	41.8	Very low	42.4	Very low	185 Å²	185	155.8 Å²	155.8	80%	0.804	71%	0.713	S	S	*	*			trans	-68.5	99	171.5	-83.8	-171.6	173.6	-176.9	0	110	T764	K762-T764 VanDerWaalsContact C-N 3.3Å; K762-T764 HydrophobicContact CB-CG2 4.5Å; K762-T764 PolarHBondContact O-N 3.37Å; K762-T764 VanDerWaalsContact O-N 3.07Å
763	L	42.6	Very low	40.9	Very low	118 Å²	118	153.5 Å²	153.5	62%	0.618	71%	0.713	S	S	*	*			trans	-75.7	84.5	160.5	-83.4	89.9	0	0	0	109.6	I761 F766	I761-L763 HydrophobicContact CG2-CD1 4.02Å; I761-L763 PolarHBondContact O-N 2.86Å; L763-F766 HydrophobicContact CD2-CD2 4.41Å; L763-F766 HydrophobicContact CD2-CE2 3.97Å
764	T	43.8	Very low	40.1	Very low	111 Å²	111	152.5 Å²	152.5	68%	0.681	72%	0.72	S	S	*	*			trans	-89	119.8	165	46.2	0	0	0	0	109.4	K762	K762-T764 VanDerWaalsContact C-N 3.3Å; K762-T764 HydrophobicContact CB-CG2 4.5Å; K762-T764 PolarHBondContact O-N 3.37Å; K762-T764 VanDerWaalsContact O-N 3.07Å
765	H	37.5	Very low	39.2	Very low	174 Å²	174	155.2 Å²	155.2	81%	0.806	73%	0.73	S	S	*	*			trans	65.1	117.2	-170.8	-71.8	-69.8	0	0	0	117.2
766	F	34.7	Very low	38.1	Very low	183 Å²	183	151.9 Å²	151.9	80%	0.803	73%	0.733	S	S	*	*			trans	-89.2	142.5	130.7	-103	-99.5	0	0	0	107.8	L763	L763-F766 HydrophobicContact CD2-CD2 4.41Å; L763-F766 HydrophobicContact CD2-CE2 3.97Å
767	S	32.7	Very low	37.4	Very low	107 Å²	107	151.2 Å²	151.2	75%	0.748	74%	0.737	S	S	*	*			trans	-131.5	132.7	169.8	-177.8	0	0	0	0	108.4
768	Y	33.5	Very low	36.7	Very low	197 Å²	197	154.5 Å²	154.5	77%	0.773	75%	0.749	S	S	*	*			trans	-117.6	104.1	176	179.3	-99.6	0	0	0	108.6	R770	Y768-R770 HydrophobicContact CD1-CB 4.47Å; Y768-R770 HydrophobicContact CE1-CB 3.91Å; Y768-R770 HydrophobicContact CE1-CG 4.32Å
769	R	29.1	Very low	36.2	Very low	205 Å²	205	155.3 Å²	155.3	77%	0.774	75%	0.753	S	S	*	*			trans	-93.7	106.7	179.4	-155.9	179.9	-159.7	-151.1	12.5	109.2	E771	R769-E771 VanDerWaalsContact CD-OE1 3.3Å; R769-E771 WeakPolarHBondContact CD-OE1 3.18Å; R769-E771 HydrophobicContact CG-CG 4.32Å; R769-E771 IonicContact CZ-OE1 2.65Å; R769-E771 IonicContact NE-OE1 2.64Å; R769-E771 IonicContact NH1-OE1 3.68Å; R769-E771 PolarHBondContact NH1-OE1 2.68Å; R769-E771 PolarHBondContact O-N 2.88Å
770	R	33.1	Very low	35.6	Very low	194 Å²	194	149.8 Å²	149.8	73%	0.732	75%	0.754	S	S	*	*			trans	-85.8	79.9	177.6	-166.8	-173.3	-173	177.4	4.8	110.3	Y768 V772	Y768-R770 HydrophobicContact CD1-CB 4.47Å; Y768-R770 HydrophobicContact CE1-CB 3.91Å; Y768-R770 HydrophobicContact CE1-CG 4.32Å; R770-V772 HydrophobicContact CG-CG2 4.09Å; R770-V772 PolarHBondContact O-N 3.48Å
771	E	28.8	Very low	35.4	Very low	122 Å²	122	152.7 Å²	152.7	57%	0.57	76%	0.757	S	S	*	*			trans	-78.2	108.7	171.4	-75.5	178.4	-157.1	0	0	110.3	R769	R769-E771 VanDerWaalsContact CD-OE1 3.3Å; R769-E771 WeakPolarHBondContact CD-OE1 3.18Å; R769-E771 HydrophobicContact CG-CG 4.32Å; R769-E771 IonicContact CZ-OE1 2.65Å; R769-E771 IonicContact NE-OE1 2.64Å; R769-E771 IonicContact NH1-OE1 3.68Å; R769-E771 PolarHBondContact NH1-OE1 2.68Å; R769-E771 PolarHBondContact O-N 2.88Å
772	V	34.3	Very low	34.8	Very low	95 Å²	95	152.7 Å²	152.7	58%	0.576	76%	0.763	S	S	*	*			trans	-99.5	91.8	172.7	-172.8	0	0	0	0	108.1	R770 L774	R770-V772 HydrophobicContact CG-CG2 4.09Å; R770-V772 PolarHBondContact O-N 3.48Å; V772-L774 VanDerWaalsContact C-N 3.34Å; V772-L774 HydrophobicContact CG1-CD2 4.02Å; V772-L774 HydrophobicContact CG1-CG 4.09Å; V772-L774 PolarHBondContact O-N 3.36Å
773	I	30.7	Very low	34.3	Very low	139 Å²	139	151.7 Å²	151.7	71%	0.713	76%	0.761	S	S	*	*			trans	-76.8	88.4	174.7	-57.9	173.7	0	0	0	108.5	K775	I773-K775 HydrophobicContact CG2-CG 4.45Å; I773-K775 PolarHBondContact O-N 2.85Å; I773-K775 VanDerWaalsContact O-N 3.1Å
774	L	34.2	Very low	33.8	Very low	152 Å²	152	156.3 Å²	156.3	80%	0.796	77%	0.77	S	S	*	*			trans	-70.9	97.7	167.8	-66.1	176.8	0	0	0	109.1	V772	V772-L774 VanDerWaalsContact C-N 3.34Å; V772-L774 HydrophobicContact CG1-CD2 4.02Å; V772-L774 HydrophobicContact CG1-CG 4.09Å; V772-L774 PolarHBondContact O-N 3.36Å
775	K	33.6	Very low	33.2	Very low	178 Å²	178	157.2 Å²	157.2	77%	0.774	77%	0.77	S	S	*	*			trans	-73	132.8	160.8	-74.5	-168.7	174.7	-172.9	0	108.8	I773	I773-K775 HydrophobicContact CG2-CG 4.45Å; I773-K775 PolarHBondContact O-N 2.85Å; I773-K775 VanDerWaalsContact O-N 3.1Å
776	P	31.6	Very low	33	Very low	120 Å²	120	160.5 Å²	160.5	78%	0.779	79%	0.792	S	S	*	*			trans	-59.4	141.5	171	-22.9	33.9	0	0	0	111.3
777	V	36.7	Very low	32.9	Very low	141 Å²	141	159.4 Å²	159.4	86%	0.855	79%	0.791	S	S	*	*			trans	-91.5	104.6	169.1	178.7	0	0	0	0	108.2
778	Q	36.6	Very low	33	Very low	174 Å²	174	162.1 Å²	162.1	81%	0.813	79%	0.794	S	S	*	*			trans	-130.6	164.5	159.5	-86.7	-176.1	-56.4	0	0	108.3
779	E	35	Very low	32.9	Very low	197 Å²	197	160.2 Å²	160.2	92%	0.921	80%	0.795	S	S	*	*			trans	67.8	68.7	-179.5	-55.1	-171.7	157	0	0	115.3
780	A	32	Very low	33.2	Very low	100 Å²	100	157.5 Å²	157.5	83%	0.826	80%	0.796	S	S	*	*			trans	-137.9	20.5	158.1	0	0	0	0	0	113.1
781	E	36.5	Very low	33.2	Very low	185 Å²	185	155.3 Å²	155.3	86%	0.864	80%	0.8	S	S	*	*			trans	-114.2	92.8	170.1	-76.8	-164.4	140.1	0	0	110.4
782	T	32.3	Very low	33.5	Very low	129 Å²	129	157.5 Å²	157.5	79%	0.791	82%	0.815	S	S	*	*			trans	-167.7	153.4	152.2	3.2	0	0	0	0	110.9
783	H	31.6	Very low	33.4	Very low	165 Å²	165	161.9 Å²	161.9	76%	0.764	83%	0.833	S	S	*	*			trans	68.4	104.4	-171.5	-61.4	-93.2	0	0	0	113.9
784	R	31.5	Very low	33.6	Very low	214 Å²	214	163.7 Å²	163.7	81%	0.808	84%	0.842	S	S	*	*				72	138.1	59.8	-67	-176.5	158.3	-152.8	-2.5	112
785	L	31.3	Very low	33.5	Very low	131 Å²	131	164.7 Å²	164.7	69%	0.686	85%	0.846	S	S	*	*			cis	-161.4	169.4	3.5	-122.3	166.7	0	0	0	110.1
786	L	34	Very low	33.5	Very low	242 Å²	242	163.5 Å²	163.5	100%	1.267	85%	0.852	S	S	*	*			trans	74	0	174	-63.6	163.3	0	0	0	115.2

Retrieved 786 of 786 residues in 1077.2 ms (Link to these results)

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