A0A087XYN2_POEFO Loading...

Uridylate-specific endoribonuclease

AlphaFold DB , UniProt , Accession A0A087XYN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 425 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	35.9	Very low	39.8	Very low	239 Å²	239	156.2 Å²	156.2	100%	1.177	87%	0.869	S	S	*	*				0	114.1	0	-76.3	177.1	-68.4	0	0	108.5
2	K	42.3	Very low	39.9	Very low	206 Å²	206	150.7 Å²	150.7	90%	0.896	86%	0.858	S	S	*	*			trans	32	102.9	157.3	-59.6	-178	178.6	-178.7	0	118.9
3	V	36.3	Very low	39.8	Very low	152 Å²	152	151.2 Å²	151.2	92%	0.921	86%	0.856	S	S	*	*			trans	-149.1	138.7	132.4	-175.3	0	0	0	0	108.4
4	A	38.9	Very low	40	Very low	82 Å²	82	153.1 Å²	153.1	68%	0.678	85%	0.85	S	S	*	*			trans	-64	147	-167.6	0	0	0	0	0	115.4	I6	A4-I6 PolarHBondContact O-N 3.12Å
5	A	43.2	Very low	39.9	Very low	110 Å²	110	155.6 Å²	155.6	91%	0.909	85%	0.852	S	S	*	*			trans	-69.6	109.1	174.2	0	0	0	0	0	110.9
6	I	45.3	Very low	40	Very low	143 Å²	143	156.4 Å²	156.4	73%	0.733	85%	0.848	S	S	*	*			trans	-118.3	141.4	165.5	-64.4	175.8	0	0	0	106	A4	A4-I6 PolarHBondContact O-N 3.12Å
7	L	38.6	Very low	40	Very low	139 Å²	139	151.3 Å²	151.3	73%	0.728	84%	0.84	S	S	*	*			trans	85.3	84	174.6	-66.7	131.5	0	0	0	117.2	L9	L7-L9 HydrophobicContact CD2-CD1 4.3Å
8	L	37.8	Very low	40.8	Very low	178 Å²	178	147.9 Å²	147.9	93%	0.932	82%	0.817	S	S	*	*				-147.2	95.2	117.5	-103.4	152.2	0	0	0	107.4	C10	L8-C10 PolarHBondContact O-N 3.46Å
9	L	38.1	Very low	41.9	Very low	150 Å²	150	144.9 Å²	144.9	79%	0.785	81%	0.808	S	S	*	*			trans	-50.7	130	179.8	-104	78.3	0	0	0	110.7	L7 M11	L7-L9 HydrophobicContact CD2-CD1 4.3Å; L9-M11 PolarHBondContact O-N 3.29Å
10	C	39.6	Very low	43.8	Very low	122 Å²	122	141.5 Å²	141.5	82%	0.824	79%	0.787	S	S	*	*			trans	-51.4	120.1	170.7	-71	0	0	0	0	111.5	L8 A12	L8-C10 PolarHBondContact O-N 3.46Å; C10-A12 PolarHBondContact O-N 3.28Å; C10-A12 VanDerWaalsContact O-N 3.12Å
11	M	42.4	Very low	45.7	Very low	197 Å²	197	135.9 Å²	135.9	97%	0.97	76%	0.758	S	S	*	*			trans	-64.1	99.8	153.3	-74.9	-167	-97	0	0	108.4	L9	L9-M11 PolarHBondContact O-N 3.29Å
12	A	41.1	Very low	48	Very low	90 Å²	90	124.5 Å²	124.5	74%	0.744	70%	0.702	S	S	*	*			trans	-150	64.8	160.8	0	0	0	0	0	108.5	C10 F14	C10-A12 PolarHBondContact O-N 3.28Å; C10-A12 VanDerWaalsContact O-N 3.12Å; A12-F14 PolarHBondContact O-N 3.34Å
13	L	38.3	Very low	49.9	Very low	158 Å²	158	122.4 Å²	122.4	83%	0.827	70%	0.695	S	S	*	*			trans	-71.3	117.7	163.6	-82.4	155.6	0	0	0	108.2
14	F	42.4	Very low	51.7	Low	178 Å²	178	118.2 Å²	118.2	78%	0.781	68%	0.683	S	S	*	*			trans	23.6	106.6	150.7	-66.4	-90.6	0	0	0	117.8	A12	A12-F14 PolarHBondContact O-N 3.34Å
15	H	38.7	Very low	53.6	Low	190 Å²	190	116 Å²	116	88%	0.88	66%	0.657	S	S	*	*			trans	-143.5	78.8	141.4	-99.6	62.7	0	0	0	107.4	G17	H15-G17 PolarHBondContact O-N 2.89Å; H15-G17 VanDerWaalsContact O-N 3.1Å
16	Q	41.2	Very low	55.3	Low	169 Å²	169	112.8 Å²	112.8	79%	0.79	63%	0.628	S	S	*	*			trans	-74	90.2	154.5	-75.5	-173.9	-6.8	0	0	105.6	H18	Q16-H18 PolarHBondContact O-N 2.89Å
17	G	40.6	Very low	56.5	Low	69 Å²	69	107.6 Å²	107.6	71%	0.711	61%	0.61	S	S	*	*			trans	-63.6	100	170	0	0	0	0	0	108.1	H15 S19	H15-G17 PolarHBondContact O-N 2.89Å; H15-G17 VanDerWaalsContact O-N 3.1Å; G17-S19 PolarHBondContact O-N 3.19Å
18	H	54.4	Low	58.2	Low	90 Å²	90	108.6 Å²	108.6	42%	0.417	61%	0.605	S	S	.	*			trans	-57.4	126.7	166.4	-76.8	-89.8	0	0	0	107.8	Q16 N20 Y34	Q16-H18 PolarHBondContact O-N 2.89Å; H18-N20 PolarHBondContact O-N 3.16Å; H18-N20 VanDerWaalsContact O-N 3.12Å; H18-Y34 HydrophobicContact CB-CD1 3.82Å; H18-Y34 HydrophobicContact CB-CE1 3.61Å; H18-Y34 AromaticContact ND1-CE1 3.97Å; H18-Y34 AromaticContact ND1-CZ 3.8Å
19	S	61.9	Low	60	Low	92 Å²	92	103 Å²	103	64%	0.643	59%	0.59	S	S	*	*			trans	-60.3	118.5	176.8	52.8	0	0	0	0	109.1	G17 S21	G17-S19 PolarHBondContact O-N 3.19Å; S19-S21 PolarHBondContact O-N 3.42Å
20	N	78.4	Confident	61.9	Low	75 Å²	75	101.9 Å²	101.9	40%	0.401	58%	0.583	S	S	.	*			trans	-72.5	61.9	175.8	-73.9	-41.3	0	0	0	111.3	H18 S35	H18-N20 PolarHBondContact O-N 3.16Å; H18-N20 VanDerWaalsContact O-N 3.12Å; N20-S35 PolarHBondContact ND2-OG 3.04Å; N20-S35 PolarHBondContact OD1-N 3.44Å; N20-S35 PolarHBondContact OD1-OG 2.53Å
21	S	84	Confident	63.7	Low	25 Å²	25	99.1 Å²	99.1	18%	0.175	56%	0.56	C	S	.	*			trans	-126.5	150.8	-176.9	171.7	0	0	0	0	110.5	S19 Q23 R25 D51	S19-S21 PolarHBondContact O-N 3.42Å; S21-Q23 PolarHBondContact OG-N 2.54Å; S21-Q23 VanDerWaalsContact OG-N 3.16Å; S21-R25 PolarHBondContact O-NH1 2.96Å; S21-D51 WeakPolarHBondContact CA-OD2 3.47Å; S21-D51 WeakPolarHBondContact CB-OD2 3.08Å; S21-D51 PolarHBondContact OG-OD2 3.38Å
22	C	84.1	Confident	65.6	Low	0 Å²	0	96.1 Å²	96.1	0%	0	55%	0.553	C	S	.	*			trans	-87.6	0.5	173.4	-69.8	0	0	0	0	115.5	G24 R25 C38 C49 D51 L55 C56	C22-G24 PolarHBondContact O-N 3.16Å; C22-R25 PolarHBondContact O-N 2.91Å; C22-C38 WeakPolarHBondContact CA-SG 3.41Å; C22-C38 HydrophobicContact CB-CB 3.78Å; C22-C38 WeakPolarHBondContact CB-SG 3.39Å; C22-C38 VanDerWaalsContact SG-CA 3.59Å; C22-C38 WeakPolarHBondContact SG-CB 3.44Å; C22-C38 CovalentContact SG-SG 2.03Å; C22-C38 PolarHBondContact SG-SG 2.86Å; C22-C49 VanDerWaalsContact SG-CB 3.52Å; C22-D51 VanDerWaalsContact N-CG 3.32Å; C22-D51 PolarHBondContact N-OD1 2.87Å; C22-D51 PolarHBondContact N-OD2 3.15Å; C22-L55 HydrophobicContact CB-CB 4.32Å; C22-L55 HydrophobicContact CB-CD1 4.44Å; C22-C56 WeakPolarHBondContact CB-SG 3.4Å
23	Q	83.7	Confident	67.5	Low	161 Å²	161	94.9 Å²	94.9	75%	0.752	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	116.5	177	-173.3	170.1	-7.4	0	0	111.1	S21 R25 L55	S21-Q23 PolarHBondContact OG-N 2.54Å; S21-Q23 VanDerWaalsContact OG-N 3.16Å; Q23-R25 PolarHBondContact O-N 3.02Å; Q23-L55 HydrophobicContact CB-CD1 4.14Å
24	G	72.7	Confident	69.5	Low	64 Å²	64	89.7 Å²	89.7	66%	0.66	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	8.9	-177.7	0	0	0	0	0	115.2	C22 Y28	C22-G24 PolarHBondContact O-N 3.16Å; G24-Y28 WeakPolarHBondContact O-CE2 3.22Å
25	R	78.3	Confident	71.5	Confident	35 Å²	35	85.7 Å²	85.7	13%	0.132	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	4.1	-177.1	-67	177.2	61.7	-130.3	-3.5	113.8	S21 C22 Q23 G27 Y28 Y34 C38	S21-R25 PolarHBondContact O-NH1 2.96Å; C22-R25 PolarHBondContact O-N 2.91Å; Q23-R25 PolarHBondContact O-N 3.02Å; R25-G27 PolarHBondContact O-N 3.12Å; R25-Y28 VanDerWaalsContact C-CD2 3.49Å; R25-Y28 WeakPolarHBondContact O-CD2 3.19Å; R25-Y28 PolarHBondContact O-N 3.12Å; R25-Y34 VanDerWaalsContact CZ-CD2 3.46Å; R25-Y34 VanDerWaalsContact NH2-CB 3.3Å; R25-C38 HydrophobicContact CB-CB 4.25Å; R25-C38 WeakPolarHBondContact O-CB 3.47Å
26	C	79.3	Confident	73.9	Confident	44 Å²	44	77.1 Å²	77.1	30%	0.297	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	127.3	177.9	-61.2	0	0	0	0	112.1	Y28 L55 C56	C26-Y28 VanDerWaalsContact C-N 3.27Å; C26-Y28 PolarHBondContact O-N 2.81Å; C26-L55 PolarHBondContact SG-O 3.27Å; C26-L55 VanDerWaalsContact SG-O 3.38Å; C26-C56 WeakPolarHBondContact CA-SG 3.08Å; C26-C56 HydrophobicContact CB-CB 3.73Å; C26-C56 WeakPolarHBondContact CB-SG 3.05Å; C26-C56 WeakPolarHBondContact SG-CA 3.17Å; C26-C56 WeakPolarHBondContact SG-CB 3.3Å; C26-C56 CovalentContact SG-SG 2.04Å; C26-C56 PolarHBondContact SG-SG 3.06Å
27	G	70.7	Confident	76.2	Confident	34 Å²	34	69.7 Å²	69.7	35%	0.351	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	3.8	175.6	0	0	0	0	0	115.7	R25 C38	R25-G27 PolarHBondContact O-N 3.12Å; G27-C38 PolarHBondContact N-O 3.31Å
28	Y	75.3	Confident	78.3	Confident	160 Å²	160	66.6 Å²	66.6	63%	0.627	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-70.2	155.4	170.6	-76.4	-100.3	0	0	0	111.2	G24 R25 C26 N39	G24-Y28 WeakPolarHBondContact O-CE2 3.22Å; R25-Y28 VanDerWaalsContact C-CD2 3.49Å; R25-Y28 WeakPolarHBondContact O-CD2 3.19Å; R25-Y28 PolarHBondContact O-N 3.12Å; C26-Y28 VanDerWaalsContact C-N 3.27Å; C26-Y28 PolarHBondContact O-N 2.81Å; Y28-N39 WeakPolarHBondContact O-CB 3.18Å
29	G	74.4	Confident	79.7	Confident	61 Å²	61	63.2 Å²	63.2	63%	0.629	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-60.4	169.3	173.6	0	0	0	0	0	112.8	D31	G29-D31 PolarHBondContact O-N 2.96Å
30	I	78.1	Confident	80.6	Confident	125 Å²	125	61.8 Å²	61.8	64%	0.641	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-57.9	126.3	178.8	-60.9	171.6	0	0	0	109.4
31	D	78.8	Confident	80.9	Confident	64 Å²	64	60 Å²	60	34%	0.342	37%	0.366	S	S	.	.			trans	-120.7	109.9	176.1	-169.6	-20.4	0	0	0	109.5	G29 S33 Y34 Q37	G29-D31 PolarHBondContact O-N 2.96Å; D31-S33 PolarHBondContact O-N 3.32Å; D31-S33 VanDerWaalsContact OD1-CB 3.3Å; D31-S33 WeakPolarHBondContact OD1-CB 3.33Å; D31-S33 PolarHBondContact OD1-N 2.7Å; D31-S33 PolarHBondContact OD1-OG 3.1Å; D31-S33 PolarHBondContact OD2-OG 2.82Å; D31-Y34 HydrophobicContact CB-CD2 4.04Å; D31-Y34 PolarHBondContact O-N 3.44Å; D31-Y34 VanDerWaalsContact OD2-CE2 3.31Å; D31-Y34 WeakPolarHBondContact OD2-CE2 3.03Å; D31-Q37 VanDerWaalsContact N-OE1 3.1Å; D31-Q37 PolarHBondContact O-NE2 2.98Å
32	T	80.6	Confident	81	Confident	134 Å²	134	58.9 Å²	58.9	82%	0.822	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.8	-177.4	54.8	0	0	0	0	113.3	Y34	T32-Y34 VanDerWaalsContact C-N 3.25Å
33	S	80.8	Confident	81	Confident	64 Å²	64	62.1 Å²	62.1	45%	0.448	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.5	173.4	68.7	0	0	0	0	113.5	D31	D31-S33 PolarHBondContact O-N 3.32Å; D31-S33 VanDerWaalsContact OD1-CB 3.3Å; D31-S33 WeakPolarHBondContact OD1-CB 3.33Å; D31-S33 PolarHBondContact OD1-N 2.7Å; D31-S33 PolarHBondContact OD1-OG 3.1Å; D31-S33 PolarHBondContact OD2-OG 2.82Å
34	Y	80.7	Confident	81.1	Confident	50 Å²	50	64.5 Å²	64.5	20%	0.196	38%	0.375	C	S	.	.	S	Bend	trans	-113	146.9	177.3	-63.1	-96.4	0	0	0	111.2	H18 R25 D31 T32 C36	H18-Y34 HydrophobicContact CB-CD1 3.82Å; H18-Y34 HydrophobicContact CB-CE1 3.61Å; H18-Y34 AromaticContact ND1-CE1 3.97Å; H18-Y34 AromaticContact ND1-CZ 3.8Å; R25-Y34 VanDerWaalsContact CZ-CD2 3.46Å; R25-Y34 VanDerWaalsContact NH2-CB 3.3Å; D31-Y34 HydrophobicContact CB-CD2 4.04Å; D31-Y34 PolarHBondContact O-N 3.44Å; D31-Y34 VanDerWaalsContact OD2-CE2 3.31Å; D31-Y34 WeakPolarHBondContact OD2-CE2 3.03Å; T32-Y34 VanDerWaalsContact C-N 3.25Å; Y34-C36 PolarHBondContact O-N 3.24Å
35	S	85.1	Confident	81.8	Confident	93 Å²	93	68.8 Å²	68.8	65%	0.65	37%	0.372	S	S	*	.	S	Bend	trans	-79.4	-0.8	179.3	68.2	0	0	0	0	114.1	N20	N20-S35 PolarHBondContact ND2-OG 3.04Å; N20-S35 PolarHBondContact OD1-N 3.44Å; N20-S35 PolarHBondContact OD1-OG 2.53Å
36	C	88.4	Confident	82.1	Confident	11 Å²	11	74.4 Å²	74.4	7%	0.074	41%	0.405	C	S	.	.	S	Bend	trans	-148.2	156.2	178.8	64	0	0	0	0	111.1	Y34 D47 C49	Y34-C36 PolarHBondContact O-N 3.24Å; C36-D47 CarbonylContact C-O 3.58Å; C36-D47 WeakPolarHBondContact CA-O 3.44Å; C36-D47 WeakPolarHBondContact CB-O 3.17Å; C36-C49 HydrophobicContact CB-CB 3.83Å; C36-C49 WeakPolarHBondContact CB-SG 3.03Å; C36-C49 WeakPolarHBondContact SG-CA 3.45Å; C36-C49 WeakPolarHBondContact SG-CB 3.37Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 2.69Å
37	Q	89.3	Confident	82.6	Confident	13 Å²	13	75 Å²	75	6%	0.061	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-111.9	153.4	-175	-56	-56.8	-42.4	0	0	111.5	D31 C42 D47 C48 C49	D31-Q37 VanDerWaalsContact N-OE1 3.1Å; D31-Q37 PolarHBondContact O-NE2 2.98Å; Q37-C42 HydrophobicContact CB-CB 3.81Å; Q37-D47 WeakPolarHBondContact CG-OD2 3.41Å; Q37-D47 PolarHBondContact N-O 3.46Å; Q37-C48 WeakPolarHBondContact O-CA 3.12Å; Q37-C49 PolarHBondContact O-N 2.71Å; Q37-C49 VanDerWaalsContact O-N 3.08Å
38	C	86.3	Confident	83.4	Confident	4 Å²	4	74.9 Å²	74.9	3%	0.027	40%	0.399	C	S	.	.			trans	-124.9	27.2	-177.3	-62	0	0	0	0	112.3	C22 R25 G27 C49	C22-C38 WeakPolarHBondContact CA-SG 3.41Å; C22-C38 HydrophobicContact CB-CB 3.78Å; C22-C38 WeakPolarHBondContact CB-SG 3.39Å; C22-C38 VanDerWaalsContact SG-CA 3.59Å; C22-C38 WeakPolarHBondContact SG-CB 3.44Å; C22-C38 CovalentContact SG-SG 2.03Å; C22-C38 PolarHBondContact SG-SG 2.86Å; R25-C38 HydrophobicContact CB-CB 4.25Å; R25-C38 WeakPolarHBondContact O-CB 3.47Å; G27-C38 PolarHBondContact N-O 3.31Å; C38-C49 PolarHBondContact SG-SG 3.29Å
39	N	83.4	Confident	84.1	Confident	18 Å²	18	67.5 Å²	67.5	10%	0.096	37%	0.37	C	S	.	.	S	Bend	trans	-111.3	165.6	176.3	62.2	46.7	0	0	0	110.3	Y28 A41 C42	Y28-N39 WeakPolarHBondContact O-CB 3.18Å; N39-A41 PolarHBondContact O-N 3.24Å; N39-A41 WeakPolarHBondContact OD1-CB 3.22Å; N39-A41 PolarHBondContact OD1-N 3.11Å; N39-A41 VanDerWaalsContact OD1-N 3.12Å; N39-C42 WeakPolarHBondContact O-CB 3.46Å; N39-C42 PolarHBondContact O-N 3.02Å; N39-C42 PolarHBondContact O-SG 3.03Å; N39-C42 PolarHBondContact OD1-N 2.53Å
40	T	81.4	Confident	84.8	Confident	62 Å²	62	70.2 Å²	70.2	38%	0.38	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.3	-178	52.9	0	0	0	0	113.9	C42 Y52 Q74	T40-C42 PolarHBondContact O-N 3.01Å; T40-Y52 WeakPolarHBondContact CA-OH 3.25Å; T40-Q74 HydrophobicContact CG2-CB 4.11Å; T40-Q74 HydrophobicContact CG2-CG 4.43Å; T40-Q74 PolarHBondContact OG1-OE1 3.18Å
41	A	84	Confident	85.2	Confident	39 Å²	39	65.7 Å²	65.7	32%	0.322	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.4	176.2	0	0	0	0	0	112.5	N39 E43 R44 Y45	N39-A41 PolarHBondContact O-N 3.24Å; N39-A41 WeakPolarHBondContact OD1-CB 3.22Å; N39-A41 PolarHBondContact OD1-N 3.11Å; N39-A41 VanDerWaalsContact OD1-N 3.12Å; A41-E43 PolarHBondContact O-N 3.1Å; A41-R44 WeakPolarHBondContact O-CB 3.02Å; A41-R44 PolarHBondContact O-N 3.41Å; A41-Y45 HydrophobicContact CB-CD2 4.25Å; A41-Y45 HydrophobicContact CB-CE2 4.2Å; A41-Y45 VanDerWaalsContact O-CD2 3.23Å; A41-Y45 WeakPolarHBondContact O-CD2 3.48Å; A41-Y45 PolarHBondContact O-N 3.28Å
42	C	86.3	Confident	85.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-29.2	-176.1	77.7	0	0	0	0	113.3	Q37 N39 T40 R44 Y45 N46 D47 C48	Q37-C42 HydrophobicContact CB-CB 3.81Å; N39-C42 WeakPolarHBondContact O-CB 3.46Å; N39-C42 PolarHBondContact O-N 3.02Å; N39-C42 PolarHBondContact O-SG 3.03Å; N39-C42 PolarHBondContact OD1-N 2.53Å; T40-C42 PolarHBondContact O-N 3.01Å; C42-R44 VanDerWaalsContact C-N 3.26Å; C42-R44 PolarHBondContact O-N 2.86Å; C42-Y45 PolarHBondContact O-N 3.45Å; C42-N46 WeakPolarHBondContact O-CA 3.16Å; C42-N46 PolarHBondContact O-N 3.13Å; C42-D47 WeakPolarHBondContact CA-OD1 3.26Å; C42-D47 VanDerWaalsContact CB-OD1 3.31Å; C42-D47 WeakPolarHBondContact CB-OD1 3.38Å; C42-D47 PolarHBondContact O-N 2.93Å; C42-D47 VanDerWaalsContact O-N 3.17Å; C42-C48 HydrophobicContact CB-CB 3.92Å; C42-C48 WeakPolarHBondContact CB-SG 3.15Å; C42-C48 PolarHBondContact O-SG 3.22Å; C42-C48 WeakPolarHBondContact SG-CA 3.46Å; C42-C48 WeakPolarHBondContact SG-CB 3.38Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 3.39Å
43	E	83.3	Confident	85.5	Confident	69 Å²	69	62 Å²	62	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-67.8	-31.9	177.8	-61.2	-175	124.9	0	0	111.3	A41 C48 Y52 Y53 K57	A41-E43 PolarHBondContact O-N 3.1Å; E43-C48 PolarHBondContact N-SG 3.34Å; E43-Y52 HydrophobicContact CG-CE1 3.76Å; E43-Y53 WeakPolarHBondContact OE1-CE1 3.12Å; E43-Y53 PolarHBondContact OE1-OH 2.89Å; E43-K57 WeakPolarHBondContact OE1-CE 3.43Å; E43-K57 IonicContact OE1-NZ 2.69Å; E43-K57 PolarHBondContact OE1-NZ 3.36Å; E43-K57 WeakPolarHBondContact OE2-CE 3.32Å; E43-K57 IonicContact OE2-NZ 2.71Å; E43-K57 PolarHBondContact OE2-NZ 3.41Å
44	R	85.1	Confident	85.4	Confident	211 Å²	211	62.5 Å²	62.5	80%	0.796	32%	0.324	S	S	*	.	H	α-helix	trans	-74.8	-36.6	177.9	-178	177.7	178.4	163.7	0.5	111.9	A41 C42	A41-R44 WeakPolarHBondContact O-CB 3.02Å; A41-R44 PolarHBondContact O-N 3.41Å; C42-R44 VanDerWaalsContact C-N 3.26Å; C42-R44 PolarHBondContact O-N 2.86Å
45	Y	87.8	Confident	85.3	Confident	154 Å²	154	63.4 Å²	63.4	60%	0.604	33%	0.332	S	S	*	.	H	α-helix	trans	-95	-4	-178.3	-63.8	-73	0	0	0	113.4	A41 C42 D47	A41-Y45 HydrophobicContact CB-CD2 4.25Å; A41-Y45 HydrophobicContact CB-CE2 4.2Å; A41-Y45 VanDerWaalsContact O-CD2 3.23Å; A41-Y45 WeakPolarHBondContact O-CD2 3.48Å; A41-Y45 PolarHBondContact O-N 3.28Å; C42-Y45 PolarHBondContact O-N 3.45Å; Y45-D47 VanDerWaalsContact C-N 3.28Å; Y45-D47 PolarHBondContact O-N 3.39Å
46	N	85.2	Confident	84.9	Confident	152 Å²	152	59.8 Å²	59.8	81%	0.813	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	39.2	-179.6	-163.1	53.3	0	0	0	113.3	C42	C42-N46 WeakPolarHBondContact O-CA 3.16Å; C42-N46 PolarHBondContact O-N 3.13Å
47	D	90.3	Very high	84.3	Confident	57 Å²	57	63.3 Å²	63.3	31%	0.305	32%	0.321	S	S	.	.			trans	-121.4	22.1	-179.1	68.3	-19.2	0	0	0	112.5	C36 Q37 C42 Y45	C36-D47 CarbonylContact C-O 3.58Å; C36-D47 WeakPolarHBondContact CA-O 3.44Å; C36-D47 WeakPolarHBondContact CB-O 3.17Å; Q37-D47 WeakPolarHBondContact CG-OD2 3.41Å; Q37-D47 PolarHBondContact N-O 3.46Å; C42-D47 WeakPolarHBondContact CA-OD1 3.26Å; C42-D47 VanDerWaalsContact CB-OD1 3.31Å; C42-D47 WeakPolarHBondContact CB-OD1 3.38Å; C42-D47 PolarHBondContact O-N 2.93Å; C42-D47 VanDerWaalsContact O-N 3.17Å; Y45-D47 VanDerWaalsContact C-N 3.28Å; Y45-D47 PolarHBondContact O-N 3.39Å
48	C	88.2	Confident	83.7	Confident	32 Å²	32	68.6 Å²	68.6	22%	0.216	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-63.1	141.8	176.5	-61.1	0	0	0	0	112.2	Q37 C42 E43 Y52	Q37-C48 WeakPolarHBondContact O-CA 3.12Å; C42-C48 HydrophobicContact CB-CB 3.92Å; C42-C48 WeakPolarHBondContact CB-SG 3.15Å; C42-C48 PolarHBondContact O-SG 3.22Å; C42-C48 WeakPolarHBondContact SG-CA 3.46Å; C42-C48 WeakPolarHBondContact SG-CB 3.38Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 3.39Å; E43-C48 PolarHBondContact N-SG 3.34Å; C48-Y52 HydrophobicContact CB-CD1 3.88Å; C48-Y52 HydrophobicContact CB-CG 4.01Å; C48-Y52 VanDerWaalsContact SG-CD1 3.59Å
49	C	89.9	Confident	82.9	Confident	4 Å²	4	70.6 Å²	70.6	3%	0.027	36%	0.362	C	S	.	.			trans	-62.9	152.3	168.1	-56	0	0	0	0	110.3	C22 C36 Q37 C38 D51 Y52	C22-C49 VanDerWaalsContact SG-CB 3.52Å; C36-C49 HydrophobicContact CB-CB 3.83Å; C36-C49 WeakPolarHBondContact CB-SG 3.03Å; C36-C49 WeakPolarHBondContact SG-CA 3.45Å; C36-C49 WeakPolarHBondContact SG-CB 3.37Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 2.69Å; Q37-C49 PolarHBondContact O-N 2.71Å; Q37-C49 VanDerWaalsContact O-N 3.08Å; C38-C49 PolarHBondContact SG-SG 3.29Å; C49-D51 WeakPolarHBondContact CB-OD1 3.45Å; C49-D51 PolarHBondContact O-N 2.04Å; C49-D51 VanDerWaalsContact O-N 3.12Å; C49-Y52 WeakPolarHBondContact O-CB 3.37Å; C49-Y52 PolarHBondContact O-N 3.07Å
50	S	88.4	Confident	82.4	Confident	119 Å²	119	70 Å²	70	83%	0.832	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.5	-175.4	51.2	0	0	0	0	113.5
51	D	86.4	Confident	82.5	Confident	29 Å²	29	71.9 Å²	71.9	16%	0.155	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.3	177.8	62.7	-7.9	0	0	0	113.6	S21 C22 C49 Y53 T54 L55	S21-D51 WeakPolarHBondContact CA-OD2 3.47Å; S21-D51 WeakPolarHBondContact CB-OD2 3.08Å; S21-D51 PolarHBondContact OG-OD2 3.38Å; C22-D51 VanDerWaalsContact N-CG 3.32Å; C22-D51 PolarHBondContact N-OD1 2.87Å; C22-D51 PolarHBondContact N-OD2 3.15Å; C49-D51 WeakPolarHBondContact CB-OD1 3.45Å; C49-D51 PolarHBondContact O-N 2.04Å; C49-D51 VanDerWaalsContact O-N 3.12Å; D51-Y53 PolarHBondContact O-N 3.28Å; D51-T54 PolarHBondContact O-N 3.08Å; D51-T54 PolarHBondContact O-OG1 3.41Å; D51-L55 HydrophobicContact CB-CD1 3.89Å; D51-L55 HydrophobicContact CB-CG 4.15Å; D51-L55 VanDerWaalsContact O-CB 3.3Å; D51-L55 WeakPolarHBondContact O-CB 3.18Å; D51-L55 PolarHBondContact O-N 2.04Å; D51-L55 WeakPolarHBondContact OD2-CD1 3.01Å
52	Y	84.3	Confident	82.5	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.02	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-44.9	-179.1	170.7	-108.2	0	0	0	112.7	T40 E43 C48 C49 C56 K57	T40-Y52 WeakPolarHBondContact CA-OH 3.25Å; E43-Y52 HydrophobicContact CG-CE1 3.76Å; C48-Y52 HydrophobicContact CB-CD1 3.88Å; C48-Y52 HydrophobicContact CB-CG 4.01Å; C48-Y52 VanDerWaalsContact SG-CD1 3.59Å; C49-Y52 WeakPolarHBondContact O-CB 3.37Å; C49-Y52 PolarHBondContact O-N 3.07Å; Y52-C56 HydrophobicContact CD2-CB 3.73Å; Y52-C56 HydrophobicContact CE2-CB 3.77Å; Y52-C56 WeakPolarHBondContact O-CA 3.18Å; Y52-C56 VanDerWaalsContact O-CB 3.25Å; Y52-C56 WeakPolarHBondContact O-CB 2.99Å; Y52-C56 PolarHBondContact O-N 3.45Å; Y52-K57 HydrophobicContact CE1-CG 4.38Å; Y52-K57 PolarHBondContact O-N 2.79Å
53	Y	80.7	Confident	82.5	Confident	117 Å²	117	71.6 Å²	71.6	46%	0.459	36%	0.363	S	S	.	.	I	π-helix	trans	-64.7	-44.7	-177.9	-74.6	-76.8	0	0	0	112	E43 D51 K57 E58	E43-Y53 WeakPolarHBondContact OE1-CE1 3.12Å; E43-Y53 PolarHBondContact OE1-OH 2.89Å; D51-Y53 PolarHBondContact O-N 3.28Å; Y53-K57 HydrophobicContact CD1-CD 4.28Å; Y53-K57 HydrophobicContact CE1-CD 4.4Å; Y53-K57 WeakPolarHBondContact O-CB 3.39Å; Y53-K57 PolarHBondContact O-N 2.94Å; Y53-E58 PolarHBondContact O-N 2.94Å
54	T	78.5	Confident	82.4	Confident	74 Å²	74	74.6 Å²	74.6	45%	0.454	38%	0.381	S	S	.	.	I	π-helix	trans	-75.9	-43.2	-177.1	51.9	0	0	0	0	111.9	D51 A59	D51-T54 PolarHBondContact O-N 3.08Å; D51-T54 PolarHBondContact O-OG1 3.41Å; T54-A59 PolarHBondContact O-N 2.03Å
55	L	78.8	Confident	81.9	Confident	69 Å²	69	68.4 Å²	68.4	36%	0.361	38%	0.383	S	S	.	.	I	π-helix	trans	-86.7	-27.4	-175.8	-64.9	-176.9	0	0	0	114.6	C22 Q23 C26 D51 A59	C22-L55 HydrophobicContact CB-CB 4.32Å; C22-L55 HydrophobicContact CB-CD1 4.44Å; Q23-L55 HydrophobicContact CB-CD1 4.14Å; C26-L55 PolarHBondContact SG-O 3.27Å; C26-L55 VanDerWaalsContact SG-O 3.38Å; D51-L55 HydrophobicContact CB-CD1 3.89Å; D51-L55 HydrophobicContact CB-CG 4.15Å; D51-L55 VanDerWaalsContact O-CB 3.3Å; D51-L55 WeakPolarHBondContact O-CB 3.18Å; D51-L55 PolarHBondContact O-N 2.04Å; D51-L55 WeakPolarHBondContact OD2-CD1 3.01Å; L55-A59 WeakPolarHBondContact O-CB 3.42Å
56	C	76.3	Confident	81.5	Confident	16 Å²	16	63 Å²	63	11%	0.108	36%	0.361	C	S	.	.	I	π-helix	trans	-114.6	-26.3	-175.6	-55	0	0	0	0	114.7	C22 C26 Y52 A60	C22-C56 WeakPolarHBondContact CB-SG 3.4Å; C26-C56 WeakPolarHBondContact CA-SG 3.08Å; C26-C56 HydrophobicContact CB-CB 3.73Å; C26-C56 WeakPolarHBondContact CB-SG 3.05Å; C26-C56 WeakPolarHBondContact SG-CA 3.17Å; C26-C56 WeakPolarHBondContact SG-CB 3.3Å; C26-C56 CovalentContact SG-SG 2.04Å; C26-C56 PolarHBondContact SG-SG 3.06Å; Y52-C56 HydrophobicContact CD2-CB 3.73Å; Y52-C56 HydrophobicContact CE2-CB 3.77Å; Y52-C56 WeakPolarHBondContact O-CA 3.18Å; Y52-C56 VanDerWaalsContact O-CB 3.25Å; Y52-C56 WeakPolarHBondContact O-CB 2.99Å; Y52-C56 PolarHBondContact O-N 3.45Å; C56-A60 WeakPolarHBondContact O-CB 3.32Å
57	K	77.4	Confident	81.5	Confident	86 Å²	86	59 Å²	59	37%	0.374	35%	0.345	S	S	.	.	I	π-helix	trans	-97.7	-51.7	176.5	-84	-154.1	170.3	173.3	0	113.1	E43 Y52 Y53 A60	E43-K57 WeakPolarHBondContact OE1-CE 3.43Å; E43-K57 IonicContact OE1-NZ 2.69Å; E43-K57 PolarHBondContact OE1-NZ 3.36Å; E43-K57 WeakPolarHBondContact OE2-CE 3.32Å; E43-K57 IonicContact OE2-NZ 2.71Å; E43-K57 PolarHBondContact OE2-NZ 3.41Å; Y52-K57 HydrophobicContact CE1-CG 4.38Å; Y52-K57 PolarHBondContact O-N 2.79Å; Y53-K57 HydrophobicContact CD1-CD 4.28Å; Y53-K57 HydrophobicContact CE1-CD 4.4Å; Y53-K57 WeakPolarHBondContact O-CB 3.39Å; Y53-K57 PolarHBondContact O-N 2.94Å; K57-A60 PolarHBondContact O-N 2.82Å
58	E	76.7	Confident	80.9	Confident	124 Å²	124	59.5 Å²	59.5	58%	0.579	36%	0.363	S	S	*	.	I	π-helix	trans	-71.4	-45.7	-177.9	-68.7	178.6	172.4	0	0	111.5	Y53 A60 L61	Y53-E58 PolarHBondContact O-N 2.94Å; E58-A60 PolarHBondContact O-N 3.17Å; E58-L61 WeakPolarHBondContact O-CB 3.06Å; E58-L61 PolarHBondContact O-N 3.3Å; E58-L61 VanDerWaalsContact O-N 3.13Å
59	A	69.4	Low	80.6	Confident	45 Å²	45	59.6 Å²	59.6	37%	0.372	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.9	174.8	0	0	0	0	0	113.2	T54 L55 L61 S62 R66	T54-A59 PolarHBondContact O-N 2.03Å; L55-A59 WeakPolarHBondContact O-CB 3.42Å; A59-L61 PolarHBondContact O-N 3.42Å; A59-S62 PolarHBondContact O-N 3.41Å; A59-R66 PolarHBondContact O-NH1 2.03Å
60	A	72.9	Confident	80.1	Confident	7 Å²	7	64.4 Å²	64.4	6%	0.058	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-74.9	-5.7	178.4	0	0	0	0	0	113.8	C56 K57 E58 R66 P76 C77	C56-A60 WeakPolarHBondContact O-CB 3.32Å; K57-A60 PolarHBondContact O-N 2.82Å; E58-A60 PolarHBondContact O-N 3.17Å; A60-R66 PolarHBondContact O-NH1 3.07Å; A60-P76 HydrophobicContact CB-CG 4.17Å; A60-C77 PolarHBondContact O-SG 2.99Å
61	L	82.4	Confident	79.8	Confident	101 Å²	101	66.3 Å²	66.3	53%	0.529	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-92.6	-6.9	176.1	-63.1	170.9	0	0	0	114	E58 A59 P76	E58-L61 WeakPolarHBondContact O-CB 3.06Å; E58-L61 PolarHBondContact O-N 3.3Å; E58-L61 VanDerWaalsContact O-N 3.13Å; A59-L61 PolarHBondContact O-N 3.42Å; L61-P76 HydrophobicContact CD2-CB 4.09Å; L61-P76 HydrophobicContact CD2-CG 3.64Å; L61-P76 HydrophobicContact CG-CG 4.39Å
62	S	84.3	Confident	79.4	Confident	33 Å²	33	67.1 Å²	67.1	23%	0.231	39%	0.388	C	S	.	.			trans	-124.7	151.6	-176.7	172.9	0	0	0	0	111.5	A59 N64 R66 D92	A59-S62 PolarHBondContact O-N 3.41Å; S62-N64 WeakPolarHBondContact OG-CB 3.42Å; S62-N64 PolarHBondContact OG-N 3.24Å; S62-N64 VanDerWaalsContact OG-N 3.1Å; S62-R66 WeakPolarHBondContact O-CD 3.21Å; S62-R66 PolarHBondContact O-NH1 3.47Å; S62-D92 VanDerWaalsContact CA-OD2 3.26Å; S62-D92 WeakPolarHBondContact CA-OD2 3.48Å; S62-D92 VanDerWaalsContact CB-OD2 3.22Å; S62-D92 WeakPolarHBondContact CB-OD2 3.46Å; S62-D92 PolarHBondContact OG-OD2 2.96Å
63	C	85.7	Confident	79.1	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	42%	0.415	C	S	.	.			trans	-86.3	-0.6	171.7	-74.3	0	0	0	0	115.5	G65 R66 C79 C90 D92 Y93 L96 C97	C63-G65 PolarHBondContact O-N 3.39Å; C63-R66 PolarHBondContact O-N 2.92Å; C63-C79 WeakPolarHBondContact CA-SG 3.39Å; C63-C79 HydrophobicContact CB-CB 3.84Å; C63-C79 WeakPolarHBondContact CB-SG 3.3Å; C63-C79 WeakPolarHBondContact SG-CB 3.3Å; C63-C79 CovalentContact SG-SG 2.02Å; C63-C79 PolarHBondContact SG-SG 3.13Å; C63-C90 VanDerWaalsContact SG-CB 3.57Å; C63-D92 WeakPolarHBondContact CB-OD1 3.38Å; C63-D92 VanDerWaalsContact N-CG 3.3Å; C63-D92 PolarHBondContact N-OD1 3.06Å; C63-D92 PolarHBondContact N-OD2 2.79Å; C63-Y93 WeakPolarHBondContact SG-CA 3.37Å; C63-L96 HydrophobicContact CB-CB 4.18Å; C63-L96 HydrophobicContact CB-CD1 4.29Å; C63-C97 WeakPolarHBondContact CB-SG 3.32Å
64	N	82.9	Confident	78.7	Confident	131 Å²	131	69.3 Å²	69.3	70%	0.701	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	111.7	178.8	-170.9	30.9	0	0	0	111.1	S62 R66 L96	S62-N64 WeakPolarHBondContact OG-CB 3.42Å; S62-N64 PolarHBondContact OG-N 3.24Å; S62-N64 VanDerWaalsContact OG-N 3.1Å; N64-R66 VanDerWaalsContact C-N 3.3Å; N64-R66 PolarHBondContact O-N 3.28Å; N64-L96 HydrophobicContact CB-CD1 3.98Å
65	G	73.6	Confident	78.7	Confident	82 Å²	82	67.5 Å²	67.5	85%	0.845	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	10.3	-175.7	0	0	0	0	0	115.7	C63	C63-G65 PolarHBondContact O-N 3.39Å
66	R	79.3	Confident	78.8	Confident	40 Å²	40	68.2 Å²	68.2	15%	0.151	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	7.3	-177.9	-70.1	177.6	56	-145.6	2.3	114.3	A59 A60 S62 C63 N64 G68 E69 N75 C77 C79	A59-R66 PolarHBondContact O-NH1 2.03Å; A60-R66 PolarHBondContact O-NH1 3.07Å; S62-R66 WeakPolarHBondContact O-CD 3.21Å; S62-R66 PolarHBondContact O-NH1 3.47Å; C63-R66 PolarHBondContact O-N 2.92Å; N64-R66 VanDerWaalsContact C-N 3.3Å; N64-R66 PolarHBondContact O-N 3.28Å; R66-G68 PolarHBondContact O-N 3.07Å; R66-E69 IonicContact CZ-OE1 2.74Å; R66-E69 IonicContact CZ-OE2 3.94Å; R66-E69 IonicContact NE-OE2 3.64Å; R66-E69 PolarHBondContact NE-OE2 2.79Å; R66-E69 VanDerWaalsContact NH2-CD 3.25Å; R66-E69 IonicContact NH2-OE1 3.15Å; R66-E69 PolarHBondContact NH2-OE1 2.77Å; R66-E69 IonicContact NH2-OE2 2.96Å; R66-E69 PolarHBondContact NH2-OE2 2.67Å; R66-E69 WeakPolarHBondContact O-CB 3.28Å; R66-E69 WeakPolarHBondContact O-CG 3.26Å; R66-E69 PolarHBondContact O-N 2.8Å; R66-N75 PolarHBondContact NH2-ND2 2.98Å; R66-C77 PolarHBondContact NH2-O 2.04Å; R66-C79 HydrophobicContact CB-CB 4.07Å; R66-C79 WeakPolarHBondContact O-CB 3.47Å
67	C	84.4	Confident	79.3	Confident	69 Å²	69	68 Å²	68	47%	0.466	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	128	178.7	-57.9	0	0	0	0	111.8	C79 C97	C67-C79 WeakPolarHBondContact CA-O 3.38Å; C67-C97 WeakPolarHBondContact CA-SG 3.35Å; C67-C97 HydrophobicContact CB-CB 3.75Å; C67-C97 WeakPolarHBondContact CB-SG 3.31Å; C67-C97 WeakPolarHBondContact SG-CA 3.45Å; C67-C97 WeakPolarHBondContact SG-CB 3.44Å; C67-C97 CovalentContact SG-SG 2.03Å; C67-C97 PolarHBondContact SG-SG 3.4Å
68	G	79.4	Confident	79.9	Confident	67 Å²	67	64.2 Å²	64.2	69%	0.691	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	17.8	-178.2	0	0	0	0	0	114.6	R66 C79	R66-G68 PolarHBondContact O-N 3.07Å; G68-C79 PolarHBondContact N-O 3.18Å
69	E	81	Confident	80.5	Confident	33 Å²	33	58.4 Å²	58.4	15%	0.154	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-62.4	151.5	179.1	64.3	170.4	-151.9	0	0	114.3	R66 H78 C79 N80	R66-E69 IonicContact CZ-OE1 2.74Å; R66-E69 IonicContact CZ-OE2 3.94Å; R66-E69 IonicContact NE-OE2 3.64Å; R66-E69 PolarHBondContact NE-OE2 2.79Å; R66-E69 VanDerWaalsContact NH2-CD 3.25Å; R66-E69 IonicContact NH2-OE1 3.15Å; R66-E69 PolarHBondContact NH2-OE1 2.77Å; R66-E69 IonicContact NH2-OE2 2.96Å; R66-E69 PolarHBondContact NH2-OE2 2.67Å; R66-E69 WeakPolarHBondContact O-CB 3.28Å; R66-E69 WeakPolarHBondContact O-CG 3.26Å; R66-E69 PolarHBondContact O-N 2.8Å; E69-H78 VanDerWaalsContact OE1-CA 3.32Å; E69-H78 WeakPolarHBondContact OE1-CA 3.27Å; E69-H78 IonicContact OE1-CG 3.1Å; E69-H78 IonicContact OE1-ND1 3.03Å; E69-H78 PolarHBondContact OE1-ND1 3.35Å; E69-H78 VanDerWaalsContact OE1-ND1 3.08Å; E69-C79 HydrophobicContact CG-CB 4.16Å; E69-C79 PolarHBondContact OE1-N 2.95Å; E69-N80 WeakPolarHBondContact O-CB 3.03Å; E69-N80 PolarHBondContact O-ND2 3.27Å
70	S	79.8	Confident	81.2	Confident	106 Å²	106	57.2 Å²	57.2	74%	0.741	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-69.7	151.5	167	-63.1	0	0	0	0	111.1	N72	S70-N72 PolarHBondContact O-N 3.06Å
71	Y	81.1	Confident	81.8	Confident	159 Å²	159	61.6 Å²	61.6	62%	0.624	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.4	129.8	175.1	177	-100.4	0	0	0	111.5	H78	Y71-H78 AromaticContact CD2-CE1 3.7Å; Y71-H78 AromaticContact CD2-NE2 3.52Å; Y71-H78 AromaticContact CE2-CE1 3.98Å; Y71-H78 AromaticContact CE2-NE2 3.38Å; Y71-H78 WeakPolarHBondContact CE2-NE2 3.38Å
72	N	78	Confident	81.9	Confident	45 Å²	45	61.1 Å²	61.1	24%	0.241	38%	0.379	C	S	.	.			trans	-133.9	112.1	175.4	-178.5	-12.4	0	0	0	109.9	S70 Q74 N75 H78	S70-N72 PolarHBondContact O-N 3.06Å; N72-Q74 PolarHBondContact O-N 2.95Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.1Å; N72-Q74 PolarHBondContact OD1-N 3.26Å; N72-N75 PolarHBondContact O-N 3.4Å; N72-H78 PolarHBondContact N-CE1 2.75Å; N72-H78 PolarHBondContact O-CE1 3.25Å
73	S	77.8	Confident	82	Confident	81 Å²	81	59.5 Å²	59.5	57%	0.566	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-11.2	-177.7	59.5	0	0	0	0	115.1
74	Q	73.4	Confident	81.9	Confident	87 Å²	87	63 Å²	63	41%	0.407	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.3	176.3	-55.6	-54.6	-57.8	0	0	113.4	T40 N72	T40-Q74 HydrophobicContact CG2-CB 4.11Å; T40-Q74 HydrophobicContact CG2-CG 4.43Å; T40-Q74 PolarHBondContact OG1-OE1 3.18Å; N72-Q74 PolarHBondContact O-N 2.95Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.1Å; N72-Q74 PolarHBondContact OD1-N 3.26Å
75	N	77.4	Confident	82	Confident	36 Å²	36	63.3 Å²	63.3	19%	0.193	39%	0.387	C	S	.	.			trans	-81.2	136	178.3	-69.6	-10.7	0	0	0	110.3	R66 N72 C77	R66-N75 PolarHBondContact NH2-ND2 2.98Å; N72-N75 PolarHBondContact O-N 3.4Å; N75-C77 WeakPolarHBondContact CB-O 3.19Å; N75-C77 PolarHBondContact O-N 2.87Å
76	P	81.8	Confident	82.6	Confident	84 Å²	84	66.5 Å²	66.5	55%	0.545	38%	0.375	S	S	.	.	S	Bend	trans	-69.2	-21.2	175.2	27.6	-32.6	0	0	0	112.8	A60 L61	A60-P76 HydrophobicContact CB-CG 4.17Å; L61-P76 HydrophobicContact CD2-CB 4.09Å; L61-P76 HydrophobicContact CD2-CG 3.64Å; L61-P76 HydrophobicContact CG-CG 4.39Å
77	C	87.8	Confident	82.9	Confident	12 Å²	12	71.9 Å²	71.9	8%	0.081	41%	0.407	C	S	.	.	S	Bend	trans	-155.2	162	176	64	0	0	0	0	111.9	A60 R66 N75 N88 C90	A60-C77 PolarHBondContact O-SG 2.99Å; R66-C77 PolarHBondContact NH2-O 2.04Å; N75-C77 WeakPolarHBondContact CB-O 3.19Å; N75-C77 PolarHBondContact O-N 2.87Å; C77-N88 CarbonylContact C-O 3.06Å; C77-N88 WeakPolarHBondContact CA-O 3.48Å; C77-C90 HydrophobicContact CB-CB 3.84Å; C77-C90 WeakPolarHBondContact CB-SG 3.05Å; C77-C90 WeakPolarHBondContact SG-CA 3.01Å; C77-C90 WeakPolarHBondContact SG-CB 3.01Å; C77-C90 CovalentContact SG-SG 2.03Å; C77-C90 PolarHBondContact SG-SG 3.18Å
78	H	89.3	Confident	83.1	Confident	7 Å²	7	70.7 Å²	70.7	3%	0.032	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-120.4	152.9	-172.3	-70	-64.4	0	0	0	114.3	E69 Y71 N72 C83 N88 C89 C90	E69-H78 VanDerWaalsContact OE1-CA 3.32Å; E69-H78 WeakPolarHBondContact OE1-CA 3.27Å; E69-H78 IonicContact OE1-CG 3.1Å; E69-H78 IonicContact OE1-ND1 3.03Å; E69-H78 PolarHBondContact OE1-ND1 3.35Å; E69-H78 VanDerWaalsContact OE1-ND1 3.08Å; Y71-H78 AromaticContact CD2-CE1 3.7Å; Y71-H78 AromaticContact CD2-NE2 3.52Å; Y71-H78 AromaticContact CE2-CE1 3.98Å; Y71-H78 AromaticContact CE2-NE2 3.38Å; Y71-H78 WeakPolarHBondContact CE2-NE2 3.38Å; N72-H78 PolarHBondContact N-CE1 2.75Å; N72-H78 PolarHBondContact O-CE1 3.25Å; H78-C83 HydrophobicContact CB-CB 3.83Å; H78-C83 PolarHBondContact O-SG 3.13Å; H78-N88 PolarHBondContact CD2-ND2 3.21Å; H78-N88 VanDerWaalsContact CD2-ND2 3.3Å; H78-N88 PolarHBondContact N-O 3.34Å; H78-C89 CarbonylContact O-C 3.58Å; H78-C89 VanDerWaalsContact O-CA 3.26Å; H78-C89 WeakPolarHBondContact O-CA 3.16Å; H78-C90 PolarHBondContact O-N 2.89Å
79	C	88.4	Confident	83.6	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.007	38%	0.376	C	S	.	.			trans	-126.5	35	-176.7	-60.5	0	0	0	0	112.8	C63 R66 C67 G68 E69 C90 Y93	C63-C79 WeakPolarHBondContact CA-SG 3.39Å; C63-C79 HydrophobicContact CB-CB 3.84Å; C63-C79 WeakPolarHBondContact CB-SG 3.3Å; C63-C79 WeakPolarHBondContact SG-CB 3.3Å; C63-C79 CovalentContact SG-SG 2.02Å; C63-C79 PolarHBondContact SG-SG 3.13Å; R66-C79 HydrophobicContact CB-CB 4.07Å; R66-C79 WeakPolarHBondContact O-CB 3.47Å; C67-C79 WeakPolarHBondContact CA-O 3.38Å; G68-C79 PolarHBondContact N-O 3.18Å; E69-C79 HydrophobicContact CG-CB 4.16Å; E69-C79 PolarHBondContact OE1-N 2.95Å; C79-C90 PolarHBondContact SG-SG 2.74Å; C79-Y93 HydrophobicContact CB-CD2 4.31Å
80	N	85.4	Confident	84	Confident	20 Å²	20	68.1 Å²	68.1	11%	0.107	37%	0.37	C	S	.	.	S	Bend	trans	-113.5	164.6	179.5	66.2	45.8	0	0	0	111.9	E69 L82 C83 Y93	E69-N80 WeakPolarHBondContact O-CB 3.03Å; E69-N80 PolarHBondContact O-ND2 3.27Å; N80-L82 PolarHBondContact O-N 2.82Å; N80-L82 PolarHBondContact OD1-N 2.72Å; N80-L82 VanDerWaalsContact OD1-N 3.14Å; N80-C83 WeakPolarHBondContact O-CB 3.48Å; N80-C83 PolarHBondContact O-N 2.71Å; N80-C83 PolarHBondContact O-SG 2.87Å; N80-C83 PolarHBondContact OD1-N 2.99Å; N80-Y93 PolarHBondContact O-OH 2.74Å
81	S	84.3	Confident	84.4	Confident	100 Å²	100	68.6 Å²	68.6	70%	0.699	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.7	-175.1	58	0	0	0	0	114.4	P84	S81-P84 WeakPolarHBondContact O-CD 3.36Å
82	L	84.9	Confident	84.6	Confident	90 Å²	90	62.5 Å²	62.5	47%	0.471	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-13.7	179.6	-61.9	177.6	0	0	0	113	N80 P84 Q85 Y86	N80-L82 PolarHBondContact O-N 2.82Å; N80-L82 PolarHBondContact OD1-N 2.72Å; N80-L82 VanDerWaalsContact OD1-N 3.14Å; L82-P84 VanDerWaalsContact C-N 3.3Å; L82-Q85 WeakPolarHBondContact O-CB 3.14Å; L82-Q85 PolarHBondContact O-N 3.29Å; L82-Y86 HydrophobicContact CB-CD2 4.18Å; L82-Y86 HydrophobicContact CB-CE2 4.06Å; L82-Y86 VanDerWaalsContact O-CD2 3.29Å; L82-Y86 WeakPolarHBondContact O-CD2 3.42Å; L82-Y86 PolarHBondContact O-N 2.95Å
83	C	87.1	Confident	84.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-57.4	-32.1	-177.9	79.5	0	0	0	0	114.7	H78 N80 Q85 Y86 N87 N88 C89	H78-C83 HydrophobicContact CB-CB 3.83Å; H78-C83 PolarHBondContact O-SG 3.13Å; N80-C83 WeakPolarHBondContact O-CB 3.48Å; N80-C83 PolarHBondContact O-N 2.71Å; N80-C83 PolarHBondContact O-SG 2.87Å; N80-C83 PolarHBondContact OD1-N 2.99Å; C83-Q85 VanDerWaalsContact C-N 3.31Å; C83-Q85 PolarHBondContact O-N 2.03Å; C83-Y86 PolarHBondContact O-N 3.44Å; C83-N87 PolarHBondContact O-N 3.03Å; C83-N88 WeakPolarHBondContact CA-OD1 3.46Å; C83-N88 VanDerWaalsContact CB-OD1 3.28Å; C83-N88 WeakPolarHBondContact CB-OD1 3.01Å; C83-N88 PolarHBondContact O-N 2.02Å; C83-N88 VanDerWaalsContact O-N 3.16Å; C83-N88 PolarHBondContact O-OD1 3.46Å; C83-C89 HydrophobicContact CB-CB 3.98Å; C83-C89 WeakPolarHBondContact CB-SG 3.26Å; C83-C89 PolarHBondContact O-SG 3.29Å; C83-C89 WeakPolarHBondContact SG-CA 3.29Å; C83-C89 WeakPolarHBondContact SG-CB 3.07Å; C83-C89 CovalentContact SG-SG 2.04Å; C83-C89 PolarHBondContact SG-SG 2.03Å
84	P	82.6	Confident	84.9	Confident	72 Å²	72	61.1 Å²	61.1	47%	0.468	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-32.7	176.9	-21.1	35	0	0	0	112.2	S81 L82 Y86 N87 C89 Y93	S81-P84 WeakPolarHBondContact O-CD 3.36Å; L82-P84 VanDerWaalsContact C-N 3.3Å; P84-Y86 VanDerWaalsContact C-N 3.34Å; P84-N87 PolarHBondContact O-N 2.92Å; P84-C89 VanDerWaalsContact CD-SG 3.56Å; P84-Y93 HydrophobicContact CG-CE1 3.75Å
85	Q	84.7	Confident	85	Confident	138 Å²	138	61.8 Å²	61.8	65%	0.645	35%	0.352	S	S	*	.	H	α-helix	trans	-67.4	-36.7	177.7	-176.1	-177.4	-5.2	0	0	111.6	L82 C83	L82-Q85 WeakPolarHBondContact O-CB 3.14Å; L82-Q85 PolarHBondContact O-N 3.29Å; C83-Q85 VanDerWaalsContact C-N 3.31Å; C83-Q85 PolarHBondContact O-N 2.03Å
86	Y	87.1	Confident	85.2	Confident	150 Å²	150	63.7 Å²	63.7	59%	0.588	36%	0.362	S	S	*	.	H	α-helix	trans	-96.1	2.7	-179.2	-63.6	-73.9	0	0	0	113.6	L82 C83 P84 N88	L82-Y86 HydrophobicContact CB-CD2 4.18Å; L82-Y86 HydrophobicContact CB-CE2 4.06Å; L82-Y86 VanDerWaalsContact O-CD2 3.29Å; L82-Y86 WeakPolarHBondContact O-CD2 3.42Å; L82-Y86 PolarHBondContact O-N 2.95Å; C83-Y86 PolarHBondContact O-N 3.44Å; P84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-N88 PolarHBondContact O-N 2.86Å
87	N	85.1	Confident	84.8	Confident	153 Å²	153	61.3 Å²	61.3	82%	0.818	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	40.5	-178.9	-162.7	40.4	0	0	0	113.6	C83 P84	C83-N87 PolarHBondContact O-N 3.03Å; P84-N87 PolarHBondContact O-N 2.92Å
88	N	89.9	Confident	83.8	Confident	44 Å²	44	65.2 Å²	65.2	24%	0.235	37%	0.367	C	S	.	.			trans	-125.6	23	-177.4	65.6	3.1	0	0	0	112.7	C77 H78 C83 Y86	C77-N88 CarbonylContact C-O 3.06Å; C77-N88 WeakPolarHBondContact CA-O 3.48Å; H78-N88 PolarHBondContact CD2-ND2 3.21Å; H78-N88 VanDerWaalsContact CD2-ND2 3.3Å; H78-N88 PolarHBondContact N-O 3.34Å; C83-N88 WeakPolarHBondContact CA-OD1 3.46Å; C83-N88 VanDerWaalsContact CB-OD1 3.28Å; C83-N88 WeakPolarHBondContact CB-OD1 3.01Å; C83-N88 PolarHBondContact O-N 2.02Å; C83-N88 VanDerWaalsContact O-N 3.16Å; C83-N88 PolarHBondContact O-OD1 3.46Å; Y86-N88 PolarHBondContact O-N 2.86Å
89	C	88.4	Confident	82.3	Confident	41 Å²	41	67.1 Å²	67.1	28%	0.277	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-67.5	148.4	177.4	-63.5	0	0	0	0	112.8	H78 C83 P84 Y93	H78-C89 CarbonylContact O-C 3.58Å; H78-C89 VanDerWaalsContact O-CA 3.26Å; H78-C89 WeakPolarHBondContact O-CA 3.16Å; C83-C89 HydrophobicContact CB-CB 3.98Å; C83-C89 WeakPolarHBondContact CB-SG 3.26Å; C83-C89 PolarHBondContact O-SG 3.29Å; C83-C89 WeakPolarHBondContact SG-CA 3.29Å; C83-C89 WeakPolarHBondContact SG-CB 3.07Å; C83-C89 CovalentContact SG-SG 2.04Å; C83-C89 PolarHBondContact SG-SG 2.03Å; P84-C89 VanDerWaalsContact CD-SG 3.56Å; C89-Y93 HydrophobicContact CB-CD1 4.01Å; C89-Y93 HydrophobicContact CB-CG 3.99Å; C89-Y93 VanDerWaalsContact SG-CD1 3.54Å
90	C	90.2	Very high	80.4	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.034	41%	0.409	C	S	.	.			trans	-65.7	152.2	166.1	-57.8	0	0	0	0	110.6	C63 C77 H78 C79 D92 Y93	C63-C90 VanDerWaalsContact SG-CB 3.57Å; C77-C90 HydrophobicContact CB-CB 3.84Å; C77-C90 WeakPolarHBondContact CB-SG 3.05Å; C77-C90 WeakPolarHBondContact SG-CA 3.01Å; C77-C90 WeakPolarHBondContact SG-CB 3.01Å; C77-C90 CovalentContact SG-SG 2.03Å; C77-C90 PolarHBondContact SG-SG 3.18Å; H78-C90 PolarHBondContact O-N 2.89Å; C79-C90 PolarHBondContact SG-SG 2.74Å; C90-D92 WeakPolarHBondContact CB-OD1 3.08Å; C90-D92 PolarHBondContact O-N 2.96Å; C90-D92 VanDerWaalsContact O-N 3.11Å; C90-Y93 WeakPolarHBondContact O-CB 3.2Å; C90-Y93 PolarHBondContact O-N 2.8Å
91	S	88.4	Confident	79	Confident	115 Å²	115	76.6 Å²	76.6	80%	0.804	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.3	-173.9	62.9	0	0	0	0	114
92	D	85.5	Confident	77.8	Confident	31 Å²	31	72.6 Å²	72.6	17%	0.166	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	3.1	179.4	60.4	-6.5	0	0	0	113.3	S62 C63 C90 S94 T95 L96	S62-D92 VanDerWaalsContact CA-OD2 3.26Å; S62-D92 WeakPolarHBondContact CA-OD2 3.48Å; S62-D92 VanDerWaalsContact CB-OD2 3.22Å; S62-D92 WeakPolarHBondContact CB-OD2 3.46Å; S62-D92 PolarHBondContact OG-OD2 2.96Å; C63-D92 WeakPolarHBondContact CB-OD1 3.38Å; C63-D92 VanDerWaalsContact N-CG 3.3Å; C63-D92 PolarHBondContact N-OD1 3.06Å; C63-D92 PolarHBondContact N-OD2 2.79Å; C90-D92 WeakPolarHBondContact CB-OD1 3.08Å; C90-D92 PolarHBondContact O-N 2.96Å; C90-D92 VanDerWaalsContact O-N 3.11Å; D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 3.38Å; D92-T95 PolarHBondContact O-N 3.34Å; D92-L96 HydrophobicContact CB-CD1 3.97Å; D92-L96 HydrophobicContact CB-CG 4.27Å; D92-L96 PolarHBondContact O-N 3.18Å; D92-L96 WeakPolarHBondContact OD2-CD1 3.17Å
93	Y	83.2	Confident	76.9	Confident	26 Å²	26	71.4 Å²	71.4	10%	0.102	41%	0.414	C	S	.	.	H	α-helix	trans	-54.5	-45.3	179.9	174.5	-104.5	0	0	0	112.2	C63 C79 N80 P84 C89 C90 T95 C97 N98	C63-Y93 WeakPolarHBondContact SG-CA 3.37Å; C79-Y93 HydrophobicContact CB-CD2 4.31Å; N80-Y93 PolarHBondContact O-OH 2.74Å; P84-Y93 HydrophobicContact CG-CE1 3.75Å; C89-Y93 HydrophobicContact CB-CD1 4.01Å; C89-Y93 HydrophobicContact CB-CG 3.99Å; C89-Y93 VanDerWaalsContact SG-CD1 3.54Å; C90-Y93 WeakPolarHBondContact O-CB 3.2Å; C90-Y93 PolarHBondContact O-N 2.8Å; Y93-T95 PolarHBondContact O-N 3.12Å; Y93-C97 HydrophobicContact CD2-CB 3.62Å; Y93-C97 HydrophobicContact CE2-CB 3.61Å; Y93-C97 CarbonylContact O-C 3.5Å; Y93-C97 WeakPolarHBondContact O-CA 3.48Å; Y93-C97 PolarHBondContact O-N 3.37Å; Y93-N98 HydrophobicContact CE1-CB 4.31Å; Y93-N98 PolarHBondContact O-N 3.43Å
94	S	77.8	Confident	76.7	Confident	71 Å²	71	75.6 Å²	75.6	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-62.4	-29.2	-179.9	58.8	0	0	0	0	112.9	D92 N98 A99	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 3.38Å; S94-N98 CarbonylContact O-C 3.16Å; S94-N98 WeakPolarHBondContact O-CB 3.39Å; S94-A99 PolarHBondContact O-N 2.97Å
95	T	76.5	Confident	76.7	Confident	102 Å²	102	74 Å²	74	63%	0.626	43%	0.43	S	S	*	.	H	α-helix	trans	-97	-29.5	-172.8	-49.8	0	0	0	0	112.1	D92 Y93 A99	D92-T95 PolarHBondContact O-N 3.34Å; Y93-T95 PolarHBondContact O-N 3.12Å; T95-A99 WeakPolarHBondContact O-CB 3.09Å
96	L	79.9	Confident	76.7	Confident	76 Å²	76	67.4 Å²	67.4	40%	0.398	40%	0.399	S	S	.	.	H	α-helix	trans	-102.9	-35.7	-177	-66.7	-179.8	0	0	0	113.7	C63 N64 D92	C63-L96 HydrophobicContact CB-CB 4.18Å; C63-L96 HydrophobicContact CB-CD1 4.29Å; N64-L96 HydrophobicContact CB-CD1 3.98Å; D92-L96 HydrophobicContact CB-CD1 3.97Å; D92-L96 HydrophobicContact CB-CG 4.27Å; D92-L96 PolarHBondContact O-N 3.18Å; D92-L96 WeakPolarHBondContact OD2-CD1 3.17Å
97	C	74.2	Confident	76.6	Confident	33 Å²	33	65.4 Å²	65.4	22%	0.223	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-23.4	-175.6	-56.8	0	0	0	0	113.8	C63 C67 Y93	C63-C97 WeakPolarHBondContact CB-SG 3.32Å; C67-C97 WeakPolarHBondContact CA-SG 3.35Å; C67-C97 HydrophobicContact CB-CB 3.75Å; C67-C97 WeakPolarHBondContact CB-SG 3.31Å; C67-C97 WeakPolarHBondContact SG-CA 3.45Å; C67-C97 WeakPolarHBondContact SG-CB 3.44Å; C67-C97 CovalentContact SG-SG 2.03Å; C67-C97 PolarHBondContact SG-SG 3.4Å; Y93-C97 HydrophobicContact CD2-CB 3.62Å; Y93-C97 HydrophobicContact CE2-CB 3.61Å; Y93-C97 CarbonylContact O-C 3.5Å; Y93-C97 WeakPolarHBondContact O-CA 3.48Å; Y93-C97 PolarHBondContact O-N 3.37Å
98	N	67.9	Low	76.3	Confident	94 Å²	94	61.9 Å²	61.9	50%	0.503	40%	0.399	S	S	.	.	S	Bend	trans	-103.5	12.9	169.3	-151.3	12.6	0	0	0	111.9	Y93 S94 V100	Y93-N98 HydrophobicContact CE1-CB 4.31Å; Y93-N98 PolarHBondContact O-N 3.43Å; S94-N98 CarbonylContact O-C 3.16Å; S94-N98 WeakPolarHBondContact O-CB 3.39Å; N98-V100 PolarHBondContact O-N 3.19Å
99	A	56	Low	75.9	Confident	47 Å²	47	61.5 Å²	61.5	39%	0.388	39%	0.394	S	S	.	.	S	Bend	trans	-55	115	158.4	0	0	0	0	0	105.8	S94 T95 V101	S94-A99 PolarHBondContact O-N 2.97Å; T95-A99 WeakPolarHBondContact O-CB 3.09Å; A99-V101 WeakPolarHBondContact O-CG2 3.37Å; A99-V101 PolarHBondContact O-N 3.05Å
100	V	49.7	Very low	75.7	Confident	88 Å²	88	62.6 Å²	62.6	53%	0.533	40%	0.402	S	S	.	.			trans	-64.7	85.5	-177.9	179.4	0	0	0	0	107.8	N98 G102 T104 P119	N98-V100 PolarHBondContact O-N 3.19Å; V100-G102 PolarHBondContact O-N 3.18Å; V100-T104 HydrophobicContact CG1-CG2 4.19Å; V100-P119 HydrophobicContact CG1-CB 3.34Å; V100-P119 HydrophobicContact CG1-CG 3.28Å
101	V	55.2	Low	75.1	Confident	133 Å²	133	65.5 Å²	65.5	81%	0.806	43%	0.432	S	S	*	.			trans	-82.2	76.3	173.9	-173.1	0	0	0	0	106.4	A99	A99-V101 WeakPolarHBondContact O-CG2 3.37Å; A99-V101 PolarHBondContact O-N 3.05Å
102	G	59.3	Low	74.8	Confident	16 Å²	16	61.7 Å²	61.7	17%	0.165	40%	0.402	C	S	.	.	S	Bend	trans	-170.2	143	175.6	0	0	0	0	0	109.6	V100 T104	V100-G102 PolarHBondContact O-N 3.18Å; G102-T104 PolarHBondContact O-N 3.27Å
103	P	66.5	Low	74.6	Confident	64 Å²	64	65.3 Å²	65.3	42%	0.416	43%	0.429	S	S	.	.			trans	-61.2	128.8	179.9	17.3	-22.6	0	0	0	109.9	R109	P103-R109 VanDerWaalsContact CB-NH1 3.25Å; P103-R109 PolarHBondContact O-NH1 3.32Å
104	T	81.7	Confident	74.6	Confident	89 Å²	89	71.5 Å²	71.5	55%	0.546	45%	0.454	S	S	.	.			trans	-96.2	1.7	-178.5	51.2	0	0	0	0	112.9	V100 G102 P119	V100-T104 HydrophobicContact CG1-CG2 4.19Å; G102-T104 PolarHBondContact O-N 3.27Å; T104-P119 HydrophobicContact CG2-CG 3.97Å
105	S	83.5	Confident	74.7	Confident	37 Å²	37	71 Å²	71	26%	0.259	45%	0.446	S	S	.	.			trans	-123.6	149	-175.4	172.5	0	0	0	0	111.3	N107 R109 D135	S105-N107 PolarHBondContact OG-N 3Å; S105-R109 WeakPolarHBondContact O-CD 3.3Å; S105-R109 PolarHBondContact O-NH1 3.01Å; S105-D135 WeakPolarHBondContact CA-OD1 3.5Å; S105-D135 WeakPolarHBondContact CA-OD2 3.45Å; S105-D135 WeakPolarHBondContact CB-OD2 3.23Å; S105-D135 PolarHBondContact OG-OD2 3.32Å
106	C	85.1	Confident	74.7	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	44%	0.443	C	S	.	.			trans	-88.1	-1.7	175.1	-75.4	0	0	0	0	115.9	G108 R109 C122 C133 D135 Y136 Y139 C140	C106-G108 PolarHBondContact O-N 2.58Å; C106-R109 PolarHBondContact O-N 2.94Å; C106-C122 WeakPolarHBondContact CA-SG 3.37Å; C106-C122 HydrophobicContact CB-CB 3.9Å; C106-C122 WeakPolarHBondContact CB-SG 3.31Å; C106-C122 WeakPolarHBondContact SG-CB 3.16Å; C106-C122 CovalentContact SG-SG 2.03Å; C106-C122 PolarHBondContact SG-SG 3.28Å; C106-C133 VanDerWaalsContact SG-CB 3.56Å; C106-D135 PolarHBondContact N-OD1 3.4Å; C106-D135 PolarHBondContact N-OD2 3.15Å; C106-D135 VanDerWaalsContact N-OD2 3.13Å; C106-Y136 VanDerWaalsContact SG-CA 3.56Å; C106-Y139 HydrophobicContact CB-CD2 4.41Å; C106-Y139 HydrophobicContact CB-CG 4.44Å; C106-C140 VanDerWaalsContact CB-SG 3.51Å
107	N	85.3	Confident	74.4	Confident	108 Å²	108	73 Å²	73	58%	0.578	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	112.8	176.4	-170.8	11.5	0	0	0	111.5	S105 R109 Y139	S105-N107 PolarHBondContact OG-N 3Å; N107-R109 VanDerWaalsContact C-N 3.32Å; N107-R109 PolarHBondContact O-N 3.25Å; N107-Y139 HydrophobicContact CB-CD1 3.79Å; N107-Y139 HydrophobicContact CB-CD2 4.49Å; N107-Y139 HydrophobicContact CB-CE1 3.52Å; N107-Y139 HydrophobicContact CB-CE2 4.28Å; N107-Y139 HydrophobicContact CB-CG 4.27Å
108	G	77.3	Confident	74.6	Confident	80 Å²	80	72.8 Å²	72.8	83%	0.825	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	13	-177.7	0	0	0	0	0	115.7	C106	C106-G108 PolarHBondContact O-N 2.58Å
109	R	81.9	Confident	75.2	Confident	35 Å²	35	71.2 Å²	71.2	13%	0.132	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	6.7	-175.6	-72.6	179.2	55.8	-146.3	7.1	115.1	P103 S105 C106 N107 G111 E112 N118 C120 C122	P103-R109 VanDerWaalsContact CB-NH1 3.25Å; P103-R109 PolarHBondContact O-NH1 3.32Å; S105-R109 WeakPolarHBondContact O-CD 3.3Å; S105-R109 PolarHBondContact O-NH1 3.01Å; C106-R109 PolarHBondContact O-N 2.94Å; N107-R109 VanDerWaalsContact C-N 3.32Å; N107-R109 PolarHBondContact O-N 3.25Å; R109-G111 PolarHBondContact O-N 2.93Å; R109-E112 IonicContact CZ-OE1 2.75Å; R109-E112 IonicContact CZ-OE2 3.86Å; R109-E112 IonicContact NE-OE2 2.67Å; R109-E112 PolarHBondContact NE-OE2 2.94Å; R109-E112 IonicContact NH2-OE1 3.1Å; R109-E112 PolarHBondContact NH2-OE1 2.91Å; R109-E112 IonicContact NH2-OE2 2.95Å; R109-E112 PolarHBondContact NH2-OE2 3.24Å; R109-E112 WeakPolarHBondContact O-CB 3.24Å; R109-E112 WeakPolarHBondContact O-CG 3.36Å; R109-E112 PolarHBondContact O-N 2.85Å; R109-N118 PolarHBondContact NH2-ND2 3.39Å; R109-N118 VanDerWaalsContact NH2-ND2 3.18Å; R109-C120 PolarHBondContact NH2-O 2.83Å; R109-C122 HydrophobicContact CB-CB 4.12Å; R109-C122 VanDerWaalsContact O-CB 3.28Å; R109-C122 WeakPolarHBondContact O-CB 3.26Å
110	C	83.6	Confident	76.8	Confident	65 Å²	65	69.6 Å²	69.6	44%	0.439	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	131.2	179.4	-55.3	0	0	0	0	111.7	C122 Y139 C140	C110-C122 CarbonylContact C-O 3.43Å; C110-C122 WeakPolarHBondContact CA-O 3.45Å; C110-Y139 PolarHBondContact SG-O 3.47Å; C110-Y139 VanDerWaalsContact SG-O 3.35Å; C110-C140 WeakPolarHBondContact CA-SG 3.43Å; C110-C140 HydrophobicContact CB-CB 3.93Å; C110-C140 WeakPolarHBondContact CB-SG 3.4Å; C110-C140 WeakPolarHBondContact SG-CA 3.12Å; C110-C140 WeakPolarHBondContact SG-CB 3.3Å; C110-C140 CovalentContact SG-SG 2.04Å; C110-C140 PolarHBondContact SG-SG 3.4Å
111	G	79.1	Confident	78.6	Confident	65 Å²	65	65.6 Å²	65.6	67%	0.67	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	16.4	-178.5	0	0	0	0	0	114.8	R109 C122	R109-G111 PolarHBondContact O-N 2.93Å; G111-C122 PolarHBondContact N-O 3.42Å
112	E	82	Confident	80.3	Confident	35 Å²	35	59.3 Å²	59.3	16%	0.164	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-62.3	150.4	179.3	63	170.1	-155.1	0	0	114.4	R109 H121 C122 N123	R109-E112 IonicContact CZ-OE1 2.75Å; R109-E112 IonicContact CZ-OE2 3.86Å; R109-E112 IonicContact NE-OE2 2.67Å; R109-E112 PolarHBondContact NE-OE2 2.94Å; R109-E112 IonicContact NH2-OE1 3.1Å; R109-E112 PolarHBondContact NH2-OE1 2.91Å; R109-E112 IonicContact NH2-OE2 2.95Å; R109-E112 PolarHBondContact NH2-OE2 3.24Å; R109-E112 WeakPolarHBondContact O-CB 3.24Å; R109-E112 WeakPolarHBondContact O-CG 3.36Å; R109-E112 PolarHBondContact O-N 2.85Å; E112-H121 VanDerWaalsContact OE1-CA 3.3Å; E112-H121 WeakPolarHBondContact OE1-CA 3.48Å; E112-H121 IonicContact OE1-CG 2.79Å; E112-H121 IonicContact OE1-ND1 2.71Å; E112-H121 PolarHBondContact OE1-ND1 2.94Å; E112-H121 VanDerWaalsContact OE1-ND1 3.14Å; E112-C122 HydrophobicContact CG-CB 4.2Å; E112-C122 PolarHBondContact OE1-N 3.11Å; E112-N123 WeakPolarHBondContact O-CB 3.33Å; E112-N123 PolarHBondContact O-ND2 3.27Å
113	S	81.3	Confident	81.5	Confident	107 Å²	107	59.5 Å²	59.5	75%	0.748	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-67.8	147.2	168.9	-61.7	0	0	0	0	111.1	N115	S113-N115 PolarHBondContact O-N 2.99Å
114	Y	83.8	Confident	82.3	Confident	156 Å²	156	60.3 Å²	60.3	61%	0.612	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-59.6	136.8	175.5	176.3	-100.1	0	0	0	111.7	A116 H121	Y114-A116 HydrophobicContact CE1-CB 4.07Å; Y114-H121 AromaticContact CD2-CD2 3.99Å; Y114-H121 AromaticContact CD2-CE1 3.75Å; Y114-H121 AromaticContact CD2-NE2 3.51Å; Y114-H121 AromaticContact CE2-NE2 3.43Å; Y114-H121 WeakPolarHBondContact CE2-NE2 3.35Å
115	N	78.3	Confident	82.4	Confident	62 Å²	62	60.4 Å²	60.4	33%	0.332	37%	0.371	S	S	.	.			trans	-143.6	110.2	179.9	178.7	-27.7	0	0	0	108.9	S113 Q117 N118 H121	S113-N115 PolarHBondContact O-N 2.99Å; N115-Q117 PolarHBondContact O-N 3.46Å; N115-Q117 VanDerWaalsContact OD1-CB 3.32Å; N115-Q117 WeakPolarHBondContact OD1-CB 3.4Å; N115-Q117 PolarHBondContact OD1-N 2.99Å; N115-Q117 PolarHBondContact OD1-OE1 3Å; N115-N118 PolarHBondContact O-N 2.83Å; N115-H121 PolarHBondContact N-CE1 3.3Å; N115-H121 VanDerWaalsContact N-CE1 3.34Å; N115-H121 PolarHBondContact O-CE1 3.43Å; N115-H121 PolarHBondContact O-NE2 3.42Å
116	A	78.2	Confident	82.6	Confident	69 Å²	69	58.6 Å²	58.6	57%	0.57	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14	-173.8	0	0	0	0	0	114.4	Y114	Y114-A116 HydrophobicContact CE1-CB 4.07Å
117	Q	71.7	Confident	82.5	Confident	150 Å²	150	62.5 Å²	62.5	70%	0.701	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-14.3	176.8	-64.9	79.2	-1.9	0	0	112.6	N115	N115-Q117 PolarHBondContact O-N 3.46Å; N115-Q117 VanDerWaalsContact OD1-CB 3.32Å; N115-Q117 WeakPolarHBondContact OD1-CB 3.4Å; N115-Q117 PolarHBondContact OD1-N 2.99Å; N115-Q117 PolarHBondContact OD1-OE1 3Å
118	N	78.8	Confident	82.4	Confident	28 Å²	28	63.8 Å²	63.8	15%	0.15	39%	0.388	C	S	.	.	S	Bend	trans	-77.6	138.1	176.5	-72.3	-11.1	0	0	0	110.6	R109 N115 C120	R109-N118 PolarHBondContact NH2-ND2 3.39Å; R109-N118 VanDerWaalsContact NH2-ND2 3.18Å; N115-N118 PolarHBondContact O-N 2.83Å; N118-C120 PolarHBondContact O-N 3.15Å
119	P	80.8	Confident	82.6	Confident	62 Å²	62	67.3 Å²	67.3	40%	0.403	38%	0.378	S	S	.	.	S	Bend	trans	-66.8	-25	175.3	28.8	-37.9	0	0	0	113.4	V100 T104	V100-P119 HydrophobicContact CG1-CB 3.34Å; V100-P119 HydrophobicContact CG1-CG 3.28Å; T104-P119 HydrophobicContact CG2-CG 3.97Å
120	C	88.8	Confident	82.7	Confident	12 Å²	12	72.9 Å²	72.9	8%	0.081	41%	0.41	C	S	.	.	S	Bend	trans	-157	158.7	-176.1	67.9	0	0	0	0	110.9	R109 N118 N131 C133	R109-C120 PolarHBondContact NH2-O 2.83Å; N118-C120 PolarHBondContact O-N 3.15Å; C120-N131 CarbonylContact C-O 3.55Å; C120-N131 VanDerWaalsContact CA-O 3.27Å; C120-N131 WeakPolarHBondContact CA-O 3.4Å; C120-C133 VanDerWaalsContact CB-CA 3.47Å; C120-C133 HydrophobicContact CB-CB 3.8Å; C120-C133 WeakPolarHBondContact CB-SG 3.31Å; C120-C133 WeakPolarHBondContact SG-CA 3.49Å; C120-C133 WeakPolarHBondContact SG-CB 3.42Å; C120-C133 CovalentContact SG-SG 2.03Å; C120-C133 PolarHBondContact SG-SG 3.37Å
121	H	89.4	Confident	83	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.019	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-121.5	149.6	-172.4	-71.2	-64.7	0	0	0	113.6	E112 Y114 N115 C126 N131 C132 C133	E112-H121 VanDerWaalsContact OE1-CA 3.3Å; E112-H121 WeakPolarHBondContact OE1-CA 3.48Å; E112-H121 IonicContact OE1-CG 2.79Å; E112-H121 IonicContact OE1-ND1 2.71Å; E112-H121 PolarHBondContact OE1-ND1 2.94Å; E112-H121 VanDerWaalsContact OE1-ND1 3.14Å; Y114-H121 AromaticContact CD2-CD2 3.99Å; Y114-H121 AromaticContact CD2-CE1 3.75Å; Y114-H121 AromaticContact CD2-NE2 3.51Å; Y114-H121 AromaticContact CE2-NE2 3.43Å; Y114-H121 WeakPolarHBondContact CE2-NE2 3.35Å; N115-H121 PolarHBondContact N-CE1 3.3Å; N115-H121 VanDerWaalsContact N-CE1 3.34Å; N115-H121 PolarHBondContact O-CE1 3.43Å; N115-H121 PolarHBondContact O-NE2 3.42Å; H121-C126 HydrophobicContact CB-CB 3.88Å; H121-N131 PolarHBondContact CD2-ND2 2.78Å; H121-N131 VanDerWaalsContact CD2-ND2 3.34Å; H121-N131 PolarHBondContact N-O 3.12Å; H121-C132 VanDerWaalsContact O-CA 3.3Å; H121-C132 WeakPolarHBondContact O-CA 3.5Å; H121-C133 PolarHBondContact O-N 3.32Å; H121-C133 VanDerWaalsContact O-N 3.12Å
122	C	89.3	Confident	83.4	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	38%	0.38	C	S	.	.			trans	-120.5	34.5	-179.9	-57.4	0	0	0	0	112.5	C106 R109 C110 G111 E112 C133 Y136	C106-C122 WeakPolarHBondContact CA-SG 3.37Å; C106-C122 HydrophobicContact CB-CB 3.9Å; C106-C122 WeakPolarHBondContact CB-SG 3.31Å; C106-C122 WeakPolarHBondContact SG-CB 3.16Å; C106-C122 CovalentContact SG-SG 2.03Å; C106-C122 PolarHBondContact SG-SG 3.28Å; R109-C122 HydrophobicContact CB-CB 4.12Å; R109-C122 VanDerWaalsContact O-CB 3.28Å; R109-C122 WeakPolarHBondContact O-CB 3.26Å; C110-C122 CarbonylContact C-O 3.43Å; C110-C122 WeakPolarHBondContact CA-O 3.45Å; G111-C122 PolarHBondContact N-O 3.42Å; E112-C122 HydrophobicContact CG-CB 4.2Å; E112-C122 PolarHBondContact OE1-N 3.11Å; C122-C133 PolarHBondContact SG-SG 3.28Å; C122-Y136 HydrophobicContact CB-CD2 4.35Å
123	N	85.5	Confident	83.8	Confident	21 Å²	21	69.1 Å²	69.1	11%	0.112	37%	0.374	C	S	.	.	S	Bend	trans	-111.2	163.6	177.7	64.5	48.1	0	0	0	112	E112 Q125 C126	E112-N123 WeakPolarHBondContact O-CB 3.33Å; E112-N123 PolarHBondContact O-ND2 3.27Å; N123-Q125 PolarHBondContact O-N 3.46Å; N123-Q125 PolarHBondContact OD1-N 2.96Å; N123-C126 WeakPolarHBondContact O-CB 3.38Å; N123-C126 PolarHBondContact O-N 2.91Å; N123-C126 PolarHBondContact O-SG 2.76Å; N123-C126 PolarHBondContact OD1-N 3.46Å; N123-C126 VanDerWaalsContact OD1-N 3.14Å
124	S	83.6	Confident	84.1	Confident	80 Å²	80	69.5 Å²	69.5	56%	0.559	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.7	-175.6	51.9	0	0	0	0	114.6
125	Q	83.9	Confident	84.2	Confident	91 Å²	91	63 Å²	63	43%	0.425	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.5	179.3	-60.7	-63.1	-26.4	0	0	112.7	N123 S127 Q128 Y129	N123-Q125 PolarHBondContact O-N 3.46Å; N123-Q125 PolarHBondContact OD1-N 2.96Å; Q125-S127 PolarHBondContact O-N 3.35Å; Q125-Q128 WeakPolarHBondContact O-CB 3.17Å; Q125-Q128 PolarHBondContact O-N 3.48Å; Q125-Q128 VanDerWaalsContact O-N 3.08Å; Q125-Y129 HydrophobicContact CB-CD2 4.18Å; Q125-Y129 HydrophobicContact CB-CE2 4.08Å; Q125-Y129 VanDerWaalsContact O-CD2 3.26Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.34Å; Q125-Y129 PolarHBondContact O-N 2.56Å
126	C	86.5	Confident	84.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.1	-171.6	73.3	0	0	0	0	113.3	H121 N123 Y129 N130 N131 C132	H121-C126 HydrophobicContact CB-CB 3.88Å; N123-C126 WeakPolarHBondContact O-CB 3.38Å; N123-C126 PolarHBondContact O-N 2.91Å; N123-C126 PolarHBondContact O-SG 2.76Å; N123-C126 PolarHBondContact OD1-N 3.46Å; N123-C126 VanDerWaalsContact OD1-N 3.14Å; C126-Y129 CarbonylContact O-C 3.54Å; C126-Y129 PolarHBondContact O-N 3.47Å; C126-N130 WeakPolarHBondContact O-CA 2.88Å; C126-N130 PolarHBondContact O-N 3.35Å; C126-N131 WeakPolarHBondContact CA-OD1 3.39Å; C126-N131 WeakPolarHBondContact CB-OD1 3.4Å; C126-N131 PolarHBondContact O-N 2.85Å; C126-N131 PolarHBondContact O-OD1 3.41Å; C126-C132 HydrophobicContact CB-CB 3.93Å; C126-C132 WeakPolarHBondContact CB-SG 3.46Å; C126-C132 VanDerWaalsContact SG-CA 3.51Å; C126-C132 WeakPolarHBondContact SG-CB 3.41Å; C126-C132 CovalentContact SG-SG 2.04Å; C126-C132 PolarHBondContact SG-SG 3.38Å
127	S	83.4	Confident	84.4	Confident	81 Å²	81	61.2 Å²	61.2	57%	0.566	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-32.8	178.7	-51.8	0	0	0	0	111.9	Q125 Y129 N130 C132	Q125-S127 PolarHBondContact O-N 3.35Å; S127-Y129 VanDerWaalsContact C-N 3.34Å; S127-N130 PolarHBondContact O-N 2.91Å; S127-C132 PolarHBondContact N-SG 2.88Å; S127-C132 PolarHBondContact OG-SG 3.32Å; S127-C132 VanDerWaalsContact OG-SG 3.4Å
128	Q	83.6	Confident	84.7	Confident	136 Å²	136	59.5 Å²	59.5	64%	0.636	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-38.2	175.5	178.6	178.7	-21.2	0	0	111.5	Q125	Q125-Q128 WeakPolarHBondContact O-CB 3.17Å; Q125-Q128 PolarHBondContact O-N 3.48Å; Q125-Q128 VanDerWaalsContact O-N 3.08Å
129	Y	81.8	Confident	84.5	Confident	154 Å²	154	62.9 Å²	62.9	60%	0.604	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	3.7	-179.4	-63.1	-74.8	0	0	0	113.5	Q125 C126 S127 N131	Q125-Y129 HydrophobicContact CB-CD2 4.18Å; Q125-Y129 HydrophobicContact CB-CE2 4.08Å; Q125-Y129 VanDerWaalsContact O-CD2 3.26Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.34Å; Q125-Y129 PolarHBondContact O-N 2.56Å; C126-Y129 CarbonylContact O-C 3.54Å; C126-Y129 PolarHBondContact O-N 3.47Å; S127-Y129 VanDerWaalsContact C-N 3.34Å; Y129-N131 VanDerWaalsContact C-N 3.25Å; Y129-N131 PolarHBondContact O-N 2.89Å
130	N	84	Confident	83.9	Confident	152 Å²	152	60 Å²	60	81%	0.813	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42	-179.4	-158.6	35.6	0	0	0	113.6	C126 S127	C126-N130 WeakPolarHBondContact O-CA 2.88Å; C126-N130 PolarHBondContact O-N 3.35Å; S127-N130 PolarHBondContact O-N 2.91Å
131	N	88.7	Confident	82.4	Confident	39 Å²	39	61.2 Å²	61.2	21%	0.209	33%	0.334	C	S	.	.			trans	-128	23.4	-176.6	66.4	5.4	0	0	0	112.7	C120 H121 C126 Y129	C120-N131 CarbonylContact C-O 3.55Å; C120-N131 VanDerWaalsContact CA-O 3.27Å; C120-N131 WeakPolarHBondContact CA-O 3.4Å; H121-N131 PolarHBondContact CD2-ND2 2.78Å; H121-N131 VanDerWaalsContact CD2-ND2 3.34Å; H121-N131 PolarHBondContact N-O 3.12Å; C126-N131 WeakPolarHBondContact CA-OD1 3.39Å; C126-N131 WeakPolarHBondContact CB-OD1 3.4Å; C126-N131 PolarHBondContact O-N 2.85Å; C126-N131 PolarHBondContact O-OD1 3.41Å; Y129-N131 VanDerWaalsContact C-N 3.25Å; Y129-N131 PolarHBondContact O-N 2.89Å
132	C	88.3	Confident	80.5	Confident	41 Å²	41	66.5 Å²	66.5	28%	0.277	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-65.6	148.6	175.3	-60.6	0	0	0	0	112.1	H121 C126 S127 Y136	H121-C132 VanDerWaalsContact O-CA 3.3Å; H121-C132 WeakPolarHBondContact O-CA 3.5Å; C126-C132 HydrophobicContact CB-CB 3.93Å; C126-C132 WeakPolarHBondContact CB-SG 3.46Å; C126-C132 VanDerWaalsContact SG-CA 3.51Å; C126-C132 WeakPolarHBondContact SG-CB 3.41Å; C126-C132 CovalentContact SG-SG 2.04Å; C126-C132 PolarHBondContact SG-SG 3.38Å; S127-C132 PolarHBondContact N-SG 2.88Å; S127-C132 PolarHBondContact OG-SG 3.32Å; S127-C132 VanDerWaalsContact OG-SG 3.4Å; C132-Y136 HydrophobicContact CB-CD1 4.46Å; C132-Y136 HydrophobicContact CB-CG 4.1Å
133	C	89.4	Confident	78.4	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.034	40%	0.398	C	S	.	.			trans	-64.8	151.3	166.4	-57.8	0	0	0	0	110.3	C106 C120 H121 C122 D135 Y136	C106-C133 VanDerWaalsContact SG-CB 3.56Å; C120-C133 VanDerWaalsContact CB-CA 3.47Å; C120-C133 HydrophobicContact CB-CB 3.8Å; C120-C133 WeakPolarHBondContact CB-SG 3.31Å; C120-C133 WeakPolarHBondContact SG-CA 3.49Å; C120-C133 WeakPolarHBondContact SG-CB 3.42Å; C120-C133 CovalentContact SG-SG 2.03Å; C120-C133 PolarHBondContact SG-SG 3.37Å; H121-C133 PolarHBondContact O-N 3.32Å; H121-C133 VanDerWaalsContact O-N 3.12Å; C122-C133 PolarHBondContact SG-SG 3.28Å; C133-D135 WeakPolarHBondContact CB-OD1 3.13Å; C133-D135 PolarHBondContact O-N 3.01Å; C133-Y136 WeakPolarHBondContact O-CB 3.2Å; C133-Y136 PolarHBondContact O-N 2.86Å
134	S	89.1	Confident	76.1	Confident	116 Å²	116	73.6 Å²	73.6	81%	0.811	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.7	-175.8	53.9	0	0	0	0	113.3
135	D	84.4	Confident	74	Confident	20 Å²	20	72.9 Å²	72.9	11%	0.107	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	13.6	177.9	67.5	-12.1	0	0	0	112.4	S105 C106 C133 S137 D138 Y139	S105-D135 WeakPolarHBondContact CA-OD1 3.5Å; S105-D135 WeakPolarHBondContact CA-OD2 3.45Å; S105-D135 WeakPolarHBondContact CB-OD2 3.23Å; S105-D135 PolarHBondContact OG-OD2 3.32Å; C106-D135 PolarHBondContact N-OD1 3.4Å; C106-D135 PolarHBondContact N-OD2 3.15Å; C106-D135 VanDerWaalsContact N-OD2 3.13Å; C133-D135 WeakPolarHBondContact CB-OD1 3.13Å; C133-D135 PolarHBondContact O-N 3.01Å; D135-S137 PolarHBondContact O-N 3.06Å; D135-D138 HydrophobicContact CB-CB 4.47Å; D135-D138 PolarHBondContact O-N 3.43Å; D135-Y139 HydrophobicContact CB-CD2 3.79Å; D135-Y139 HydrophobicContact CB-CE2 3.93Å; D135-Y139 WeakPolarHBondContact O-CD2 3.25Å; D135-Y139 PolarHBondContact O-N 3.34Å; D135-Y139 VanDerWaalsContact OD2-CD2 3.27Å; D135-Y139 WeakPolarHBondContact OD2-CD2 3.25Å; D135-Y139 WeakPolarHBondContact OD2-CE2 3.36Å
136	Y	81.6	Confident	72.1	Confident	26 Å²	26	70.3 Å²	70.3	10%	0.102	41%	0.413	C	S	.	.	H	α-helix	trans	-54.8	-40.5	175.9	178.6	-98.6	0	0	0	111	C106 C122 C132 C133 D138 C140 S141	C106-Y136 VanDerWaalsContact SG-CA 3.56Å; C122-Y136 HydrophobicContact CB-CD2 4.35Å; C132-Y136 HydrophobicContact CB-CD1 4.46Å; C132-Y136 HydrophobicContact CB-CG 4.1Å; C133-Y136 WeakPolarHBondContact O-CB 3.2Å; C133-Y136 PolarHBondContact O-N 2.86Å; Y136-D138 VanDerWaalsContact C-N 3.27Å; Y136-D138 PolarHBondContact O-N 3.36Å; Y136-C140 HydrophobicContact CD2-CB 3.61Å; Y136-C140 HydrophobicContact CE2-CB 3.5Å; Y136-C140 HydrophobicContact CG-CB 4.26Å; Y136-C140 CarbonylContact O-C 3.55Å; Y136-C140 VanDerWaalsContact O-CA 3.25Å; Y136-C140 WeakPolarHBondContact O-CA 3.4Å; Y136-C140 WeakPolarHBondContact O-CB 3.36Å; Y136-C140 PolarHBondContact O-N 2.9Å; Y136-S141 PolarHBondContact O-N 2.83Å
137	S	78.9	Confident	70.3	Confident	67 Å²	67	72.5 Å²	72.5	47%	0.469	43%	0.431	S	S	.	.	H	α-helix	trans	-66.5	-28.9	176	53.6	0	0	0	0	114.2	D135 S141	D135-S137 PolarHBondContact O-N 3.06Å; S137-S141 VanDerWaalsContact CA-OG 3.25Å; S137-S141 WeakPolarHBondContact CA-OG 3.43Å; S137-S141 WeakPolarHBondContact O-CB 3.35Å
138	D	78.4	Confident	69.8	Low	114 Å²	114	73.9 Å²	73.9	61%	0.61	44%	0.436	S	S	*	.	H	α-helix	trans	-85	-32	-173.2	-55.8	-22.1	0	0	0	111.2	D135 Y136	D135-D138 HydrophobicContact CB-CB 4.47Å; D135-D138 PolarHBondContact O-N 3.43Å; Y136-D138 VanDerWaalsContact C-N 3.27Å; Y136-D138 PolarHBondContact O-N 3.36Å
139	Y	74.8	Confident	70.1	Confident	98 Å²	98	68 Å²	68	38%	0.384	41%	0.409	S	S	.	.	H	α-helix	trans	-106.9	-35.5	-178.5	-69.1	-81.2	0	0	0	114.4	C106 N107 C110 D135 T142	C106-Y139 HydrophobicContact CB-CD2 4.41Å; C106-Y139 HydrophobicContact CB-CG 4.44Å; N107-Y139 HydrophobicContact CB-CD1 3.79Å; N107-Y139 HydrophobicContact CB-CD2 4.49Å; N107-Y139 HydrophobicContact CB-CE1 3.52Å; N107-Y139 HydrophobicContact CB-CE2 4.28Å; N107-Y139 HydrophobicContact CB-CG 4.27Å; C110-Y139 PolarHBondContact SG-O 3.47Å; C110-Y139 VanDerWaalsContact SG-O 3.35Å; D135-Y139 HydrophobicContact CB-CD2 3.79Å; D135-Y139 HydrophobicContact CB-CE2 3.93Å; D135-Y139 WeakPolarHBondContact O-CD2 3.25Å; D135-Y139 PolarHBondContact O-N 3.34Å; D135-Y139 VanDerWaalsContact OD2-CD2 3.27Å; D135-Y139 WeakPolarHBondContact OD2-CD2 3.25Å; D135-Y139 WeakPolarHBondContact OD2-CE2 3.36Å; Y139-T142 PolarHBondContact O-OG1 2.71Å; Y139-T142 VanDerWaalsContact O-OG1 3.07Å
140	C	69.4	Low	70.5	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.02	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-15.5	-172.5	-57.5	0	0	0	0	113.8	C106 C110 Y136 T142 G143 D144	C106-C140 VanDerWaalsContact CB-SG 3.51Å; C110-C140 WeakPolarHBondContact CA-SG 3.43Å; C110-C140 HydrophobicContact CB-CB 3.93Å; C110-C140 WeakPolarHBondContact CB-SG 3.4Å; C110-C140 WeakPolarHBondContact SG-CA 3.12Å; C110-C140 WeakPolarHBondContact SG-CB 3.3Å; C110-C140 CovalentContact SG-SG 2.04Å; C110-C140 PolarHBondContact SG-SG 3.4Å; Y136-C140 HydrophobicContact CD2-CB 3.61Å; Y136-C140 HydrophobicContact CE2-CB 3.5Å; Y136-C140 HydrophobicContact CG-CB 4.26Å; Y136-C140 CarbonylContact O-C 3.55Å; Y136-C140 VanDerWaalsContact O-CA 3.25Å; Y136-C140 WeakPolarHBondContact O-CA 3.4Å; Y136-C140 WeakPolarHBondContact O-CB 3.36Å; Y136-C140 PolarHBondContact O-N 2.9Å; C140-T142 PolarHBondContact O-N 3.48Å; C140-G143 CarbonylContact O-C 3.24Å; C140-G143 WeakPolarHBondContact O-CA 3.04Å; C140-G143 PolarHBondContact O-N 2.85Å; C140-D144 PolarHBondContact O-N 3.38Å
141	S	56.3	Low	70.7	Confident	36 Å²	36	59.8 Å²	59.8	25%	0.252	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.8	161.8	-63.9	0	0	0	0	111.5	Y136 S137 G143 S145	Y136-S141 PolarHBondContact O-N 2.83Å; S137-S141 VanDerWaalsContact CA-OG 3.25Å; S137-S141 WeakPolarHBondContact CA-OG 3.43Å; S137-S141 WeakPolarHBondContact O-CB 3.35Å; S141-G143 PolarHBondContact O-N 3.2Å; S141-S145 WeakPolarHBondContact O-CA 3.4Å; S141-S145 WeakPolarHBondContact O-CB 3.34Å; S141-S145 PolarHBondContact O-N 3.07Å; S141-S145 PolarHBondContact O-OG 2.86Å
142	T	49	Very low	70.8	Confident	115 Å²	115	61.3 Å²	61.3	71%	0.706	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.8	164.1	52	0	0	0	0	114	Y139 C140	Y139-T142 PolarHBondContact O-OG1 2.71Å; Y139-T142 VanDerWaalsContact O-OG1 3.07Å; C140-T142 PolarHBondContact O-N 3.48Å
143	G	45.1	Very low	71.1	Confident	64 Å²	64	62.1 Å²	62.1	66%	0.66	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-5.8	174.2	0	0	0	0	0	114.5	C140 S141	C140-G143 CarbonylContact O-C 3.24Å; C140-G143 WeakPolarHBondContact O-CA 3.04Å; C140-G143 PolarHBondContact O-N 2.85Å; S141-G143 PolarHBondContact O-N 3.2Å
144	D	38.8	Very low	71.5	Confident	108 Å²	108	61.9 Å²	61.9	58%	0.578	39%	0.394	S	S	*	.	S	Bend	trans	-139.9	19.7	172.2	-144.7	4.9	0	0	0	112.1	C140	C140-D144 PolarHBondContact O-N 3.38Å
145	S	38.8	Very low	71.9	Confident	65 Å²	65	60.6 Å²	60.6	46%	0.455	37%	0.374	S	S	.	.			trans	-118.7	65.2	164.5	-45.2	0	0	0	0	109.9	S141	S141-S145 WeakPolarHBondContact O-CA 3.4Å; S141-S145 WeakPolarHBondContact O-CB 3.34Å; S141-S145 PolarHBondContact O-N 3.07Å; S141-S145 PolarHBondContact O-OG 2.86Å
146	G	42.7	Very low	72.4	Confident	37 Å²	37	63.3 Å²	63.3	38%	0.381	39%	0.394	S	S	.	.	S	Bend		-68.2	114.7	124.9	0	0	0	0	0	103.5	T148 K265	G146-T148 PolarHBondContact O-N 3.31Å; G146-K265 WeakPolarHBondContact CA-O 3.24Å
147	A	50	Low	73.2	Confident	45 Å²	45	62.3 Å²	62.3	37%	0.372	39%	0.391	S	S	.	.			trans	-47	113	177.5	0	0	0	0	0	106.6	I149 K265	A147-I149 PolarHBondContact O-N 2.83Å; A147-K265 HydrophobicContact CB-CD 4.35Å; A147-K265 PolarHBondContact N-O 3.09Å; A147-K265 WeakPolarHBondContact O-CE 3.32Å; A147-K265 PolarHBondContact O-NZ 3.1Å
148	T	72.9	Confident	74.1	Confident	111 Å²	111	59.2 Å²	59.2	68%	0.681	37%	0.369	S	S	*	.			trans	-50.5	112.1	-166.6	-57.3	0	0	0	0	107.9	G146 T150	G146-T148 PolarHBondContact O-N 3.31Å; T148-T150 WeakPolarHBondContact O-CG2 3.03Å; T148-T150 PolarHBondContact O-N 2.87Å
149	I	89.9	Confident	75.1	Confident	11 Å²	11	56 Å²	56	6%	0.056	35%	0.35	C	S	.	.			trans	-62.2	109.5	-178.6	-67.6	167.9	0	0	0	105.1	A147 I154 F261 L262 K265 V267 A382 R383	A147-I149 PolarHBondContact O-N 2.83Å; I149-I154 HydrophobicContact CG2-CD1 4Å; I149-I154 HydrophobicContact CG2-CG1 3.46Å; I149-I154 VanDerWaalsContact CG2-CG1 3.46Å; I149-F261 HydrophobicContact CD1-CE1 3.95Å; I149-F261 HydrophobicContact CG1-CE1 3.96Å; I149-F261 HydrophobicContact CG1-CZ 4.25Å; I149-F261 HydrophobicContact CG2-CE1 3.89Å; I149-F261 HydrophobicContact CG2-CZ 3.86Å; I149-L262 HydrophobicContact CD1-CD2 3.79Å; I149-K265 HydrophobicContact CG1-CB 4.29Å; I149-K265 HydrophobicContact CG1-CG 4.11Å; I149-V267 HydrophobicContact CD1-CG2 4.1Å; I149-A382 HydrophobicContact CB-CB 4.11Å; I149-A382 HydrophobicContact CD1-CB 4.03Å; I149-A382 HydrophobicContact CG2-CB 4Å; I149-R383 VanDerWaalsContact O-CZ 3.24Å; I149-R383 PolarHBondContact O-NH1 3.24Å; I149-R383 PolarHBondContact O-NH2 2.85Å
150	T	89.5	Confident	76.2	Confident	64 Å²	64	53.8 Å²	53.8	39%	0.393	35%	0.347	S	S	.	.			trans	-76.8	156.8	-174	64.2	0	0	0	0	110.6	T148 A152 E153 I154	T148-T150 WeakPolarHBondContact O-CG2 3.03Å; T148-T150 PolarHBondContact O-N 2.87Å; T150-A152 PolarHBondContact O-N 2.96Å; T150-E153 WeakPolarHBondContact CB-OE2 3.3Å; T150-E153 WeakPolarHBondContact CG2-OE2 3.48Å; T150-E153 PolarHBondContact N-OE2 3.02Å; T150-E153 PolarHBondContact O-N 3.4Å; T150-E153 VanDerWaalsContact O-N 3.12Å; T150-E153 WeakPolarHBondContact OG1-CB 3.07Å; T150-E153 WeakPolarHBondContact OG1-CG 3.41Å; T150-E153 PolarHBondContact OG1-N 3.21Å; T150-E153 PolarHBondContact OG1-OE2 3.05Å; T150-I154 WeakPolarHBondContact O-CG1 3.28Å; T150-I154 PolarHBondContact O-N 2.03Å
151	D	89.4	Confident	77.6	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-30.1	176.6	-69.6	-9.3	0	0	0	112.2	K155 R383	D151-K155 VanDerWaalsContact O-CG 3.29Å; D151-K155 WeakPolarHBondContact O-CG 3.4Å; D151-K155 PolarHBondContact O-N 3.46Å; D151-K155 VanDerWaalsContact O-N 3.07Å; D151-R383 IonicContact OD1-CZ 3.88Å; D151-R383 IonicContact OD1-NE 3.14Å; D151-R383 PolarHBondContact OD1-NE 2.96Å; D151-R383 IonicContact OD1-NH2 3.08Å; D151-R383 PolarHBondContact OD1-NH2 2.86Å
152	A	89.8	Confident	79.5	Confident	72 Å²	72	53.8 Å²	53.8	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-67.3	-42.7	175.1	0	0	0	0	0	111.6	T150 K155 S156	T150-A152 PolarHBondContact O-N 2.96Å; A152-K155 PolarHBondContact O-N 2.03Å; A152-S156 WeakPolarHBondContact O-CB 3.07Å; A152-S156 PolarHBondContact O-N 3.28Å
153	E	95	Very high	81.8	Confident	58 Å²	58	51.8 Å²	51.8	27%	0.271	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-41.4	175.1	-71.7	165.8	134.7	0	0	111.6	T150 K155 S156 L157 F261 K265	T150-E153 WeakPolarHBondContact CB-OE2 3.3Å; T150-E153 WeakPolarHBondContact CG2-OE2 3.48Å; T150-E153 PolarHBondContact N-OE2 3.02Å; T150-E153 PolarHBondContact O-N 3.4Å; T150-E153 VanDerWaalsContact O-N 3.12Å; T150-E153 WeakPolarHBondContact OG1-CB 3.07Å; T150-E153 WeakPolarHBondContact OG1-CG 3.41Å; T150-E153 PolarHBondContact OG1-N 3.21Å; T150-E153 PolarHBondContact OG1-OE2 3.05Å; E153-K155 PolarHBondContact O-N 3.12Å; E153-S156 PolarHBondContact O-N 2.96Å; E153-L157 VanDerWaalsContact O-CB 3.28Å; E153-L157 WeakPolarHBondContact O-CB 3.44Å; E153-L157 PolarHBondContact O-N 3.03Å; E153-F261 HydrophobicContact CB-CE2 4.08Å; E153-F261 HydrophobicContact CB-CZ 3.93Å; E153-K265 IonicContact OE1-NZ 3.29Å; E153-K265 PolarHBondContact OE1-NZ 3.35Å; E153-K265 IonicContact OE2-NZ 2.85Å; E153-K265 PolarHBondContact OE2-NZ 2.86Å
154	I	97.4	Very high	84.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-47.1	176.1	-66.4	173.4	0	0	0	110.7	I149 T150 L157 S158 A382 R383 Y389 L390	I149-I154 HydrophobicContact CG2-CD1 4Å; I149-I154 HydrophobicContact CG2-CG1 3.46Å; I149-I154 VanDerWaalsContact CG2-CG1 3.46Å; T150-I154 WeakPolarHBondContact O-CG1 3.28Å; T150-I154 PolarHBondContact O-N 2.03Å; I154-L157 PolarHBondContact O-N 3.26Å; I154-S158 WeakPolarHBondContact O-CB 3.32Å; I154-S158 PolarHBondContact O-N 3.26Å; I154-S158 PolarHBondContact O-OG 2.83Å; I154-A382 HydrophobicContact CD1-CB 3.86Å; I154-A382 HydrophobicContact CG1-CB 4.46Å; I154-R383 HydrophobicContact CD1-CG 4.1Å; I154-Y389 WeakPolarHBondContact CG2-O 3.48Å; I154-L390 HydrophobicContact CG2-CD2 3.43Å; I154-L390 VanDerWaalsContact CG2-CD2 3.43Å; I154-L390 HydrophobicContact CG2-CG 4.22Å
155	K	96.9	Very high	87.1	Confident	89 Å²	89	45 Å²	45	39%	0.387	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-40.9	177.4	-72.2	173.6	-179.7	179.9	0	112.5	D151 A152 E153 S158 E159 Y389	D151-K155 VanDerWaalsContact O-CG 3.29Å; D151-K155 WeakPolarHBondContact O-CG 3.4Å; D151-K155 PolarHBondContact O-N 3.46Å; D151-K155 VanDerWaalsContact O-N 3.07Å; A152-K155 PolarHBondContact O-N 2.03Å; E153-K155 PolarHBondContact O-N 3.12Å; K155-S158 PolarHBondContact O-OG 3.37Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 3.33Å; K155-Y389 WeakPolarHBondContact CG-O 3.3Å
156	S	96	Very high	89.8	Confident	76 Å²	76	46.8 Å²	46.8	53%	0.531	29%	0.294	S	S	.	.	H	α-helix	trans	-67.1	-43.3	178.6	-170.2	0	0	0	0	111.4	A152 E153 E159 T160	A152-S156 WeakPolarHBondContact O-CB 3.07Å; A152-S156 PolarHBondContact O-N 3.28Å; E153-S156 PolarHBondContact O-N 2.96Å; S156-E159 PolarHBondContact O-N 3.48Å; S156-T160 PolarHBondContact O-N 2.04Å; S156-T160 VanDerWaalsContact O-N 3.17Å; S156-T160 PolarHBondContact O-OG1 3.22Å
157	L	98.3	Very high	92.5	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-41.3	178.6	-179	61.8	0	0	0	111	E153 I154 E159 T160 L161 E257 L258 F261 L378	E153-L157 VanDerWaalsContact O-CB 3.28Å; E153-L157 WeakPolarHBondContact O-CB 3.44Å; E153-L157 PolarHBondContact O-N 3.03Å; I154-L157 PolarHBondContact O-N 3.26Å; L157-E159 VanDerWaalsContact C-N 3.3Å; L157-E159 PolarHBondContact O-N 3.06Å; L157-T160 CarbonylContact O-C 3.48Å; L157-T160 WeakPolarHBondContact O-CA 3.19Å; L157-T160 WeakPolarHBondContact O-CB 3.35Å; L157-T160 PolarHBondContact O-N 3.47Å; L157-L161 HydrophobicContact CD1-CD1 4.38Å; L157-L161 HydrophobicContact CD1-CD2 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.06Å; L157-L161 HydrophobicContact CD2-CD1 4.5Å; L157-L161 HydrophobicContact CG-CD1 3.98Å; L157-L161 HydrophobicContact CG-CG 4.1Å; L157-L161 WeakPolarHBondContact O-CG 3.13Å; L157-L161 PolarHBondContact O-N 3.23Å; L157-E257 HydrophobicContact CD1-CG 4.17Å; L157-L258 HydrophobicContact CD2-CD1 4.18Å; L157-F261 HydrophobicContact CD1-CB 4.12Å; L157-F261 HydrophobicContact CD1-CG 4.29Å; L157-F261 HydrophobicContact CD2-CB 3.92Å; L157-F261 HydrophobicContact CD2-CD1 3.37Å; L157-F261 HydrophobicContact CD2-CD2 4.07Å; L157-F261 HydrophobicContact CD2-CE1 3.81Å; L157-F261 HydrophobicContact CD2-CE2 4.46Å; L157-F261 HydrophobicContact CD2-CG 3.51Å; L157-F261 HydrophobicContact CD2-CZ 4.34Å; L157-F261 HydrophobicContact CG-CG 4.45Å; L157-L378 HydrophobicContact CD2-CD1 3.81Å; L157-L378 HydrophobicContact CD2-CD2 3.7Å; L157-L378 HydrophobicContact CD2-CG 4.38Å; L157-L378 HydrophobicContact CG-CD2 4.2Å
158	S	98.4	Very high	94.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-36.3	179.4	68.1	0	0	0	0	113.2	I154 K155 T160 F162 L390 S391	I154-S158 WeakPolarHBondContact O-CB 3.32Å; I154-S158 PolarHBondContact O-N 3.26Å; I154-S158 PolarHBondContact O-OG 2.83Å; K155-S158 PolarHBondContact O-OG 3.37Å; S158-T160 VanDerWaalsContact C-N 3.35Å; S158-F162 VanDerWaalsContact O-CB 3.27Å; S158-F162 WeakPolarHBondContact O-CB 3.32Å; S158-F162 PolarHBondContact O-N 3.04Å; S158-L390 VanDerWaalsContact CB-CD2 3.48Å; S158-S391 CarbonylContact C-O 3.51Å; S158-S391 WeakPolarHBondContact CB-O 3.07Å; S158-S391 PolarHBondContact OG-N 3.21Å; S158-S391 PolarHBondContact OG-O 3.14Å
159	E	97.9	Very high	95.9	Very high	47 Å²	47	41.9 Å²	41.9	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-38.8	171.9	-69	-66.9	174.8	0	0	111.9	K155 S156 L157 F162 A163 S391 L392 G393 G394	K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 3.33Å; S156-E159 PolarHBondContact O-N 3.48Å; L157-E159 VanDerWaalsContact C-N 3.3Å; L157-E159 PolarHBondContact O-N 3.06Å; E159-F162 PolarHBondContact O-N 3.34Å; E159-A163 PolarHBondContact O-N 3.04Å; E159-S391 WeakPolarHBondContact OE1-CB 3.47Å; E159-S391 PolarHBondContact OE1-OG 3.35Å; E159-L392 PolarHBondContact OE1-N 3.03Å; E159-L392 VanDerWaalsContact OE1-N 3.1Å; E159-G393 PolarHBondContact OE1-N 2.84Å; E159-G393 VanDerWaalsContact OE1-N 3.16Å; E159-G393 PolarHBondContact OE2-N 3.34Å; E159-G394 WeakPolarHBondContact OE1-CA 3.28Å; E159-G394 PolarHBondContact OE1-N 2.99Å
160	T	98.3	Very high	96.2	Very high	52 Å²	52	43.5 Å²	43.5	32%	0.319	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-49.7	176.2	-54.5	0	0	0	0	110.4	S156 L157 S158 F162 A163 L164 E257	S156-T160 PolarHBondContact O-N 2.04Å; S156-T160 VanDerWaalsContact O-N 3.17Å; S156-T160 PolarHBondContact O-OG1 3.22Å; L157-T160 CarbonylContact O-C 3.48Å; L157-T160 WeakPolarHBondContact O-CA 3.19Å; L157-T160 WeakPolarHBondContact O-CB 3.35Å; L157-T160 PolarHBondContact O-N 3.47Å; S158-T160 VanDerWaalsContact C-N 3.35Å; T160-F162 VanDerWaalsContact C-N 3.3Å; T160-F162 PolarHBondContact O-N 2.7Å; T160-A163 PolarHBondContact O-N 2.95Å; T160-L164 HydrophobicContact CG2-CD1 4.04Å; T160-L164 WeakPolarHBondContact O-CB 3.38Å; T160-L164 VanDerWaalsContact O-CG 3.31Å; T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 3.27Å; T160-E257 HydrophobicContact CG2-CG 3.96Å
161	L	98.3	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-37.1	177.3	-62.4	177.2	0	0	0	111.8	L157 L164 D165 L254 E257 L258 A374 L375	L157-L161 HydrophobicContact CD1-CD1 4.38Å; L157-L161 HydrophobicContact CD1-CD2 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.06Å; L157-L161 HydrophobicContact CD2-CD1 4.5Å; L157-L161 HydrophobicContact CG-CD1 3.98Å; L157-L161 HydrophobicContact CG-CG 4.1Å; L157-L161 WeakPolarHBondContact O-CG 3.13Å; L157-L161 PolarHBondContact O-N 3.23Å; L161-L164 CarbonylContact O-C 3.6Å; L161-L164 PolarHBondContact O-N 2.79Å; L161-D165 PolarHBondContact O-N 3.16Å; L161-L254 HydrophobicContact CB-CG 4.2Å; L161-L254 HydrophobicContact CD2-CD2 4.15Å; L161-L254 HydrophobicContact CD2-CG 3.91Å; L161-L254 VanDerWaalsContact CD2-O 3.26Å; L161-L254 WeakPolarHBondContact CD2-O 3.48Å; L161-L254 WeakPolarHBondContact O-CD1 3.45Å; L161-E257 HydrophobicContact CD2-CB 4.17Å; L161-E257 HydrophobicContact CD2-CG 4.25Å; L161-L258 HydrophobicContact CD2-CB 4.27Å; L161-A374 HydrophobicContact CD1-CB 4.41Å; L161-L375 HydrophobicContact CD1-CD2 3.81Å
162	F	96.8	Very high	96.8	Very high	39 Å²	39	44 Å²	44	17%	0.171	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-40	174.8	172	-115.2	0	0	0	113.5	S158 E159 T160 L164 D165 K168 P344 F371 L392	S158-F162 VanDerWaalsContact O-CB 3.27Å; S158-F162 WeakPolarHBondContact O-CB 3.32Å; S158-F162 PolarHBondContact O-N 3.04Å; E159-F162 PolarHBondContact O-N 3.34Å; T160-F162 VanDerWaalsContact C-N 3.3Å; T160-F162 PolarHBondContact O-N 2.7Å; F162-L164 VanDerWaalsContact C-N 3.33Å; F162-D165 PolarHBondContact O-N 3.25Å; F162-K168 PolarHBondContact O-NZ 3.37Å; F162-P344 HydrophobicContact CD2-CG 3.82Å; F162-P344 VanDerWaalsContact CE2-CD 3.5Å; F162-P344 HydrophobicContact CE2-CG 3.58Å; F162-F371 HydrophobicContact CB-CE2 3.96Å; F162-F371 HydrophobicContact CB-CZ 4.49Å; F162-F371 HydrophobicContact CD2-CE2 4.43Å; F162-F371 HydrophobicContact CD2-CZ 4.49Å; F162-L392 HydrophobicContact CB-CD1 3.66Å; F162-L392 HydrophobicContact CD1-CD1 4.27Å; F162-L392 HydrophobicContact CD2-CD1 3.17Å; F162-L392 HydrophobicContact CD2-CG 3.97Å; F162-L392 HydrophobicContact CE2-CD1 3.74Å; F162-L392 HydrophobicContact CE2-CG 4.03Å; F162-L392 HydrophobicContact CG-CD1 3.45Å; F162-L392 VanDerWaalsContact CG-CD1 3.45Å; F162-L392 HydrophobicContact CG-CG 4.34Å
163	A	96.4	Very high	97.2	Very high	73 Å²	73	41.6 Å²	41.6	60%	0.603	25%	0.25	S	S	*	.	H	α-helix	trans	-66.7	-37.4	173.6	0	0	0	0	0	111.6	E159 T160 D165	E159-A163 PolarHBondContact O-N 3.04Å; T160-A163 PolarHBondContact O-N 2.95Å; A163-D165 VanDerWaalsContact C-N 3.32Å
164	L	98.2	Very high	97.4	Very high	29 Å²	29	38.9 Å²	38.9	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-79	-9.5	179.1	-68.2	177.3	0	0	0	114.5	T160 L161 F162 T166 E253 L254 E257	T160-L164 HydrophobicContact CG2-CD1 4.04Å; T160-L164 WeakPolarHBondContact O-CB 3.38Å; T160-L164 VanDerWaalsContact O-CG 3.31Å; T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 3.27Å; L161-L164 CarbonylContact O-C 3.6Å; L161-L164 PolarHBondContact O-N 2.79Å; F162-L164 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.08Å; L164-E253 HydrophobicContact CD1-CG 4.3Å; L164-E253 HydrophobicContact CD2-CB 4.32Å; L164-E253 VanDerWaalsContact CD2-CD 3.46Å; L164-E253 HydrophobicContact CD2-CG 3.75Å; L164-L254 HydrophobicContact CB-CB 3.97Å; L164-E257 HydrophobicContact CD1-CB 3.61Å; L164-E257 HydrophobicContact CD1-CG 3.8Å
165	D	97.9	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.254	C	S	.	.			trans	-71.6	76.3	174.2	-170.3	3.6	0	0	0	110.4	L161 F162 A163 N167 K168 L254 S368 F371	L161-D165 PolarHBondContact O-N 3.16Å; F162-D165 PolarHBondContact O-N 3.25Å; A163-D165 VanDerWaalsContact C-N 3.32Å; D165-N167 VanDerWaalsContact C-N 3.33Å; D165-K168 VanDerWaalsContact O-CG 3.27Å; D165-K168 WeakPolarHBondContact O-CG 3.4Å; D165-K168 PolarHBondContact O-NZ 2.96Å; D165-K168 PolarHBondContact OD1-N 3.12Å; D165-K168 VanDerWaalsContact OD1-N 3.12Å; D165-K168 WeakPolarHBondContact OD2-CB 3.32Å; D165-L254 HydrophobicContact CB-CD1 3.86Å; D165-S368 VanDerWaalsContact CG-OG 3.22Å; D165-S368 WeakPolarHBondContact OD1-CB 3.44Å; D165-S368 PolarHBondContact OD1-OG 2.78Å; D165-S368 PolarHBondContact OD2-N 3.39Å; D165-S368 PolarHBondContact OD2-OG 3.03Å; D165-F371 HydrophobicContact CB-CB 4.33Å; D165-F371 HydrophobicContact CB-CD2 3.85Å; D165-F371 HydrophobicContact CB-CG 4.38Å; D165-F371 VanDerWaalsContact OD2-CB 3.29Å; D165-F371 WeakPolarHBondContact OD2-CB 3.26Å; D165-F371 WeakPolarHBondContact OD2-CG 3.46Å
166	T	96.5	Very high	97.4	Very high	102 Å²	102	39.4 Å²	39.4	63%	0.626	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.5	-179.8	52.7	0	0	0	0	112.3	L164	L164-T166 PolarHBondContact O-N 3.08Å
167	N	97.8	Very high	97.5	Very high	36 Å²	36	37.2 Å²	37.2	19%	0.193	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3	177.6	-76.7	-33.1	0	0	0	113.4	D165 R210 Y213 E370	D165-N167 VanDerWaalsContact C-N 3.33Å; N167-R210 PolarHBondContact O-NH1 3.31Å; N167-Y213 HydrophobicContact CB-CE2 4.26Å; N167-Y213 WeakPolarHBondContact O-CE2 3.5Å; N167-Y213 PolarHBondContact O-OH 2.04Å; N167-Y213 VanDerWaalsContact O-OH 3.05Å; N167-E370 WeakPolarHBondContact CB-OE1 3.14Å; N167-E370 PolarHBondContact ND2-OE1 2.89Å
168	K	97.1	Very high	97.4	Very high	53 Å²	53	39 Å²	39	23%	0.23	24%	0.237	C	C	.	.	S	Bend	trans	-60.1	157.8	171.6	68.2	-177	162.2	-92.2	0	113	F162 D165 R210 G366	F162-K168 PolarHBondContact O-NZ 3.37Å; D165-K168 VanDerWaalsContact O-CG 3.27Å; D165-K168 WeakPolarHBondContact O-CG 3.4Å; D165-K168 PolarHBondContact O-NZ 2.96Å; D165-K168 PolarHBondContact OD1-N 3.12Å; D165-K168 VanDerWaalsContact OD1-N 3.12Å; D165-K168 WeakPolarHBondContact OD2-CB 3.32Å; K168-R210 PolarHBondContact O-NH1 3.45Å; K168-G366 WeakPolarHBondContact CB-O 3.49Å
169	A	97.6	Very high	97.3	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-73.3	136.4	171.5	0	0	0	0	0	110.6	L174 L207 Y343 G366	A169-L174 HydrophobicContact CB-CB 3.72Å; A169-L174 HydrophobicContact CB-CD2 4.03Å; A169-L207 HydrophobicContact CB-CD1 4.02Å; A169-L207 HydrophobicContact CB-CD2 4.07Å; A169-Y343 WeakPolarHBondContact O-CB 3.26Å; A169-G366 PolarHBondContact N-O 2.97Å
170	S	96.3	Very high	97.2	Very high	45 Å²	45	40.2 Å²	40.2	32%	0.315	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-83	164.9	167.3	68.9	0	0	0	0	111.6	S172 Q173 L174	S170-S172 PolarHBondContact O-N 2.67Å; S170-S172 PolarHBondContact OG-N 2.91Å; S170-S172 PolarHBondContact OG-OG 3.5Å; S170-Q173 VanDerWaalsContact N-OE1 3.11Å; S170-Q173 PolarHBondContact O-N 2.67Å; S170-Q173 WeakPolarHBondContact OG-CG 3.45Å; S170-Q173 PolarHBondContact OG-N 3.21Å; S170-Q173 PolarHBondContact OG-OE1 3.05Å; S170-Q173 VanDerWaalsContact OG-OE1 3.04Å; S170-L174 PolarHBondContact O-N 2.95Å; S170-L174 VanDerWaalsContact O-N 3.09Å
171	A	95.5	Very high	97.2	Very high	55 Å²	55	43.3 Å²	43.3	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.7	172.5	0	0	0	0	0	114.5
172	S	96.6	Very high	97	Very high	88 Å²	88	43.7 Å²	43.7	62%	0.615	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-22.7	176.1	67.6	0	0	0	0	113.7	S170 F201	S170-S172 PolarHBondContact O-N 2.67Å; S170-S172 PolarHBondContact OG-N 2.91Å; S170-S172 PolarHBondContact OG-OG 3.5Å; S172-F201 WeakPolarHBondContact O-CE1 3.45Å
173	Q	98	Very high	96.9	Very high	23 Å²	23	44.2 Å²	44.2	11%	0.107	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-15.4	-176.6	-67.5	173	-61.2	0	0	112.8	S170 V202 D203 L207 R210	S170-Q173 VanDerWaalsContact N-OE1 3.11Å; S170-Q173 PolarHBondContact O-N 2.67Å; S170-Q173 WeakPolarHBondContact OG-CG 3.45Å; S170-Q173 PolarHBondContact OG-N 3.21Å; S170-Q173 PolarHBondContact OG-OE1 3.05Å; S170-Q173 VanDerWaalsContact OG-OE1 3.04Å; Q173-V202 CarbonylContact O-C 3.51Å; Q173-V202 WeakPolarHBondContact O-CA 3.36Å; Q173-D203 HydrophobicContact CB-CB 4.01Å; Q173-D203 HydrophobicContact CG-CB 4.12Å; Q173-D203 PolarHBondContact O-N 3.4Å; Q173-L207 HydrophobicContact CB-CD1 4.24Å; Q173-L207 HydrophobicContact CB-CD2 4.5Å; Q173-L207 HydrophobicContact CB-CG 4.39Å; Q173-R210 VanDerWaalsContact NE2-NH2 3.13Å
174	L	98.4	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	122.1	178.9	176.1	60.6	0	0	0	109.2	A169 S170 L176 Y199 F201 V202 W317 Y343 I365 G366	A169-L174 HydrophobicContact CB-CB 3.72Å; A169-L174 HydrophobicContact CB-CD2 4.03Å; S170-L174 PolarHBondContact O-N 2.95Å; S170-L174 VanDerWaalsContact O-N 3.09Å; L174-L176 HydrophobicContact CD1-CD2 4.1Å; L174-L176 HydrophobicContact CG-CD2 4.47Å; L174-Y199 HydrophobicContact CD1-CD1 3.72Å; L174-Y199 HydrophobicContact CD1-CE1 4.05Å; L174-F201 WeakPolarHBondContact CA-O 3.31Å; L174-V202 HydrophobicContact CD1-CG2 3.73Å; L174-W317 HydrophobicContact CD1-CZ3 4.07Å; L174-W317 HydrophobicContact CD2-CE3 4.46Å; L174-W317 HydrophobicContact CD2-CH2 4.24Å; L174-W317 HydrophobicContact CD2-CZ3 4.16Å; L174-Y343 HydrophobicContact CB-CD2 4.31Å; L174-Y343 HydrophobicContact CB-CE2 3.69Å; L174-Y343 HydrophobicContact CD2-CD1 3.95Å; L174-Y343 HydrophobicContact CD2-CD2 4.31Å; L174-Y343 HydrophobicContact CD2-CE1 3.65Å; L174-Y343 HydrophobicContact CD2-CE2 4.03Å; L174-Y343 HydrophobicContact CD2-CG 4.27Å; L174-Y343 HydrophobicContact CG-CE1 3.99Å; L174-Y343 HydrophobicContact CG-CE2 3.86Å; L174-Y343 WeakPolarHBondContact O-CE2 3.48Å; L174-Y343 PolarHBondContact O-OH 2.79Å; L174-I365 HydrophobicContact CD2-CG2 4Å; L174-G366 VanDerWaalsContact CD2-CA 3.42Å
175	I	98	Very high	96.2	Very high	69 Å²	69	47.5 Å²	47.5	35%	0.354	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.5	177.9	-52.8	175.2	0	0	0	107.8	K200 F201	I175-K200 HydrophobicContact CG2-CB 4.35Å; I175-K200 HydrophobicContact CG2-CD 4.17Å; I175-K200 WeakPolarHBondContact O-CB 3.32Å; I175-K200 PolarHBondContact O-N 3.34Å; I175-F201 HydrophobicContact CB-CB 4.04Å; I175-F201 HydrophobicContact CD1-CB 4.09Å; I175-F201 HydrophobicContact CD1-CD1 4.12Å; I175-F201 HydrophobicContact CD1-CG 4.44Å; I175-F201 HydrophobicContact CG1-CB 4.18Å; I175-F201 HydrophobicContact CG1-CD1 4.23Å; I175-F201 PolarHBondContact N-O 2.81Å; I175-F201 PolarHBondContact O-N 2.99Å; I175-F201 VanDerWaalsContact O-N 3.09Å
176	L	97.8	Very high	96	Very high	31 Å²	31	52.2 Å²	52.2	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	153.1	176.3	-56.6	178.2	0	0	0	111.6	L174 L198 Y199 Y343 L347 I365	L174-L176 HydrophobicContact CD1-CD2 4.1Å; L174-L176 HydrophobicContact CG-CD2 4.47Å; L176-L198 CarbonylContact C-O 3.51Å; L176-L198 VanDerWaalsContact CA-O 3.29Å; L176-L198 WeakPolarHBondContact CA-O 3.36Å; L176-L198 HydrophobicContact CB-CD1 4.4Å; L176-L198 HydrophobicContact CD2-CG 4.33Å; L176-Y199 HydrophobicContact CD2-CD1 3.69Å; L176-Y199 HydrophobicContact CD2-CE1 3.77Å; L176-Y199 HydrophobicContact CD2-CG 4.31Å; L176-Y343 HydrophobicContact CD1-CE1 4.01Å; L176-Y343 HydrophobicContact CG-CE1 4.3Å; L176-L347 HydrophobicContact CD1-CD1 4.14Å; L176-I365 HydrophobicContact CD1-CB 4.47Å; L176-I365 HydrophobicContact CD1-CG2 3.77Å; L176-I365 HydrophobicContact CD2-CG2 4.07Å; L176-I365 HydrophobicContact CG-CG2 4.43Å
177	D	97.5	Very high	95.8	Very high	31 Å²	31	47.7 Å²	47.7	17%	0.166	28%	0.284	C	S	.	.			trans	-123.3	82.6	164.2	-174.1	9.6	0	0	0	108.7	Q179 R196 L198 K200	D177-Q179 WeakPolarHBondContact O-CG 3.36Å; D177-Q179 PolarHBondContact O-N 2.91Å; D177-Q179 PolarHBondContact O-NE2 3.32Å; D177-Q179 VanDerWaalsContact O-NE2 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.44Å; D177-R196 IonicContact OD1-NH2 3.29Å; D177-R196 PolarHBondContact OD1-NH2 3.36Å; D177-R196 IonicContact OD2-CZ 3.96Å; D177-R196 IonicContact OD2-NE 3.42Å; D177-R196 PolarHBondContact OD2-NE 3.48Å; D177-R196 IonicContact OD2-NH2 3.62Å; D177-R196 PolarHBondContact OD2-NH2 3.1Å; D177-L198 PolarHBondContact N-O 2.68Å; D177-K200 HydrophobicContact CB-CB 4.28Å
178	P	95.2	Very high	95.5	Very high	42 Å²	42	49.3 Å²	49.3	27%	0.273	30%	0.299	S	S	.	.			trans	-70.5	-12.5	-171.6	28.5	-35.6	0	0	0	113.9	A180 L198 Y331 H334	P178-A180 PolarHBondContact O-N 2.89Å; P178-L198 HydrophobicContact CB-CD1 4.36Å; P178-Y331 PolarHBondContact O-OH 3.48Å; P178-H334 PolarHBondContact O-CE1 3.25Å; P178-H334 PolarHBondContact O-ND1 3.36Å
179	Q	97.1	Very high	95.3	Very high	51 Å²	51	49.6 Å²	49.6	24%	0.238	31%	0.308	C	S	.	.			trans	52.6	-104.5	172.8	-65.5	163.6	90.5	0	0	114.2	D177 S195 R196	D177-Q179 WeakPolarHBondContact O-CG 3.36Å; D177-Q179 PolarHBondContact O-N 2.91Å; D177-Q179 PolarHBondContact O-NE2 3.32Å; D177-Q179 VanDerWaalsContact O-NE2 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.44Å; Q179-S195 VanDerWaalsContact OE1-N 3.13Å; Q179-R196 PolarHBondContact NE2-O 3.49Å; Q179-R196 PolarHBondContact OE1-O 3.42Å
180	A	97	Very high	95	Very high	23 Å²	23	56.2 Å²	56.2	19%	0.19	34%	0.336	C	S	.	.			trans	-98.3	118	-169.6	0	0	0	0	0	112.7	P178 L193 S333 H334	P178-A180 PolarHBondContact O-N 2.89Å; A180-L193 HydrophobicContact CB-CB 3.66Å; A180-L193 HydrophobicContact CB-CD1 4.5Å; A180-S333 WeakPolarHBondContact O-CB 3.31Å; A180-H334 PolarHBondContact O-CE1 2.87Å; A180-H334 PolarHBondContact O-N 3.25Å; A180-H334 PolarHBondContact O-ND1 3.11Å; A180-H334 VanDerWaalsContact O-ND1 3.11Å
181	L	96.3	Very high	94.9	Very high	117 Å²	117	56.8 Å²	56.8	61%	0.613	34%	0.34	S	S	*	.	B	Isolated β-bridge	trans	-84.4	125.4	163.9	179.5	65.5	0	0	0	109.4	H334	L181-H334 CarbonylContact C-O 3.54Å; L181-H334 VanDerWaalsContact CA-O 3.29Å; L181-H334 WeakPolarHBondContact CA-O 3.29Å; L181-H334 VanDerWaalsContact CD1-CD2 3.49Å; L181-H334 WeakPolarHBondContact CD1-CD2 3.38Å
182	V	95.7	Very high	94.9	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	34%	0.337	C	S	.	.			trans	-115.3	152.1	178.4	-61.2	0	0	0	0	111.8	Q186 T187 L193 H334 S335	V182-Q186 HydrophobicContact CB-CB 4.2Å; V182-T187 HydrophobicContact CG2-CG2 4.49Å; V182-L193 HydrophobicContact CG1-CD1 3.45Å; V182-L193 VanDerWaalsContact CG1-CD1 3.45Å; V182-H334 WeakPolarHBondContact CG2-O 3.2Å; V182-H334 PolarHBondContact N-O 3.34Å; V182-S335 WeakPolarHBondContact O-CA 3.45Å
183	A	93.4	Very high	94.9	Very high	50 Å²	50	57.7 Å²	57.7	41%	0.413	33%	0.33	S	S	.	.			trans	-72.1	155.7	171.2	0	0	0	0	0	111.2	S185 Q186	A183-S185 PolarHBondContact O-N 3.42Å; A183-S185 VanDerWaalsContact O-N 3.11Å; A183-Q186 WeakPolarHBondContact O-CB 3.48Å; A183-Q186 PolarHBondContact O-N 3.36Å
184	D	88.8	Confident	94.9	Very high	71 Å²	71	56.6 Å²	56.6	38%	0.38	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-51.8	-37.6	177.3	-87	4.4	0	0	0	113.1	Q186 T187 R425	D184-Q186 PolarHBondContact O-N 3.33Å; D184-Q186 VanDerWaalsContact O-N 3.13Å; D184-T187 WeakPolarHBondContact O-CG2 3.5Å; D184-T187 PolarHBondContact O-N 3.47Å; D184-T187 PolarHBondContact O-OG1 2.75Å; D184-R425 IonicContact OD2-CZ 3.57Å; D184-R425 IonicContact OD2-NE 2.73Å; D184-R425 PolarHBondContact OD2-NE 3.22Å; D184-R425 IonicContact OD2-NH2 3.55Å
185	S	92.3	Very high	94.8	Very high	100 Å²	100	62 Å²	62	70%	0.699	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-62.8	-16.4	177.9	57.3	0	0	0	0	114	A183	A183-S185 PolarHBondContact O-N 3.42Å; A183-S185 VanDerWaalsContact O-N 3.11Å
186	Q	93	Very high	94.7	Very high	99 Å²	99	65.4 Å²	65.4	46%	0.463	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-105.6	-6.4	-177.6	-61.2	176.3	-59.8	0	0	113	V182 A183 D184 S188 S189	V182-Q186 HydrophobicContact CB-CB 4.2Å; A183-Q186 WeakPolarHBondContact O-CB 3.48Å; A183-Q186 PolarHBondContact O-N 3.36Å; D184-Q186 PolarHBondContact O-N 3.33Å; D184-Q186 VanDerWaalsContact O-N 3.13Å; Q186-S188 PolarHBondContact O-N 3.18Å; Q186-S188 VanDerWaalsContact O-N 3.13Å; Q186-S189 WeakPolarHBondContact O-CB 3.47Å; Q186-S189 PolarHBondContact O-N 3.48Å; Q186-S189 PolarHBondContact O-OG 2.93Å
187	T	92.5	Very high	94.7	Very high	6 Å²	6	67.6 Å²	67.6	4%	0.037	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	-177.9	57.5	0	0	0	0	113.5	V182 D184 Y357 Q359 V360	V182-T187 HydrophobicContact CG2-CG2 4.49Å; D184-T187 WeakPolarHBondContact O-CG2 3.5Å; D184-T187 PolarHBondContact O-N 3.47Å; D184-T187 PolarHBondContact O-OG1 2.75Å; T187-Y357 WeakPolarHBondContact O-CE1 3.42Å; T187-Y357 PolarHBondContact O-OH 3.44Å; T187-Q359 WeakPolarHBondContact O-CG 3.26Å; T187-Q359 PolarHBondContact OG1-NE2 3.46Å; T187-V360 HydrophobicContact CG2-CG2 4.16Å
188	S	92.4	Very high	94.8	Very high	70 Å²	70	66.1 Å²	66.1	49%	0.49	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.7	177.8	60.1	0	0	0	0	114.2	Q186 K190	Q186-S188 PolarHBondContact O-N 3.18Å; Q186-S188 VanDerWaalsContact O-N 3.13Å; S188-K190 PolarHBondContact O-N 2.95Å
189	S	90.9	Very high	94.9	Very high	60 Å²	60	64.7 Å²	64.7	42%	0.42	37%	0.368	S	S	.	.	S	Bend	trans	-67.2	-20.4	-174.8	66.4	0	0	0	0	114.1	Q186 S191	Q186-S189 WeakPolarHBondContact O-CB 3.47Å; Q186-S189 PolarHBondContact O-N 3.48Å; Q186-S189 PolarHBondContact O-OG 2.93Å; S189-S191 PolarHBondContact O-N 3.13Å; S189-S191 PolarHBondContact O-OG 2.84Å; S189-S191 PolarHBondContact OG-N 2.95Å
190	K	93.1	Very high	95	Very high	140 Å²	140	69.6 Å²	69.6	61%	0.609	39%	0.389	S	S	*	.			trans	52	25.7	-175.7	-50.8	-173.6	-179.5	-179.1	0	113.5	S188 Y332 Y357	S188-K190 PolarHBondContact O-N 2.95Å; K190-Y332 WeakPolarHBondContact O-CE2 3.42Å; K190-Y357 HydrophobicContact CB-CD2 4.46Å; K190-Y357 HydrophobicContact CB-CE2 4.46Å; K190-Y357 HydrophobicContact CD-CD1 4.21Å; K190-Y357 HydrophobicContact CD-CG 4.28Å; K190-Y357 HydrophobicContact CG-CD1 3.68Å; K190-Y357 HydrophobicContact CG-CD2 4.32Å; K190-Y357 HydrophobicContact CG-CE1 3.8Å; K190-Y357 HydrophobicContact CG-CE2 4.45Å; K190-Y357 HydrophobicContact CG-CG 3.93Å
191	S	93.4	Very high	95	Very high	58 Å²	58	73 Å²	73	41%	0.406	40%	0.4	S	S	.	.			trans	-86.7	125.1	175.9	-61.8	0	0	0	0	108.4	S189 L193 Y332	S189-S191 PolarHBondContact O-N 3.13Å; S189-S191 PolarHBondContact O-OG 2.84Å; S189-S191 PolarHBondContact OG-N 2.95Å; S191-L193 PolarHBondContact O-N 3.04Å; S191-Y332 WeakPolarHBondContact O-CD2 3.3Å
192	D	95.8	Very high	95.1	Very high	73 Å²	73	67.8 Å²	67.8	39%	0.39	37%	0.373	S	S	.	.			trans	-74.5	111.9	170.8	-173.2	-12.6	0	0	0	108.4	S194 N330 Y332	D192-S194 PolarHBondContact OD1-N 3Å; D192-N330 PolarHBondContact OD2-ND2 3.31Å; D192-Y332 HydrophobicContact CB-CD1 4.37Å; D192-Y332 HydrophobicContact CB-CD2 4Å; D192-Y332 HydrophobicContact CB-CE1 4.35Å; D192-Y332 HydrophobicContact CB-CE2 3.96Å; D192-Y332 HydrophobicContact CB-CG 4.2Å
193	L	97.1	Very high	95.3	Very high	88 Å²	88	69.7 Å²	69.7	46%	0.461	38%	0.383	S	S	.	.			trans	-110.2	7.8	-179.6	-59.5	176	0	0	0	111.6	A180 V182 S191 Y332	A180-L193 HydrophobicContact CB-CB 3.66Å; A180-L193 HydrophobicContact CB-CD1 4.5Å; V182-L193 HydrophobicContact CG1-CD1 3.45Å; V182-L193 VanDerWaalsContact CG1-CD1 3.45Å; S191-L193 PolarHBondContact O-N 3.04Å; L193-Y332 CarbonylContact C-O 3.43Å; L193-Y332 PolarHBondContact N-O 2.89Å; L193-Y332 VanDerWaalsContact N-O 3.11Å
194	S	97.1	Very high	95.5	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.007	38%	0.375	C	S	.	.			trans	-130.9	87.1	-172.3	-64	0	0	0	0	110	D192 R196 Y331 Y332	D192-S194 PolarHBondContact OD1-N 3Å; S194-R196 PolarHBondContact O-N 3.28Å; S194-R196 VanDerWaalsContact O-N 3.08Å; S194-Y331 WeakPolarHBondContact CB-O 3.29Å; S194-Y331 VanDerWaalsContact OG-CE1 3.32Å; S194-Y331 WeakPolarHBondContact OG-CE1 3.43Å; S194-Y332 VanDerWaalsContact CB-O 3.22Å; S194-Y332 WeakPolarHBondContact CB-O 2.9Å; S194-Y332 PolarHBondContact N-O 3Å; S194-Y332 VanDerWaalsContact OG-C 3.29Å; S194-Y332 PolarHBondContact OG-O 3.14Å
195	S	95.7	Very high	95.9	Very high	114 Å²	114	73 Å²	73	80%	0.797	39%	0.392	S	S	*	.	S	Bend	trans	-66	-8.3	-179.5	60.5	0	0	0	0	115.4	Q179	Q179-S195 VanDerWaalsContact OE1-N 3.13Å
196	R	97.6	Very high	96.1	Very high	139 Å²	139	69.8 Å²	69.8	53%	0.525	37%	0.371	S	S	.	.	S	Bend	trans	-123.4	158.9	-177.3	-58.2	-173	-61.6	-119.5	-0.6	110.4	D177 Q179 S194	D177-R196 IonicContact OD1-NH2 3.29Å; D177-R196 PolarHBondContact OD1-NH2 3.36Å; D177-R196 IonicContact OD2-CZ 3.96Å; D177-R196 IonicContact OD2-NE 3.42Å; D177-R196 PolarHBondContact OD2-NE 3.48Å; D177-R196 IonicContact OD2-NH2 3.62Å; D177-R196 PolarHBondContact OD2-NH2 3.1Å; Q179-R196 PolarHBondContact NE2-O 3.49Å; Q179-R196 PolarHBondContact OE1-O 3.42Å; S194-R196 PolarHBondContact O-N 3.28Å; S194-R196 VanDerWaalsContact O-N 3.08Å
197	P	97.8	Very high	96.3	Very high	77 Å²	77	65.1 Å²	65.1	50%	0.5	35%	0.349	S	S	.	.			trans	-59.6	145.5	171.6	-24	35.1	0	0	0	112.3	Y199 E324	P197-Y199 VanDerWaalsContact C-N 3.35Å; P197-E324 HydrophobicContact CB-CG 4.11Å; P197-E324 WeakPolarHBondContact CB-OE2 3.18Å
198	L	98.4	Very high	96.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-63.9	-41.9	170.6	174.5	60.1	0	0	0	111	L176 D177 P178 K200 F320 E324 Y331 L347 L349	L176-L198 CarbonylContact C-O 3.51Å; L176-L198 VanDerWaalsContact CA-O 3.29Å; L176-L198 WeakPolarHBondContact CA-O 3.36Å; L176-L198 HydrophobicContact CB-CD1 4.4Å; L176-L198 HydrophobicContact CD2-CG 4.33Å; D177-L198 PolarHBondContact N-O 2.68Å; P178-L198 HydrophobicContact CB-CD1 4.36Å; L198-K200 PolarHBondContact O-N 2.89Å; L198-F320 HydrophobicContact CD2-CE1 4.23Å; L198-F320 HydrophobicContact CD2-CZ 4.37Å; L198-E324 VanDerWaalsContact N-CD 3.31Å; L198-E324 PolarHBondContact N-OE1 3.16Å; L198-E324 PolarHBondContact N-OE2 2.79Å; L198-E324 VanDerWaalsContact N-OE2 3.11Å; L198-Y331 HydrophobicContact CB-CD1 3.76Å; L198-Y331 HydrophobicContact CB-CD2 4.24Å; L198-Y331 HydrophobicContact CB-CE1 4.18Å; L198-Y331 HydrophobicContact CB-CG 3.78Å; L198-Y331 HydrophobicContact CD1-CE1 4.15Å; L198-Y331 HydrophobicContact CD2-CD2 4.17Å; L198-Y331 HydrophobicContact CD2-CE2 4.17Å; L198-L347 HydrophobicContact CD1-CD1 4.24Å; L198-L347 HydrophobicContact CD2-CD1 4.36Å; L198-L349 HydrophobicContact CD2-CD2 3.79Å
199	Y	98.3	Very high	96.8	Very high	12 Å²	12	67.9 Å²	67.9	5%	0.047	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	89.6	-178.1	-66.3	-91.7	0	0	0	110.4	L174 L176 P197 F201 V202 W317 F320 Y321 E324 I365	L174-Y199 HydrophobicContact CD1-CD1 3.72Å; L174-Y199 HydrophobicContact CD1-CE1 4.05Å; L176-Y199 HydrophobicContact CD2-CD1 3.69Å; L176-Y199 HydrophobicContact CD2-CE1 3.77Å; L176-Y199 HydrophobicContact CD2-CG 4.31Å; P197-Y199 VanDerWaalsContact C-N 3.35Å; Y199-F201 VanDerWaalsContact C-N 3.34Å; Y199-F201 PolarHBondContact O-N 2.81Å; Y199-V202 HydrophobicContact CD1-CG2 4.07Å; Y199-W317 HydrophobicContact CD1-CE3 4.48Å; Y199-W317 AromaticContact CE1-CE3 3.65Å; Y199-W317 HydrophobicContact CE1-CE3 3.65Å; Y199-W317 HydrophobicContact CE1-CZ3 4.22Å; Y199-W317 WeakPolarHBondContact OH-CA 3.45Å; Y199-W317 WeakPolarHBondContact OH-CB 3.29Å; Y199-W317 PolarHBondContact OH-O 3.11Å; Y199-F320 HydrophobicContact CD2-CD1 4.04Å; Y199-F320 HydrophobicContact CD2-CE1 4.4Å; Y199-F320 HydrophobicContact CE2-CB 4.25Å; Y199-F320 AromaticContact CE2-CD1 3.37Å; Y199-F320 HydrophobicContact CE2-CD1 3.37Å; Y199-F320 AromaticContact CE2-CE1 3.91Å; Y199-F320 HydrophobicContact CE2-CE1 3.91Å; Y199-F320 HydrophobicContact CE2-CG 4.06Å; Y199-Y321 VanDerWaalsContact CB-CD2 3.45Å; Y199-Y321 HydrophobicContact CD1-CD2 4.06Å; Y199-Y321 HydrophobicContact CD1-CG 4.31Å; Y199-Y321 HydrophobicContact CD2-CD2 4.27Å; Y199-Y321 AromaticContact CG-CD2 3.67Å; Y199-Y321 HydrophobicContact CG-CD2 3.67Å; Y199-Y321 HydrophobicContact CG-CG 4.23Å; Y199-E324 VanDerWaalsContact CD2-OE2 3.32Å; Y199-E324 WeakPolarHBondContact CD2-OE2 3.24Å; Y199-E324 PolarHBondContact N-OE2 3.38Å; Y199-I365 HydrophobicContact CE1-CG2 4.27Å
200	K	97.9	Very high	97.1	Very high	154 Å²	154	67.2 Å²	67.2	67%	0.67	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	-37.9	178.7	-177.4	177.1	178.2	-179.7	0	112.5	I175 D177 L198	I175-K200 HydrophobicContact CG2-CB 4.35Å; I175-K200 HydrophobicContact CG2-CD 4.17Å; I175-K200 WeakPolarHBondContact O-CB 3.32Å; I175-K200 PolarHBondContact O-N 3.34Å; D177-K200 HydrophobicContact CB-CB 4.28Å; L198-K200 PolarHBondContact O-N 2.89Å
201	F	98.3	Very high	97.3	Very high	94 Å²	94	64 Å²	64	41%	0.412	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	139.5	176.8	176.4	-104.1	0	0	0	111.3	S172 L174 I175 Y199 D203	S172-F201 WeakPolarHBondContact O-CE1 3.45Å; L174-F201 WeakPolarHBondContact CA-O 3.31Å; I175-F201 HydrophobicContact CB-CB 4.04Å; I175-F201 HydrophobicContact CD1-CB 4.09Å; I175-F201 HydrophobicContact CD1-CD1 4.12Å; I175-F201 HydrophobicContact CD1-CG 4.44Å; I175-F201 HydrophobicContact CG1-CB 4.18Å; I175-F201 HydrophobicContact CG1-CD1 4.23Å; I175-F201 PolarHBondContact N-O 2.81Å; I175-F201 PolarHBondContact O-N 2.99Å; I175-F201 VanDerWaalsContact O-N 3.09Å; Y199-F201 VanDerWaalsContact C-N 3.34Å; Y199-F201 PolarHBondContact O-N 2.81Å; F201-D203 HydrophobicContact CE1-CB 3.9Å; F201-D203 HydrophobicContact CZ-CB 3.92Å
202	V	98.6	Very high	97.6	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.6	168.9	-175.6	0	0	0	0	107.5	Q173 L174 Y199 E204 L207 F208 W317 Y321	Q173-V202 CarbonylContact O-C 3.51Å; Q173-V202 WeakPolarHBondContact O-CA 3.36Å; L174-V202 HydrophobicContact CD1-CG2 3.73Å; Y199-V202 HydrophobicContact CD1-CG2 4.07Å; V202-E204 VanDerWaalsContact C-N 3.28Å; V202-E204 PolarHBondContact O-N 3.14Å; V202-L207 HydrophobicContact CG1-CD1 3.81Å; V202-F208 HydrophobicContact CG1-CZ 4.38Å; V202-W317 HydrophobicContact CG1-CZ3 4.44Å; V202-Y321 HydrophobicContact CB-CD1 4.39Å; V202-Y321 HydrophobicContact CB-CD2 4.42Å; V202-Y321 HydrophobicContact CB-CE1 3.84Å; V202-Y321 HydrophobicContact CB-CE2 3.87Å; V202-Y321 HydrophobicContact CG1-CD1 4.37Å; V202-Y321 HydrophobicContact CG1-CE1 4.01Å; V202-Y321 HydrophobicContact CG2-CD1 4.07Å; V202-Y321 HydrophobicContact CG2-CD2 3.52Å; V202-Y321 HydrophobicContact CG2-CE1 3.93Å; V202-Y321 HydrophobicContact CG2-CE2 3.35Å; V202-Y321 HydrophobicContact CG2-CG 3.85Å
203	D	98.4	Very high	97.7	Very high	48 Å²	48	57.9 Å²	57.9	26%	0.257	31%	0.305	S	S	.	.			trans	-78.9	79.7	173.9	-172.1	-8.6	0	0	0	109.9	Q173 F201 N205 A206 L207	Q173-D203 HydrophobicContact CB-CB 4.01Å; Q173-D203 HydrophobicContact CG-CB 4.12Å; Q173-D203 PolarHBondContact O-N 3.4Å; F201-D203 HydrophobicContact CE1-CB 3.9Å; F201-D203 HydrophobicContact CZ-CB 3.92Å; D203-N205 VanDerWaalsContact C-N 3.25Å; D203-N205 PolarHBondContact O-N 3.49Å; D203-N205 PolarHBondContact OD1-N 3.36Å; D203-A206 HydrophobicContact CB-CB 4.26Å; D203-A206 VanDerWaalsContact CG-CB 3.41Å; D203-A206 PolarHBondContact O-N 3.33Å; D203-A206 PolarHBondContact OD1-N 2.69Å; D203-A206 VanDerWaalsContact OD1-N 3.11Å; D203-A206 VanDerWaalsContact OD2-CB 3.24Å; D203-A206 WeakPolarHBondContact OD2-CB 3.44Å; D203-L207 WeakPolarHBondContact O-CB 3.32Å; D203-L207 WeakPolarHBondContact O-CG 3.27Å; D203-L207 PolarHBondContact O-N 2.92Å
204	E	98.1	Very high	97.8	Very high	53 Å²	53	55.2 Å²	55.2	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-37.5	-178.8	-60.4	-168.6	149.5	0	0	112.2	V202 A206 L207 F208 Y321 K325	V202-E204 VanDerWaalsContact C-N 3.28Å; V202-E204 PolarHBondContact O-N 3.14Å; E204-A206 VanDerWaalsContact C-N 3.32Å; E204-A206 PolarHBondContact O-N 2.63Å; E204-L207 PolarHBondContact O-N 3.24Å; E204-F208 HydrophobicContact CB-CD2 3.64Å; E204-F208 HydrophobicContact CB-CE2 3.87Å; E204-F208 HydrophobicContact CB-CG 4.33Å; E204-F208 HydrophobicContact CG-CD2 3.84Å; E204-F208 HydrophobicContact CG-CE2 3.5Å; E204-F208 HydrophobicContact CG-CZ 4.22Å; E204-F208 WeakPolarHBondContact O-CA 3.43Å; E204-F208 VanDerWaalsContact O-CB 3.24Å; E204-F208 WeakPolarHBondContact O-CB 3.37Å; E204-F208 PolarHBondContact O-N 3.38Å; E204-Y321 HydrophobicContact CG-CE1 4.12Å; E204-Y321 WeakPolarHBondContact OE1-CE1 3.41Å; E204-Y321 PolarHBondContact OE1-OH 2.9Å; E204-K325 IonicContact OE1-NZ 3.4Å; E204-K325 PolarHBondContact OE1-NZ 3.1Å; E204-K325 IonicContact OE2-NZ 2.71Å; E204-K325 PolarHBondContact OE2-NZ 2.91Å
205	N	97.1	Very high	97.8	Very high	139 Å²	139	55.4 Å²	55.4	74%	0.743	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-38	-178.4	-69.9	-34.5	0	0	0	111.6	D203 T209	D203-N205 VanDerWaalsContact C-N 3.25Å; D203-N205 PolarHBondContact O-N 3.49Å; D203-N205 PolarHBondContact OD1-N 3.36Å; N205-T209 WeakPolarHBondContact O-CG2 3.28Å; N205-T209 PolarHBondContact O-OG1 2.78Å
206	A	96.8	Very high	97.9	Very high	32 Å²	32	50 Å²	50	26%	0.264	26%	0.26	S	S	.	.	H	α-helix	trans	-83.6	-32.7	178.8	0	0	0	0	0	113.6	D203 E204 R210	D203-A206 HydrophobicContact CB-CB 4.26Å; D203-A206 VanDerWaalsContact CG-CB 3.41Å; D203-A206 PolarHBondContact O-N 3.33Å; D203-A206 PolarHBondContact OD1-N 2.69Å; D203-A206 VanDerWaalsContact OD1-N 3.11Å; D203-A206 VanDerWaalsContact OD2-CB 3.24Å; D203-A206 WeakPolarHBondContact OD2-CB 3.44Å; E204-A206 VanDerWaalsContact C-N 3.32Å; E204-A206 PolarHBondContact O-N 2.63Å; A206-R210 PolarHBondContact O-NE 3.4Å
207	L	97.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-87.7	-49.2	-176.5	-67.1	172.8	0	0	0	112.1	A169 Q173 V202 D203 E204 T209 R210 Y213 W317	A169-L207 HydrophobicContact CB-CD1 4.02Å; A169-L207 HydrophobicContact CB-CD2 4.07Å; Q173-L207 HydrophobicContact CB-CD1 4.24Å; Q173-L207 HydrophobicContact CB-CD2 4.5Å; Q173-L207 HydrophobicContact CB-CG 4.39Å; V202-L207 HydrophobicContact CG1-CD1 3.81Å; D203-L207 WeakPolarHBondContact O-CB 3.32Å; D203-L207 WeakPolarHBondContact O-CG 3.27Å; D203-L207 PolarHBondContact O-N 2.92Å; E204-L207 PolarHBondContact O-N 3.24Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 3.07Å; L207-R210 VanDerWaalsContact O-CB 3.26Å; L207-R210 WeakPolarHBondContact O-CB 3.4Å; L207-R210 WeakPolarHBondContact O-CG 3.35Å; L207-R210 PolarHBondContact O-N 3.21Å; L207-R210 VanDerWaalsContact O-N 3.12Å; L207-Y213 HydrophobicContact CB-CD1 4.4Å; L207-Y213 HydrophobicContact CB-CE1 4.35Å; L207-Y213 VanDerWaalsContact O-CB 3.29Å; L207-Y213 WeakPolarHBondContact O-CB 3.12Å; L207-W317 HydrophobicContact CD1-CH2 4.26Å
208	F	97.5	Very high	97.7	Very high	30 Å²	30	45.6 Å²	45.6	13%	0.132	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.6	-170.1	-59.6	-14.5	0	0	0	114	V202 E204 R210 Y213 L217 I318 Y321 L322	V202-F208 HydrophobicContact CG1-CZ 4.38Å; E204-F208 HydrophobicContact CB-CD2 3.64Å; E204-F208 HydrophobicContact CB-CE2 3.87Å; E204-F208 HydrophobicContact CB-CG 4.33Å; E204-F208 HydrophobicContact CG-CD2 3.84Å; E204-F208 HydrophobicContact CG-CE2 3.5Å; E204-F208 HydrophobicContact CG-CZ 4.22Å; E204-F208 WeakPolarHBondContact O-CA 3.43Å; E204-F208 VanDerWaalsContact O-CB 3.24Å; E204-F208 WeakPolarHBondContact O-CB 3.37Å; E204-F208 PolarHBondContact O-N 3.38Å; F208-R210 VanDerWaalsContact C-N 3.33Å; F208-Y213 AromaticContact CD1-CD1 3.89Å; F208-Y213 HydrophobicContact CD1-CD1 3.89Å; F208-Y213 HydrophobicContact CE1-CD1 4.13Å; F208-L217 HydrophobicContact CB-CD1 3.76Å; F208-L217 HydrophobicContact CD1-CD1 4.25Å; F208-L217 HydrophobicContact CD2-CD1 4.01Å; F208-L217 HydrophobicContact CG-CD1 3.77Å; F208-I318 HydrophobicContact CE1-CG2 4.13Å; F208-I318 HydrophobicContact CZ-CG2 4.35Å; F208-Y321 HydrophobicContact CE2-CD1 4.45Å; F208-Y321 AromaticContact CE2-CE1 3.98Å; F208-Y321 HydrophobicContact CE2-CE1 3.98Å; F208-Y321 AromaticContact CZ-CD1 3.87Å; F208-Y321 HydrophobicContact CZ-CD1 3.87Å; F208-Y321 AromaticContact CZ-CE1 3.76Å; F208-Y321 HydrophobicContact CZ-CE1 3.76Å; F208-L322 HydrophobicContact CE2-CD2 4.05Å; F208-L322 HydrophobicContact CZ-CD2 4.36Å
209	T	96.4	Very high	97.5	Very high	105 Å²	105	45.6 Å²	45.6	64%	0.644	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12	168.9	54.9	0	0	0	0	112.7	N205 L207	N205-T209 WeakPolarHBondContact O-CG2 3.28Å; N205-T209 PolarHBondContact O-OG1 2.78Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 3.07Å
210	R	97.9	Very high	97.2	Very high	45 Å²	45	45.5 Å²	45.5	17%	0.17	24%	0.242	C	C	.	.	S	Bend	trans	-67.5	136.4	174.1	-61.7	173.2	-176.5	-173.3	-9.6	109	N167 K168 Q173 A206 L207 F208 T212 Y213 A214	N167-R210 PolarHBondContact O-NH1 3.31Å; K168-R210 PolarHBondContact O-NH1 3.45Å; Q173-R210 VanDerWaalsContact NE2-NH2 3.13Å; A206-R210 PolarHBondContact O-NE 3.4Å; L207-R210 VanDerWaalsContact O-CB 3.26Å; L207-R210 WeakPolarHBondContact O-CB 3.4Å; L207-R210 WeakPolarHBondContact O-CG 3.35Å; L207-R210 PolarHBondContact O-N 3.21Å; L207-R210 VanDerWaalsContact O-N 3.12Å; F208-R210 VanDerWaalsContact C-N 3.33Å; R210-T212 VanDerWaalsContact C-N 3.29Å; R210-T212 PolarHBondContact O-N 3.03Å; R210-Y213 HydrophobicContact CB-CD2 3.88Å; R210-Y213 PolarHBondContact O-N 2.9Å; R210-Y213 VanDerWaalsContact O-N 3.13Å; R210-A214 PolarHBondContact O-N 3.48Å
211	P	98.4	Very high	96.4	Very high	72 Å²	72	43.4 Å²	43.4	47%	0.468	24%	0.239	S	C	.	.	H	α-helix	trans	-54	-40.7	-174.2	-29.5	35.5	0	0	0	114.6	A214 A215 E247	P211-A214 PolarHBondContact O-N 3.03Å; P211-A215 VanDerWaalsContact O-CB 3.31Å; P211-A215 WeakPolarHBondContact O-CB 3.43Å; P211-A215 PolarHBondContact O-N 3.2Å; P211-E247 HydrophobicContact CB-CG 4.24Å; P211-E247 VanDerWaalsContact CB-OE2 3.26Å; P211-E247 WeakPolarHBondContact CB-OE2 3.32Å
212	T	98.5	Very high	95.7	Very high	2 Å²	2	40 Å²	40	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-70.4	-36.7	-178.5	60.2	0	0	0	0	113.1	R210 L216 E247 T248 T252 E370	R210-T212 VanDerWaalsContact C-N 3.29Å; R210-T212 PolarHBondContact O-N 3.03Å; T212-L216 PolarHBondContact O-N 3.16Å; T212-L216 VanDerWaalsContact O-N 3.08Å; T212-E247 HydrophobicContact CG2-CB 4.18Å; T212-E247 WeakPolarHBondContact CG2-O 3.34Å; T212-T248 HydrophobicContact CG2-CG2 4.09Å; T212-T252 HydrophobicContact CG2-CG2 3.8Å; T212-E370 WeakPolarHBondContact CB-OE2 3.2Å; T212-E370 VanDerWaalsContact CG2-OE2 3.31Å; T212-E370 WeakPolarHBondContact CG2-OE2 3.19Å; T212-E370 PolarHBondContact OG1-OE1 3.2Å; T212-E370 PolarHBondContact OG1-OE2 3.07Å
213	Y	98.5	Very high	94.7	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-48.9	173.4	-75.7	-104.3	0	0	0	110.7	N167 L207 F208 R210 A215 L216 L217 W317 I318 C367 S368 P369	N167-Y213 HydrophobicContact CB-CE2 4.26Å; N167-Y213 WeakPolarHBondContact O-CE2 3.5Å; N167-Y213 PolarHBondContact O-OH 2.04Å; N167-Y213 VanDerWaalsContact O-OH 3.05Å; L207-Y213 HydrophobicContact CB-CD1 4.4Å; L207-Y213 HydrophobicContact CB-CE1 4.35Å; L207-Y213 VanDerWaalsContact O-CB 3.29Å; L207-Y213 WeakPolarHBondContact O-CB 3.12Å; F208-Y213 AromaticContact CD1-CD1 3.89Å; F208-Y213 HydrophobicContact CD1-CD1 3.89Å; F208-Y213 HydrophobicContact CE1-CD1 4.13Å; R210-Y213 HydrophobicContact CB-CD2 3.88Å; R210-Y213 PolarHBondContact O-N 2.9Å; R210-Y213 VanDerWaalsContact O-N 3.13Å; Y213-A215 VanDerWaalsContact C-N 3.3Å; Y213-A215 PolarHBondContact O-N 2.93Å; Y213-L216 WeakPolarHBondContact O-CB 3.28Å; Y213-L216 PolarHBondContact O-N 3.28Å; Y213-L216 VanDerWaalsContact O-N 3.12Å; Y213-L217 VanDerWaalsContact O-CG 3.29Å; Y213-L217 WeakPolarHBondContact O-CG 3.09Å; Y213-L217 PolarHBondContact O-N 3.39Å; Y213-W317 HydrophobicContact CE1-CH2 4.36Å; Y213-W317 AromaticContact CE1-CZ2 3.87Å; Y213-W317 HydrophobicContact CE1-CZ2 3.87Å; Y213-I318 HydrophobicContact CD1-CD1 3.63Å; Y213-I318 HydrophobicContact CD1-CG1 4.41Å; Y213-I318 HydrophobicContact CE1-CD1 3.49Å; Y213-I318 VanDerWaalsContact CE1-CD1 3.49Å; Y213-I318 HydrophobicContact CE1-CG1 4.13Å; Y213-C367 PolarHBondContact OH-O 2.78Å; Y213-S368 WeakPolarHBondContact OH-CA 3.26Å; Y213-P369 HydrophobicContact CD1-CG 4.39Å; Y213-P369 HydrophobicContact CD2-CG 4.16Å; Y213-P369 VanDerWaalsContact CE2-CD 3.48Å; Y213-P369 HydrophobicContact CE2-CG 4.41Å; Y213-P369 HydrophobicContact CG-CG 4.16Å
214	A	97.9	Very high	93.3	Very high	32 Å²	32	44 Å²	44	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-44.1	178	0	0	0	0	0	111.7	R210 P211 L216 L217 N218	R210-A214 PolarHBondContact O-N 3.48Å; P211-A214 PolarHBondContact O-N 3.03Å; A214-L216 PolarHBondContact O-N 3.18Å; A214-L217 PolarHBondContact O-N 3.41Å; A214-N218 PolarHBondContact O-N 3.15Å; A214-N218 VanDerWaalsContact O-N 3.14Å
215	A	98.1	Very high	91.9	Very high	6 Å²	6	46.9 Å²	46.9	5%	0.05	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-39.6	176.5	0	0	0	0	0	112.5	P211 Y213 N218 L219 T243 F244 E247	P211-A215 VanDerWaalsContact O-CB 3.31Å; P211-A215 WeakPolarHBondContact O-CB 3.43Å; P211-A215 PolarHBondContact O-N 3.2Å; Y213-A215 VanDerWaalsContact C-N 3.3Å; Y213-A215 PolarHBondContact O-N 2.93Å; A215-N218 PolarHBondContact O-N 2.98Å; A215-L219 PolarHBondContact O-N 3.14Å; A215-T243 HydrophobicContact CB-CG2 4.43Å; A215-F244 HydrophobicContact CB-CB 4.23Å; A215-F244 HydrophobicContact CB-CD2 4.11Å; A215-E247 HydrophobicContact CB-CB 4.35Å; A215-E247 HydrophobicContact CB-CG 4.28Å
216	L	97.8	Very high	90.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-41.8	174.3	-178.2	67.1	0	0	0	111.9	T212 Y213 A214 N218 L219 F220 F244 F298 F302 I318 P369	T212-L216 PolarHBondContact O-N 3.16Å; T212-L216 VanDerWaalsContact O-N 3.08Å; Y213-L216 WeakPolarHBondContact O-CB 3.28Å; Y213-L216 PolarHBondContact O-N 3.28Å; Y213-L216 VanDerWaalsContact O-N 3.12Å; A214-L216 PolarHBondContact O-N 3.18Å; L216-N218 VanDerWaalsContact C-N 3.31Å; L216-N218 PolarHBondContact O-N 3.01Å; L216-L219 WeakPolarHBondContact O-CB 3.39Å; L216-L219 PolarHBondContact O-N 3.24Å; L216-F220 HydrophobicContact CD1-CE1 4.2Å; L216-F220 HydrophobicContact CD1-CE2 4.34Å; L216-F220 HydrophobicContact CD1-CZ 3.86Å; L216-F220 HydrophobicContact CD2-CE2 3.88Å; L216-F220 HydrophobicContact CD2-CZ 3.82Å; L216-F220 HydrophobicContact CG-CD2 4.44Å; L216-F220 HydrophobicContact CG-CE1 4.46Å; L216-F220 HydrophobicContact CG-CE2 3.73Å; L216-F220 HydrophobicContact CG-CZ 3.73Å; L216-F220 PolarHBondContact O-N 2.93Å; L216-F244 HydrophobicContact CB-CD2 4.2Å; L216-F244 HydrophobicContact CB-CE2 3.81Å; L216-F244 HydrophobicContact CD1-CE2 3.81Å; L216-F244 HydrophobicContact CD1-CZ 3.96Å; L216-F244 HydrophobicContact CG-CE2 4.38Å; L216-F298 HydrophobicContact CD1-CE2 3.62Å; L216-F298 HydrophobicContact CD1-CZ 3.65Å; L216-F302 HydrophobicContact CD1-CD1 3.97Å; L216-F302 HydrophobicContact CD1-CE1 4.48Å; L216-I318 HydrophobicContact CD2-CB 4.38Å; L216-I318 HydrophobicContact CD2-CD1 3.58Å; L216-P369 HydrophobicContact CB-CB 4.21Å; L216-P369 HydrophobicContact CB-CG 4.09Å; L216-P369 HydrophobicContact CD2-CB 3.98Å; L216-P369 HydrophobicContact CD2-CG 3.78Å
217	L	96.1	Very high	88.6	Confident	43 Å²	43	44.8 Å²	44.8	23%	0.225	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-40.7	-179.9	-67.6	176.9	0	0	0	111.9	F208 Y213 A214 L219 F220 I318 L322	F208-L217 HydrophobicContact CB-CD1 3.76Å; F208-L217 HydrophobicContact CD1-CD1 4.25Å; F208-L217 HydrophobicContact CD2-CD1 4.01Å; F208-L217 HydrophobicContact CG-CD1 3.77Å; Y213-L217 VanDerWaalsContact O-CG 3.29Å; Y213-L217 WeakPolarHBondContact O-CG 3.09Å; Y213-L217 PolarHBondContact O-N 3.39Å; A214-L217 PolarHBondContact O-N 3.41Å; L217-L219 PolarHBondContact O-N 3.34Å; L217-F220 HydrophobicContact CD2-CD2 4.3Å; L217-F220 PolarHBondContact O-N 3.22Å; L217-F220 VanDerWaalsContact O-N 3.14Å; L217-I318 HydrophobicContact CD2-CG2 4.06Å; L217-L322 HydrophobicContact CD2-CD1 3.44Å; L217-L322 VanDerWaalsContact CD2-CD1 3.44Å
218	N	94.7	Very high	86.6	Confident	81 Å²	81	46.4 Å²	46.4	43%	0.433	25%	0.248	S	C	.	.	H	α-helix	trans	-69.6	-6.4	174.4	-64	-13.3	0	0	0	113.8	A214 A215 L216 N222 E240	A214-N218 PolarHBondContact O-N 3.15Å; A214-N218 VanDerWaalsContact O-N 3.14Å; A215-N218 PolarHBondContact O-N 2.98Å; L216-N218 VanDerWaalsContact C-N 3.31Å; L216-N218 PolarHBondContact O-N 3.01Å; N218-N222 PolarHBondContact O-ND2 3.03Å; N218-N222 VanDerWaalsContact O-ND2 3.14Å; N218-E240 HydrophobicContact CB-CG 4.28Å
219	L	94.6	Very high	84.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-90.4	-33	168.9	-70.3	179.6	0	0	0	111.1	A215 L216 L217 D221 N222 Y223 E240 Q241 F244 F283 F298	A215-L219 PolarHBondContact O-N 3.14Å; L216-L219 WeakPolarHBondContact O-CB 3.39Å; L216-L219 PolarHBondContact O-N 3.24Å; L217-L219 PolarHBondContact O-N 3.34Å; L219-D221 VanDerWaalsContact C-N 3.27Å; L219-D221 PolarHBondContact O-N 3.46Å; L219-N222 WeakPolarHBondContact O-CB 3.08Å; L219-N222 PolarHBondContact O-N 3.46Å; L219-N222 VanDerWaalsContact O-N 3.1Å; L219-Y223 HydrophobicContact CB-CE2 4.28Å; L219-Y223 WeakPolarHBondContact O-CD2 3.27Å; L219-Y223 VanDerWaalsContact O-CE2 3.24Å; L219-Y223 WeakPolarHBondContact O-CE2 3.46Å; L219-E240 HydrophobicContact CD2-CB 3.97Å; L219-Q241 HydrophobicContact CD2-CB 4.5Å; L219-Q241 HydrophobicContact CD2-CG 3.89Å; L219-F244 HydrophobicContact CD1-CB 3.56Å; L219-F244 HydrophobicContact CD1-CD1 3.6Å; L219-F244 HydrophobicContact CD1-CD2 4.03Å; L219-F244 HydrophobicContact CD1-CE1 4.25Å; L219-F244 HydrophobicContact CD1-CG 3.44Å; L219-F244 VanDerWaalsContact CD1-CG 3.44Å; L219-F244 HydrophobicContact CG-CB 4.27Å; L219-F283 HydrophobicContact CD1-CE1 3.95Å; L219-F283 HydrophobicContact CD1-CZ 3.87Å; L219-F298 HydrophobicContact CB-CE1 3.74Å; L219-F298 HydrophobicContact CB-CE2 4.43Å; L219-F298 HydrophobicContact CB-CZ 3.51Å; L219-F298 HydrophobicContact CD1-CD2 4.27Å; L219-F298 HydrophobicContact CD1-CE1 4.13Å; L219-F298 HydrophobicContact CD1-CE2 3.58Å; L219-F298 HydrophobicContact CD1-CZ 3.51Å; L219-F298 HydrophobicContact CG-CZ 4.17Å
220	F	91.4	Very high	83.3	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-19.1	-172.4	-74.3	-35.5	0	0	0	115.5	L216 L217 F298 F302 A303 I318 R319 L322	L216-F220 HydrophobicContact CD1-CE1 4.2Å; L216-F220 HydrophobicContact CD1-CE2 4.34Å; L216-F220 HydrophobicContact CD1-CZ 3.86Å; L216-F220 HydrophobicContact CD2-CE2 3.88Å; L216-F220 HydrophobicContact CD2-CZ 3.82Å; L216-F220 HydrophobicContact CG-CD2 4.44Å; L216-F220 HydrophobicContact CG-CE1 4.46Å; L216-F220 HydrophobicContact CG-CE2 3.73Å; L216-F220 HydrophobicContact CG-CZ 3.73Å; L216-F220 PolarHBondContact O-N 2.93Å; L217-F220 HydrophobicContact CD2-CD2 4.3Å; L217-F220 PolarHBondContact O-N 3.22Å; L217-F220 VanDerWaalsContact O-N 3.14Å; F220-F298 HydrophobicContact CD1-CZ 4.41Å; F220-F298 HydrophobicContact CE1-CZ 4.19Å; F220-F302 HydrophobicContact CE1-CB 4.02Å; F220-A303 HydrophobicContact CD1-CB 4.3Å; F220-I318 HydrophobicContact CE2-CB 4.49Å; F220-I318 HydrophobicContact CE2-CG2 4.25Å; F220-R319 HydrophobicContact CE1-CB 4.02Å; F220-R319 HydrophobicContact CE1-CG 4.31Å; F220-R319 HydrophobicContact CE2-CB 4.02Å; F220-R319 HydrophobicContact CZ-CB 3.66Å; F220-R319 HydrophobicContact CZ-CG 4.41Å; F220-L322 HydrophobicContact CD2-CD1 4.17Å
221	D	81.6	Confident	82	Confident	111 Å²	111	48.3 Å²	48.3	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.8	174	57.7	-12.3	0	0	0	113.1	L219	L219-D221 VanDerWaalsContact C-N 3.27Å; L219-D221 PolarHBondContact O-N 3.46Å
222	N	82.7	Confident	81	Confident	22 Å²	22	50 Å²	50	12%	0.118	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-26.5	-176.9	-69.1	-26.7	0	0	0	115.4	N218 L219 Q237 E240	N218-N222 PolarHBondContact O-ND2 3.03Å; N218-N222 VanDerWaalsContact O-ND2 3.14Å; L219-N222 WeakPolarHBondContact O-CB 3.08Å; L219-N222 PolarHBondContact O-N 3.46Å; L219-N222 VanDerWaalsContact O-N 3.1Å; N222-Q237 HydrophobicContact CB-CG 4.28Å; N222-Q237 VanDerWaalsContact CG-NE2 3.33Å; N222-Q237 VanDerWaalsContact OD1-CG 3.27Å; N222-Q237 WeakPolarHBondContact OD1-CG 3.34Å; N222-Q237 PolarHBondContact OD1-NE2 3.18Å; N222-E240 PolarHBondContact ND2-OE2 3.46Å; N222-E240 PolarHBondContact OD1-OE2 2.55Å
223	Y	77.8	Confident	80.3	Confident	20 Å²	20	51.7 Å²	51.7	8%	0.078	29%	0.285	C	S	.	.			trans	-98.9	140.6	-169.2	-62.3	-87.5	0	0	0	112.4	L219 F233 Q241 F283 F298 E299	L219-Y223 HydrophobicContact CB-CE2 4.28Å; L219-Y223 WeakPolarHBondContact O-CD2 3.27Å; L219-Y223 VanDerWaalsContact O-CE2 3.24Å; L219-Y223 WeakPolarHBondContact O-CE2 3.46Å; Y223-F233 HydrophobicContact CD1-CE1 4.17Å; Y223-F233 HydrophobicContact CD1-CZ 4.11Å; Y223-F233 AromaticContact CE1-CE1 3.74Å; Y223-F233 HydrophobicContact CE1-CE1 3.74Å; Y223-F233 AromaticContact CE1-CZ 3.52Å; Y223-F233 HydrophobicContact CE1-CZ 3.52Å; Y223-Q241 PolarHBondContact OH-NE2 3.35Å; Y223-F283 VanDerWaalsContact OH-CD1 3.28Å; Y223-F283 WeakPolarHBondContact OH-CD1 3.27Å; Y223-F298 HydrophobicContact CD2-CD1 4.13Å; Y223-F298 AromaticContact CD2-CE1 3.92Å; Y223-F298 HydrophobicContact CD2-CE1 3.92Å; Y223-F298 HydrophobicContact CE1-CD1 4.32Å; Y223-F298 AromaticContact CE2-CD1 3.47Å; Y223-F298 HydrophobicContact CE2-CD1 3.47Å; Y223-F298 VanDerWaalsContact CE2-CD1 3.47Å; Y223-F298 AromaticContact CE2-CE1 3.42Å; Y223-F298 HydrophobicContact CE2-CE1 3.42Å; Y223-F298 VanDerWaalsContact CE2-CE1 3.42Å; Y223-F298 AromaticContact CZ-CD1 3.59Å; Y223-E299 HydrophobicContact CD1-CB 3.81Å; Y223-E299 HydrophobicContact CD1-CG 3.95Å; Y223-E299 HydrophobicContact CE1-CB 4.19Å; Y223-E299 HydrophobicContact CG-CB 4.4Å; Y223-E299 HydrophobicContact CG-CG 4.29Å
224	K	69.4	Low	79.7	Confident	120 Å²	120	55.2 Å²	55.2	52%	0.522	31%	0.307	S	S	.	.			trans	-91.1	128.3	174.4	-67.9	179.2	-179.3	174.3	0	109.7	I226 E231	K224-I226 PolarHBondContact O-N 3.36Å; K224-I226 VanDerWaalsContact O-N 3.11Å; K224-E231 PolarHBondContact N-OE1 3.3Å
225	R	69.8	Low	79.4	Confident	114 Å²	114	58.3 Å²	58.3	43%	0.43	33%	0.326	S	S	.	.	S	Bend	trans	-65.6	-15.9	-176.7	70.7	-165.3	-170.6	-133.3	13.8	116.5	I306 W353 D354	R225-I306 PolarHBondContact O-N 2.8Å; R225-W353 HydrophobicContact CB-CH2 3.93Å; R225-W353 HydrophobicContact CB-CZ2 3.97Å; R225-D354 IonicContact CZ-OD1 3.45Å; R225-D354 IonicContact CZ-OD2 3.7Å; R225-D354 VanDerWaalsContact CZ-OD2 3.29Å; R225-D354 IonicContact NE-OD1 3.8Å; R225-D354 IonicContact NE-OD2 2.85Å; R225-D354 PolarHBondContact NE-OD2 3.1Å; R225-D354 IonicContact NH2-OD1 3.49Å; R225-D354 PolarHBondContact NH2-OD1 2.97Å; R225-D354 IonicContact NH2-OD2 2.97Å; R225-D354 PolarHBondContact NH2-OD2 3.36Å; R225-D354 VanDerWaalsContact NH2-OD2 3.1Å
226	I	64.6	Low	79.1	Confident	109 Å²	109	64.2 Å²	64.2	56%	0.559	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-106.5	115.5	-174.8	-58.1	178.7	0	0	0	109.5	K224	K224-I226 PolarHBondContact O-N 3.36Å; K224-I226 VanDerWaalsContact O-N 3.11Å
227	T	58.3	Low	78.9	Confident	18 Å²	18	65.6 Å²	65.6	11%	0.11	36%	0.359	C	S	.	.	S	Bend	trans	-66	153.6	173.4	58.3	0	0	0	0	112.1	E305 I306	T227-E305 HydrophobicContact CG2-CB 3.88Å; T227-E305 HydrophobicContact CG2-CG 4.07Å; T227-E305 VanDerWaalsContact CG2-OE2 3.31Å; T227-E305 WeakPolarHBondContact CG2-OE2 2.93Å; T227-I306 PolarHBondContact OG1-O 3.33Å
228	G	56.9	Low	78.8	Confident	34 Å²	34	66.9 Å²	66.9	35%	0.351	37%	0.366	S	S	.	.	S	Bend	trans	107.2	2.6	175	0	0	0	0	0	115.7	D294	G228-D294 WeakPolarHBondContact CA-OD2 3.38Å; G228-D294 PolarHBondContact N-OD2 2.8Å
229	Q	59.9	Low	78.8	Confident	124 Å²	124	66.6 Å²	66.6	58%	0.579	37%	0.367	S	S	*	.	S	Bend	trans	-114.5	132.2	167.8	-65.5	-168.9	5	0	0	109	E231 D294	Q229-E231 PolarHBondContact O-N 3.04Å; Q229-D294 VanDerWaalsContact O-CB 3.3Å; Q229-D294 WeakPolarHBondContact O-CB 3.33Å
230	A	64.1	Low	78.9	Confident	72 Å²	72	67.7 Å²	67.7	60%	0.595	37%	0.373	S	S	*	.			trans	-57.6	126.9	176	0	0	0	0	0	109.9
231	E	71.3	Confident	79.2	Confident	24 Å²	24	67.5 Å²	67.5	11%	0.112	37%	0.372	C	S	.	.			trans	-89.7	139.6	174.8	-64.7	-159.6	138.1	0	0	109.8	K224 Q229 L285 M293	K224-E231 PolarHBondContact N-OE1 3.3Å; Q229-E231 PolarHBondContact O-N 3.04Å; E231-L285 HydrophobicContact CB-CD1 4.43Å; E231-L285 HydrophobicContact CB-CD2 4.44Å; E231-M293 PolarHBondContact N-O 3.14Å
232	S	76.4	Confident	79.9	Confident	107 Å²	107	66.8 Å²	66.8	75%	0.748	37%	0.365	S	S	*	.			trans	-132.7	126.7	170.9	64.6	0	0	0	0	107.9
233	F	83.9	Confident	80.7	Confident	38 Å²	38	68.5 Å²	68.5	17%	0.167	38%	0.376	C	S	.	.			trans	-90.5	137.1	179.9	-63.6	-69.2	0	0	0	111.1	Y223 Q237 L238 L285	Y223-F233 HydrophobicContact CD1-CE1 4.17Å; Y223-F233 HydrophobicContact CD1-CZ 4.11Å; Y223-F233 AromaticContact CE1-CE1 3.74Å; Y223-F233 HydrophobicContact CE1-CE1 3.74Å; Y223-F233 AromaticContact CE1-CZ 3.52Å; Y223-F233 HydrophobicContact CE1-CZ 3.52Å; F233-Q237 HydrophobicContact CB-CB 4.01Å; F233-Q237 HydrophobicContact CD1-CB 3.99Å; F233-Q237 HydrophobicContact CG-CB 4.44Å; F233-L238 HydrophobicContact CB-CD2 3.82Å; F233-L238 HydrophobicContact CB-CG 3.95Å; F233-L238 HydrophobicContact CD2-CD2 4.47Å; F233-L238 HydrophobicContact CG-CD2 4.43Å; F233-L285 HydrophobicContact CD2-CD1 4.34Å; F233-L285 HydrophobicContact CE2-CD1 3.88Å; F233-L285 HydrophobicContact CE2-CD2 3.76Å; F233-L285 HydrophobicContact CE2-CG 3.92Å; F233-L285 HydrophobicContact CZ-CD2 4.19Å
234	T	87.5	Confident	81.6	Confident	76 Å²	76	67.6 Å²	67.6	47%	0.466	37%	0.372	S	S	.	.			trans	-71.7	164.1	168.8	76.7	0	0	0	0	110.5	Q236 Q237 L238	T234-Q236 PolarHBondContact O-N 3.47Å; T234-Q236 PolarHBondContact OG1-N 2.95Å; T234-Q237 PolarHBondContact O-N 3.26Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.13Å; T234-Q237 PolarHBondContact OG1-N 2.78Å; T234-L238 PolarHBondContact O-N 3.36Å
235	S	90.7	Very high	83	Confident	97 Å²	97	61.9 Å²	61.9	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-57.5	-32.6	175.3	-54.4	0	0	0	0	112.9	T239	S235-T239 PolarHBondContact O-N 2.91Å; S235-T239 PolarHBondContact O-OG1 3.33Å
236	Q	92.4	Very high	84.4	Confident	129 Å²	129	61.8 Å²	61.8	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-65	-46.5	174.4	-179	-177.3	-19.9	0	0	110.9	T234 L238 T239 E240	T234-Q236 PolarHBondContact O-N 3.47Å; T234-Q236 PolarHBondContact OG1-N 2.95Å; Q236-L238 VanDerWaalsContact C-N 3.33Å; Q236-L238 PolarHBondContact O-N 2.95Å; Q236-T239 CarbonylContact O-C 3.6Å; Q236-T239 WeakPolarHBondContact O-CA 3.4Å; Q236-T239 VanDerWaalsContact O-CB 3.28Å; Q236-T239 WeakPolarHBondContact O-CB 3.38Å; Q236-T239 PolarHBondContact O-N 2.72Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.12Å; Q236-E240 PolarHBondContact NE2-OE1 2.72Å; Q236-E240 WeakPolarHBondContact O-CG 3.11Å; Q236-E240 PolarHBondContact O-N 2.83Å
237	Q	92.5	Very high	86	Confident	30 Å²	30	58.7 Å²	58.7	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-37.1	-179.2	-61.4	-179.3	-56.5	0	0	112.4	N222 F233 T234 T239 E240 Q241	N222-Q237 HydrophobicContact CB-CG 4.28Å; N222-Q237 VanDerWaalsContact CG-NE2 3.33Å; N222-Q237 VanDerWaalsContact OD1-CG 3.27Å; N222-Q237 WeakPolarHBondContact OD1-CG 3.34Å; N222-Q237 PolarHBondContact OD1-NE2 3.18Å; F233-Q237 HydrophobicContact CB-CB 4.01Å; F233-Q237 HydrophobicContact CD1-CB 3.99Å; F233-Q237 HydrophobicContact CG-CB 4.44Å; T234-Q237 PolarHBondContact O-N 3.26Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.13Å; T234-Q237 PolarHBondContact OG1-N 2.78Å; Q237-T239 VanDerWaalsContact C-N 3.32Å; Q237-E240 WeakPolarHBondContact CA-OE2 3.2Å; Q237-E240 PolarHBondContact O-N 3.18Å; Q237-Q241 WeakPolarHBondContact O-CG 2.9Å; Q237-Q241 PolarHBondContact O-N 3.32Å; Q237-Q241 VanDerWaalsContact O-N 3.12Å
238	L	93.6	Very high	87.9	Confident	69 Å²	69	57.8 Å²	57.8	36%	0.361	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-37.1	171.7	-65.2	174.9	0	0	0	111.8	F233 T234 Q236 E240 Q241 E242	F233-L238 HydrophobicContact CB-CD2 3.82Å; F233-L238 HydrophobicContact CB-CG 3.95Å; F233-L238 HydrophobicContact CD2-CD2 4.47Å; F233-L238 HydrophobicContact CG-CD2 4.43Å; T234-L238 PolarHBondContact O-N 3.36Å; Q236-L238 VanDerWaalsContact C-N 3.33Å; Q236-L238 PolarHBondContact O-N 2.95Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-Q241 PolarHBondContact O-N 3.46Å; L238-E242 WeakPolarHBondContact O-CG 3.33Å; L238-E242 PolarHBondContact O-N 2.81Å; L238-E242 VanDerWaalsContact O-N 3.15Å
239	T	95.6	Very high	89.9	Confident	75 Å²	75	56.2 Å²	56.2	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-36.1	175.3	-55.7	0	0	0	0	111.5	S235 Q236 Q237 E242 T243	S235-T239 PolarHBondContact O-N 2.91Å; S235-T239 PolarHBondContact O-OG1 3.33Å; Q236-T239 CarbonylContact O-C 3.6Å; Q236-T239 WeakPolarHBondContact O-CA 3.4Å; Q236-T239 VanDerWaalsContact O-CB 3.28Å; Q236-T239 WeakPolarHBondContact O-CB 3.38Å; Q236-T239 PolarHBondContact O-N 2.72Å; Q237-T239 VanDerWaalsContact C-N 3.32Å; T239-E242 PolarHBondContact O-N 3.12Å; T239-T243 WeakPolarHBondContact O-CB 3.29Å; T239-T243 PolarHBondContact O-N 2.71Å; T239-T243 PolarHBondContact O-OG1 2.85Å
240	E	96.9	Very high	91.7	Very high	24 Å²	24	52.6 Å²	52.6	11%	0.112	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-39.1	175.7	-73.7	156.8	178	0	0	111.3	N218 L219 N222 Q236 Q237 L238 T243 F244	N218-E240 HydrophobicContact CB-CG 4.28Å; L219-E240 HydrophobicContact CD2-CB 3.97Å; N222-E240 PolarHBondContact ND2-OE2 3.46Å; N222-E240 PolarHBondContact OD1-OE2 2.55Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.12Å; Q236-E240 PolarHBondContact NE2-OE1 2.72Å; Q236-E240 WeakPolarHBondContact O-CG 3.11Å; Q236-E240 PolarHBondContact O-N 2.83Å; Q237-E240 WeakPolarHBondContact CA-OE2 3.2Å; Q237-E240 PolarHBondContact O-N 3.18Å; L238-E240 VanDerWaalsContact C-N 3.34Å; E240-T243 PolarHBondContact O-N 3.33Å; E240-F244 WeakPolarHBondContact O-CB 3.31Å; E240-F244 PolarHBondContact O-N 2.95Å
241	Q	97	Very high	93.3	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-45.9	172.7	-66.9	172.6	2	0	0	111.9	L219 Y223 Q237 L238 F244 L245 F283	L219-Q241 HydrophobicContact CD2-CB 4.5Å; L219-Q241 HydrophobicContact CD2-CG 3.89Å; Y223-Q241 PolarHBondContact OH-NE2 3.35Å; Q237-Q241 WeakPolarHBondContact O-CG 2.9Å; Q237-Q241 PolarHBondContact O-N 3.32Å; Q237-Q241 VanDerWaalsContact O-N 3.12Å; L238-Q241 PolarHBondContact O-N 3.46Å; Q241-F244 PolarHBondContact O-N 3.32Å; Q241-L245 WeakPolarHBondContact O-CG 3.43Å; Q241-L245 PolarHBondContact O-N 2.88Å; Q241-L245 VanDerWaalsContact O-N 3.1Å; Q241-F283 HydrophobicContact CB-CD1 4.3Å; Q241-F283 HydrophobicContact CB-CD2 4.13Å; Q241-F283 HydrophobicContact CB-CE1 4.36Å; Q241-F283 HydrophobicContact CB-CE2 4.23Å; Q241-F283 HydrophobicContact CB-CG 4.16Å; Q241-F283 HydrophobicContact CB-CZ 4.33Å; Q241-F283 HydrophobicContact CG-CB 4.44Å; Q241-F283 HydrophobicContact CG-CD1 3.63Å; Q241-F283 HydrophobicContact CG-CD2 4.34Å; Q241-F283 HydrophobicContact CG-CE1 3.84Å; Q241-F283 HydrophobicContact CG-CG 3.88Å; Q241-F283 HydrophobicContact CG-CZ 4.29Å
242	E	96.9	Very high	94.6	Very high	96 Å²	96	52.3 Å²	52.3	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.7	-70.9	175.5	-175.2	0	0	112	L238 T239 L245 K246 K279	L238-E242 WeakPolarHBondContact O-CG 3.33Å; L238-E242 PolarHBondContact O-N 2.81Å; L238-E242 VanDerWaalsContact O-N 3.15Å; T239-E242 PolarHBondContact O-N 3.12Å; E242-L245 PolarHBondContact O-N 2.72Å; E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 PolarHBondContact O-N 3.43Å; E242-K279 HydrophobicContact CG-CD 4.47Å; E242-K279 IonicContact OE1-NZ 2.65Å; E242-K279 PolarHBondContact OE1-NZ 3.08Å
243	T	98.3	Very high	95.6	Very high	58 Å²	58	52.7 Å²	52.7	36%	0.356	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-46.1	177	-59.7	0	0	0	0	110.4	A215 T239 E240 L245 K246 E247	A215-T243 HydrophobicContact CB-CG2 4.43Å; T239-T243 WeakPolarHBondContact O-CB 3.29Å; T239-T243 PolarHBondContact O-N 2.71Å; T239-T243 PolarHBondContact O-OG1 2.85Å; E240-T243 PolarHBondContact O-N 3.33Å; T243-L245 PolarHBondContact O-N 3.14Å; T243-K246 PolarHBondContact O-N 2.92Å; T243-E247 HydrophobicContact CG2-CG 4.13Å; T243-E247 WeakPolarHBondContact O-CB 3.29Å; T243-E247 WeakPolarHBondContact O-CG 3.26Å; T243-E247 PolarHBondContact O-N 3.38Å
244	F	98.6	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-46.5	177.8	176.7	-108.6	0	0	0	112.6	A215 L216 L219 E240 Q241 K246 E247 T248 F283 F298 P369 L373	A215-F244 HydrophobicContact CB-CB 4.23Å; A215-F244 HydrophobicContact CB-CD2 4.11Å; L216-F244 HydrophobicContact CB-CD2 4.2Å; L216-F244 HydrophobicContact CB-CE2 3.81Å; L216-F244 HydrophobicContact CD1-CE2 3.81Å; L216-F244 HydrophobicContact CD1-CZ 3.96Å; L216-F244 HydrophobicContact CG-CE2 4.38Å; L219-F244 HydrophobicContact CD1-CB 3.56Å; L219-F244 HydrophobicContact CD1-CD1 3.6Å; L219-F244 HydrophobicContact CD1-CD2 4.03Å; L219-F244 HydrophobicContact CD1-CE1 4.25Å; L219-F244 HydrophobicContact CD1-CG 3.44Å; L219-F244 VanDerWaalsContact CD1-CG 3.44Å; L219-F244 HydrophobicContact CG-CB 4.27Å; E240-F244 WeakPolarHBondContact O-CB 3.31Å; E240-F244 PolarHBondContact O-N 2.95Å; Q241-F244 PolarHBondContact O-N 3.32Å; F244-K246 VanDerWaalsContact C-N 3.34Å; F244-K246 PolarHBondContact O-N 3.34Å; F244-E247 PolarHBondContact O-N 2.66Å; F244-T248 HydrophobicContact CD2-CG2 3.85Å; F244-T248 HydrophobicContact CE1-CG2 4.47Å; F244-T248 HydrophobicContact CE2-CG2 3.48Å; F244-T248 VanDerWaalsContact CE2-CG2 3.48Å; F244-T248 HydrophobicContact CG-CG2 4.47Å; F244-T248 HydrophobicContact CZ-CG2 3.85Å; F244-T248 WeakPolarHBondContact O-CB 3.18Å; F244-T248 WeakPolarHBondContact O-CG2 3.26Å; F244-T248 PolarHBondContact O-N 3Å; F244-T248 PolarHBondContact O-OG1 2.76Å; F244-F283 HydrophobicContact CD1-CE2 4.34Å; F244-F283 AromaticContact CD1-CZ 3.79Å; F244-F283 HydrophobicContact CD1-CZ 3.79Å; F244-F283 HydrophobicContact CE1-CZ 4.31Å; F244-F298 HydrophobicContact CE1-CD2 4.4Å; F244-F298 HydrophobicContact CE1-CE2 4.12Å; F244-F298 HydrophobicContact CZ-CE2 4.37Å; F244-P369 HydrophobicContact CE2-CB 3.87Å; F244-P369 HydrophobicContact CZ-CB 4.31Å; F244-L373 HydrophobicContact CD1-CD2 4.47Å; F244-L373 HydrophobicContact CE1-CD1 4.38Å; F244-L373 HydrophobicContact CE1-CD2 3.77Å; F244-L373 HydrophobicContact CZ-CD2 4.25Å
245	L	98.7	Very high	96.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-41.5	176.8	-68.8	174.8	0	0	0	112	Q241 E242 T243 T248 M249 I275 L278 K279 F283 L373	Q241-L245 WeakPolarHBondContact O-CG 3.43Å; Q241-L245 PolarHBondContact O-N 2.88Å; Q241-L245 VanDerWaalsContact O-N 3.1Å; E242-L245 PolarHBondContact O-N 2.72Å; T243-L245 PolarHBondContact O-N 3.14Å; L245-T248 PolarHBondContact O-OG1 2.93Å; L245-M249 WeakPolarHBondContact O-CA 3.35Å; L245-M249 VanDerWaalsContact O-CB 3.26Å; L245-M249 WeakPolarHBondContact O-CB 3.32Å; L245-M249 PolarHBondContact O-N 3.49Å; L245-I275 HydrophobicContact CB-CG2 4.33Å; L245-I275 HydrophobicContact CD1-CG2 4.39Å; L245-L278 HydrophobicContact CD2-CB 4.04Å; L245-L278 HydrophobicContact CD2-CD1 4.49Å; L245-K279 HydrophobicContact CD1-CB 3.6Å; L245-K279 HydrophobicContact CD1-CG 4.13Å; L245-F283 HydrophobicContact CD1-CD2 4.25Å; L245-F283 HydrophobicContact CD1-CE2 4.06Å; L245-F283 HydrophobicContact CD2-CE2 3.96Å; L245-F283 HydrophobicContact CG-CE2 3.88Å; L245-L373 HydrophobicContact CD2-CD2 4.01Å
246	K	98.4	Very high	97.2	Very high	112 Å²	112	47.8 Å²	47.8	49%	0.487	23%	0.233	S	C	.	.	I	π-helix	trans	-64.3	-50.2	177.4	-178.5	179.3	-179.4	-173.3	0	111.8	E242 T243 F244 T248 L250 N251	E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 PolarHBondContact O-N 3.43Å; T243-K246 PolarHBondContact O-N 2.92Å; F244-K246 VanDerWaalsContact C-N 3.34Å; F244-K246 PolarHBondContact O-N 3.34Å; K246-T248 VanDerWaalsContact C-N 3.3Å; K246-T248 PolarHBondContact O-N 3.01Å; K246-L250 HydrophobicContact CG-CB 4.38Å; K246-L250 HydrophobicContact CG-CD1 4.24Å; K246-L250 WeakPolarHBondContact O-CA 3.34Å; K246-L250 WeakPolarHBondContact O-CB 3.14Å; K246-L250 PolarHBondContact O-N 3.12Å; K246-N251 PolarHBondContact O-N 3.03Å
247	E	98.6	Very high	97.5	Very high	43 Å²	43	45.1 Å²	45.1	20%	0.201	22%	0.221	C	C	.	.	I	π-helix	trans	-61.5	-41.9	-179.2	-70.4	-51.1	141.4	0	0	111	P211 T212 A215 T243 F244 N251 T252	P211-E247 HydrophobicContact CB-CG 4.24Å; P211-E247 VanDerWaalsContact CB-OE2 3.26Å; P211-E247 WeakPolarHBondContact CB-OE2 3.32Å; T212-E247 HydrophobicContact CG2-CB 4.18Å; T212-E247 WeakPolarHBondContact CG2-O 3.34Å; A215-E247 HydrophobicContact CB-CB 4.35Å; A215-E247 HydrophobicContact CB-CG 4.28Å; T243-E247 HydrophobicContact CG2-CG 4.13Å; T243-E247 WeakPolarHBondContact O-CB 3.29Å; T243-E247 WeakPolarHBondContact O-CG 3.26Å; T243-E247 PolarHBondContact O-N 3.38Å; F244-E247 PolarHBondContact O-N 2.66Å; E247-N251 PolarHBondContact OE1-ND2 2.87Å; E247-N251 PolarHBondContact OE2-ND2 3.34Å; E247-T252 WeakPolarHBondContact O-CG2 3.01Å
248	T	98.7	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-79.1	-45.6	-177.3	55	0	0	0	0	113.5	T212 F244 L245 K246 T252 P369 E370 L373	T212-T248 HydrophobicContact CG2-CG2 4.09Å; F244-T248 HydrophobicContact CD2-CG2 3.85Å; F244-T248 HydrophobicContact CE1-CG2 4.47Å; F244-T248 HydrophobicContact CE2-CG2 3.48Å; F244-T248 VanDerWaalsContact CE2-CG2 3.48Å; F244-T248 HydrophobicContact CG-CG2 4.47Å; F244-T248 HydrophobicContact CZ-CG2 3.85Å; F244-T248 WeakPolarHBondContact O-CB 3.18Å; F244-T248 WeakPolarHBondContact O-CG2 3.26Å; F244-T248 PolarHBondContact O-N 3Å; F244-T248 PolarHBondContact O-OG1 2.76Å; L245-T248 PolarHBondContact O-OG1 2.93Å; K246-T248 VanDerWaalsContact C-N 3.3Å; K246-T248 PolarHBondContact O-N 3.01Å; T248-T252 WeakPolarHBondContact O-CG2 3.06Å; T248-T252 PolarHBondContact O-OG1 2.87Å; T248-P369 HydrophobicContact CG2-CB 4.34Å; T248-E370 HydrophobicContact CG2-CB 3.92Å; T248-E370 WeakPolarHBondContact O-CB 3.21Å; T248-L373 WeakPolarHBondContact OG1-CD2 3.36Å
249	M	98.6	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-98.9	-27.5	-168.7	-65.1	-65.5	116.9	0	0	114.2	L245 G255 R256 L258 F274 I275 L278 E370 L373 A374	L245-M249 WeakPolarHBondContact O-CA 3.35Å; L245-M249 VanDerWaalsContact O-CB 3.26Å; L245-M249 WeakPolarHBondContact O-CB 3.32Å; L245-M249 PolarHBondContact O-N 3.49Å; M249-G255 CarbonylContact O-C 3.59Å; M249-G255 WeakPolarHBondContact O-CA 3.28Å; M249-R256 PolarHBondContact O-N 2.85Å; M249-L258 HydrophobicContact SD-CD2 4.24Å; M249-F274 HydrophobicContact CB-CE1 4.11Å; M249-F274 HydrophobicContact CG-CE1 4.34Å; M249-F274 HydrophobicContact CG-CZ 4.49Å; M249-F274 HydrophobicContact SD-CE1 4.27Å; M249-F274 HydrophobicContact SD-CZ 4.04Å; M249-I275 HydrophobicContact CB-CD1 3.59Å; M249-I275 HydrophobicContact CG-CD1 4.36Å; M249-L278 HydrophobicContact CG-CD1 3.65Å; M249-L278 HydrophobicContact SD-CD1 4.09Å; M249-E370 HydrophobicContact CE-CB 4.21Å; M249-E370 WeakPolarHBondContact CE-O 3.47Å; M249-L373 HydrophobicContact CE-CB 4.02Å; M249-L373 HydrophobicContact CE-CD2 3.74Å; M249-L373 HydrophobicContact CE-CG 3.99Å; M249-L373 HydrophobicContact CG-CD2 4.12Å; M249-L373 HydrophobicContact SD-CD2 4.49Å; M249-A374 HydrophobicContact CE-CB 4Å
250	L	97.6	Very high	97.9	Very high	48 Å²	48	39.8 Å²	39.8	25%	0.251	20%	0.195	S	C	.	.	I	π-helix	trans	-103.8	-37.9	-177.4	-57.8	-176.5	0	0	0	112.5	K246 R256 E271 I275	K246-L250 HydrophobicContact CG-CB 4.38Å; K246-L250 HydrophobicContact CG-CD1 4.24Å; K246-L250 WeakPolarHBondContact O-CA 3.34Å; K246-L250 WeakPolarHBondContact O-CB 3.14Å; K246-L250 PolarHBondContact O-N 3.12Å; L250-R256 WeakPolarHBondContact O-CD 3.48Å; L250-R256 WeakPolarHBondContact O-CG 3.2Å; L250-R256 PolarHBondContact O-NH1 3.1Å; L250-E271 HydrophobicContact CD2-CB 4.41Å; L250-I275 HydrophobicContact CD1-CD1 4.36Å; L250-I275 HydrophobicContact CD1-CG1 4.11Å; L250-I275 HydrophobicContact CD2-CD1 3.83Å; L250-I275 HydrophobicContact CD2-CG1 3.82Å; L250-I275 HydrophobicContact CG-CD1 3.87Å; L250-I275 HydrophobicContact CG-CG1 4.07Å
251	N	98.1	Very high	97.8	Very high	77 Å²	77	39.9 Å²	39.9	41%	0.412	20%	0.195	S	C	.	.	S	Bend	trans	-85.9	-18.7	-175.1	-66.5	-13.3	0	0	0	113.3	K246 E247 R256	K246-N251 PolarHBondContact O-N 3.03Å; E247-N251 PolarHBondContact OE1-ND2 2.87Å; E247-N251 PolarHBondContact OE2-ND2 3.34Å; N251-R256 PolarHBondContact O-NH1 2.83Å
252	T	98.3	Very high	97.8	Very high	14 Å²	14	39.7 Å²	39.7	9%	0.086	19%	0.194	C	C	.	.	S	Bend	trans	-93.9	150.7	175.9	75.9	0	0	0	0	112.6	T212 E247 T248 L254 G255 R256 E370	T212-T252 HydrophobicContact CG2-CG2 3.8Å; E247-T252 WeakPolarHBondContact O-CG2 3.01Å; T248-T252 WeakPolarHBondContact O-CG2 3.06Å; T248-T252 PolarHBondContact O-OG1 2.87Å; T252-L254 VanDerWaalsContact C-N 3.32Å; T252-G255 PolarHBondContact OG1-N 3.33Å; T252-R256 WeakPolarHBondContact O-CG 3.4Å; T252-R256 PolarHBondContact O-N 3.46Å; T252-R256 PolarHBondContact O-NH1 3.13Å; T252-E370 HydrophobicContact CG2-CB 4.32Å; T252-E370 HydrophobicContact CG2-CG 3.91Å; T252-E370 WeakPolarHBondContact CG2-OE1 3.48Å
253	E	97.6	Very high	97.5	Very high	115 Å²	115	41.1 Å²	41.1	54%	0.537	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-38	172.8	-167.1	174.1	177	0	0	111.6	L164 G255 R256 E257	L164-E253 HydrophobicContact CD1-CG 4.3Å; L164-E253 HydrophobicContact CD2-CB 4.32Å; L164-E253 VanDerWaalsContact CD2-CD 3.46Å; L164-E253 HydrophobicContact CD2-CG 3.75Å; E253-G255 PolarHBondContact O-N 3.2Å; E253-R256 PolarHBondContact O-N 3.26Å; E253-E257 WeakPolarHBondContact O-CB 3.36Å; E253-E257 PolarHBondContact O-N 3.4Å
254	L	98.4	Very high	96.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-56.4	-50.3	174.6	-178.4	163.3	0	0	0	112.1	L161 L164 D165 T252 E257 L258 E370 F371 A374	L161-L254 HydrophobicContact CB-CG 4.2Å; L161-L254 HydrophobicContact CD2-CD2 4.15Å; L161-L254 HydrophobicContact CD2-CG 3.91Å; L161-L254 VanDerWaalsContact CD2-O 3.26Å; L161-L254 WeakPolarHBondContact CD2-O 3.48Å; L161-L254 WeakPolarHBondContact O-CD1 3.45Å; L164-L254 HydrophobicContact CB-CB 3.97Å; D165-L254 HydrophobicContact CB-CD1 3.86Å; T252-L254 VanDerWaalsContact C-N 3.32Å; L254-E257 PolarHBondContact O-N 3.46Å; L254-L258 PolarHBondContact O-N 3.48Å; L254-E370 HydrophobicContact CD1-CG 4.26Å; L254-E370 HydrophobicContact CD2-CB 4.42Å; L254-E370 HydrophobicContact CD2-CG 4.4Å; L254-F371 HydrophobicContact CD1-CB 3.94Å; L254-F371 HydrophobicContact CD1-CD2 3.91Å; L254-F371 HydrophobicContact CD1-CG 4.43Å; L254-A374 HydrophobicContact CD2-CB 3.4Å
255	G	98.4	Very high	96.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-43.6	179.3	0	0	0	0	0	112.7	M249 T252 E253 E257 L258 F259	M249-G255 CarbonylContact O-C 3.59Å; M249-G255 WeakPolarHBondContact O-CA 3.28Å; T252-G255 PolarHBondContact OG1-N 3.33Å; E253-G255 PolarHBondContact O-N 3.2Å; G255-E257 VanDerWaalsContact C-N 3.34Å; G255-E257 PolarHBondContact O-N 2.85Å; G255-L258 PolarHBondContact O-N 3.02Å; G255-F259 PolarHBondContact O-N 3.13Å
256	R	97.6	Very high	95.9	Very high	106 Å²	106	46.7 Å²	46.7	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-36.5	176.3	-70	-170.7	-58.7	-88.3	-0.6	112.4	M249 L250 N251 T252 E253 F259 A260	M249-R256 PolarHBondContact O-N 2.85Å; L250-R256 WeakPolarHBondContact O-CD 3.48Å; L250-R256 WeakPolarHBondContact O-CG 3.2Å; L250-R256 PolarHBondContact O-NH1 3.1Å; N251-R256 PolarHBondContact O-NH1 2.83Å; T252-R256 WeakPolarHBondContact O-CG 3.4Å; T252-R256 PolarHBondContact O-N 3.46Å; T252-R256 PolarHBondContact O-NH1 3.13Å; E253-R256 PolarHBondContact O-N 3.26Å; R256-F259 PolarHBondContact O-N 3.14Å; R256-A260 VanDerWaalsContact O-CB 3.3Å; R256-A260 WeakPolarHBondContact O-CB 3.29Å; R256-A260 PolarHBondContact O-N 3.24Å
257	E	98.3	Very high	95.6	Very high	74 Å²	74	43.4 Å²	43.4	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-66.2	-42.5	175.9	-177.3	60.2	-157.8	0	0	111.6	L157 T160 L161 L164 E253 L254 G255 F259 A260 F261	L157-E257 HydrophobicContact CD1-CG 4.17Å; T160-E257 HydrophobicContact CG2-CG 3.96Å; L161-E257 HydrophobicContact CD2-CB 4.17Å; L161-E257 HydrophobicContact CD2-CG 4.25Å; L164-E257 HydrophobicContact CD1-CB 3.61Å; L164-E257 HydrophobicContact CD1-CG 3.8Å; E253-E257 WeakPolarHBondContact O-CB 3.36Å; E253-E257 PolarHBondContact O-N 3.4Å; L254-E257 PolarHBondContact O-N 3.46Å; G255-E257 VanDerWaalsContact C-N 3.34Å; G255-E257 PolarHBondContact O-N 2.85Å; E257-F259 VanDerWaalsContact C-N 3.34Å; E257-F259 PolarHBondContact O-N 3.03Å; E257-A260 PolarHBondContact O-N 3.44Å; E257-F261 WeakPolarHBondContact O-CB 3.34Å; E257-F261 PolarHBondContact O-N 3.17Å
258	L	98.7	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-47.7	173.2	175.3	62.1	0	0	0	111.1	L157 L161 M249 L254 G255 F261 L262 F274 A374 L378	L157-L258 HydrophobicContact CD2-CD1 4.18Å; L161-L258 HydrophobicContact CD2-CB 4.27Å; M249-L258 HydrophobicContact SD-CD2 4.24Å; L254-L258 PolarHBondContact O-N 3.48Å; G255-L258 PolarHBondContact O-N 3.02Å; L258-F261 PolarHBondContact O-N 3.34Å; L258-L262 HydrophobicContact CD1-CD1 3.71Å; L258-L262 HydrophobicContact CD1-CG 4.07Å; L258-L262 HydrophobicContact CG-CD1 3.87Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.21Å; L258-L262 PolarHBondContact O-N 3.43Å; L258-F274 HydrophobicContact CD2-CZ 4.05Å; L258-F274 HydrophobicContact CG-CZ 4.25Å; L258-A374 HydrophobicContact CD2-CB 3.71Å; L258-L378 HydrophobicContact CD1-CB 3.96Å; L258-L378 HydrophobicContact CD1-CD1 4.15Å; L258-L378 HydrophobicContact CD1-CG 4.5Å
259	F	98.2	Very high	95	Very high	23 Å²	23	49.8 Å²	49.8	10%	0.101	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-48.2	176.9	171.3	-107	0	0	0	111.5	G255 R256 E257 F261 L262 Y263 S270 E271 F274	G255-F259 PolarHBondContact O-N 3.13Å; R256-F259 PolarHBondContact O-N 3.14Å; E257-F259 VanDerWaalsContact C-N 3.34Å; E257-F259 PolarHBondContact O-N 3.03Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 3.08Å; F259-L262 PolarHBondContact O-N 3.44Å; F259-L262 VanDerWaalsContact O-N 3.15Å; F259-Y263 HydrophobicContact CE1-CG 4.48Å; F259-Y263 HydrophobicContact CE2-CD2 4.47Å; F259-Y263 AromaticContact CZ-CD2 3.85Å; F259-Y263 HydrophobicContact CZ-CD2 3.85Å; F259-Y263 HydrophobicContact CZ-CG 4.13Å; F259-Y263 VanDerWaalsContact O-CB 3.26Å; F259-Y263 WeakPolarHBondContact O-CB 3.17Å; F259-Y263 PolarHBondContact O-N 3.28Å; F259-S270 WeakPolarHBondContact CE2-O 3.21Å; F259-E271 HydrophobicContact CD1-CG 3.46Å; F259-E271 VanDerWaalsContact CD1-CG 3.46Å; F259-E271 HydrophobicContact CD2-CG 4.36Å; F259-E271 HydrophobicContact CE1-CB 4.29Å; F259-E271 HydrophobicContact CE1-CG 3.17Å; F259-E271 HydrophobicContact CE2-CB 4.49Å; F259-E271 HydrophobicContact CE2-CG 4.13Å; F259-E271 HydrophobicContact CG-CG 4.06Å; F259-E271 HydrophobicContact CZ-CB 4.21Å; F259-E271 HydrophobicContact CZ-CG 3.54Å; F259-F274 HydrophobicContact CB-CD1 3.76Å; F259-F274 HydrophobicContact CB-CE1 3.76Å; F259-F274 HydrophobicContact CD2-CB 3.55Å; F259-F274 AromaticContact CD2-CD1 3.56Å; F259-F274 HydrophobicContact CD2-CD1 3.56Å; F259-F274 HydrophobicContact CD2-CE1 4.38Å; F259-F274 AromaticContact CD2-CG 3.67Å; F259-F274 HydrophobicContact CD2-CG 3.67Å; F259-F274 HydrophobicContact CE2-CB 3.84Å; F259-F274 HydrophobicContact CE2-CG 4.45Å; F259-F274 AromaticContact CG-CD1 3.98Å; F259-F274 HydrophobicContact CG-CD1 3.98Å; F259-F274 HydrophobicContact CG-CE1 4.48Å
260	A	93.4	Very high	94.8	Very high	39 Å²	39	52.2 Å²	52.2	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-45.3	179.8	0	0	0	0	0	111.1	R256 E257 Y263 T264	R256-A260 VanDerWaalsContact O-CB 3.3Å; R256-A260 WeakPolarHBondContact O-CB 3.29Å; R256-A260 PolarHBondContact O-N 3.24Å; E257-A260 PolarHBondContact O-N 3.44Å; A260-Y263 PolarHBondContact O-N 2.9Å; A260-T264 VanDerWaalsContact O-CG2 3.24Å; A260-T264 WeakPolarHBondContact O-CG2 3.37Å; A260-T264 PolarHBondContact O-N 2.97Å; A260-T264 PolarHBondContact O-OG1 3.08Å
261	F	95.2	Very high	94.7	Very high	26 Å²	26	54.5 Å²	54.5	11%	0.114	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-55	173.7	177.2	-97	0	0	0	111.4	I149 E153 L157 E257 L258 F259 Y263 T264 K265 L378	I149-F261 HydrophobicContact CD1-CE1 3.95Å; I149-F261 HydrophobicContact CG1-CE1 3.96Å; I149-F261 HydrophobicContact CG1-CZ 4.25Å; I149-F261 HydrophobicContact CG2-CE1 3.89Å; I149-F261 HydrophobicContact CG2-CZ 3.86Å; E153-F261 HydrophobicContact CB-CE2 4.08Å; E153-F261 HydrophobicContact CB-CZ 3.93Å; L157-F261 HydrophobicContact CD1-CB 4.12Å; L157-F261 HydrophobicContact CD1-CG 4.29Å; L157-F261 HydrophobicContact CD2-CB 3.92Å; L157-F261 HydrophobicContact CD2-CD1 3.37Å; L157-F261 HydrophobicContact CD2-CD2 4.07Å; L157-F261 HydrophobicContact CD2-CE1 3.81Å; L157-F261 HydrophobicContact CD2-CE2 4.46Å; L157-F261 HydrophobicContact CD2-CG 3.51Å; L157-F261 HydrophobicContact CD2-CZ 4.34Å; L157-F261 HydrophobicContact CG-CG 4.45Å; E257-F261 WeakPolarHBondContact O-CB 3.34Å; E257-F261 PolarHBondContact O-N 3.17Å; L258-F261 PolarHBondContact O-N 3.34Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 3.08Å; F261-Y263 VanDerWaalsContact C-N 3.26Å; F261-Y263 PolarHBondContact O-N 2.84Å; F261-T264 PolarHBondContact O-N 2.92Å; F261-T264 VanDerWaalsContact O-N 3.11Å; F261-T264 PolarHBondContact O-OG1 3.45Å; F261-K265 HydrophobicContact CD1-CG 4.18Å; F261-K265 HydrophobicContact CD2-CG 4.41Å; F261-K265 HydrophobicContact CE1-CG 3.82Å; F261-K265 HydrophobicContact CE2-CD 4.16Å; F261-K265 HydrophobicContact CE2-CG 4.05Å; F261-K265 HydrophobicContact CG-CG 4.47Å; F261-K265 HydrophobicContact CZ-CD 4.02Å; F261-K265 HydrophobicContact CZ-CG 3.74Å; F261-K265 VanDerWaalsContact O-CG 3.29Å; F261-K265 WeakPolarHBondContact O-CG 3.32Å; F261-K265 PolarHBondContact O-N 3.49Å; F261-L378 HydrophobicContact CE1-CD1 4.29Å
262	L	96.6	Very high	94.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-32.9	-177	-66	172	0	0	0	112.6	I149 L258 F259 K265 G266 V267 Y268 F274 L378 I381	I149-L262 HydrophobicContact CD1-CD2 3.79Å; L258-L262 HydrophobicContact CD1-CD1 3.71Å; L258-L262 HydrophobicContact CD1-CG 4.07Å; L258-L262 HydrophobicContact CG-CD1 3.87Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.21Å; L258-L262 PolarHBondContact O-N 3.43Å; F259-L262 PolarHBondContact O-N 3.44Å; F259-L262 VanDerWaalsContact O-N 3.15Å; L262-K265 PolarHBondContact O-N 3.17Å; L262-G266 PolarHBondContact O-N 3.28Å; L262-V267 HydrophobicContact CB-CB 4.23Å; L262-V267 HydrophobicContact CD2-CB 4.37Å; L262-V267 HydrophobicContact CD2-CG1 4.49Å; L262-V267 HydrophobicContact CD2-CG2 4.18Å; L262-V267 WeakPolarHBondContact O-CB 3.32Å; L262-V267 PolarHBondContact O-N 3.28Å; L262-Y268 HydrophobicContact CB-CD2 3.84Å; L262-Y268 HydrophobicContact CB-CE2 4.32Å; L262-Y268 HydrophobicContact CD1-CD2 4.19Å; L262-Y268 HydrophobicContact CD1-CE2 3.88Å; L262-F274 HydrophobicContact CD1-CD2 4.49Å; L262-F274 HydrophobicContact CD1-CE2 3.96Å; L262-L378 HydrophobicContact CD2-CD1 4.48Å; L262-I381 HydrophobicContact CD1-CD1 3.96Å; L262-I381 HydrophobicContact CD2-CG2 4.13Å
263	Y	91.1	Very high	94.6	Very high	127 Å²	127	56.9 Å²	56.9	50%	0.498	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-49.1	171.8	179.6	-96.6	0	0	0	111.5	F259 A260 F261 K265 G266 Y268 K269	F259-Y263 HydrophobicContact CE1-CG 4.48Å; F259-Y263 HydrophobicContact CE2-CD2 4.47Å; F259-Y263 AromaticContact CZ-CD2 3.85Å; F259-Y263 HydrophobicContact CZ-CD2 3.85Å; F259-Y263 HydrophobicContact CZ-CG 4.13Å; F259-Y263 VanDerWaalsContact O-CB 3.26Å; F259-Y263 WeakPolarHBondContact O-CB 3.17Å; F259-Y263 PolarHBondContact O-N 3.28Å; A260-Y263 PolarHBondContact O-N 2.9Å; F261-Y263 VanDerWaalsContact C-N 3.26Å; F261-Y263 PolarHBondContact O-N 2.84Å; Y263-K265 PolarHBondContact O-N 3.01Å; Y263-G266 PolarHBondContact O-N 3.29Å; Y263-Y268 VanDerWaalsContact CD2-O 3.3Å; Y263-Y268 WeakPolarHBondContact CD2-O 3.24Å; Y263-K269 WeakPolarHBondContact CE2-O 3.05Å
264	T	86.9	Confident	94.6	Very high	106 Å²	106	51.4 Å²	51.4	65%	0.65	28%	0.275	S	S	*	.	H	α-helix	trans	-64	-28.7	178.1	63.5	0	0	0	0	112.9	A260 F261 G266	A260-T264 VanDerWaalsContact O-CG2 3.24Å; A260-T264 WeakPolarHBondContact O-CG2 3.37Å; A260-T264 PolarHBondContact O-N 2.97Å; A260-T264 PolarHBondContact O-OG1 3.08Å; F261-T264 PolarHBondContact O-N 2.92Å; F261-T264 VanDerWaalsContact O-N 3.11Å; F261-T264 PolarHBondContact O-OG1 3.45Å; T264-G266 PolarHBondContact O-N 3.38Å
265	K	88.8	Confident	94.6	Very high	22 Å²	22	52.9 Å²	52.9	10%	0.096	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-4	174.5	-60.8	-62.6	-66.4	-176	0	113.2	G146 A147 I149 E153 F261 L262 Y263 V267	G146-K265 WeakPolarHBondContact CA-O 3.24Å; A147-K265 HydrophobicContact CB-CD 4.35Å; A147-K265 PolarHBondContact N-O 3.09Å; A147-K265 WeakPolarHBondContact O-CE 3.32Å; A147-K265 PolarHBondContact O-NZ 3.1Å; I149-K265 HydrophobicContact CG1-CB 4.29Å; I149-K265 HydrophobicContact CG1-CG 4.11Å; E153-K265 IonicContact OE1-NZ 3.29Å; E153-K265 PolarHBondContact OE1-NZ 3.35Å; E153-K265 IonicContact OE2-NZ 2.85Å; E153-K265 PolarHBondContact OE2-NZ 2.86Å; F261-K265 HydrophobicContact CD1-CG 4.18Å; F261-K265 HydrophobicContact CD2-CG 4.41Å; F261-K265 HydrophobicContact CE1-CG 3.82Å; F261-K265 HydrophobicContact CE2-CD 4.16Å; F261-K265 HydrophobicContact CE2-CG 4.05Å; F261-K265 HydrophobicContact CG-CG 4.47Å; F261-K265 HydrophobicContact CZ-CD 4.02Å; F261-K265 HydrophobicContact CZ-CG 3.74Å; F261-K265 VanDerWaalsContact O-CG 3.29Å; F261-K265 WeakPolarHBondContact O-CG 3.32Å; F261-K265 PolarHBondContact O-N 3.49Å; L262-K265 PolarHBondContact O-N 3.17Å; Y263-K265 PolarHBondContact O-N 3.01Å; K265-V267 VanDerWaalsContact C-N 3.28Å; K265-V267 HydrophobicContact CB-CG2 4.07Å; K265-V267 PolarHBondContact O-N 3.46Å
266	G	86.8	Confident	94.5	Very high	48 Å²	48	57.6 Å²	57.6	50%	0.495	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	14.3	-179.5	0	0	0	0	0	114.1	L262 Y263 T264	L262-G266 PolarHBondContact O-N 3.28Å; Y263-G266 PolarHBondContact O-N 3.29Å; T264-G266 PolarHBondContact O-N 3.38Å
267	V	92.4	Very high	94.4	Very high	43 Å²	43	53.2 Å²	53.2	26%	0.261	29%	0.289	S	S	.	.	S	Bend	trans	-72.4	-39.3	-179.9	-179.9	0	0	0	0	111.1	I149 L262 K265 I381	I149-V267 HydrophobicContact CD1-CG2 4.1Å; L262-V267 HydrophobicContact CB-CB 4.23Å; L262-V267 HydrophobicContact CD2-CB 4.37Å; L262-V267 HydrophobicContact CD2-CG1 4.49Å; L262-V267 HydrophobicContact CD2-CG2 4.18Å; L262-V267 WeakPolarHBondContact O-CB 3.32Å; L262-V267 PolarHBondContact O-N 3.28Å; K265-V267 VanDerWaalsContact C-N 3.28Å; K265-V267 HydrophobicContact CB-CG2 4.07Å; K265-V267 PolarHBondContact O-N 3.46Å; V267-I381 HydrophobicContact CG1-CG2 3.79Å
268	Y	93.9	Very high	94.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.016	27%	0.273	C	S	.	.			trans	-128.5	146.6	176.4	-62.7	-66.1	0	0	0	110.5	L262 Y263 E273 F274 D277 I381	L262-Y268 HydrophobicContact CB-CD2 3.84Å; L262-Y268 HydrophobicContact CB-CE2 4.32Å; L262-Y268 HydrophobicContact CD1-CD2 4.19Å; L262-Y268 HydrophobicContact CD1-CE2 3.88Å; Y263-Y268 VanDerWaalsContact CD2-O 3.3Å; Y263-Y268 WeakPolarHBondContact CD2-O 3.24Å; Y268-E273 HydrophobicContact CD1-CG 4.04Å; Y268-F274 HydrophobicContact CD1-CB 4.38Å; Y268-F274 HydrophobicContact CD2-CB 4Å; Y268-F274 AromaticContact CD2-CD2 3.62Å; Y268-F274 HydrophobicContact CD2-CD2 3.62Å; Y268-F274 HydrophobicContact CD2-CE2 4.47Å; Y268-F274 HydrophobicContact CD2-CG 4.17Å; Y268-F274 HydrophobicContact CE2-CB 4.48Å; Y268-F274 AromaticContact CE2-CD2 3.4Å; Y268-F274 HydrophobicContact CE2-CD2 3.4Å; Y268-F274 HydrophobicContact CE2-CE2 4.04Å; Y268-F274 HydrophobicContact CE2-CG 4.35Å; Y268-F274 HydrophobicContact CG-CB 3.96Å; Y268-F274 HydrophobicContact CG-CD2 4.36Å; Y268-F274 AromaticContact CZ-CD2 3.97Å; Y268-D277 HydrophobicContact CE1-CB 3.64Å; Y268-D277 WeakPolarHBondContact CE1-OD2 3.34Å; Y268-D277 PolarHBondContact OH-OD2 2.64Å; Y268-I381 HydrophobicContact CE2-CD1 4.03Å; Y268-I381 WeakPolarHBondContact OH-CD1 3.1Å
269	K	90.8	Very high	94.3	Very high	173 Å²	173	51.8 Å²	51.8	75%	0.752	28%	0.282	S	S	*	.	S	Bend	trans	-98.6	-11.2	-178.8	-57.9	175.2	-177.8	174.8	0	113.1	Y263 E273	Y263-K269 WeakPolarHBondContact CE2-O 3.05Å; K269-E273 VanDerWaalsContact CB-OE2 3.3Å; K269-E273 WeakPolarHBondContact CB-OE2 3.45Å; K269-E273 PolarHBondContact N-OE2 3.04Å
270	S	94.8	Very high	94.2	Very high	50 Å²	50	53.1 Å²	53.1	35%	0.35	29%	0.29	S	S	.	.	S	Bend	trans	-161.6	159.4	179	64.6	0	0	0	0	112	F259 A272 E273 F274	F259-S270 WeakPolarHBondContact CE2-O 3.21Å; S270-A272 PolarHBondContact O-N 2.92Å; S270-E273 PolarHBondContact O-N 3.06Å; S270-E273 WeakPolarHBondContact OG-CB 3.41Å; S270-E273 PolarHBondContact OG-N 2.98Å; S270-E273 VanDerWaalsContact OG-N 3.13Å; S270-F274 PolarHBondContact O-N 3.07Å
271	E	94.6	Very high	94.3	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-38.3	173.3	-70.8	179.1	110.3	0	0	111.3	L250 F259 E273 F274 I275	L250-E271 HydrophobicContact CD2-CB 4.41Å; F259-E271 HydrophobicContact CD1-CG 3.46Å; F259-E271 VanDerWaalsContact CD1-CG 3.46Å; F259-E271 HydrophobicContact CD2-CG 4.36Å; F259-E271 HydrophobicContact CE1-CB 4.29Å; F259-E271 HydrophobicContact CE1-CG 3.17Å; F259-E271 HydrophobicContact CE2-CB 4.49Å; F259-E271 HydrophobicContact CE2-CG 4.13Å; F259-E271 HydrophobicContact CG-CG 4.06Å; F259-E271 HydrophobicContact CZ-CB 4.21Å; F259-E271 HydrophobicContact CZ-CG 3.54Å; E271-E273 PolarHBondContact O-N 3.38Å; E271-F274 PolarHBondContact O-N 2.97Å; E271-I275 VanDerWaalsContact O-CG1 3.32Å; E271-I275 WeakPolarHBondContact O-CG1 3.25Å; E271-I275 PolarHBondContact O-N 3.04Å
272	A	97	Very high	94.3	Very high	73 Å²	73	50.2 Å²	50.2	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-61.9	-43.2	177.8	0	0	0	0	0	111.9	S270 E276	S270-A272 PolarHBondContact O-N 2.92Å; A272-E276 VanDerWaalsContact O-CB 3.26Å; A272-E276 WeakPolarHBondContact O-CB 3.46Å; A272-E276 PolarHBondContact O-N 2.81Å
273	E	96.5	Very high	94.2	Very high	69 Å²	69	50.7 Å²	50.7	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-43.7	175.4	-173.9	-173.2	178.5	0	0	111.5	Y268 K269 S270 E271 E276 D277	Y268-E273 HydrophobicContact CD1-CG 4.04Å; K269-E273 VanDerWaalsContact CB-OE2 3.3Å; K269-E273 WeakPolarHBondContact CB-OE2 3.45Å; K269-E273 PolarHBondContact N-OE2 3.04Å; S270-E273 PolarHBondContact O-N 3.06Å; S270-E273 WeakPolarHBondContact OG-CB 3.41Å; S270-E273 PolarHBondContact OG-N 2.98Å; S270-E273 VanDerWaalsContact OG-N 3.13Å; E271-E273 PolarHBondContact O-N 3.38Å; E273-E276 PolarHBondContact O-N 3.11Å; E273-D277 VanDerWaalsContact O-CB 3.31Å; E273-D277 WeakPolarHBondContact O-CB 3.43Å; E273-D277 PolarHBondContact O-N 3.27Å
274	F	97.5	Very high	94.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-49.2	177.8	170.1	-127.3	0	0	0	112	M249 L258 F259 L262 Y268 S270 E271 D277 L278	M249-F274 HydrophobicContact CB-CE1 4.11Å; M249-F274 HydrophobicContact CG-CE1 4.34Å; M249-F274 HydrophobicContact CG-CZ 4.49Å; M249-F274 HydrophobicContact SD-CE1 4.27Å; M249-F274 HydrophobicContact SD-CZ 4.04Å; L258-F274 HydrophobicContact CD2-CZ 4.05Å; L258-F274 HydrophobicContact CG-CZ 4.25Å; F259-F274 HydrophobicContact CB-CD1 3.76Å; F259-F274 HydrophobicContact CB-CE1 3.76Å; F259-F274 HydrophobicContact CD2-CB 3.55Å; F259-F274 AromaticContact CD2-CD1 3.56Å; F259-F274 HydrophobicContact CD2-CD1 3.56Å; F259-F274 HydrophobicContact CD2-CE1 4.38Å; F259-F274 AromaticContact CD2-CG 3.67Å; F259-F274 HydrophobicContact CD2-CG 3.67Å; F259-F274 HydrophobicContact CE2-CB 3.84Å; F259-F274 HydrophobicContact CE2-CG 4.45Å; F259-F274 AromaticContact CG-CD1 3.98Å; F259-F274 HydrophobicContact CG-CD1 3.98Å; F259-F274 HydrophobicContact CG-CE1 4.48Å; L262-F274 HydrophobicContact CD1-CD2 4.49Å; L262-F274 HydrophobicContact CD1-CE2 3.96Å; Y268-F274 HydrophobicContact CD1-CB 4.38Å; Y268-F274 HydrophobicContact CD2-CB 4Å; Y268-F274 AromaticContact CD2-CD2 3.62Å; Y268-F274 HydrophobicContact CD2-CD2 3.62Å; Y268-F274 HydrophobicContact CD2-CE2 4.47Å; Y268-F274 HydrophobicContact CD2-CG 4.17Å; Y268-F274 HydrophobicContact CE2-CB 4.48Å; Y268-F274 AromaticContact CE2-CD2 3.4Å; Y268-F274 HydrophobicContact CE2-CD2 3.4Å; Y268-F274 HydrophobicContact CE2-CE2 4.04Å; Y268-F274 HydrophobicContact CE2-CG 4.35Å; Y268-F274 HydrophobicContact CG-CB 3.96Å; Y268-F274 HydrophobicContact CG-CD2 4.36Å; Y268-F274 AromaticContact CZ-CD2 3.97Å; S270-F274 PolarHBondContact O-N 3.07Å; E271-F274 PolarHBondContact O-N 2.97Å; F274-D277 PolarHBondContact O-N 3.17Å; F274-L278 HydrophobicContact CD1-CD1 4.5Å; F274-L278 HydrophobicContact CD2-CD1 4.14Å; F274-L278 HydrophobicContact CD2-CG 4.04Å; F274-L278 HydrophobicContact CE1-CD1 3.93Å; F274-L278 HydrophobicContact CE2-CD1 3.53Å; F274-L278 HydrophobicContact CE2-CD2 4.04Å; F274-L278 HydrophobicContact CE2-CG 3.71Å; F274-L278 HydrophobicContact CZ-CD1 3.42Å; F274-L278 VanDerWaalsContact CZ-CD1 3.42Å; F274-L278 HydrophobicContact CZ-CG 4.15Å; F274-L278 WeakPolarHBondContact O-CG 3.46Å; F274-L278 PolarHBondContact O-N 3.43Å
275	I	98.2	Very high	94.3	Very high	32 Å²	32	41.7 Å²	41.7	16%	0.164	23%	0.232	C	C	.	.	H	α-helix	trans	-67	-41.3	-179.2	-65.7	-63.7	0	0	0	111.6	L245 M249 L250 E271 D277 L278 K279	L245-I275 HydrophobicContact CB-CG2 4.33Å; L245-I275 HydrophobicContact CD1-CG2 4.39Å; M249-I275 HydrophobicContact CB-CD1 3.59Å; M249-I275 HydrophobicContact CG-CD1 4.36Å; L250-I275 HydrophobicContact CD1-CD1 4.36Å; L250-I275 HydrophobicContact CD1-CG1 4.11Å; L250-I275 HydrophobicContact CD2-CD1 3.83Å; L250-I275 HydrophobicContact CD2-CG1 3.82Å; L250-I275 HydrophobicContact CG-CD1 3.87Å; L250-I275 HydrophobicContact CG-CG1 4.07Å; E271-I275 VanDerWaalsContact O-CG1 3.32Å; E271-I275 WeakPolarHBondContact O-CG1 3.25Å; E271-I275 PolarHBondContact O-N 3.04Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.33Å; I275-L278 PolarHBondContact O-N 3Å; I275-K279 WeakPolarHBondContact O-CB 3.3Å; I275-K279 PolarHBondContact O-N 2.93Å
276	E	96.6	Very high	93.9	Very high	98 Å²	98	40.6 Å²	40.6	46%	0.458	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-39	176.2	-177.6	57.1	-156.4	0	0	111.4	A272 E273 K279 N280	A272-E276 VanDerWaalsContact O-CB 3.26Å; A272-E276 WeakPolarHBondContact O-CB 3.46Å; A272-E276 PolarHBondContact O-N 2.81Å; E273-E276 PolarHBondContact O-N 3.11Å; E276-K279 PolarHBondContact O-N 3.34Å; E276-N280 PolarHBondContact O-N 3.48Å; E276-N280 PolarHBondContact O-ND2 2.94Å; E276-N280 PolarHBondContact OE1-ND2 3.42Å
277	D	96.9	Very high	93.5	Very high	15 Å²	15	39.8 Å²	39.8	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-43.8	175.7	-157.5	50.5	0	0	0	111.6	Y268 E273 F274 I275 K279 N280 M281 Y409 K413	Y268-D277 HydrophobicContact CE1-CB 3.64Å; Y268-D277 WeakPolarHBondContact CE1-OD2 3.34Å; Y268-D277 PolarHBondContact OH-OD2 2.64Å; E273-D277 VanDerWaalsContact O-CB 3.31Å; E273-D277 WeakPolarHBondContact O-CB 3.43Å; E273-D277 PolarHBondContact O-N 3.27Å; F274-D277 PolarHBondContact O-N 3.17Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.33Å; D277-K279 VanDerWaalsContact C-N 3.31Å; D277-K279 PolarHBondContact O-N 3.5Å; D277-N280 PolarHBondContact O-N 3.18Å; D277-M281 WeakPolarHBondContact O-CB 3.27Å; D277-M281 PolarHBondContact O-N 3.05Å; D277-Y409 WeakPolarHBondContact OD1-CE2 3.42Å; D277-K413 WeakPolarHBondContact OD1-CD 3.26Å; D277-K413 WeakPolarHBondContact OD1-CE 3.32Å; D277-K413 IonicContact OD1-NZ 2.79Å; D277-K413 PolarHBondContact OD1-NZ 3.11Å; D277-K413 IonicContact OD2-NZ 2.74Å; D277-K413 PolarHBondContact OD2-NZ 2.82Å
278	L	98	Very high	92.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-40.5	174.1	-72.7	-174.4	0	0	0	112	L245 M249 F274 I275 N280 M281 W282 S377	L245-L278 HydrophobicContact CD2-CB 4.04Å; L245-L278 HydrophobicContact CD2-CD1 4.49Å; M249-L278 HydrophobicContact CG-CD1 3.65Å; M249-L278 HydrophobicContact SD-CD1 4.09Å; F274-L278 HydrophobicContact CD1-CD1 4.5Å; F274-L278 HydrophobicContact CD2-CD1 4.14Å; F274-L278 HydrophobicContact CD2-CG 4.04Å; F274-L278 HydrophobicContact CE1-CD1 3.93Å; F274-L278 HydrophobicContact CE2-CD1 3.53Å; F274-L278 HydrophobicContact CE2-CD2 4.04Å; F274-L278 HydrophobicContact CE2-CG 3.71Å; F274-L278 HydrophobicContact CZ-CD1 3.42Å; F274-L278 VanDerWaalsContact CZ-CD1 3.42Å; F274-L278 HydrophobicContact CZ-CG 4.15Å; F274-L278 WeakPolarHBondContact O-CG 3.46Å; F274-L278 PolarHBondContact O-N 3.43Å; I275-L278 PolarHBondContact O-N 3Å; L278-N280 PolarHBondContact O-N 2.85Å; L278-M281 HydrophobicContact CD2-SD 4.22Å; L278-M281 PolarHBondContact O-N 3.12Å; L278-W282 WeakPolarHBondContact O-CB 3.18Å; L278-W282 PolarHBondContact O-N 3.23Å; L278-S377 WeakPolarHBondContact CD2-OG 3.24Å
279	K	96.9	Very high	91	Very high	44 Å²	44	45 Å²	45	19%	0.191	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-50.7	176.5	-171.7	177.1	178.2	-177.8	0	111	E242 L245 I275 E276 D277 F283 G284	E242-K279 HydrophobicContact CG-CD 4.47Å; E242-K279 IonicContact OE1-NZ 2.65Å; E242-K279 PolarHBondContact OE1-NZ 3.08Å; L245-K279 HydrophobicContact CD1-CB 3.6Å; L245-K279 HydrophobicContact CD1-CG 4.13Å; I275-K279 WeakPolarHBondContact O-CB 3.3Å; I275-K279 PolarHBondContact O-N 2.93Å; E276-K279 PolarHBondContact O-N 3.34Å; D277-K279 VanDerWaalsContact C-N 3.31Å; D277-K279 PolarHBondContact O-N 3.5Å; K279-F283 WeakPolarHBondContact O-CA 3.01Å; K279-F283 WeakPolarHBondContact O-CB 3.24Å; K279-F283 PolarHBondContact O-N 2.98Å; K279-G284 PolarHBondContact O-N 2.91Å
280	N	95.1	Very high	89.5	Confident	51 Å²	51	43.1 Å²	43.1	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-68	-41.6	178.5	-70.1	-64.4	0	0	0	112.3	E276 D277 L278 W282 G284 Y409 Y415	E276-N280 PolarHBondContact O-N 3.48Å; E276-N280 PolarHBondContact O-ND2 2.94Å; E276-N280 PolarHBondContact OE1-ND2 3.42Å; D277-N280 PolarHBondContact O-N 3.18Å; L278-N280 PolarHBondContact O-N 2.85Å; N280-W282 PolarHBondContact O-N 3.33Å; N280-G284 VanDerWaalsContact O-CA 3.28Å; N280-G284 WeakPolarHBondContact O-CA 3.07Å; N280-G284 PolarHBondContact O-N 3.33Å; N280-Y409 HydrophobicContact CB-CD1 4.42Å; N280-Y409 HydrophobicContact CB-CD2 3.38Å; N280-Y409 HydrophobicContact CB-CE2 3.55Å; N280-Y409 HydrophobicContact CB-CG 3.86Å; N280-Y415 VanDerWaalsContact O-CD1 3.26Å; N280-Y415 WeakPolarHBondContact O-CD1 3.06Å; N280-Y415 WeakPolarHBondContact O-CE1 2.93Å
281	M	95.3	Very high	87.9	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-46.2	179.9	-178.2	-173.5	-60.7	0	0	112.4	D277 L278 Y380 I381 I416	D277-M281 WeakPolarHBondContact O-CB 3.27Å; D277-M281 PolarHBondContact O-N 3.05Å; L278-M281 HydrophobicContact CD2-SD 4.22Å; L278-M281 PolarHBondContact O-N 3.12Å; M281-Y380 HydrophobicContact CE-CD1 3.98Å; M281-Y380 HydrophobicContact CE-CE1 4.32Å; M281-Y380 HydrophobicContact CG-CD1 3.98Å; M281-Y380 HydrophobicContact CG-CE1 4.02Å; M281-Y380 HydrophobicContact SD-CD1 3.54Å; M281-Y380 VanDerWaalsContact SD-CD1 3.54Å; M281-Y380 HydrophobicContact SD-CE1 4.13Å; M281-I381 HydrophobicContact CE-CD1 4.2Å; M281-I381 HydrophobicContact CE-CG1 3.82Å; M281-I416 HydrophobicContact CG-CB 4.16Å; M281-I416 HydrophobicContact CG-CG2 4.15Å; M281-I416 WeakPolarHBondContact O-CG2 3.42Å; M281-I416 PolarHBondContact O-N 3.3Å
282	W	96.5	Very high	86.4	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-94	-40.5	-172.3	-74.6	95.2	0	0	0	113.8	L278 N280 S296 G297 F298 I301 F302 L373 Y376 S377 I416	L278-W282 WeakPolarHBondContact O-CB 3.18Å; L278-W282 PolarHBondContact O-N 3.23Å; N280-W282 PolarHBondContact O-N 3.33Å; W282-S296 WeakPolarHBondContact O-CB 3.48Å; W282-G297 PolarHBondContact O-N 3Å; W282-F298 PolarHBondContact O-N 3.06Å; W282-I301 HydrophobicContact CE3-CD1 4.32Å; W282-I301 HydrophobicContact CH2-CD1 3.78Å; W282-I301 HydrophobicContact CZ3-CB 4.19Å; W282-I301 HydrophobicContact CZ3-CD1 3.39Å; W282-I301 HydrophobicContact CZ3-CG1 4.37Å; W282-I301 HydrophobicContact CZ3-CG2 4.34Å; W282-F302 HydrophobicContact CE3-CE2 4.23Å; W282-F302 HydrophobicContact CH2-CE2 4.05Å; W282-F302 HydrophobicContact CZ3-CD2 4.02Å; W282-F302 AromaticContact CZ3-CE2 3.6Å; W282-F302 HydrophobicContact CZ3-CE2 3.6Å; W282-L373 HydrophobicContact CD2-CD1 3.66Å; W282-L373 VanDerWaalsContact CE2-CD1 3.46Å; W282-L373 HydrophobicContact CE3-CD1 4.19Å; W282-L373 HydrophobicContact CG-CD1 3.98Å; W282-L373 HydrophobicContact CH2-CD1 4.35Å; W282-L373 HydrophobicContact CZ2-CD1 3.85Å; W282-Y376 VanDerWaalsContact CH2-CB 3.49Å; W282-Y376 HydrophobicContact CH2-CD2 4Å; W282-Y376 HydrophobicContact CH2-CG 4.17Å; W282-S377 PolarHBondContact NE1-OG 3.25Å; W282-I416 HydrophobicContact CD2-CG2 4Å; W282-I416 HydrophobicContact CE3-CG2 4Å; W282-I416 HydrophobicContact CH2-CD1 3.91Å; W282-I416 HydrophobicContact CZ2-CD1 3.88Å; W282-I416 HydrophobicContact CZ3-CG2 4.28Å
283	F	94.3	Very high	85	Confident	9 Å²	9	40.7 Å²	40.7	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-107.3	-9.7	-173.4	-59.3	-71.2	0	0	0	113.8	L219 Y223 Q241 F244 L245 K279 L285 F298	L219-F283 HydrophobicContact CD1-CE1 3.95Å; L219-F283 HydrophobicContact CD1-CZ 3.87Å; Y223-F283 VanDerWaalsContact OH-CD1 3.28Å; Y223-F283 WeakPolarHBondContact OH-CD1 3.27Å; Q241-F283 HydrophobicContact CB-CD1 4.3Å; Q241-F283 HydrophobicContact CB-CD2 4.13Å; Q241-F283 HydrophobicContact CB-CE1 4.36Å; Q241-F283 HydrophobicContact CB-CE2 4.23Å; Q241-F283 HydrophobicContact CB-CG 4.16Å; Q241-F283 HydrophobicContact CB-CZ 4.33Å; Q241-F283 HydrophobicContact CG-CB 4.44Å; Q241-F283 HydrophobicContact CG-CD1 3.63Å; Q241-F283 HydrophobicContact CG-CD2 4.34Å; Q241-F283 HydrophobicContact CG-CE1 3.84Å; Q241-F283 HydrophobicContact CG-CG 3.88Å; Q241-F283 HydrophobicContact CG-CZ 4.29Å; F244-F283 HydrophobicContact CD1-CE2 4.34Å; F244-F283 AromaticContact CD1-CZ 3.79Å; F244-F283 HydrophobicContact CD1-CZ 3.79Å; F244-F283 HydrophobicContact CE1-CZ 4.31Å; L245-F283 HydrophobicContact CD1-CD2 4.25Å; L245-F283 HydrophobicContact CD1-CE2 4.06Å; L245-F283 HydrophobicContact CD2-CE2 3.96Å; L245-F283 HydrophobicContact CG-CE2 3.88Å; K279-F283 WeakPolarHBondContact O-CA 3.01Å; K279-F283 WeakPolarHBondContact O-CB 3.24Å; K279-F283 PolarHBondContact O-N 2.98Å; F283-L285 PolarHBondContact O-N 2.67Å; F283-F298 HydrophobicContact CD1-CB 3.74Å; F283-F298 HydrophobicContact CD1-CG 4.06Å; F283-F298 HydrophobicContact CE1-CB 3.52Å; F283-F298 AromaticContact CE1-CD1 3.91Å; F283-F298 HydrophobicContact CE1-CD1 3.91Å; F283-F298 AromaticContact CE1-CD2 3.63Å; F283-F298 HydrophobicContact CE1-CD2 3.63Å; F283-F298 HydrophobicContact CE1-CE2 4.34Å; F283-F298 AromaticContact CE1-CG 3.38Å; F283-F298 HydrophobicContact CE1-CG 3.38Å; F283-F298 HydrophobicContact CZ-CB 4.29Å; F283-F298 AromaticContact CZ-CD2 3.88Å; F283-F298 HydrophobicContact CZ-CD2 3.88Å; F283-F298 HydrophobicContact CZ-CE2 4.49Å; F283-F298 HydrophobicContact CZ-CG 4.1Å
284	G	91.3	Very high	83.8	Confident	13 Å²	13	37.5 Å²	37.5	13%	0.134	21%	0.205	C	C	.	.			trans	-59.6	122.8	172.6	0	0	0	0	0	110.6	K279 N280 Y286	K279-G284 PolarHBondContact O-N 2.91Å; N280-G284 VanDerWaalsContact O-CA 3.28Å; N280-G284 WeakPolarHBondContact O-CA 3.07Å; N280-G284 PolarHBondContact O-N 3.33Å; G284-Y286 WeakPolarHBondContact O-CD1 3.45Å
285	L	87.1	Confident	83.1	Confident	31 Å²	31	37.5 Å²	37.5	16%	0.162	21%	0.205	C	C	.	.			trans	-70.6	146.2	179.6	-69.2	175	0	0	0	110.4	E231 F233 F283 M293 S295	E231-L285 HydrophobicContact CB-CD1 4.43Å; E231-L285 HydrophobicContact CB-CD2 4.44Å; F233-L285 HydrophobicContact CD2-CD1 4.34Å; F233-L285 HydrophobicContact CE2-CD1 3.88Å; F233-L285 HydrophobicContact CE2-CD2 3.76Å; F233-L285 HydrophobicContact CE2-CG 3.92Å; F233-L285 HydrophobicContact CZ-CD2 4.19Å; F283-L285 PolarHBondContact O-N 2.67Å; L285-M293 VanDerWaalsContact C-CE 3.44Å; L285-M293 HydrophobicContact CB-CB 4.13Å; L285-M293 HydrophobicContact CB-CE 3.9Å; L285-M293 HydrophobicContact CD1-CB 4.47Å; L285-M293 WeakPolarHBondContact O-CE 3.39Å; L285-S295 CarbonylContact C-O 3.53Å; L285-S295 WeakPolarHBondContact CA-O 3.42Å
286	Y	82.4	Confident	82.7	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-148.8	155.8	169.2	53.3	-93.9	0	0	0	110.5	G284 R288 S295 S296 G297 W404 Y415 I416	G284-Y286 WeakPolarHBondContact O-CD1 3.45Å; Y286-R288 HydrophobicContact CD2-CG 4.04Å; Y286-R288 HydrophobicContact CE2-CG 3.8Å; Y286-R288 VanDerWaalsContact CE2-NE 3.27Å; Y286-R288 PolarHBondContact O-N 2.93Å; Y286-R288 PolarHBondContact OH-NH2 2.95Å; Y286-S295 PolarHBondContact N-O 3Å; Y286-S295 PolarHBondContact O-N 3.42Å; Y286-S296 PolarHBondContact OH-O 2.97Å; Y286-G297 PolarHBondContact OH-N 3.13Å; Y286-W404 HydrophobicContact CD1-CG 4.46Å; Y286-W404 HydrophobicContact CD2-CB 4.33Å; Y286-W404 AromaticContact CD2-CD1 3.69Å; Y286-W404 AromaticContact CD2-CD2 3.37Å; Y286-W404 HydrophobicContact CD2-CD2 3.37Å; Y286-W404 AromaticContact CD2-CE2 3.49Å; Y286-W404 VanDerWaalsContact CD2-CE2 3.49Å; Y286-W404 AromaticContact CD2-CE3 3.93Å; Y286-W404 HydrophobicContact CD2-CE3 3.93Å; Y286-W404 AromaticContact CD2-CG 3.53Å; Y286-W404 HydrophobicContact CD2-CG 3.53Å; Y286-W404 HydrophobicContact CD2-CZ2 4.15Å; Y286-W404 AromaticContact CD2-NE1 3.64Å; Y286-W404 HydrophobicContact CE2-CB 4.2Å; Y286-W404 AromaticContact CE2-CD2 3.64Å; Y286-W404 HydrophobicContact CE2-CD2 3.64Å; Y286-W404 AromaticContact CE2-CE3 3.81Å; Y286-W404 HydrophobicContact CE2-CE3 3.81Å; Y286-W404 AromaticContact CE2-CG 3.8Å; Y286-W404 HydrophobicContact CE2-CG 3.8Å; Y286-W404 HydrophobicContact CE2-CZ3 4.5Å; Y286-W404 AromaticContact CG-CD1 3.67Å; Y286-W404 HydrophobicContact CG-CD2 4.16Å; Y286-W404 AromaticContact CG-CG 3.89Å; Y286-W404 HydrophobicContact CG-CG 3.89Å; Y286-W404 AromaticContact CG-NE1 3.8Å; Y286-Y415 HydrophobicContact CD1-CD1 4.09Å; Y286-Y415 HydrophobicContact CD1-CD2 4.1Å; Y286-Y415 AromaticContact CD1-CG 3.72Å; Y286-Y415 HydrophobicContact CD1-CG 3.72Å; Y286-Y415 HydrophobicContact CE1-CG 4.25Å; Y286-I416 PolarHBondContact OH-O 2.85Å; Y286-I416 VanDerWaalsContact OH-O 3.13Å
287	S	77.4	Confident	82.6	Confident	31 Å²	31	31.3 Å²	31.3	22%	0.217	18%	0.175	C	C	.	.			trans	-87.8	110.1	-173.6	156.3	0	0	0	0	113	G291 A292 W404	S287-G291 VanDerWaalsContact OG-C 3.25Å; S287-G291 WeakPolarHBondContact OG-CA 3.47Å; S287-G291 PolarHBondContact OG-N 3.45Å; S287-G291 VanDerWaalsContact OG-N 3.07Å; S287-A292 WeakPolarHBondContact CA-O 3.11Å; S287-A292 WeakPolarHBondContact CB-O 3.28Å; S287-A292 PolarHBondContact OG-N 3.07Å; S287-A292 PolarHBondContact OG-O 2.75Å; S287-W404 VanDerWaalsContact O-CH2 3.27Å; S287-W404 WeakPolarHBondContact O-CH2 3.24Å; S287-W404 WeakPolarHBondContact O-CZ2 3.49Å
288	R	69.6	Low	82.5	Confident	30 Å²	30	30.6 Å²	30.6	11%	0.113	17%	0.171	C	C	.	.	S	Bend	trans	-87.7	-19.9	175.5	-75.7	-172.1	-179.2	-110.8	-20.3	114.5	Y286 D294 S295 H300 E305 K307 W404 G417	Y286-R288 HydrophobicContact CD2-CG 4.04Å; Y286-R288 HydrophobicContact CE2-CG 3.8Å; Y286-R288 VanDerWaalsContact CE2-NE 3.27Å; Y286-R288 PolarHBondContact O-N 2.93Å; Y286-R288 PolarHBondContact OH-NH2 2.95Å; R288-D294 PolarHBondContact N-OD1 3.43Å; R288-S295 WeakPolarHBondContact CD-OG 3.45Å; R288-S295 PolarHBondContact NE-OG 3.48Å; R288-H300 PolarHBondContact NH1-CE1 3.27Å; R288-H300 VanDerWaalsContact NH1-CE1 3.32Å; R288-H300 PolarHBondContact NH1-ND1 2.82Å; R288-H300 VanDerWaalsContact NH1-ND1 3.16Å; R288-E305 WeakPolarHBondContact CD-OE1 3.37Å; R288-E305 IonicContact CZ-OE1 3.86Å; R288-E305 IonicContact NE-OE1 2.84Å; R288-E305 PolarHBondContact NE-OE1 3.45Å; R288-E305 IonicContact NE-OE2 3.72Å; R288-E305 IonicContact NH1-OE1 3.18Å; R288-E305 PolarHBondContact NH1-OE1 3.34Å; R288-K307 PolarHBondContact O-NZ 3.48Å; R288-W404 HydrophobicContact CB-CH2 4.44Å; R288-W404 HydrophobicContact CG-CE3 4.45Å; R288-W404 HydrophobicContact CG-CH2 4.04Å; R288-W404 HydrophobicContact CG-CZ3 3.88Å; R288-G417 PolarHBondContact NH2-O 3.13Å
289	Y	64	Low	82.2	Confident	125 Å²	125	30.7 Å²	30.7	49%	0.49	17%	0.171	S	C	.	.	S	Bend	trans	-150.8	137.1	-177.4	-173.5	-111.5	0	0	0	111.2	G291 A292	Y289-G291 PolarHBondContact O-N 3.44Å; Y289-A292 PolarHBondContact O-N 3.19Å
290	N	58.6	Low	81.9	Confident	135 Å²	135	29 Å²	29	72%	0.722	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	19.7	174	-72.4	-6.4	0	0	0	117.9	A292	N290-A292 VanDerWaalsContact C-N 3.25Å; N290-A292 PolarHBondContact O-N 3.12Å
291	G	62.8	Low	82	Confident	61 Å²	61	26.6 Å²	26.6	63%	0.629	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	1.5	177.9	0	0	0	0	0	114.5	S287 Y289	S287-G291 VanDerWaalsContact OG-C 3.25Å; S287-G291 WeakPolarHBondContact OG-CA 3.47Å; S287-G291 PolarHBondContact OG-N 3.45Å; S287-G291 VanDerWaalsContact OG-N 3.07Å; Y289-G291 PolarHBondContact O-N 3.44Å
292	A	61.5	Low	82	Confident	20 Å²	20	26.4 Å²	26.4	17%	0.165	15%	0.151	C	C	.	.			trans	-78.1	130.6	177.2	0	0	0	0	0	109.9	S287 Y289 N290 D294	S287-A292 WeakPolarHBondContact CA-O 3.11Å; S287-A292 WeakPolarHBondContact CB-O 3.28Å; S287-A292 PolarHBondContact OG-N 3.07Å; S287-A292 PolarHBondContact OG-O 2.75Å; Y289-A292 PolarHBondContact O-N 3.19Å; N290-A292 VanDerWaalsContact C-N 3.25Å; N290-A292 PolarHBondContact O-N 3.12Å; A292-D294 VanDerWaalsContact C-N 3.28Å; A292-D294 HydrophobicContact CB-CB 4.08Å; A292-D294 VanDerWaalsContact O-CG 3.31Å; A292-D294 PolarHBondContact O-N 3.24Å
293	M	68.3	Low	81.7	Confident	87 Å²	87	26.6 Å²	26.6	43%	0.429	15%	0.152	S	C	.	.			trans	-74.1	85.2	173.4	-65.4	-67.5	-80.6	0	0	108.9	E231 L285	E231-M293 PolarHBondContact N-O 3.14Å; L285-M293 VanDerWaalsContact C-CE 3.44Å; L285-M293 HydrophobicContact CB-CB 4.13Å; L285-M293 HydrophobicContact CB-CE 3.9Å; L285-M293 HydrophobicContact CD1-CB 4.47Å; L285-M293 WeakPolarHBondContact O-CE 3.39Å
294	D	72.3	Confident	81.5	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.011	15%	0.151	C	C	.	.			trans	-130.2	7.1	-158.3	71.9	-26.4	0	0	0	114	G228 Q229 R288 A292	G228-D294 WeakPolarHBondContact CA-OD2 3.38Å; G228-D294 PolarHBondContact N-OD2 2.8Å; Q229-D294 VanDerWaalsContact O-CB 3.3Å; Q229-D294 WeakPolarHBondContact O-CB 3.33Å; R288-D294 PolarHBondContact N-OD1 3.43Å; A292-D294 VanDerWaalsContact C-N 3.28Å; A292-D294 HydrophobicContact CB-CB 4.08Å; A292-D294 VanDerWaalsContact O-CG 3.31Å; A292-D294 PolarHBondContact O-N 3.24Å
295	S	81.8	Confident	81.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-150.1	149.9	-177.3	-169.6	0	0	0	0	111.6	L285 Y286 R288 E299 E305	L285-S295 CarbonylContact C-O 3.53Å; L285-S295 WeakPolarHBondContact CA-O 3.42Å; Y286-S295 PolarHBondContact N-O 3Å; Y286-S295 PolarHBondContact O-N 3.42Å; R288-S295 WeakPolarHBondContact CD-OG 3.45Å; R288-S295 PolarHBondContact NE-OG 3.48Å; S295-E299 WeakPolarHBondContact CA-OE2 3.41Å; S295-E305 PolarHBondContact OG-OE2 3.38Å
296	S	91.1	Very high	81.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.			trans	-134	166	171.6	65.5	0	0	0	0	111	W282 Y286 F298 E299 H300	W282-S296 WeakPolarHBondContact O-CB 3.48Å; Y286-S296 PolarHBondContact OH-O 2.97Å; S296-F298 VanDerWaalsContact C-N 3.3Å; S296-F298 PolarHBondContact O-N 3.1Å; S296-E299 PolarHBondContact O-N 2.93Å; S296-E299 WeakPolarHBondContact OG-CB 3.47Å; S296-E299 PolarHBondContact OG-N 3.48Å; S296-E299 VanDerWaalsContact OG-N 3.13Å; S296-H300 WeakPolarHBondContact O-CB 3.29Å; S296-H300 PolarHBondContact O-N 3.24Å
297	G	93.4	Very high	81	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-42.4	174.6	0	0	0	0	0	112	W282 Y286 I301 I416	W282-G297 PolarHBondContact O-N 3Å; Y286-G297 PolarHBondContact OH-N 3.13Å; G297-I301 WeakPolarHBondContact O-CB 3.4Å; G297-I301 WeakPolarHBondContact O-CD1 3.35Å; G297-I301 VanDerWaalsContact O-CG1 3.29Å; G297-I301 WeakPolarHBondContact O-CG1 3.28Å; G297-I301 PolarHBondContact O-N 2.04Å; G297-I416 VanDerWaalsContact CA-O 3.25Å; G297-I416 WeakPolarHBondContact CA-O 3.27Å
298	F	95.1	Very high	81.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-50.7	176	178.8	-90.6	0	0	0	111.5	L216 L219 F220 Y223 F244 W282 F283 S296 H300 I301 F302 A303	L216-F298 HydrophobicContact CD1-CE2 3.62Å; L216-F298 HydrophobicContact CD1-CZ 3.65Å; L219-F298 HydrophobicContact CB-CE1 3.74Å; L219-F298 HydrophobicContact CB-CE2 4.43Å; L219-F298 HydrophobicContact CB-CZ 3.51Å; L219-F298 HydrophobicContact CD1-CD2 4.27Å; L219-F298 HydrophobicContact CD1-CE1 4.13Å; L219-F298 HydrophobicContact CD1-CE2 3.58Å; L219-F298 HydrophobicContact CD1-CZ 3.51Å; L219-F298 HydrophobicContact CG-CZ 4.17Å; F220-F298 HydrophobicContact CD1-CZ 4.41Å; F220-F298 HydrophobicContact CE1-CZ 4.19Å; Y223-F298 HydrophobicContact CD2-CD1 4.13Å; Y223-F298 AromaticContact CD2-CE1 3.92Å; Y223-F298 HydrophobicContact CD2-CE1 3.92Å; Y223-F298 HydrophobicContact CE1-CD1 4.32Å; Y223-F298 AromaticContact CE2-CD1 3.47Å; Y223-F298 HydrophobicContact CE2-CD1 3.47Å; Y223-F298 VanDerWaalsContact CE2-CD1 3.47Å; Y223-F298 AromaticContact CE2-CE1 3.42Å; Y223-F298 HydrophobicContact CE2-CE1 3.42Å; Y223-F298 VanDerWaalsContact CE2-CE1 3.42Å; Y223-F298 AromaticContact CZ-CD1 3.59Å; F244-F298 HydrophobicContact CE1-CD2 4.4Å; F244-F298 HydrophobicContact CE1-CE2 4.12Å; F244-F298 HydrophobicContact CZ-CE2 4.37Å; W282-F298 PolarHBondContact O-N 3.06Å; F283-F298 HydrophobicContact CD1-CB 3.74Å; F283-F298 HydrophobicContact CD1-CG 4.06Å; F283-F298 HydrophobicContact CE1-CB 3.52Å; F283-F298 AromaticContact CE1-CD1 3.91Å; F283-F298 HydrophobicContact CE1-CD1 3.91Å; F283-F298 AromaticContact CE1-CD2 3.63Å; F283-F298 HydrophobicContact CE1-CD2 3.63Å; F283-F298 HydrophobicContact CE1-CE2 4.34Å; F283-F298 AromaticContact CE1-CG 3.38Å; F283-F298 HydrophobicContact CE1-CG 3.38Å; F283-F298 HydrophobicContact CZ-CB 4.29Å; F283-F298 AromaticContact CZ-CD2 3.88Å; F283-F298 HydrophobicContact CZ-CD2 3.88Å; F283-F298 HydrophobicContact CZ-CE2 4.49Å; F283-F298 HydrophobicContact CZ-CG 4.1Å; S296-F298 VanDerWaalsContact C-N 3.3Å; S296-F298 PolarHBondContact O-N 3.1Å; F298-H300 PolarHBondContact O-N 2.99Å; F298-I301 PolarHBondContact O-N 3.06Å; F298-F302 HydrophobicContact CD2-CB 4.05Å; F298-F302 AromaticContact CD2-CD2 3.8Å; F298-F302 HydrophobicContact CD2-CD2 3.8Å; F298-F302 HydrophobicContact CD2-CE2 4.47Å; F298-F302 HydrophobicContact CD2-CG 4.02Å; F298-F302 HydrophobicContact CE1-CB 4.32Å; F298-F302 HydrophobicContact CE2-CB 3.76Å; F298-F302 HydrophobicContact CE2-CD1 4.33Å; F298-F302 HydrophobicContact CE2-CD2 4.06Å; F298-F302 AromaticContact CE2-CG 3.81Å; F298-F302 HydrophobicContact CE2-CG 3.81Å; F298-F302 HydrophobicContact CG-CB 4.45Å; F298-F302 HydrophobicContact CZ-CB 3.9Å; F298-F302 HydrophobicContact CZ-CG 4.42Å; F298-F302 WeakPolarHBondContact O-CA 2.99Å; F298-F302 WeakPolarHBondContact O-CB 3.41Å; F298-F302 PolarHBondContact O-N 3.29Å; F298-A303 PolarHBondContact O-N 2.72Å
299	E	91	Very high	81.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	19%	0.194	C	C	.	.	I	π-helix	trans	-58.3	-49.8	180	-175.6	-171.5	165.3	0	0	111.1	Y223 S295 S296 I301 A303 G304	Y223-E299 HydrophobicContact CD1-CB 3.81Å; Y223-E299 HydrophobicContact CD1-CG 3.95Å; Y223-E299 HydrophobicContact CE1-CB 4.19Å; Y223-E299 HydrophobicContact CG-CB 4.4Å; Y223-E299 HydrophobicContact CG-CG 4.29Å; S295-E299 WeakPolarHBondContact CA-OE2 3.41Å; S296-E299 PolarHBondContact O-N 2.93Å; S296-E299 WeakPolarHBondContact OG-CB 3.47Å; S296-E299 PolarHBondContact OG-N 3.48Å; S296-E299 VanDerWaalsContact OG-N 3.13Å; E299-I301 PolarHBondContact O-N 3.41Å; E299-A303 HydrophobicContact CG-CB 4.33Å; E299-A303 CarbonylContact O-C 3.47Å; E299-A303 WeakPolarHBondContact O-CB 3.35Å; E299-A303 PolarHBondContact O-N 2.69Å; E299-A303 VanDerWaalsContact O-N 3.15Å; E299-G304 PolarHBondContact O-N 2.85Å
300	H	92.3	Very high	82.7	Confident	8 Å²	8	31.6 Å²	31.6	4%	0.037	20%	0.201	C	C	.	.	I	π-helix	trans	-60	-47.5	-179.2	-175.2	82.1	0	0	0	111.9	R288 S296 F298 E305 S312 G313 F314 G417 S418	R288-H300 PolarHBondContact NH1-CE1 3.27Å; R288-H300 VanDerWaalsContact NH1-CE1 3.32Å; R288-H300 PolarHBondContact NH1-ND1 2.82Å; R288-H300 VanDerWaalsContact NH1-ND1 3.16Å; S296-H300 WeakPolarHBondContact O-CB 3.29Å; S296-H300 PolarHBondContact O-N 3.24Å; F298-H300 PolarHBondContact O-N 2.99Å; H300-E305 IonicContact CE1-OE1 3.34Å; H300-E305 IonicContact CG-OE1 3.29Å; H300-E305 IonicContact ND1-OE1 2.71Å; H300-E305 PolarHBondContact ND1-OE1 3.15Å; H300-S312 PolarHBondContact CE1-OG 3.43Å; H300-G313 PolarHBondContact CE1-N 3.41Å; H300-G313 VanDerWaalsContact CE1-N 3.3Å; H300-G313 WeakPolarHBondContact NE2-CA 3.36Å; H300-G313 CarbonylContact O-C 3.59Å; H300-G313 WeakPolarHBondContact O-CA 3.4Å; H300-F314 PolarHBondContact O-N 3.03Å; H300-G417 PolarHBondContact CD2-O 3.03Å; H300-S418 PolarHBondContact CD2-OG 2.86Å; H300-S418 VanDerWaalsContact CD2-OG 3.27Å; H300-S418 WeakPolarHBondContact NE2-CB 3.45Å; H300-S418 PolarHBondContact NE2-OG 3.13Å
301	I	95.2	Very high	84.1	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	17%	0.17	C	C	.	.	I	π-helix	trans	-83.5	-49.2	-170.4	-63.1	161.4	0	0	0	111.6	W282 G297 F298 E299 H315 Y376 I416 A419	W282-I301 HydrophobicContact CE3-CD1 4.32Å; W282-I301 HydrophobicContact CH2-CD1 3.78Å; W282-I301 HydrophobicContact CZ3-CB 4.19Å; W282-I301 HydrophobicContact CZ3-CD1 3.39Å; W282-I301 HydrophobicContact CZ3-CG1 4.37Å; W282-I301 HydrophobicContact CZ3-CG2 4.34Å; G297-I301 WeakPolarHBondContact O-CB 3.4Å; G297-I301 WeakPolarHBondContact O-CD1 3.35Å; G297-I301 VanDerWaalsContact O-CG1 3.29Å; G297-I301 WeakPolarHBondContact O-CG1 3.28Å; G297-I301 PolarHBondContact O-N 2.04Å; F298-I301 PolarHBondContact O-N 3.06Å; E299-I301 PolarHBondContact O-N 3.41Å; I301-H315 PolarHBondContact O-N 2.64Å; I301-Y376 HydrophobicContact CG2-CD2 4.14Å; I301-Y376 HydrophobicContact CG2-CE2 4.1Å; I301-I416 HydrophobicContact CD1-CD1 4.03Å; I301-I416 HydrophobicContact CD1-CG1 4.19Å; I301-I416 HydrophobicContact CD1-CG2 4.28Å; I301-A419 HydrophobicContact CD1-CB 3.71Å; I301-A419 VanDerWaalsContact CD1-N 3.35Å; I301-A419 HydrophobicContact CG1-CB 4.36Å
302	F	95.4	Very high	85.2	Confident	1 Å²	1	24.5 Å²	24.5	0%	0.004	15%	0.152	C	C	.	.	I	π-helix	trans	-91.4	-50.5	-173.6	-74.1	-96.8	0	0	0	113	L216 F220 W282 F298 N316 R319 D372 L373 Y376	L216-F302 HydrophobicContact CD1-CD1 3.97Å; L216-F302 HydrophobicContact CD1-CE1 4.48Å; F220-F302 HydrophobicContact CE1-CB 4.02Å; W282-F302 HydrophobicContact CE3-CE2 4.23Å; W282-F302 HydrophobicContact CH2-CE2 4.05Å; W282-F302 HydrophobicContact CZ3-CD2 4.02Å; W282-F302 AromaticContact CZ3-CE2 3.6Å; W282-F302 HydrophobicContact CZ3-CE2 3.6Å; F298-F302 HydrophobicContact CD2-CB 4.05Å; F298-F302 AromaticContact CD2-CD2 3.8Å; F298-F302 HydrophobicContact CD2-CD2 3.8Å; F298-F302 HydrophobicContact CD2-CE2 4.47Å; F298-F302 HydrophobicContact CD2-CG 4.02Å; F298-F302 HydrophobicContact CE1-CB 4.32Å; F298-F302 HydrophobicContact CE2-CB 3.76Å; F298-F302 HydrophobicContact CE2-CD1 4.33Å; F298-F302 HydrophobicContact CE2-CD2 4.06Å; F298-F302 AromaticContact CE2-CG 3.81Å; F298-F302 HydrophobicContact CE2-CG 3.81Å; F298-F302 HydrophobicContact CG-CB 4.45Å; F298-F302 HydrophobicContact CZ-CB 3.9Å; F298-F302 HydrophobicContact CZ-CG 4.42Å; F298-F302 WeakPolarHBondContact O-CA 2.99Å; F298-F302 WeakPolarHBondContact O-CB 3.41Å; F298-F302 PolarHBondContact O-N 3.29Å; F302-N316 HydrophobicContact CB-CB 4.35Å; F302-N316 HydrophobicContact CD1-CB 3.88Å; F302-N316 HydrophobicContact CG-CB 4.39Å; F302-R319 WeakPolarHBondContact O-CB 3.35Å; F302-D372 HydrophobicContact CE1-CB 3.82Å; F302-D372 HydrophobicContact CZ-CB 3.74Å; F302-L373 HydrophobicContact CE2-CD1 4.49Å; F302-L373 HydrophobicContact CZ-CB 4.38Å; F302-Y376 HydrophobicContact CE2-CD2 4.48Å; F302-Y376 HydrophobicContact CZ-CD2 4.5Å
303	A	92	Very high	86.6	Confident	3 Å²	3	23.8 Å²	23.8	3%	0.025	15%	0.146	C	C	.	.	I	π-helix	trans	-78.5	-34.1	-174.1	0	0	0	0	0	112.9	F220 F298 E299 R319	F220-A303 HydrophobicContact CD1-CB 4.3Å; F298-A303 PolarHBondContact O-N 2.72Å; E299-A303 HydrophobicContact CG-CB 4.33Å; E299-A303 CarbonylContact O-C 3.47Å; E299-A303 WeakPolarHBondContact O-CB 3.35Å; E299-A303 PolarHBondContact O-N 2.69Å; E299-A303 VanDerWaalsContact O-N 3.15Å; A303-R319 PolarHBondContact O-NE 2.73Å
304	G	89.1	Confident	87.8	Confident	2 Å²	2	19.9 Å²	19.9	2%	0.021	13%	0.127	C	C	.	.			trans	80.6	143	-170.7	0	0	0	0	0	112.5	E299 W353	E299-G304 PolarHBondContact O-N 2.85Å; G304-W353 WeakPolarHBondContact O-CH2 3.02Å
305	E	87.3	Confident	88.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.5	178.3	70.2	-178.2	-179.2	0	0	111.2	T227 R288 S295 H300 S312	T227-E305 HydrophobicContact CG2-CB 3.88Å; T227-E305 HydrophobicContact CG2-CG 4.07Å; T227-E305 VanDerWaalsContact CG2-OE2 3.31Å; T227-E305 WeakPolarHBondContact CG2-OE2 2.93Å; R288-E305 WeakPolarHBondContact CD-OE1 3.37Å; R288-E305 IonicContact CZ-OE1 3.86Å; R288-E305 IonicContact NE-OE1 2.84Å; R288-E305 PolarHBondContact NE-OE1 3.45Å; R288-E305 IonicContact NE-OE2 3.72Å; R288-E305 IonicContact NH1-OE1 3.18Å; R288-E305 PolarHBondContact NH1-OE1 3.34Å; S295-E305 PolarHBondContact OG-OE2 3.38Å; H300-E305 IonicContact CE1-OE1 3.34Å; H300-E305 IonicContact CG-OE1 3.29Å; H300-E305 IonicContact ND1-OE1 2.71Å; H300-E305 PolarHBondContact ND1-OE1 3.15Å; E305-S312 PolarHBondContact N-O 2.78Å; E305-S312 PolarHBondContact O-N 2.97Å
306	I	84.3	Confident	89.7	Confident	10 Å²	10	20.5 Å²	20.5	5%	0.051	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.7	171.4	-64.3	159.7	0	0	0	108.5	R225 T227 K310 W353 D354 Y356	R225-I306 PolarHBondContact O-N 2.8Å; T227-I306 PolarHBondContact OG1-O 3.33Å; I306-K310 WeakPolarHBondContact CA-O 3.44Å; I306-W353 HydrophobicContact CD1-CE3 4.45Å; I306-W353 HydrophobicContact CD1-CZ3 4.4Å; I306-W353 HydrophobicContact CG1-CE3 4.24Å; I306-W353 HydrophobicContact CG1-CZ3 4Å; I306-D354 HydrophobicContact CD1-CB 3.94Å; I306-Y356 HydrophobicContact CD1-CD2 3.67Å; I306-Y356 HydrophobicContact CD1-CE2 3.92Å; I306-Y356 HydrophobicContact CG1-CD2 4.03Å; I306-Y356 HydrophobicContact CG1-CE2 4.45Å; I306-Y356 HydrophobicContact CG2-CD2 3.71Å; I306-Y356 HydrophobicContact CG2-CE2 3.59Å; I306-Y356 HydrophobicContact CG2-CG 4.32Å
307	K	79.6	Confident	90	Very high	72 Å²	72	20.5 Å²	20.5	31%	0.313	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.7	179	-175	175.3	-175.8	169.2	0	110.5	R288 G309 K310	R288-K307 PolarHBondContact O-NZ 3.48Å; K307-G309 PolarHBondContact O-N 3.46Å; K307-K310 PolarHBondContact N-O 3.06Å; K307-K310 PolarHBondContact O-N 2.83Å; K307-K310 VanDerWaalsContact O-N 3.08Å
308	G	78.6	Confident	90.2	Very high	79 Å²	79	20.6 Å²	20.6	81%	0.814	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	35.7	177.3	0	0	0	0	0	113.5
309	G	82.6	Confident	90.3	Very high	34 Å²	34	21.8 Å²	21.8	35%	0.351	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	29.9	-177.2	0	0	0	0	0	114.3	K307 Y356	K307-G309 PolarHBondContact O-N 3.46Å; G309-Y356 WeakPolarHBondContact O-CD1 3.45Å; G309-Y356 WeakPolarHBondContact O-CE1 3.42Å
310	K	85.3	Confident	90.6	Very high	148 Å²	148	22 Å²	22	64%	0.643	14%	0.135	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.8	173.5	-63	-177.1	-178.3	179.4	0	109.8	I306 K307 S312	I306-K310 WeakPolarHBondContact CA-O 3.44Å; K307-K310 PolarHBondContact N-O 3.06Å; K307-K310 PolarHBondContact O-N 2.83Å; K307-K310 VanDerWaalsContact O-N 3.08Å; K310-S312 PolarHBondContact O-N 3.2Å
311	V	88.2	Confident	90.9	Very high	12 Å²	12	22.5 Å²	22.5	7%	0.073	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	113.8	170.4	-176.4	0	0	0	0	109.1	F314 F351 W353 K358	V311-F314 HydrophobicContact CG1-CB 4.03Å; V311-F314 HydrophobicContact CG1-CD1 4.17Å; V311-F351 HydrophobicContact CG1-CE2 4.33Å; V311-W353 HydrophobicContact CB-CE3 4.47Å; V311-W353 HydrophobicContact CG1-CE3 3.8Å; V311-W353 HydrophobicContact CG1-CZ3 4.17Å; V311-W353 HydrophobicContact CG2-CB 4.35Å; V311-W353 HydrophobicContact CG2-CE3 3.96Å; V311-K358 HydrophobicContact CB-CB 4Å; V311-K358 HydrophobicContact CB-CD 4.36Å; V311-K358 HydrophobicContact CB-CG 4.18Å; V311-K358 HydrophobicContact CG1-CB 4.35Å; V311-K358 HydrophobicContact CG1-CD 3.95Å; V311-K358 HydrophobicContact CG1-CG 4.33Å; V311-K358 HydrophobicContact CG2-CB 4.37Å; V311-K358 PolarHBondContact O-NZ 2.9Å
312	S	85.3	Confident	91	Very high	35 Å²	35	23.8 Å²	23.8	25%	0.245	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.4	176.5	-147.1	0	0	0	0	109.6	H300 E305 K310	H300-S312 PolarHBondContact CE1-OG 3.43Å; E305-S312 PolarHBondContact N-O 2.78Å; E305-S312 PolarHBondContact O-N 2.97Å; K310-S312 PolarHBondContact O-N 3.2Å
313	G	90.1	Very high	91	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	14%	0.144	C	C	.	.			trans	65	-133.5	-173.3	0	0	0	0	0	112.2	H300 H315 K358	H300-G313 PolarHBondContact CE1-N 3.41Å; H300-G313 VanDerWaalsContact CE1-N 3.3Å; H300-G313 WeakPolarHBondContact NE2-CA 3.36Å; H300-G313 CarbonylContact O-C 3.59Å; H300-G313 WeakPolarHBondContact O-CA 3.4Å; G313-H315 VanDerWaalsContact C-CD2 3.43Å; G313-H315 PolarHBondContact O-NE2 3Å; G313-K358 VanDerWaalsContact O-CE 3.24Å; G313-K358 WeakPolarHBondContact O-CE 3.46Å; G313-K358 PolarHBondContact O-NZ 3.37Å
314	F	94.4	Very high	91.3	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.022	15%	0.147	C	C	.	.			trans	63	80.5	-177.2	-161.5	154.2	0	0	0	112.3	H300 V311 R319 F320 L323 L329 F351 W353	H300-F314 PolarHBondContact O-N 3.03Å; V311-F314 HydrophobicContact CG1-CB 4.03Å; V311-F314 HydrophobicContact CG1-CD1 4.17Å; F314-R319 HydrophobicContact CE2-CB 4.27Å; F314-R319 HydrophobicContact CE2-CG 3.99Å; F314-R319 HydrophobicContact CZ-CG 4.1Å; F314-F320 HydrophobicContact CE2-CB 3.93Å; F314-F320 HydrophobicContact CE2-CD2 4.25Å; F314-F320 HydrophobicContact CE2-CG 4.45Å; F314-F320 HydrophobicContact CZ-CB 4.45Å; F314-L323 HydrophobicContact CE1-CD1 3.51Å; F314-L323 HydrophobicContact CZ-CD1 3.36Å; F314-L329 HydrophobicContact CE1-CD1 3.86Å; F314-L329 HydrophobicContact CE2-CD1 4.34Å; F314-L329 HydrophobicContact CZ-CD1 3.45Å; F314-L329 VanDerWaalsContact CZ-CD1 3.45Å; F314-F351 HydrophobicContact CB-CZ 4.45Å; F314-F351 HydrophobicContact CD1-CE2 4.06Å; F314-F351 HydrophobicContact CD1-CZ 4.25Å; F314-F351 HydrophobicContact CD2-CZ 4.3Å; F314-F351 HydrophobicContact CE1-CE2 4.1Å; F314-F351 HydrophobicContact CG-CE2 4.37Å; F314-F351 HydrophobicContact CG-CZ 4.1Å; F314-F351 HydrophobicContact CZ-CE2 4.44Å; F314-W353 AromaticContact CD1-CD2 3.91Å; F314-W353 HydrophobicContact CD1-CD2 3.91Å; F314-W353 AromaticContact CD1-CE3 3.46Å; F314-W353 HydrophobicContact CD1-CE3 3.46Å; F314-W353 VanDerWaalsContact CD1-CE3 3.46Å; F314-W353 HydrophobicContact CD1-CH2 4.14Å; F314-W353 AromaticContact CD1-CZ3 3.59Å; F314-W353 HydrophobicContact CD1-CZ3 3.59Å; F314-W353 AromaticContact CE1-CD2 3.59Å; F314-W353 HydrophobicContact CE1-CD2 3.59Å; F314-W353 AromaticContact CE1-CE2 3.91Å; F314-W353 AromaticContact CE1-CE3 3.67Å; F314-W353 HydrophobicContact CE1-CE3 3.67Å; F314-W353 AromaticContact CE1-CG 3.98Å; F314-W353 HydrophobicContact CE1-CG 3.98Å; F314-W353 HydrophobicContact CE1-CH2 4.34Å; F314-W353 HydrophobicContact CE1-CZ2 4.29Å; F314-W353 HydrophobicContact CE1-CZ3 4.06Å
315	H	95.6	Very high	91.7	Very high	13 Å²	13	30.2 Å²	30.2	6%	0.06	17%	0.171	C	C	.	.			trans	-125.4	5.5	-175.3	-63.5	-74.6	0	0	0	114	I301 G313 S362 A363 Y420	I301-H315 PolarHBondContact O-N 2.64Å; G313-H315 VanDerWaalsContact C-CD2 3.43Å; G313-H315 PolarHBondContact O-NE2 3Å; H315-S362 WeakPolarHBondContact CB-O 3.38Å; H315-S362 PolarHBondContact ND1-O 3.26Å; H315-A363 WeakPolarHBondContact O-CA 3.29Å; H315-A363 WeakPolarHBondContact O-CB 3.35Å; H315-Y420 AromaticContact CE1-CG 3.85Å; H315-Y420 WeakPolarHBondContact ND1-CB 3.4Å; H315-Y420 AromaticContact NE2-CD1 3.87Å
316	N	97.4	Very high	92.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-98.3	129.5	-178.8	179.6	-97.4	0	0	0	112.9	F302 I318 R319 F320 D372	F302-N316 HydrophobicContact CB-CB 4.35Å; F302-N316 HydrophobicContact CD1-CB 3.88Å; F302-N316 HydrophobicContact CG-CB 4.39Å; N316-I318 WeakPolarHBondContact OD1-CB 3.44Å; N316-I318 PolarHBondContact OD1-N 3.33Å; N316-I318 VanDerWaalsContact OD1-N 3.13Å; N316-R319 HydrophobicContact CB-CB 4.37Å; N316-R319 PolarHBondContact O-N 3.42Å; N316-R319 PolarHBondContact OD1-N 2.73Å; N316-F320 PolarHBondContact O-N 2.79Å; N316-F320 VanDerWaalsContact O-N 3.11Å; N316-D372 PolarHBondContact ND2-OD2 2.93Å
317	W	98	Very high	92.6	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-33.7	-175.1	79.5	-96.2	0	0	0	113.2	L174 Y199 V202 L207 Y213 F320 Y321 I365 C367	L174-W317 HydrophobicContact CD1-CZ3 4.07Å; L174-W317 HydrophobicContact CD2-CE3 4.46Å; L174-W317 HydrophobicContact CD2-CH2 4.24Å; L174-W317 HydrophobicContact CD2-CZ3 4.16Å; Y199-W317 HydrophobicContact CD1-CE3 4.48Å; Y199-W317 AromaticContact CE1-CE3 3.65Å; Y199-W317 HydrophobicContact CE1-CE3 3.65Å; Y199-W317 HydrophobicContact CE1-CZ3 4.22Å; Y199-W317 WeakPolarHBondContact OH-CA 3.45Å; Y199-W317 WeakPolarHBondContact OH-CB 3.29Å; Y199-W317 PolarHBondContact OH-O 3.11Å; V202-W317 HydrophobicContact CG1-CZ3 4.44Å; L207-W317 HydrophobicContact CD1-CH2 4.26Å; Y213-W317 HydrophobicContact CE1-CH2 4.36Å; Y213-W317 AromaticContact CE1-CZ2 3.87Å; Y213-W317 HydrophobicContact CE1-CZ2 3.87Å; W317-F320 WeakPolarHBondContact O-CB 3.46Å; W317-F320 PolarHBondContact O-N 2.79Å; W317-Y321 WeakPolarHBondContact O-CB 3.39Å; W317-Y321 PolarHBondContact O-N 3.32Å; W317-I365 HydrophobicContact CB-CD1 3.63Å; W317-I365 HydrophobicContact CB-CG2 4.35Å; W317-C367 PolarHBondContact NE1-O 2.96Å
318	I	98	Very high	93.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-46	179.6	-57.7	163.5	0	0	0	109	F208 Y213 L216 L217 F220 N316 F320 Y321 L322 P369	F208-I318 HydrophobicContact CE1-CG2 4.13Å; F208-I318 HydrophobicContact CZ-CG2 4.35Å; Y213-I318 HydrophobicContact CD1-CD1 3.63Å; Y213-I318 HydrophobicContact CD1-CG1 4.41Å; Y213-I318 HydrophobicContact CE1-CD1 3.49Å; Y213-I318 VanDerWaalsContact CE1-CD1 3.49Å; Y213-I318 HydrophobicContact CE1-CG1 4.13Å; L216-I318 HydrophobicContact CD2-CB 4.38Å; L216-I318 HydrophobicContact CD2-CD1 3.58Å; L217-I318 HydrophobicContact CD2-CG2 4.06Å; F220-I318 HydrophobicContact CE2-CB 4.49Å; F220-I318 HydrophobicContact CE2-CG2 4.25Å; N316-I318 WeakPolarHBondContact OD1-CB 3.44Å; N316-I318 PolarHBondContact OD1-N 3.33Å; N316-I318 VanDerWaalsContact OD1-N 3.13Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.29Å; I318-Y321 PolarHBondContact O-N 3.16Å; I318-L322 HydrophobicContact CG2-CD1 4.13Å; I318-L322 VanDerWaalsContact O-CG 3.28Å; I318-L322 WeakPolarHBondContact O-CG 3.21Å; I318-L322 PolarHBondContact O-N 2.91Å; I318-P369 HydrophobicContact CD1-CG 3.93Å
319	R	96.6	Very high	94.1	Very high	25 Å²	25	36.5 Å²	36.5	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-43.7	174.6	-176	53.5	172.3	-172.4	-3.5	112	F220 F302 A303 F314 N316 L322 L323	F220-R319 HydrophobicContact CE1-CB 4.02Å; F220-R319 HydrophobicContact CE1-CG 4.31Å; F220-R319 HydrophobicContact CE2-CB 4.02Å; F220-R319 HydrophobicContact CZ-CB 3.66Å; F220-R319 HydrophobicContact CZ-CG 4.41Å; F302-R319 WeakPolarHBondContact O-CB 3.35Å; A303-R319 PolarHBondContact O-NE 2.73Å; F314-R319 HydrophobicContact CE2-CB 4.27Å; F314-R319 HydrophobicContact CE2-CG 3.99Å; F314-R319 HydrophobicContact CZ-CG 4.1Å; N316-R319 HydrophobicContact CB-CB 4.37Å; N316-R319 PolarHBondContact O-N 3.42Å; N316-R319 PolarHBondContact OD1-N 2.73Å; R319-L322 PolarHBondContact O-N 3.48Å; R319-L323 HydrophobicContact CG-CD1 3.99Å; R319-L323 WeakPolarHBondContact O-CG 3.31Å; R319-L323 PolarHBondContact O-N 3.09Å; R319-L323 VanDerWaalsContact O-N 3.15Å
320	F	97.7	Very high	94.8	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.022	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-52.8	176.4	-166.1	-64	0	0	0	110.9	L198 Y199 F314 N316 W317 I318 L322 L323 E324 L329 Y331 L349 F351	L198-F320 HydrophobicContact CD2-CE1 4.23Å; L198-F320 HydrophobicContact CD2-CZ 4.37Å; Y199-F320 HydrophobicContact CD2-CD1 4.04Å; Y199-F320 HydrophobicContact CD2-CE1 4.4Å; Y199-F320 HydrophobicContact CE2-CB 4.25Å; Y199-F320 AromaticContact CE2-CD1 3.37Å; Y199-F320 HydrophobicContact CE2-CD1 3.37Å; Y199-F320 AromaticContact CE2-CE1 3.91Å; Y199-F320 HydrophobicContact CE2-CE1 3.91Å; Y199-F320 HydrophobicContact CE2-CG 4.06Å; F314-F320 HydrophobicContact CE2-CB 3.93Å; F314-F320 HydrophobicContact CE2-CD2 4.25Å; F314-F320 HydrophobicContact CE2-CG 4.45Å; F314-F320 HydrophobicContact CZ-CB 4.45Å; N316-F320 PolarHBondContact O-N 2.79Å; N316-F320 VanDerWaalsContact O-N 3.11Å; W317-F320 WeakPolarHBondContact O-CB 3.46Å; W317-F320 PolarHBondContact O-N 2.79Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.29Å; F320-L322 PolarHBondContact O-N 3.03Å; F320-L323 PolarHBondContact O-N 2.93Å; F320-E324 HydrophobicContact CD1-CB 4.34Å; F320-E324 HydrophobicContact CE1-CB 4.41Å; F320-E324 WeakPolarHBondContact O-CB 3.13Å; F320-E324 PolarHBondContact O-N 2.75Å; F320-L329 HydrophobicContact CD1-CD1 4.22Å; F320-L329 HydrophobicContact CD1-CD2 3.78Å; F320-L329 HydrophobicContact CD2-CD1 3.93Å; F320-L329 HydrophobicContact CD2-CD2 4.39Å; F320-L329 HydrophobicContact CE1-CD1 4.39Å; F320-L329 HydrophobicContact CE1-CD2 3.26Å; F320-L329 HydrophobicContact CE1-CG 4.48Å; F320-L329 HydrophobicContact CE2-CD1 4.08Å; F320-L329 HydrophobicContact CE2-CD2 3.92Å; F320-L329 HydrophobicContact CG-CD1 4.03Å; F320-L329 HydrophobicContact CG-CD2 4.35Å; F320-L329 HydrophobicContact CZ-CD1 4.32Å; F320-L329 HydrophobicContact CZ-CD2 3.34Å; F320-L329 HydrophobicContact CZ-CG 4.47Å; F320-Y331 HydrophobicContact CZ-CD2 4.04Å; F320-L349 HydrophobicContact CD2-CD1 4Å; F320-L349 HydrophobicContact CE2-CB 4.47Å; F320-L349 HydrophobicContact CE2-CD1 3.71Å; F320-L349 HydrophobicContact CZ-CD1 4.38Å; F320-F351 HydrophobicContact CD2-CD1 4.33Å; F320-F351 HydrophobicContact CD2-CE1 4.23Å; F320-F351 HydrophobicContact CD2-CZ 4.47Å; F320-F351 HydrophobicContact CE2-CB 4Å; F320-F351 AromaticContact CE2-CD1 3.48Å; F320-F351 HydrophobicContact CE2-CD1 3.48Å; F320-F351 VanDerWaalsContact CE2-CD1 3.48Å; F320-F351 HydrophobicContact CE2-CD2 4.27Å; F320-F351 AromaticContact CE2-CE1 3.81Å; F320-F351 HydrophobicContact CE2-CE1 3.81Å; F320-F351 AromaticContact CE2-CG 3.69Å; F320-F351 HydrophobicContact CE2-CG 3.69Å; F320-F351 HydrophobicContact CE2-CZ 4.35Å; F320-F351 HydrophobicContact CZ-CB 4.03Å; F320-F351 HydrophobicContact CZ-CD1 4.31Å; F320-F351 HydrophobicContact CZ-CG 4.22Å
321	Y	98.2	Very high	95.4	Very high	19 Å²	19	30.8 Å²	30.8	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-54.5	-49.5	179.9	164.9	-114.3	0	0	0	112.1	Y199 V202 E204 F208 W317 I318 L323 E324 K325	Y199-Y321 VanDerWaalsContact CB-CD2 3.45Å; Y199-Y321 HydrophobicContact CD1-CD2 4.06Å; Y199-Y321 HydrophobicContact CD1-CG 4.31Å; Y199-Y321 HydrophobicContact CD2-CD2 4.27Å; Y199-Y321 AromaticContact CG-CD2 3.67Å; Y199-Y321 HydrophobicContact CG-CD2 3.67Å; Y199-Y321 HydrophobicContact CG-CG 4.23Å; V202-Y321 HydrophobicContact CB-CD1 4.39Å; V202-Y321 HydrophobicContact CB-CD2 4.42Å; V202-Y321 HydrophobicContact CB-CE1 3.84Å; V202-Y321 HydrophobicContact CB-CE2 3.87Å; V202-Y321 HydrophobicContact CG1-CD1 4.37Å; V202-Y321 HydrophobicContact CG1-CE1 4.01Å; V202-Y321 HydrophobicContact CG2-CD1 4.07Å; V202-Y321 HydrophobicContact CG2-CD2 3.52Å; V202-Y321 HydrophobicContact CG2-CE1 3.93Å; V202-Y321 HydrophobicContact CG2-CE2 3.35Å; V202-Y321 HydrophobicContact CG2-CG 3.85Å; E204-Y321 HydrophobicContact CG-CE1 4.12Å; E204-Y321 WeakPolarHBondContact OE1-CE1 3.41Å; E204-Y321 PolarHBondContact OE1-OH 2.9Å; F208-Y321 HydrophobicContact CE2-CD1 4.45Å; F208-Y321 AromaticContact CE2-CE1 3.98Å; F208-Y321 HydrophobicContact CE2-CE1 3.98Å; F208-Y321 AromaticContact CZ-CD1 3.87Å; F208-Y321 HydrophobicContact CZ-CD1 3.87Å; F208-Y321 AromaticContact CZ-CE1 3.76Å; F208-Y321 HydrophobicContact CZ-CE1 3.76Å; W317-Y321 WeakPolarHBondContact O-CB 3.39Å; W317-Y321 PolarHBondContact O-N 3.32Å; I318-Y321 PolarHBondContact O-N 3.16Å; Y321-L323 VanDerWaalsContact C-N 3.29Å; Y321-L323 PolarHBondContact O-N 2.69Å; Y321-E324 PolarHBondContact O-N 3Å; Y321-K325 HydrophobicContact CE1-CD 4.44Å; Y321-K325 HydrophobicContact CE2-CB 4.35Å; Y321-K325 HydrophobicContact CE2-CD 4.49Å; Y321-K325 VanDerWaalsContact O-CB 3.29Å; Y321-K325 WeakPolarHBondContact O-CB 3.41Å; Y321-K325 PolarHBondContact O-N 3.48Å
322	L	97.2	Very high	95.9	Very high	29 Å²	29	31.9 Å²	31.9	15%	0.152	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-39.8	-178.8	-67.2	167.9	0	0	0	111.9	F208 L217 F220 I318 R319 F320 R326	F208-L322 HydrophobicContact CE2-CD2 4.05Å; F208-L322 HydrophobicContact CZ-CD2 4.36Å; L217-L322 HydrophobicContact CD2-CD1 3.44Å; L217-L322 VanDerWaalsContact CD2-CD1 3.44Å; F220-L322 HydrophobicContact CD2-CD1 4.17Å; I318-L322 HydrophobicContact CG2-CD1 4.13Å; I318-L322 VanDerWaalsContact O-CG 3.28Å; I318-L322 WeakPolarHBondContact O-CG 3.21Å; I318-L322 PolarHBondContact O-N 2.91Å; R319-L322 PolarHBondContact O-N 3.48Å; F320-L322 PolarHBondContact O-N 3.03Å; L322-R326 WeakPolarHBondContact O-CG 3.38Å; L322-R326 PolarHBondContact O-N 2.52Å; L322-R326 VanDerWaalsContact O-N 3.16Å
323	L	96.1	Very high	96.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-72.5	-39.1	179.1	-71.4	170	0	0	0	112.4	F314 R319 F320 Y321 R326 G327 E328 L329 W353	F314-L323 HydrophobicContact CE1-CD1 3.51Å; F314-L323 HydrophobicContact CZ-CD1 3.36Å; R319-L323 HydrophobicContact CG-CD1 3.99Å; R319-L323 WeakPolarHBondContact O-CG 3.31Å; R319-L323 PolarHBondContact O-N 3.09Å; R319-L323 VanDerWaalsContact O-N 3.15Å; F320-L323 PolarHBondContact O-N 2.93Å; Y321-L323 VanDerWaalsContact C-N 3.29Å; Y321-L323 PolarHBondContact O-N 2.69Å; L323-R326 PolarHBondContact O-N 2.82Å; L323-G327 PolarHBondContact O-N 2.73Å; L323-E328 HydrophobicContact CD2-CB 3.97Å; L323-E328 WeakPolarHBondContact CD2-OE2 3.21Å; L323-E328 PolarHBondContact O-N 3.04Å; L323-L329 HydrophobicContact CB-CB 3.72Å; L323-L329 HydrophobicContact CB-CD1 4.31Å; L323-L329 PolarHBondContact O-N 2.87Å; L323-W353 HydrophobicContact CD1-CZ2 4.25Å
324	E	97.6	Very high	96.8	Very high	19 Å²	19	30.6 Å²	30.6	9%	0.089	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-45	174.2	-172.3	179.3	-114.3	0	0	110.8	P197 L198 Y199 F320 Y321 R326 G327 L329 Y331	P197-E324 HydrophobicContact CB-CG 4.11Å; P197-E324 WeakPolarHBondContact CB-OE2 3.18Å; L198-E324 VanDerWaalsContact N-CD 3.31Å; L198-E324 PolarHBondContact N-OE1 3.16Å; L198-E324 PolarHBondContact N-OE2 2.79Å; L198-E324 VanDerWaalsContact N-OE2 3.11Å; Y199-E324 VanDerWaalsContact CD2-OE2 3.32Å; Y199-E324 WeakPolarHBondContact CD2-OE2 3.24Å; Y199-E324 PolarHBondContact N-OE2 3.38Å; F320-E324 HydrophobicContact CD1-CB 4.34Å; F320-E324 HydrophobicContact CE1-CB 4.41Å; F320-E324 WeakPolarHBondContact O-CB 3.13Å; F320-E324 PolarHBondContact O-N 2.75Å; Y321-E324 PolarHBondContact O-N 3Å; E324-R326 VanDerWaalsContact C-N 3.25Å; E324-R326 PolarHBondContact O-N 2.88Å; E324-G327 PolarHBondContact O-N 2.76Å; E324-L329 HydrophobicContact CB-CD2 4.27Å; E324-Y331 VanDerWaalsContact OE1-CB 3.24Å; E324-Y331 WeakPolarHBondContact OE1-CB 3.34Å
325	K	97	Very high	96.8	Very high	120 Å²	120	31.2 Å²	31.2	52%	0.522	16%	0.158	S	C	.	.	H	α-helix	trans	-58.1	-36.2	176.5	-174	-172.3	-179	-174.5	0	112.5	E204 Y321 G327	E204-K325 IonicContact OE1-NZ 3.4Å; E204-K325 PolarHBondContact OE1-NZ 3.1Å; E204-K325 IonicContact OE2-NZ 2.71Å; E204-K325 PolarHBondContact OE2-NZ 2.91Å; Y321-K325 HydrophobicContact CE1-CD 4.44Å; Y321-K325 HydrophobicContact CE2-CB 4.35Å; Y321-K325 HydrophobicContact CE2-CD 4.49Å; Y321-K325 VanDerWaalsContact O-CB 3.29Å; Y321-K325 WeakPolarHBondContact O-CB 3.41Å; Y321-K325 PolarHBondContact O-N 3.48Å; K325-G327 VanDerWaalsContact C-N 3.29Å
326	R	95.7	Very high	96.8	Very high	136 Å²	136	32.1 Å²	32.1	51%	0.513	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.4	176.7	-67.5	-167.2	-49.4	-134.4	4.2	113.8	L322 L323 E324 E328	L322-R326 WeakPolarHBondContact O-CG 3.38Å; L322-R326 PolarHBondContact O-N 2.52Å; L322-R326 VanDerWaalsContact O-N 3.16Å; L323-R326 PolarHBondContact O-N 2.82Å; E324-R326 VanDerWaalsContact C-N 3.25Å; E324-R326 PolarHBondContact O-N 2.88Å; R326-E328 HydrophobicContact CB-CG 4.18Å; R326-E328 IonicContact CZ-OE1 2.72Å; R326-E328 IonicContact CZ-OE2 3.82Å; R326-E328 IonicContact NE-OE1 3.74Å; R326-E328 PolarHBondContact NE-OE1 2.65Å; R326-E328 IonicContact NE-OE2 2.69Å; R326-E328 IonicContact NH2-OE1 2.75Å; R326-E328 PolarHBondContact NH2-OE1 2.88Å; R326-E328 IonicContact NH2-OE2 2.95Å; R326-E328 PolarHBondContact NH2-OE2 3.48Å; R326-E328 PolarHBondContact O-N 3.39Å
327	G	95	Very high	96.7	Very high	67 Å²	67	35.5 Å²	35.5	69%	0.691	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	16	-175	0	0	0	0	0	113.9	L323 E324 K325	L323-G327 PolarHBondContact O-N 2.73Å; E324-G327 PolarHBondContact O-N 2.76Å; K325-G327 VanDerWaalsContact C-N 3.29Å
328	E	94.3	Very high	96.4	Very high	83 Å²	83	35.9 Å²	35.9	39%	0.388	19%	0.185	S	C	.	.	S	Bend	trans	-86.7	-19	177.9	-71.1	170.4	-143.8	0	0	112.2	L323 R326	L323-E328 HydrophobicContact CD2-CB 3.97Å; L323-E328 WeakPolarHBondContact CD2-OE2 3.21Å; L323-E328 PolarHBondContact O-N 3.04Å; R326-E328 HydrophobicContact CB-CG 4.18Å; R326-E328 IonicContact CZ-OE1 2.72Å; R326-E328 IonicContact CZ-OE2 3.82Å; R326-E328 IonicContact NE-OE1 3.74Å; R326-E328 PolarHBondContact NE-OE1 2.65Å; R326-E328 IonicContact NE-OE2 2.69Å; R326-E328 IonicContact NH2-OE1 2.75Å; R326-E328 PolarHBondContact NH2-OE1 2.88Å; R326-E328 IonicContact NH2-OE2 2.95Å; R326-E328 PolarHBondContact NH2-OE2 3.48Å; R326-E328 PolarHBondContact O-N 3.39Å
329	L	96.3	Very high	96.1	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.3	176.8	-177.2	157.1	0	0	0	109.4	F314 F320 L323 E324 F351 H352 W353	F314-L329 HydrophobicContact CE1-CD1 3.86Å; F314-L329 HydrophobicContact CE2-CD1 4.34Å; F314-L329 HydrophobicContact CZ-CD1 3.45Å; F314-L329 VanDerWaalsContact CZ-CD1 3.45Å; F320-L329 HydrophobicContact CD1-CD1 4.22Å; F320-L329 HydrophobicContact CD1-CD2 3.78Å; F320-L329 HydrophobicContact CD2-CD1 3.93Å; F320-L329 HydrophobicContact CD2-CD2 4.39Å; F320-L329 HydrophobicContact CE1-CD1 4.39Å; F320-L329 HydrophobicContact CE1-CD2 3.26Å; F320-L329 HydrophobicContact CE1-CG 4.48Å; F320-L329 HydrophobicContact CE2-CD1 4.08Å; F320-L329 HydrophobicContact CE2-CD2 3.92Å; F320-L329 HydrophobicContact CG-CD1 4.03Å; F320-L329 HydrophobicContact CG-CD2 4.35Å; F320-L329 HydrophobicContact CZ-CD1 4.32Å; F320-L329 HydrophobicContact CZ-CD2 3.34Å; F320-L329 HydrophobicContact CZ-CG 4.47Å; L323-L329 HydrophobicContact CB-CB 3.72Å; L323-L329 HydrophobicContact CB-CD1 4.31Å; L323-L329 PolarHBondContact O-N 2.87Å; E324-L329 HydrophobicContact CB-CD2 4.27Å; L329-F351 HydrophobicContact CD1-CD2 3.62Å; L329-F351 HydrophobicContact CD1-CE2 3.85Å; L329-F351 HydrophobicContact CD1-CG 4.35Å; L329-F351 HydrophobicContact CD2-CB 4.08Å; L329-F351 HydrophobicContact CD2-CD2 4.38Å; L329-F351 HydrophobicContact CD2-CG 4.48Å; L329-F351 HydrophobicContact CG-CB 4.44Å; L329-F351 HydrophobicContact CG-CD2 3.93Å; L329-H352 CarbonylContact C-O 3.56Å; L329-H352 WeakPolarHBondContact CA-O 3.5Å; L329-W353 HydrophobicContact CD1-CB 4.37Å; L329-W353 HydrophobicContact CG-CB 4.39Å
330	N	97.4	Very high	96	Very high	62 Å²	62	39.8 Å²	39.8	33%	0.332	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.7	173.4	-173.8	24.9	0	0	0	110.6	D192 Y332 F351 H352	D192-N330 PolarHBondContact OD2-ND2 3.31Å; N330-Y332 HydrophobicContact CB-CD1 4.46Å; N330-Y332 HydrophobicContact CB-CE1 4.02Å; N330-Y332 VanDerWaalsContact ND2-CE1 3.32Å; N330-Y332 WeakPolarHBondContact ND2-CE1 3.33Å; N330-Y332 WeakPolarHBondContact O-CD1 3.47Å; N330-F351 CarbonylContact O-C 3.51Å; N330-F351 VanDerWaalsContact O-CA 3.3Å; N330-F351 WeakPolarHBondContact O-CA 3.13Å; N330-F351 WeakPolarHBondContact O-CB 3.49Å; N330-H352 PolarHBondContact N-O 3.48Å; N330-H352 PolarHBondContact O-N 3.03Å
331	Y	98.1	Very high	95.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.9	175.6	170.8	-112.5	0	0	0	110.7	P178 S194 L198 F320 E324 S333 H334 L349	P178-Y331 PolarHBondContact O-OH 3.48Å; S194-Y331 WeakPolarHBondContact CB-O 3.29Å; S194-Y331 VanDerWaalsContact OG-CE1 3.32Å; S194-Y331 WeakPolarHBondContact OG-CE1 3.43Å; L198-Y331 HydrophobicContact CB-CD1 3.76Å; L198-Y331 HydrophobicContact CB-CD2 4.24Å; L198-Y331 HydrophobicContact CB-CE1 4.18Å; L198-Y331 HydrophobicContact CB-CG 3.78Å; L198-Y331 HydrophobicContact CD1-CE1 4.15Å; L198-Y331 HydrophobicContact CD2-CD2 4.17Å; L198-Y331 HydrophobicContact CD2-CE2 4.17Å; F320-Y331 HydrophobicContact CZ-CD2 4.04Å; E324-Y331 VanDerWaalsContact OE1-CB 3.24Å; E324-Y331 WeakPolarHBondContact OE1-CB 3.34Å; Y331-S333 VanDerWaalsContact CE2-C 3.43Å; Y331-S333 WeakPolarHBondContact CE2-O 3.23Å; Y331-S333 VanDerWaalsContact CZ-C 3.43Å; Y331-S333 PolarHBondContact OH-O 3.36Å; Y331-H334 WeakPolarHBondContact OH-CB 3.35Å; Y331-H334 PolarHBondContact OH-N 2.85Å; Y331-H334 VanDerWaalsContact OH-N 3.12Å; Y331-H334 PolarHBondContact OH-ND1 3.33Å; Y331-L349 HydrophobicContact CD2-CD2 4.35Å; Y331-L349 HydrophobicContact CE2-CD2 3.71Å
332	Y	97.6	Very high	95.1	Very high	35 Å²	35	48.8 Å²	48.8	14%	0.137	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-46.6	-174.2	-81.9	39.8	0	0	0	112.2	K190 S191 D192 L193 S194 N330 Q350 H352 Y357	K190-Y332 WeakPolarHBondContact O-CE2 3.42Å; S191-Y332 WeakPolarHBondContact O-CD2 3.3Å; D192-Y332 HydrophobicContact CB-CD1 4.37Å; D192-Y332 HydrophobicContact CB-CD2 4Å; D192-Y332 HydrophobicContact CB-CE1 4.35Å; D192-Y332 HydrophobicContact CB-CE2 3.96Å; D192-Y332 HydrophobicContact CB-CG 4.2Å; L193-Y332 CarbonylContact C-O 3.43Å; L193-Y332 PolarHBondContact N-O 2.89Å; L193-Y332 VanDerWaalsContact N-O 3.11Å; S194-Y332 VanDerWaalsContact CB-O 3.22Å; S194-Y332 WeakPolarHBondContact CB-O 2.9Å; S194-Y332 PolarHBondContact N-O 3Å; S194-Y332 VanDerWaalsContact OG-C 3.29Å; S194-Y332 PolarHBondContact OG-O 3.14Å; N330-Y332 HydrophobicContact CB-CD1 4.46Å; N330-Y332 HydrophobicContact CB-CE1 4.02Å; N330-Y332 VanDerWaalsContact ND2-CE1 3.32Å; N330-Y332 WeakPolarHBondContact ND2-CE1 3.33Å; N330-Y332 WeakPolarHBondContact O-CD1 3.47Å; Y332-Q350 PolarHBondContact N-O 3.07Å; Y332-H352 HydrophobicContact CD1-CB 4.27Å; Y332-H352 HydrophobicContact CE1-CB 3.47Å; Y332-H352 VanDerWaalsContact CE1-CB 3.47Å; Y332-Y357 HydrophobicContact CD2-CD2 4.27Å; Y332-Y357 AromaticContact CD2-CE2 3.75Å; Y332-Y357 HydrophobicContact CD2-CE2 3.75Å; Y332-Y357 HydrophobicContact CE2-CD2 4.26Å; Y332-Y357 HydrophobicContact CE2-CE2 4.16Å; Y332-Y357 HydrophobicContact CG-CE2 4.24Å
333	S	97.2	Very high	94.8	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.028	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	175.8	-176.9	61.1	0	0	0	0	110.7	A180 Y331 Q350	A180-S333 WeakPolarHBondContact O-CB 3.31Å; Y331-S333 VanDerWaalsContact CE2-C 3.43Å; Y331-S333 WeakPolarHBondContact CE2-O 3.23Å; Y331-S333 VanDerWaalsContact CZ-C 3.43Å; Y331-S333 PolarHBondContact OH-O 3.36Å; S333-Q350 VanDerWaalsContact C-OE1 3.25Å; S333-Q350 PolarHBondContact N-O 3.26Å; S333-Q350 PolarHBondContact O-N 3.5Å; S333-Q350 PolarHBondContact O-OE1 3.44Å; S333-Q350 WeakPolarHBondContact OG-CB 3.04Å; S333-Q350 WeakPolarHBondContact OG-CG 3.37Å; S333-Q350 PolarHBondContact OG-OE1 3.18Å
334	H	96.7	Very high	94.7	Very high	9 Å²	9	48.9 Å²	48.9	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150	165.3	62.9	-73.7	0	0	0	110.9	P178 A180 L181 V182 Y331 G348 L349 Q350	P178-H334 PolarHBondContact O-CE1 3.25Å; P178-H334 PolarHBondContact O-ND1 3.36Å; A180-H334 PolarHBondContact O-CE1 2.87Å; A180-H334 PolarHBondContact O-N 3.25Å; A180-H334 PolarHBondContact O-ND1 3.11Å; A180-H334 VanDerWaalsContact O-ND1 3.11Å; L181-H334 CarbonylContact C-O 3.54Å; L181-H334 VanDerWaalsContact CA-O 3.29Å; L181-H334 WeakPolarHBondContact CA-O 3.29Å; L181-H334 VanDerWaalsContact CD1-CD2 3.49Å; L181-H334 WeakPolarHBondContact CD1-CD2 3.38Å; V182-H334 WeakPolarHBondContact CG2-O 3.2Å; V182-H334 PolarHBondContact N-O 3.34Å; Y331-H334 WeakPolarHBondContact OH-CB 3.35Å; Y331-H334 PolarHBondContact OH-N 2.85Å; Y331-H334 VanDerWaalsContact OH-N 3.12Å; Y331-H334 PolarHBondContact OH-ND1 3.33Å; H334-G348 CarbonylContact C-O 3.53Å; H334-G348 WeakPolarHBondContact CA-O 3.42Å; H334-G348 VanDerWaalsContact CB-O 3.28Å; H334-G348 WeakPolarHBondContact CB-O 3.35Å; H334-L349 HydrophobicContact CB-CD2 4.4Å; H334-Q350 VanDerWaalsContact CA-OE1 3.25Å
335	S	95.3	Very high	94.5	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.119	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-6.6	175.7	62.3	0	0	0	0	113.1	V182 G348 Q350	V182-S335 WeakPolarHBondContact O-CA 3.45Å; S335-G348 PolarHBondContact N-O 3.46Å; S335-Q350 PolarHBondContact OG-NE2 2.87Å
336	F	95.6	Very high	94.5	Very high	33 Å²	33	43 Å²	43	15%	0.145	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	138.8	176.6	177	-104.1	0	0	0	110	V346 L347 G348 M424	F336-V346 HydrophobicContact CD1-CG1 4.24Å; F336-V346 WeakPolarHBondContact CD1-O 3.14Å; F336-V346 HydrophobicContact CE1-CB 4.08Å; F336-V346 HydrophobicContact CE1-CG1 3.87Å; F336-V346 WeakPolarHBondContact CE1-O 3.47Å; F336-L347 WeakPolarHBondContact O-CA 3.46Å; F336-G348 PolarHBondContact O-N 2.88Å; F336-M424 WeakPolarHBondContact CD2-O 3.4Å; F336-M424 WeakPolarHBondContact CE2-O 3.29Å
337	N	94.4	Very high	94.5	Very high	72 Å²	72	36.6 Å²	36.6	39%	0.385	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	119.8	171.6	-174.5	-8.5	0	0	0	107.6	D345 L347	N337-D345 PolarHBondContact OD1-OD2 3.27Å; N337-L347 HydrophobicContact CB-CD2 3.9Å
338	G	91.9	Very high	94.5	Very high	10 Å²	10	33.4 Å²	33.4	10%	0.103	19%	0.186	C	C	.	.			trans	-64.4	167.1	-172	0	0	0	0	0	113.4	W340 V346	G338-W340 PolarHBondContact O-N 3.02Å; G338-W340 VanDerWaalsContact O-N 3.17Å; G338-V346 PolarHBondContact N-O 3.36Å
339	P	93.4	Very high	94.6	Very high	79 Å²	79	29.5 Å²	29.5	51%	0.513	17%	0.168	S	C	.	.	S	Bend	trans	-75.8	7.1	178.2	32.9	-38.6	0	0	0	113.9	K395	P339-K395 HydrophobicContact CB-CD 4.35Å; P339-K395 HydrophobicContact CB-CG 4.43Å; P339-K395 HydrophobicContact CG-CB 4.06Å; P339-K395 HydrophobicContact CG-CD 4.2Å; P339-K395 HydrophobicContact CG-CG 3.93Å
340	W	93.1	Very high	94.6	Very high	29 Å²	29	29.2 Å²	29.2	11%	0.11	17%	0.166	C	C	.	.			trans	-86.7	127.1	-177.2	-61	-83.6	0	0	0	110.2	G338 N342 V346 L392 K395 F397	G338-W340 PolarHBondContact O-N 3.02Å; G338-W340 VanDerWaalsContact O-N 3.17Å; W340-N342 VanDerWaalsContact C-N 3.26Å; W340-N342 PolarHBondContact O-N 3.35Å; W340-V346 HydrophobicContact CE3-CB 4.28Å; W340-V346 HydrophobicContact CE3-CG2 3.99Å; W340-V346 HydrophobicContact CH2-CG2 4.05Å; W340-V346 HydrophobicContact CZ3-CB 3.75Å; W340-V346 HydrophobicContact CZ3-CG2 3.44Å; W340-V346 VanDerWaalsContact CZ3-CG2 3.44Å; W340-L392 HydrophobicContact CD2-CD2 4.33Å; W340-L392 HydrophobicContact CZ2-CB 3.82Å; W340-L392 HydrophobicContact CZ2-CD2 3.89Å; W340-L392 HydrophobicContact CZ2-CG 4.3Å; W340-L392 PolarHBondContact NE1-O 3.36Å; W340-K395 HydrophobicContact CZ2-CB 3.77Å; W340-F397 HydrophobicContact CH2-CB 4.29Å; W340-F397 AromaticContact CH2-CD2 3.97Å; W340-F397 HydrophobicContact CH2-CD2 3.97Å; W340-F397 HydrophobicContact CH2-CG 4.49Å; W340-F397 HydrophobicContact CZ2-CB 4.21Å
341	S	88.2	Confident	94.6	Very high	131 Å²	131	26.3 Å²	26.3	92%	0.916	15%	0.151	S	C	*	.	S	Bend	trans	-83.5	-2.5	179.7	54.5	0	0	0	0	113.7
342	N	88.8	Confident	94.5	Very high	82 Å²	82	29 Å²	29	44%	0.439	16%	0.163	S	C	.	.	S	Bend	trans	-156	-178.5	-178.4	-156.2	-19.4	0	0	0	109.1	W340 P344	W340-N342 VanDerWaalsContact C-N 3.26Å; W340-N342 PolarHBondContact O-N 3.35Å; N342-P344 CarbonylContact O-C 3.48Å
343	Y	92.1	Very high	94.4	Very high	31 Å²	31	27.4 Å²	27.4	12%	0.122	16%	0.157	C	C	.	.	S	Bend	trans	-83.7	152.2	-175.5	-54.8	-63.8	0	0	0	114.7	A169 L174 L176 D345 I365	A169-Y343 WeakPolarHBondContact O-CB 3.26Å; L174-Y343 HydrophobicContact CB-CD2 4.31Å; L174-Y343 HydrophobicContact CB-CE2 3.69Å; L174-Y343 HydrophobicContact CD2-CD1 3.95Å; L174-Y343 HydrophobicContact CD2-CD2 4.31Å; L174-Y343 HydrophobicContact CD2-CE1 3.65Å; L174-Y343 HydrophobicContact CD2-CE2 4.03Å; L174-Y343 HydrophobicContact CD2-CG 4.27Å; L174-Y343 HydrophobicContact CG-CE1 3.99Å; L174-Y343 HydrophobicContact CG-CE2 3.86Å; L174-Y343 WeakPolarHBondContact O-CE2 3.48Å; L174-Y343 PolarHBondContact O-OH 2.79Å; L176-Y343 HydrophobicContact CD1-CE1 4.01Å; L176-Y343 HydrophobicContact CG-CE1 4.3Å; Y343-D345 HydrophobicContact CD1-CB 4.36Å; Y343-I365 WeakPolarHBondContact CD1-O 3.43Å; Y343-I365 HydrophobicContact CE1-CG2 4.32Å
344	P	93.3	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	S	Bend	cis	-60	142.9	-15.1	15.7	-33	0	0	0	115.3	F162 N342 V364 I365 C367 F371 L392	F162-P344 HydrophobicContact CD2-CG 3.82Å; F162-P344 VanDerWaalsContact CE2-CD 3.5Å; F162-P344 HydrophobicContact CE2-CG 3.58Å; N342-P344 CarbonylContact O-C 3.48Å; P344-V364 HydrophobicContact CB-CG1 3.44Å; P344-V364 VanDerWaalsContact CB-CG1 3.44Å; P344-V364 HydrophobicContact CG-CG1 4.43Å; P344-I365 VanDerWaalsContact CA-O 3.23Å; P344-I365 WeakPolarHBondContact CA-O 3.48Å; P344-C367 HydrophobicContact CB-CB 3.98Å; P344-C367 HydrophobicContact CG-CB 4.3Å; P344-F371 HydrophobicContact CG-CE1 4.41Å; P344-L392 HydrophobicContact CG-CD1 4.44Å; P344-L392 HydrophobicContact CG-CD2 4.23Å
345	D	93.9	Very high	93.6	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.08	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	167.7	170.4	-171.9	18.1	0	0	0	109.5	N337 Y343 V364 I365	N337-D345 PolarHBondContact OD1-OD2 3.27Å; Y343-D345 HydrophobicContact CD1-CB 4.36Å; D345-V364 CarbonylContact O-C 3.53Å; D345-V364 WeakPolarHBondContact O-CA 3.49Å; D345-I365 PolarHBondContact N-O 3.16Å; D345-I365 PolarHBondContact O-N 3.09Å
346	V	95.5	Very high	93.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.8	180	-178.2	0	0	0	0	109.7	F336 G338 W340 A363 V364 F397 P421	F336-V346 HydrophobicContact CD1-CG1 4.24Å; F336-V346 WeakPolarHBondContact CD1-O 3.14Å; F336-V346 HydrophobicContact CE1-CB 4.08Å; F336-V346 HydrophobicContact CE1-CG1 3.87Å; F336-V346 WeakPolarHBondContact CE1-O 3.47Å; G338-V346 PolarHBondContact N-O 3.36Å; W340-V346 HydrophobicContact CE3-CB 4.28Å; W340-V346 HydrophobicContact CE3-CG2 3.99Å; W340-V346 HydrophobicContact CH2-CG2 4.05Å; W340-V346 HydrophobicContact CZ3-CB 3.75Å; W340-V346 HydrophobicContact CZ3-CG2 3.44Å; W340-V346 VanDerWaalsContact CZ3-CG2 3.44Å; V346-A363 WeakPolarHBondContact CA-O 3.36Å; V346-V364 HydrophobicContact CG2-CG2 4.44Å; V346-F397 HydrophobicContact CG2-CD2 4.09Å; V346-F397 HydrophobicContact CG2-CE2 3.63Å; V346-P421 HydrophobicContact CG1-CB 3.87Å; V346-P421 HydrophobicContact CG1-CG 4.07Å
347	L	95.8	Very high	93.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142	176.7	-62	-175.2	0	0	0	111.1	L176 L198 F336 N337 L349 S362 A363 I365	L176-L347 HydrophobicContact CD1-CD1 4.14Å; L198-L347 HydrophobicContact CD1-CD1 4.24Å; L198-L347 HydrophobicContact CD2-CD1 4.36Å; F336-L347 WeakPolarHBondContact O-CA 3.46Å; N337-L347 HydrophobicContact CB-CD2 3.9Å; L347-L349 HydrophobicContact CB-CD2 3.58Å; L347-L349 HydrophobicContact CB-CG 3.98Å; L347-L349 HydrophobicContact CD1-CD2 3.92Å; L347-L349 HydrophobicContact CG-CD2 4.42Å; L347-S362 WeakPolarHBondContact O-CA 3.5Å; L347-A363 PolarHBondContact N-O 3.15Å; L347-A363 PolarHBondContact O-N 2.86Å; L347-I365 HydrophobicContact CB-CG1 4.31Å; L347-I365 HydrophobicContact CD1-CG1 4.17Å; L347-I365 HydrophobicContact CG-CG1 4.03Å
348	G	96.3	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.7	165.3	0	0	0	0	0	109.4	H334 S335 F336	H334-G348 CarbonylContact C-O 3.53Å; H334-G348 WeakPolarHBondContact CA-O 3.42Å; H334-G348 VanDerWaalsContact CB-O 3.28Å; H334-G348 WeakPolarHBondContact CB-O 3.35Å; S335-G348 PolarHBondContact N-O 3.46Å; F336-G348 PolarHBondContact O-N 2.88Å
349	L	96.2	Very high	93.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.2	-164.6	-54.9	167.7	0	0	0	112.5	L198 F320 Y331 H334 L347 F351 G361 A363	L198-L349 HydrophobicContact CD2-CD2 3.79Å; F320-L349 HydrophobicContact CD2-CD1 4Å; F320-L349 HydrophobicContact CE2-CB 4.47Å; F320-L349 HydrophobicContact CE2-CD1 3.71Å; F320-L349 HydrophobicContact CZ-CD1 4.38Å; Y331-L349 HydrophobicContact CD2-CD2 4.35Å; Y331-L349 HydrophobicContact CE2-CD2 3.71Å; H334-L349 HydrophobicContact CB-CD2 4.4Å; L347-L349 HydrophobicContact CB-CD2 3.58Å; L347-L349 HydrophobicContact CB-CG 3.98Å; L347-L349 HydrophobicContact CD1-CD2 3.92Å; L347-L349 HydrophobicContact CG-CD2 4.42Å; L349-F351 HydrophobicContact CB-CD1 4.05Å; L349-F351 HydrophobicContact CB-CE1 4.43Å; L349-G361 WeakPolarHBondContact CA-O 3.4Å; L349-G361 VanDerWaalsContact CB-O 3.29Å; L349-G361 WeakPolarHBondContact CB-O 3.09Å; L349-G361 PolarHBondContact N-O 3.36Å; L349-G361 PolarHBondContact O-N 3.01Å; L349-A363 HydrophobicContact CD1-CB 4.39Å
350	Q	96.8	Very high	93.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.6	162.8	-69.3	66.7	65.5	0	0	108	Y332 S333 H334 S335 Y357 Q359	Y332-Q350 PolarHBondContact N-O 3.07Å; S333-Q350 VanDerWaalsContact C-OE1 3.25Å; S333-Q350 PolarHBondContact N-O 3.26Å; S333-Q350 PolarHBondContact O-N 3.5Å; S333-Q350 PolarHBondContact O-OE1 3.44Å; S333-Q350 WeakPolarHBondContact OG-CB 3.04Å; S333-Q350 WeakPolarHBondContact OG-CG 3.37Å; S333-Q350 PolarHBondContact OG-OE1 3.18Å; H334-Q350 VanDerWaalsContact CA-OE1 3.25Å; S335-Q350 PolarHBondContact OG-NE2 2.87Å; Q350-Y357 HydrophobicContact CB-CE2 4.35Å; Q350-Y357 WeakPolarHBondContact CG-OH 3.43Å; Q350-Q359 WeakPolarHBondContact CG-O 3.47Å; Q350-Q359 PolarHBondContact NE2-O 2.65Å; Q350-Q359 VanDerWaalsContact NE2-O 3.13Å
351	F	96.9	Very high	93.1	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163.8	179.4	61.2	-89.6	0	0	0	112	V311 F314 F320 L329 N330 L349 W353 K358	V311-F351 HydrophobicContact CG1-CE2 4.33Å; F314-F351 HydrophobicContact CB-CZ 4.45Å; F314-F351 HydrophobicContact CD1-CE2 4.06Å; F314-F351 HydrophobicContact CD1-CZ 4.25Å; F314-F351 HydrophobicContact CD2-CZ 4.3Å; F314-F351 HydrophobicContact CE1-CE2 4.1Å; F314-F351 HydrophobicContact CG-CE2 4.37Å; F314-F351 HydrophobicContact CG-CZ 4.1Å; F314-F351 HydrophobicContact CZ-CE2 4.44Å; F320-F351 HydrophobicContact CD2-CD1 4.33Å; F320-F351 HydrophobicContact CD2-CE1 4.23Å; F320-F351 HydrophobicContact CD2-CZ 4.47Å; F320-F351 HydrophobicContact CE2-CB 4Å; F320-F351 AromaticContact CE2-CD1 3.48Å; F320-F351 HydrophobicContact CE2-CD1 3.48Å; F320-F351 VanDerWaalsContact CE2-CD1 3.48Å; F320-F351 HydrophobicContact CE2-CD2 4.27Å; F320-F351 AromaticContact CE2-CE1 3.81Å; F320-F351 HydrophobicContact CE2-CE1 3.81Å; F320-F351 AromaticContact CE2-CG 3.69Å; F320-F351 HydrophobicContact CE2-CG 3.69Å; F320-F351 HydrophobicContact CE2-CZ 4.35Å; F320-F351 HydrophobicContact CZ-CB 4.03Å; F320-F351 HydrophobicContact CZ-CD1 4.31Å; F320-F351 HydrophobicContact CZ-CG 4.22Å; L329-F351 HydrophobicContact CD1-CD2 3.62Å; L329-F351 HydrophobicContact CD1-CE2 3.85Å; L329-F351 HydrophobicContact CD1-CG 4.35Å; L329-F351 HydrophobicContact CD2-CB 4.08Å; L329-F351 HydrophobicContact CD2-CD2 4.38Å; L329-F351 HydrophobicContact CD2-CG 4.48Å; L329-F351 HydrophobicContact CG-CB 4.44Å; L329-F351 HydrophobicContact CG-CD2 3.93Å; N330-F351 CarbonylContact O-C 3.51Å; N330-F351 VanDerWaalsContact O-CA 3.3Å; N330-F351 WeakPolarHBondContact O-CA 3.13Å; N330-F351 WeakPolarHBondContact O-CB 3.49Å; L349-F351 HydrophobicContact CB-CD1 4.05Å; L349-F351 HydrophobicContact CB-CE1 4.43Å; F351-W353 HydrophobicContact CD2-CB 4.23Å; F351-W353 HydrophobicContact CE2-CB 4.26Å; F351-K358 HydrophobicContact CD1-CB 4.3Å; F351-K358 HydrophobicContact CD1-CD 4.37Å; F351-K358 HydrophobicContact CD2-CB 4.33Å; F351-K358 HydrophobicContact CE1-CB 4.13Å; F351-K358 HydrophobicContact CE1-CD 3.45Å; F351-K358 VanDerWaalsContact CE1-CD 3.45Å; F351-K358 HydrophobicContact CE1-CG 4.32Å; F351-K358 HydrophobicContact CE2-CB 4.12Å; F351-K358 HydrophobicContact CE2-CD 4.1Å; F351-K358 HydrophobicContact CG-CB 4.44Å; F351-K358 HydrophobicContact CZ-CB 4.04Å; F351-K358 HydrophobicContact CZ-CD 3.28Å; F351-K358 HydrophobicContact CZ-CG 4.28Å; F351-K358 PolarHBondContact N-O 2.99Å; F351-K358 PolarHBondContact O-N 3.27Å
352	H	95.9	Very high	93.4	Very high	56 Å²	56	29.5 Å²	29.5	26%	0.259	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.2	176.2	-173.9	-84.2	0	0	0	109.8	L329 N330 Y332 G355 Y356	L329-H352 CarbonylContact C-O 3.56Å; L329-H352 WeakPolarHBondContact CA-O 3.5Å; N330-H352 PolarHBondContact N-O 3.48Å; N330-H352 PolarHBondContact O-N 3.03Å; Y332-H352 HydrophobicContact CD1-CB 4.27Å; Y332-H352 HydrophobicContact CE1-CB 3.47Å; Y332-H352 VanDerWaalsContact CE1-CB 3.47Å; H352-G355 WeakPolarHBondContact CE1-CA 3.17Å; H352-G355 PolarHBondContact CE1-N 2.71Å; H352-G355 PolarHBondContact NE2-O 2.8Å; H352-Y356 WeakPolarHBondContact CA-O 3.31Å; H352-Y356 PolarHBondContact NE2-N 3.3Å
353	W	94.6	Very high	93.7	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126.3	-178.9	175.4	49.1	0	0	0	110	R225 G304 I306 V311 F314 L323 L329 F351 G355 Y356	R225-W353 HydrophobicContact CB-CH2 3.93Å; R225-W353 HydrophobicContact CB-CZ2 3.97Å; G304-W353 WeakPolarHBondContact O-CH2 3.02Å; I306-W353 HydrophobicContact CD1-CE3 4.45Å; I306-W353 HydrophobicContact CD1-CZ3 4.4Å; I306-W353 HydrophobicContact CG1-CE3 4.24Å; I306-W353 HydrophobicContact CG1-CZ3 4Å; V311-W353 HydrophobicContact CB-CE3 4.47Å; V311-W353 HydrophobicContact CG1-CE3 3.8Å; V311-W353 HydrophobicContact CG1-CZ3 4.17Å; V311-W353 HydrophobicContact CG2-CB 4.35Å; V311-W353 HydrophobicContact CG2-CE3 3.96Å; F314-W353 AromaticContact CD1-CD2 3.91Å; F314-W353 HydrophobicContact CD1-CD2 3.91Å; F314-W353 AromaticContact CD1-CE3 3.46Å; F314-W353 HydrophobicContact CD1-CE3 3.46Å; F314-W353 VanDerWaalsContact CD1-CE3 3.46Å; F314-W353 HydrophobicContact CD1-CH2 4.14Å; F314-W353 AromaticContact CD1-CZ3 3.59Å; F314-W353 HydrophobicContact CD1-CZ3 3.59Å; F314-W353 AromaticContact CE1-CD2 3.59Å; F314-W353 HydrophobicContact CE1-CD2 3.59Å; F314-W353 AromaticContact CE1-CE2 3.91Å; F314-W353 AromaticContact CE1-CE3 3.67Å; F314-W353 HydrophobicContact CE1-CE3 3.67Å; F314-W353 AromaticContact CE1-CG 3.98Å; F314-W353 HydrophobicContact CE1-CG 3.98Å; F314-W353 HydrophobicContact CE1-CH2 4.34Å; F314-W353 HydrophobicContact CE1-CZ2 4.29Å; F314-W353 HydrophobicContact CE1-CZ3 4.06Å; L323-W353 HydrophobicContact CD1-CZ2 4.25Å; L329-W353 HydrophobicContact CD1-CB 4.37Å; L329-W353 HydrophobicContact CG-CB 4.39Å; F351-W353 HydrophobicContact CD2-CB 4.23Å; F351-W353 HydrophobicContact CE2-CB 4.26Å; W353-G355 VanDerWaalsContact C-N 3.29Å; W353-G355 PolarHBondContact O-N 2.95Å; W353-Y356 PolarHBondContact N-O 3.11Å; W353-Y356 PolarHBondContact O-N 3.03Å
354	D	88.6	Confident	93.9	Very high	60 Å²	60	24.4 Å²	24.4	32%	0.321	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	42.4	176.2	-161.2	39.9	0	0	0	114.6	R225 I306 Y356	R225-D354 IonicContact CZ-OD1 3.45Å; R225-D354 IonicContact CZ-OD2 3.7Å; R225-D354 VanDerWaalsContact CZ-OD2 3.29Å; R225-D354 IonicContact NE-OD1 3.8Å; R225-D354 IonicContact NE-OD2 2.85Å; R225-D354 PolarHBondContact NE-OD2 3.1Å; R225-D354 IonicContact NH2-OD1 3.49Å; R225-D354 PolarHBondContact NH2-OD1 2.97Å; R225-D354 IonicContact NH2-OD2 2.97Å; R225-D354 PolarHBondContact NH2-OD2 3.36Å; R225-D354 VanDerWaalsContact NH2-OD2 3.1Å; I306-D354 HydrophobicContact CD1-CB 3.94Å; D354-Y356 WeakPolarHBondContact O-CD2 3.22Å; D354-Y356 WeakPolarHBondContact O-CE2 3.24Å
355	G	90.1	Very high	94.1	Very high	55 Å²	55	24.4 Å²	24.4	57%	0.567	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-2.3	-180	0	0	0	0	0	115.2	H352 W353	H352-G355 WeakPolarHBondContact CE1-CA 3.17Å; H352-G355 PolarHBondContact CE1-N 2.71Å; H352-G355 PolarHBondContact NE2-O 2.8Å; W353-G355 VanDerWaalsContact C-N 3.29Å; W353-G355 PolarHBondContact O-N 2.95Å
356	Y	93.3	Very high	94.3	Very high	90 Å²	90	23.7 Å²	23.7	35%	0.353	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.3	-173.8	-57	-70.1	0	0	0	112.8	I306 G309 H352 W353 D354	I306-Y356 HydrophobicContact CD1-CD2 3.67Å; I306-Y356 HydrophobicContact CD1-CE2 3.92Å; I306-Y356 HydrophobicContact CG1-CD2 4.03Å; I306-Y356 HydrophobicContact CG1-CE2 4.45Å; I306-Y356 HydrophobicContact CG2-CD2 3.71Å; I306-Y356 HydrophobicContact CG2-CE2 3.59Å; I306-Y356 HydrophobicContact CG2-CG 4.32Å; G309-Y356 WeakPolarHBondContact O-CD1 3.45Å; G309-Y356 WeakPolarHBondContact O-CE1 3.42Å; H352-Y356 WeakPolarHBondContact CA-O 3.31Å; H352-Y356 PolarHBondContact NE2-N 3.3Å; W353-Y356 PolarHBondContact N-O 3.11Å; W353-Y356 PolarHBondContact O-N 3.03Å; D354-Y356 WeakPolarHBondContact O-CD2 3.22Å; D354-Y356 WeakPolarHBondContact O-CE2 3.24Å
357	Y	94.1	Very high	94.4	Very high	35 Å²	35	23.7 Å²	23.7	14%	0.137	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.1	175.9	-178.3	-104.6	0	0	0	111.4	T187 K190 Y332 Q350 Q359	T187-Y357 WeakPolarHBondContact O-CE1 3.42Å; T187-Y357 PolarHBondContact O-OH 3.44Å; K190-Y357 HydrophobicContact CB-CD2 4.46Å; K190-Y357 HydrophobicContact CB-CE2 4.46Å; K190-Y357 HydrophobicContact CD-CD1 4.21Å; K190-Y357 HydrophobicContact CD-CG 4.28Å; K190-Y357 HydrophobicContact CG-CD1 3.68Å; K190-Y357 HydrophobicContact CG-CD2 4.32Å; K190-Y357 HydrophobicContact CG-CE1 3.8Å; K190-Y357 HydrophobicContact CG-CE2 4.45Å; K190-Y357 HydrophobicContact CG-CG 3.93Å; Y332-Y357 HydrophobicContact CD2-CD2 4.27Å; Y332-Y357 AromaticContact CD2-CE2 3.75Å; Y332-Y357 HydrophobicContact CD2-CE2 3.75Å; Y332-Y357 HydrophobicContact CE2-CD2 4.26Å; Y332-Y357 HydrophobicContact CE2-CE2 4.16Å; Y332-Y357 HydrophobicContact CG-CE2 4.24Å; Q350-Y357 HydrophobicContact CB-CE2 4.35Å; Q350-Y357 WeakPolarHBondContact CG-OH 3.43Å; Y357-Q359 HydrophobicContact CD1-CB 4.48Å; Y357-Q359 VanDerWaalsContact CE1-CA 3.48Å; Y357-Q359 HydrophobicContact CE1-CB 4.04Å; Y357-Q359 HydrophobicContact CE1-CG 4.37Å
358	K	94.1	Very high	94.5	Very high	18 Å²	18	23.6 Å²	23.6	8%	0.078	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.8	167.7	-162.8	-177.1	178.9	72.5	0	109.6	V311 G313 F351 V360	V311-K358 HydrophobicContact CB-CB 4Å; V311-K358 HydrophobicContact CB-CD 4.36Å; V311-K358 HydrophobicContact CB-CG 4.18Å; V311-K358 HydrophobicContact CG1-CB 4.35Å; V311-K358 HydrophobicContact CG1-CD 3.95Å; V311-K358 HydrophobicContact CG1-CG 4.33Å; V311-K358 HydrophobicContact CG2-CB 4.37Å; V311-K358 PolarHBondContact O-NZ 2.9Å; G313-K358 VanDerWaalsContact O-CE 3.24Å; G313-K358 WeakPolarHBondContact O-CE 3.46Å; G313-K358 PolarHBondContact O-NZ 3.37Å; F351-K358 HydrophobicContact CD1-CB 4.3Å; F351-K358 HydrophobicContact CD1-CD 4.37Å; F351-K358 HydrophobicContact CD2-CB 4.33Å; F351-K358 HydrophobicContact CE1-CB 4.13Å; F351-K358 HydrophobicContact CE1-CD 3.45Å; F351-K358 VanDerWaalsContact CE1-CD 3.45Å; F351-K358 HydrophobicContact CE1-CG 4.32Å; F351-K358 HydrophobicContact CE2-CB 4.12Å; F351-K358 HydrophobicContact CE2-CD 4.1Å; F351-K358 HydrophobicContact CG-CB 4.44Å; F351-K358 HydrophobicContact CZ-CB 4.04Å; F351-K358 HydrophobicContact CZ-CD 3.28Å; F351-K358 HydrophobicContact CZ-CG 4.28Å; F351-K358 PolarHBondContact N-O 2.99Å; F351-K358 PolarHBondContact O-N 3.27Å; K358-V360 WeakPolarHBondContact CE-O 3.43Å
359	Q	92.4	Very high	94.6	Very high	95 Å²	95	23.6 Å²	23.6	44%	0.444	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-45.9	-177.5	-171.4	-172.1	-24.8	0	0	112.9	T187 Q350 Y357	T187-Q359 WeakPolarHBondContact O-CG 3.26Å; T187-Q359 PolarHBondContact OG1-NE2 3.46Å; Q350-Q359 WeakPolarHBondContact CG-O 3.47Å; Q350-Q359 PolarHBondContact NE2-O 2.65Å; Q350-Q359 VanDerWaalsContact NE2-O 3.13Å; Y357-Q359 HydrophobicContact CD1-CB 4.48Å; Y357-Q359 VanDerWaalsContact CE1-CA 3.48Å; Y357-Q359 HydrophobicContact CE1-CB 4.04Å; Y357-Q359 HydrophobicContact CE1-CG 4.37Å
360	V	87.8	Confident	94.7	Very high	68 Å²	68	23.6 Å²	23.6	41%	0.412	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	119.8	175.6	-176.8	0	0	0	0	107.5	T187 K358	T187-V360 HydrophobicContact CG2-CG2 4.16Å; K358-V360 WeakPolarHBondContact CE-O 3.43Å
361	G	91.4	Very high	94.8	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.4	166.5	0	0	0	0	0	109.2	L349	L349-G361 WeakPolarHBondContact CA-O 3.4Å; L349-G361 VanDerWaalsContact CB-O 3.29Å; L349-G361 WeakPolarHBondContact CB-O 3.09Å; L349-G361 PolarHBondContact N-O 3.36Å; L349-G361 PolarHBondContact O-N 3.01Å
362	S	94.3	Very high	94.8	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.1	179	53.4	0	0	0	0	111.1	H315 L347 P421	H315-S362 WeakPolarHBondContact CB-O 3.38Å; H315-S362 PolarHBondContact ND1-O 3.26Å; L347-S362 WeakPolarHBondContact O-CA 3.5Å; S362-P421 WeakPolarHBondContact CB-O 3.4Å; S362-P421 PolarHBondContact OG-O 3.04Å
363	A	95.3	Very high	94.9	Very high	4 Å²	4	21 Å²	21	3%	0.033	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.3	-179.6	0	0	0	0	0	110.4	H315 V346 L347 L349 I365	H315-A363 WeakPolarHBondContact O-CA 3.29Å; H315-A363 WeakPolarHBondContact O-CB 3.35Å; V346-A363 WeakPolarHBondContact CA-O 3.36Å; L347-A363 PolarHBondContact N-O 3.15Å; L347-A363 PolarHBondContact O-N 2.86Å; L349-A363 HydrophobicContact CD1-CB 4.39Å; A363-I365 HydrophobicContact CB-CD1 3.69Å
364	V	95.9	Very high	95.1	Very high	2 Å²	2	21 Å²	21	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.4	165.8	-172.9	0	0	0	0	107	P344 D345 V346 C367 F371 F397 P421	P344-V364 HydrophobicContact CB-CG1 3.44Å; P344-V364 VanDerWaalsContact CB-CG1 3.44Å; P344-V364 HydrophobicContact CG-CG1 4.43Å; D345-V364 CarbonylContact O-C 3.53Å; D345-V364 WeakPolarHBondContact O-CA 3.49Å; V346-V364 HydrophobicContact CG2-CG2 4.44Å; V364-C367 HydrophobicContact CG1-CB 3.92Å; V364-F371 HydrophobicContact CG1-CE1 4.35Å; V364-F397 HydrophobicContact CG2-CE2 4.23Å; V364-F397 HydrophobicContact CG2-CZ 3.63Å; V364-P421 HydrophobicContact CG2-CB 4.19Å; V364-P421 HydrophobicContact CG2-CG 4Å
365	I	97.5	Very high	95.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.5	-174.2	-48.2	-58.2	0	0	0	109.9	L174 L176 Y199 W317 Y343 P344 D345 L347 A363 C367	L174-I365 HydrophobicContact CD2-CG2 4Å; L176-I365 HydrophobicContact CD1-CB 4.47Å; L176-I365 HydrophobicContact CD1-CG2 3.77Å; L176-I365 HydrophobicContact CD2-CG2 4.07Å; L176-I365 HydrophobicContact CG-CG2 4.43Å; Y199-I365 HydrophobicContact CE1-CG2 4.27Å; W317-I365 HydrophobicContact CB-CD1 3.63Å; W317-I365 HydrophobicContact CB-CG2 4.35Å; Y343-I365 WeakPolarHBondContact CD1-O 3.43Å; Y343-I365 HydrophobicContact CE1-CG2 4.32Å; P344-I365 VanDerWaalsContact CA-O 3.23Å; P344-I365 WeakPolarHBondContact CA-O 3.48Å; D345-I365 PolarHBondContact N-O 3.16Å; D345-I365 PolarHBondContact O-N 3.09Å; L347-I365 HydrophobicContact CB-CG1 4.31Å; L347-I365 HydrophobicContact CD1-CG1 4.17Å; L347-I365 HydrophobicContact CG-CG1 4.03Å; A363-I365 HydrophobicContact CB-CD1 3.69Å; I365-C367 PolarHBondContact O-N 3.48Å
366	G	97.3	Very high	96	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	84.8	-2.1	173.4	0	0	0	0	0	115.8	K168 A169 L174	K168-G366 WeakPolarHBondContact CB-O 3.49Å; A169-G366 PolarHBondContact N-O 2.97Å; L174-G366 VanDerWaalsContact CD2-CA 3.42Å
367	C	96.9	Very high	96.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.			trans	-69.1	164.2	167.9	63.5	0	0	0	0	112	Y213 W317 P344 V364 I365 F371 D372	Y213-C367 PolarHBondContact OH-O 2.78Å; W317-C367 PolarHBondContact NE1-O 2.96Å; P344-C367 HydrophobicContact CB-CB 3.98Å; P344-C367 HydrophobicContact CG-CB 4.3Å; V364-C367 HydrophobicContact CG1-CB 3.92Å; I365-C367 PolarHBondContact O-N 3.48Å; C367-F371 HydrophobicContact CB-CB 4.13Å; C367-F371 HydrophobicContact CB-CD1 3.45Å; C367-F371 VanDerWaalsContact CB-CD1 3.45Å; C367-F371 HydrophobicContact CB-CE1 4.15Å; C367-F371 HydrophobicContact CB-CG 4.03Å; C367-D372 VanDerWaalsContact SG-CG 3.54Å; C367-D372 PolarHBondContact SG-OD1 2.76Å
368	S	98.5	Very high	96.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.			trans	-80.7	160.4	171.7	65.8	0	0	0	0	113	D165 Y213 E370 F371 D372	D165-S368 VanDerWaalsContact CG-OG 3.22Å; D165-S368 WeakPolarHBondContact OD1-CB 3.44Å; D165-S368 PolarHBondContact OD1-OG 2.78Å; D165-S368 PolarHBondContact OD2-N 3.39Å; D165-S368 PolarHBondContact OD2-OG 3.03Å; Y213-S368 WeakPolarHBondContact OH-CA 3.26Å; S368-E370 VanDerWaalsContact C-N 3.27Å; S368-E370 VanDerWaalsContact CB-CD 3.42Å; S368-E370 VanDerWaalsContact CB-OE2 3.28Å; S368-E370 WeakPolarHBondContact CB-OE2 2.95Å; S368-E370 PolarHBondContact O-N 3.18Å; S368-E370 VanDerWaalsContact OG-CG 3.26Å; S368-E370 WeakPolarHBondContact OG-CG 3.32Å; S368-E370 PolarHBondContact OG-OE2 3.43Å; S368-F371 PolarHBondContact O-N 2.92Å; S368-F371 VanDerWaalsContact O-N 3.14Å; S368-F371 PolarHBondContact OG-N 3.25Å; S368-D372 PolarHBondContact O-N 3.02Å
369	P	98.5	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56	-38.8	175.3	-26.8	35.7	0	0	0	114	Y213 L216 F244 T248 I318 F371 L373	Y213-P369 HydrophobicContact CD1-CG 4.39Å; Y213-P369 HydrophobicContact CD2-CG 4.16Å; Y213-P369 VanDerWaalsContact CE2-CD 3.48Å; Y213-P369 HydrophobicContact CE2-CG 4.41Å; Y213-P369 HydrophobicContact CG-CG 4.16Å; L216-P369 HydrophobicContact CB-CB 4.21Å; L216-P369 HydrophobicContact CB-CG 4.09Å; L216-P369 HydrophobicContact CD2-CB 3.98Å; L216-P369 HydrophobicContact CD2-CG 3.78Å; F244-P369 HydrophobicContact CE2-CB 3.87Å; F244-P369 HydrophobicContact CZ-CB 4.31Å; T248-P369 HydrophobicContact CG2-CB 4.34Å; I318-P369 HydrophobicContact CD1-CG 3.93Å; P369-F371 VanDerWaalsContact C-N 3.34Å; P369-L373 WeakPolarHBondContact O-CB 3.39Å; P369-L373 PolarHBondContact O-N 2.96Å
370	E	98.6	Very high	96.9	Very high	2 Å²	2	5 Å²	5	1%	0.009	3%	0.029	C	C	.	.	H	α-helix	trans	-67.8	-32.4	177.7	60.2	-89.8	-140.7	0	0	112.7	N167 T212 T248 M249 T252 L254 S368 A374	N167-E370 WeakPolarHBondContact CB-OE1 3.14Å; N167-E370 PolarHBondContact ND2-OE1 2.89Å; T212-E370 WeakPolarHBondContact CB-OE2 3.2Å; T212-E370 VanDerWaalsContact CG2-OE2 3.31Å; T212-E370 WeakPolarHBondContact CG2-OE2 3.19Å; T212-E370 PolarHBondContact OG1-OE1 3.2Å; T212-E370 PolarHBondContact OG1-OE2 3.07Å; T248-E370 HydrophobicContact CG2-CB 3.92Å; T248-E370 WeakPolarHBondContact O-CB 3.21Å; M249-E370 HydrophobicContact CE-CB 4.21Å; M249-E370 WeakPolarHBondContact CE-O 3.47Å; T252-E370 HydrophobicContact CG2-CB 4.32Å; T252-E370 HydrophobicContact CG2-CG 3.91Å; T252-E370 WeakPolarHBondContact CG2-OE1 3.48Å; L254-E370 HydrophobicContact CD1-CG 4.26Å; L254-E370 HydrophobicContact CD2-CB 4.42Å; L254-E370 HydrophobicContact CD2-CG 4.4Å; S368-E370 VanDerWaalsContact C-N 3.27Å; S368-E370 VanDerWaalsContact CB-CD 3.42Å; S368-E370 VanDerWaalsContact CB-OE2 3.28Å; S368-E370 WeakPolarHBondContact CB-OE2 2.95Å; S368-E370 PolarHBondContact O-N 3.18Å; S368-E370 VanDerWaalsContact OG-CG 3.26Å; S368-E370 WeakPolarHBondContact OG-CG 3.32Å; S368-E370 PolarHBondContact OG-OE2 3.43Å; E370-A374 WeakPolarHBondContact O-CB 3.5Å; E370-A374 PolarHBondContact O-N 3.11Å
371	F	98.6	Very high	97.3	Very high	1 Å²	1	3.5 Å²	3.5	0%	0.004	2%	0.019	C	C	.	.	H	α-helix	trans	-68.7	-48.2	176.8	-179.2	-88.8	0	0	0	111.5	F162 D165 L254 P344 V364 C367 S368 P369 A374 L375 L392	F162-F371 HydrophobicContact CB-CE2 3.96Å; F162-F371 HydrophobicContact CB-CZ 4.49Å; F162-F371 HydrophobicContact CD2-CE2 4.43Å; F162-F371 HydrophobicContact CD2-CZ 4.49Å; D165-F371 HydrophobicContact CB-CB 4.33Å; D165-F371 HydrophobicContact CB-CD2 3.85Å; D165-F371 HydrophobicContact CB-CG 4.38Å; D165-F371 VanDerWaalsContact OD2-CB 3.29Å; D165-F371 WeakPolarHBondContact OD2-CB 3.26Å; D165-F371 WeakPolarHBondContact OD2-CG 3.46Å; L254-F371 HydrophobicContact CD1-CB 3.94Å; L254-F371 HydrophobicContact CD1-CD2 3.91Å; L254-F371 HydrophobicContact CD1-CG 4.43Å; P344-F371 HydrophobicContact CG-CE1 4.41Å; V364-F371 HydrophobicContact CG1-CE1 4.35Å; C367-F371 HydrophobicContact CB-CB 4.13Å; C367-F371 HydrophobicContact CB-CD1 3.45Å; C367-F371 VanDerWaalsContact CB-CD1 3.45Å; C367-F371 HydrophobicContact CB-CE1 4.15Å; C367-F371 HydrophobicContact CB-CG 4.03Å; S368-F371 PolarHBondContact O-N 2.92Å; S368-F371 VanDerWaalsContact O-N 3.14Å; S368-F371 PolarHBondContact OG-N 3.25Å; P369-F371 VanDerWaalsContact C-N 3.34Å; F371-A374 PolarHBondContact O-N 2.78Å; F371-L375 HydrophobicContact CD1-CD1 4.2Å; F371-L375 HydrophobicContact CE1-CD1 3.4Å; F371-L375 VanDerWaalsContact CE1-CD1 3.4Å; F371-L375 HydrophobicContact CE1-CG 4.14Å; F371-L375 HydrophobicContact CE2-CD1 3.89Å; F371-L375 HydrophobicContact CE2-CG 4.2Å; F371-L375 HydrophobicContact CZ-CD1 3.22Å; F371-L375 HydrophobicContact CZ-CG 3.98Å; F371-L375 PolarHBondContact O-N 3.42Å; F371-L392 HydrophobicContact CE2-CD1 4.3Å; F371-L392 HydrophobicContact CZ-CD1 3.58Å
372	D	97.6	Very high	97.5	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.011	2%	0.024	C	C	.	.	H	α-helix	trans	-55.3	-53.6	173	-96.1	-20.8	0	0	0	110.1	F302 N316 C367 S368 A374 L375 Y376	F302-D372 HydrophobicContact CE1-CB 3.82Å; F302-D372 HydrophobicContact CZ-CB 3.74Å; N316-D372 PolarHBondContact ND2-OD2 2.93Å; C367-D372 VanDerWaalsContact SG-CG 3.54Å; C367-D372 PolarHBondContact SG-OD1 2.76Å; S368-D372 PolarHBondContact O-N 3.02Å; D372-A374 VanDerWaalsContact C-N 3.35Å; D372-A374 PolarHBondContact O-N 2.94Å; D372-L375 PolarHBondContact O-N 3.23Å; D372-Y376 HydrophobicContact CB-CD2 4.27Å; D372-Y376 HydrophobicContact CB-CE2 3.82Å; D372-Y376 WeakPolarHBondContact O-CB 3.41Å; D372-Y376 WeakPolarHBondContact O-CD2 3.33Å; D372-Y376 VanDerWaalsContact O-CG 3.23Å; D372-Y376 PolarHBondContact O-N 2.52Å; D372-Y376 PolarHBondContact OD1-OH 3.43Å; D372-Y376 VanDerWaalsContact OD1-OH 3.1Å
373	L	98.6	Very high	97.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.2	-44	-177.7	-175.2	68.5	0	0	0	111.8	F244 L245 T248 M249 W282 F302 P369 S377	F244-L373 HydrophobicContact CD1-CD2 4.47Å; F244-L373 HydrophobicContact CE1-CD1 4.38Å; F244-L373 HydrophobicContact CE1-CD2 3.77Å; F244-L373 HydrophobicContact CZ-CD2 4.25Å; L245-L373 HydrophobicContact CD2-CD2 4.01Å; T248-L373 WeakPolarHBondContact OG1-CD2 3.36Å; M249-L373 HydrophobicContact CE-CB 4.02Å; M249-L373 HydrophobicContact CE-CD2 3.74Å; M249-L373 HydrophobicContact CE-CG 3.99Å; M249-L373 HydrophobicContact CG-CD2 4.12Å; M249-L373 HydrophobicContact SD-CD2 4.49Å; W282-L373 HydrophobicContact CD2-CD1 3.66Å; W282-L373 VanDerWaalsContact CE2-CD1 3.46Å; W282-L373 HydrophobicContact CE3-CD1 4.19Å; W282-L373 HydrophobicContact CG-CD1 3.98Å; W282-L373 HydrophobicContact CH2-CD1 4.35Å; W282-L373 HydrophobicContact CZ2-CD1 3.85Å; F302-L373 HydrophobicContact CE2-CD1 4.49Å; F302-L373 HydrophobicContact CZ-CB 4.38Å; P369-L373 WeakPolarHBondContact O-CB 3.39Å; P369-L373 PolarHBondContact O-N 2.96Å; L373-S377 WeakPolarHBondContact O-CB 3.14Å; L373-S377 PolarHBondContact O-N 3.35Å; L373-S377 PolarHBondContact O-OG 3.21Å
374	A	98.7	Very high	97.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.4	-49.8	-178.9	0	0	0	0	0	112.5	L161 M249 L254 L258 E370 F371 D372 S377 L378	L161-A374 HydrophobicContact CD1-CB 4.41Å; M249-A374 HydrophobicContact CE-CB 4Å; L254-A374 HydrophobicContact CD2-CB 3.4Å; L258-A374 HydrophobicContact CD2-CB 3.71Å; E370-A374 WeakPolarHBondContact O-CB 3.5Å; E370-A374 PolarHBondContact O-N 3.11Å; F371-A374 PolarHBondContact O-N 2.78Å; D372-A374 VanDerWaalsContact C-N 3.35Å; D372-A374 PolarHBondContact O-N 2.94Å; A374-S377 PolarHBondContact O-N 3.19Å; A374-L378 WeakPolarHBondContact O-CB 3.29Å; A374-L378 PolarHBondContact O-N 3.25Å
375	L	98.3	Very high	97.1	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-67.6	-41.5	-177.7	-73.3	-163.9	0	0	0	112.2	L161 F371 D372 S377 C379 L390 F397 I399	L161-L375 HydrophobicContact CD1-CD2 3.81Å; F371-L375 HydrophobicContact CD1-CD1 4.2Å; F371-L375 HydrophobicContact CE1-CD1 3.4Å; F371-L375 VanDerWaalsContact CE1-CD1 3.4Å; F371-L375 HydrophobicContact CE1-CG 4.14Å; F371-L375 HydrophobicContact CE2-CD1 3.89Å; F371-L375 HydrophobicContact CE2-CG 4.2Å; F371-L375 HydrophobicContact CZ-CD1 3.22Å; F371-L375 HydrophobicContact CZ-CG 3.98Å; F371-L375 PolarHBondContact O-N 3.42Å; D372-L375 PolarHBondContact O-N 3.23Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 2.94Å; L375-C379 WeakPolarHBondContact O-CB 3.42Å; L375-C379 PolarHBondContact O-N 2.73Å; L375-C379 PolarHBondContact O-SG 2.78Å; L375-C379 VanDerWaalsContact O-SG 3.41Å; L375-L390 HydrophobicContact CD1-CD1 4.44Å; L375-L390 HydrophobicContact CD2-CD2 4.35Å; L375-F397 HydrophobicContact CD1-CD1 4.42Å; L375-F397 HydrophobicContact CD1-CE1 3.9Å; L375-I399 HydrophobicContact CB-CD1 3.78Å; L375-I399 HydrophobicContact CD1-CD1 4.39Å
376	Y	98.6	Very high	96.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-40.6	175.4	-62.4	-35.8	0	0	0	111.4	W282 I301 F302 D372 C379 Y380 I399 A419	W282-Y376 VanDerWaalsContact CH2-CB 3.49Å; W282-Y376 HydrophobicContact CH2-CD2 4Å; W282-Y376 HydrophobicContact CH2-CG 4.17Å; I301-Y376 HydrophobicContact CG2-CD2 4.14Å; I301-Y376 HydrophobicContact CG2-CE2 4.1Å; F302-Y376 HydrophobicContact CE2-CD2 4.48Å; F302-Y376 HydrophobicContact CZ-CD2 4.5Å; D372-Y376 HydrophobicContact CB-CD2 4.27Å; D372-Y376 HydrophobicContact CB-CE2 3.82Å; D372-Y376 WeakPolarHBondContact O-CB 3.41Å; D372-Y376 WeakPolarHBondContact O-CD2 3.33Å; D372-Y376 VanDerWaalsContact O-CG 3.23Å; D372-Y376 PolarHBondContact O-N 2.52Å; D372-Y376 PolarHBondContact OD1-OH 3.43Å; D372-Y376 VanDerWaalsContact OD1-OH 3.1Å; Y376-C379 PolarHBondContact O-N 2.9Å; Y376-Y380 WeakPolarHBondContact O-CB 3.36Å; Y376-Y380 PolarHBondContact O-N 3.39Å; Y376-I399 HydrophobicContact CD1-CD1 3.72Å; Y376-I399 HydrophobicContact CD1-CG1 4.4Å; Y376-I399 HydrophobicContact CD1-CG2 3.82Å; Y376-I399 HydrophobicContact CE1-CD1 3.79Å; Y376-I399 HydrophobicContact CE1-CG1 4.24Å; Y376-I399 HydrophobicContact CE1-CG2 4.22Å; Y376-A419 HydrophobicContact CD1-CB 3.58Å; Y376-A419 HydrophobicContact CD2-CB 4.29Å; Y376-A419 HydrophobicContact CE1-CB 4.31Å; Y376-A419 HydrophobicContact CG-CB 3.61Å
377	S	98.5	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-49.4	176.4	-59.7	0	0	0	0	111.8	L278 W282 L373 A374 L375 C379 Y380 I381	L278-S377 WeakPolarHBondContact CD2-OG 3.24Å; W282-S377 PolarHBondContact NE1-OG 3.25Å; L373-S377 WeakPolarHBondContact O-CB 3.14Å; L373-S377 PolarHBondContact O-N 3.35Å; L373-S377 PolarHBondContact O-OG 3.21Å; A374-S377 PolarHBondContact O-N 3.19Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 2.94Å; S377-C379 VanDerWaalsContact C-N 3.29Å; S377-C379 PolarHBondContact O-N 3.22Å; S377-Y380 PolarHBondContact O-N 2.88Å; S377-I381 VanDerWaalsContact O-CB 3.32Å; S377-I381 WeakPolarHBondContact O-CB 3.28Å; S377-I381 WeakPolarHBondContact O-CD1 3.37Å; S377-I381 WeakPolarHBondContact O-CG1 3.4Å; S377-I381 PolarHBondContact O-N 3.08Å
378	L	98.4	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-52.9	-49.1	176.1	172.9	62.3	0	0	0	111.1	L157 L258 F261 L262 A374 I381 A382 L390	L157-L378 HydrophobicContact CD2-CD1 3.81Å; L157-L378 HydrophobicContact CD2-CD2 3.7Å; L157-L378 HydrophobicContact CD2-CG 4.38Å; L157-L378 HydrophobicContact CG-CD2 4.2Å; L258-L378 HydrophobicContact CD1-CB 3.96Å; L258-L378 HydrophobicContact CD1-CD1 4.15Å; L258-L378 HydrophobicContact CD1-CG 4.5Å; F261-L378 HydrophobicContact CE1-CD1 4.29Å; L262-L378 HydrophobicContact CD2-CD1 4.48Å; A374-L378 WeakPolarHBondContact O-CB 3.29Å; A374-L378 PolarHBondContact O-N 3.25Å; L378-I381 PolarHBondContact O-N 3.17Å; L378-A382 WeakPolarHBondContact O-CB 2.93Å; L378-A382 PolarHBondContact O-N 2.77Å; L378-L390 HydrophobicContact CD2-CD2 4.4Å
379	C	98.3	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.8	-38.1	-178.5	-76.2	0	0	0	0	113	L375 Y376 S377 R383 C388 I399 T401	L375-C379 WeakPolarHBondContact O-CB 3.42Å; L375-C379 PolarHBondContact O-N 2.73Å; L375-C379 PolarHBondContact O-SG 2.78Å; L375-C379 VanDerWaalsContact O-SG 3.41Å; Y376-C379 PolarHBondContact O-N 2.9Å; S377-C379 VanDerWaalsContact C-N 3.29Å; S377-C379 PolarHBondContact O-N 3.22Å; C379-R383 CarbonylContact O-C 3.55Å; C379-R383 VanDerWaalsContact O-C 3.24Å; C379-R383 VanDerWaalsContact O-CA 3.29Å; C379-R383 WeakPolarHBondContact O-CA 3.29Å; C379-R383 WeakPolarHBondContact O-CB 3.45Å; C379-R383 PolarHBondContact O-N 2.96Å; C379-C388 WeakPolarHBondContact CA-SG 3.3Å; C379-C388 HydrophobicContact CB-CB 3.37Å; C379-C388 WeakPolarHBondContact CB-SG 3.42Å; C379-C388 WeakPolarHBondContact SG-CB 3.48Å; C379-C388 CovalentContact SG-SG 2.04Å; C379-C388 PolarHBondContact SG-SG 2.92Å; C379-I399 HydrophobicContact CB-CB 4.38Å; C379-I399 HydrophobicContact CB-CG2 4.04Å; C379-T401 HydrophobicContact CB-CG2 3.95Å
380	Y	97.8	Very high	96.2	Very high	14 Å²	14	26.8 Å²	26.8	6%	0.055	13%	0.132	C	C	.	.	H	α-helix	trans	-68.4	-42.2	176.6	-175.6	-112	0	0	0	111.8	M281 Y376 S377 P384 T403 K414 Y415 I416	M281-Y380 HydrophobicContact CE-CD1 3.98Å; M281-Y380 HydrophobicContact CE-CE1 4.32Å; M281-Y380 HydrophobicContact CG-CD1 3.98Å; M281-Y380 HydrophobicContact CG-CE1 4.02Å; M281-Y380 HydrophobicContact SD-CD1 3.54Å; M281-Y380 VanDerWaalsContact SD-CD1 3.54Å; M281-Y380 HydrophobicContact SD-CE1 4.13Å; Y376-Y380 WeakPolarHBondContact O-CB 3.36Å; Y376-Y380 PolarHBondContact O-N 3.39Å; S377-Y380 PolarHBondContact O-N 2.88Å; Y380-P384 HydrophobicContact CD2-CB 4.31Å; Y380-P384 HydrophobicContact CE2-CB 4.12Å; Y380-P384 VanDerWaalsContact O-CA 3.32Å; Y380-P384 WeakPolarHBondContact O-CA 2.93Å; Y380-P384 WeakPolarHBondContact O-CB 3.35Å; Y380-P384 VanDerWaalsContact O-CD 3.24Å; Y380-P384 WeakPolarHBondContact O-CD 3.3Å; Y380-T403 WeakPolarHBondContact CE2-OG1 3.24Å; Y380-T403 WeakPolarHBondContact OH-CG2 3.01Å; Y380-K414 PolarHBondContact OH-O 3.01Å; Y380-K414 VanDerWaalsContact OH-O 3.08Å; Y380-Y415 PolarHBondContact OH-O 2.82Å; Y380-I416 HydrophobicContact CD1-CB 4.05Å; Y380-I416 HydrophobicContact CD1-CD1 4.45Å; Y380-I416 HydrophobicContact CD1-CG1 4.32Å; Y380-I416 HydrophobicContact CD2-CB 4.24Å; Y380-I416 HydrophobicContact CD2-CD1 4.21Å; Y380-I416 HydrophobicContact CD2-CG1 3.79Å; Y380-I416 HydrophobicContact CE1-CB 4.12Å; Y380-I416 HydrophobicContact CE2-CB 4.31Å; Y380-I416 HydrophobicContact CE2-CG1 4.21Å; Y380-I416 HydrophobicContact CG-CB 4.1Å; Y380-I416 HydrophobicContact CG-CD1 3.88Å; Y380-I416 HydrophobicContact CG-CG1 3.85Å
381	I	96.2	Very high	96.1	Very high	36 Å²	36	27.9 Å²	27.9	19%	0.185	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-46.4	178	-69	163.8	0	0	0	110.8	L262 V267 Y268 M281 S377 L378	L262-I381 HydrophobicContact CD1-CD1 3.96Å; L262-I381 HydrophobicContact CD2-CG2 4.13Å; V267-I381 HydrophobicContact CG1-CG2 3.79Å; Y268-I381 HydrophobicContact CE2-CD1 4.03Å; Y268-I381 WeakPolarHBondContact OH-CD1 3.1Å; M281-I381 HydrophobicContact CE-CD1 4.2Å; M281-I381 HydrophobicContact CE-CG1 3.82Å; S377-I381 VanDerWaalsContact O-CB 3.32Å; S377-I381 WeakPolarHBondContact O-CB 3.28Å; S377-I381 WeakPolarHBondContact O-CD1 3.37Å; S377-I381 WeakPolarHBondContact O-CG1 3.4Å; S377-I381 PolarHBondContact O-N 3.08Å; L378-I381 PolarHBondContact O-N 3.17Å
382	A	95.1	Very high	95.9	Very high	17 Å²	17	27.9 Å²	27.9	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-83.4	-30.8	-174.6	0	0	0	0	0	113.5	I149 I154 L378	I149-A382 HydrophobicContact CB-CB 4.11Å; I149-A382 HydrophobicContact CD1-CB 4.03Å; I149-A382 HydrophobicContact CG2-CB 4Å; I154-A382 HydrophobicContact CD1-CB 3.86Å; I154-A382 HydrophobicContact CG1-CB 4.46Å; L378-A382 WeakPolarHBondContact O-CB 2.93Å; L378-A382 PolarHBondContact O-N 2.77Å
383	R	94.3	Very high	95.6	Very high	42 Å²	42	29.8 Å²	29.8	16%	0.158	16%	0.16	C	C	.	.	S	Bend	trans	-142.4	57.5	-171	-61.8	-65.6	-179.2	-83.7	-3.4	111.3	I149 D151 I154 C379 G385 K386 C388 T401	I149-R383 VanDerWaalsContact O-CZ 3.24Å; I149-R383 PolarHBondContact O-NH1 3.24Å; I149-R383 PolarHBondContact O-NH2 2.85Å; D151-R383 IonicContact OD1-CZ 3.88Å; D151-R383 IonicContact OD1-NE 3.14Å; D151-R383 PolarHBondContact OD1-NE 2.96Å; D151-R383 IonicContact OD1-NH2 3.08Å; D151-R383 PolarHBondContact OD1-NH2 2.86Å; I154-R383 HydrophobicContact CD1-CG 4.1Å; C379-R383 CarbonylContact O-C 3.55Å; C379-R383 VanDerWaalsContact O-C 3.24Å; C379-R383 VanDerWaalsContact O-CA 3.29Å; C379-R383 WeakPolarHBondContact O-CA 3.29Å; C379-R383 WeakPolarHBondContact O-CB 3.45Å; C379-R383 PolarHBondContact O-N 2.96Å; R383-G385 PolarHBondContact O-N 2.85Å; R383-K386 HydrophobicContact CB-CB 4.29Å; R383-K386 PolarHBondContact O-N 2.77Å; R383-C388 HydrophobicContact CB-CB 4.3Å; R383-C388 HydrophobicContact CG-CB 4.49Å; R383-T401 PolarHBondContact O-OG1 3.48Å
384	P	92.6	Very high	95.4	Very high	67 Å²	67	32.6 Å²	32.6	44%	0.435	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	125.4	-176.8	24.4	-33.1	0	0	0	110.9	Y380 K386	Y380-P384 HydrophobicContact CD2-CB 4.31Å; Y380-P384 HydrophobicContact CE2-CB 4.12Å; Y380-P384 VanDerWaalsContact O-CA 3.32Å; Y380-P384 WeakPolarHBondContact O-CA 2.93Å; Y380-P384 WeakPolarHBondContact O-CB 3.35Å; Y380-P384 VanDerWaalsContact O-CD 3.24Å; Y380-P384 WeakPolarHBondContact O-CD 3.3Å; P384-K386 PolarHBondContact O-N 3.39Å
385	G	89.8	Confident	95.1	Very high	34 Å²	34	37.4 Å²	37.4	35%	0.351	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	0.7	178.4	0	0	0	0	0	115.3	R383 Q400 T401	R383-G385 PolarHBondContact O-N 2.85Å; G385-Q400 PolarHBondContact O-NE2 3.09Å; G385-Q400 VanDerWaalsContact O-NE2 3.11Å; G385-T401 CarbonylContact C-O 3.57Å; G385-T401 WeakPolarHBondContact CA-O 3.35Å; G385-T401 PolarHBondContact N-OG1 3.38Å
386	K	89.9	Confident	94.9	Very high	140 Å²	140	42.1 Å²	42.1	61%	0.609	23%	0.232	S	C	*	.	S	Bend	trans	-117.4	163.3	-175.3	-63.9	179.5	-176.7	176.4	0	111.3	R383 P384 C388	R383-K386 HydrophobicContact CB-CB 4.29Å; R383-K386 PolarHBondContact O-N 2.77Å; P384-K386 PolarHBondContact O-N 3.39Å; K386-C388 PolarHBondContact O-N 3.46Å
387	Y	93.1	Very high	94.7	Very high	119 Å²	119	42.2 Å²	42.2	47%	0.467	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	128.6	167.1	-68.7	-36.9	0	0	0	110.4	I398 Q400 V422	Y387-I398 HydrophobicContact CD1-CG2 3.99Å; Y387-I398 HydrophobicContact CG-CG2 4.15Å; Y387-Q400 HydrophobicContact CD1-CB 4.05Å; Y387-Q400 HydrophobicContact CD1-CG 4.47Å; Y387-Q400 HydrophobicContact CE1-CB 4.07Å; Y387-Q400 HydrophobicContact CE1-CG 4.31Å; Y387-V422 HydrophobicContact CD1-CG2 4.11Å; Y387-V422 HydrophobicContact CE1-CG2 3.9Å
388	C	96.7	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.7	174.4	-179.7	0	0	0	0	108.1	C379 R383 K386 I398 I399	C379-C388 WeakPolarHBondContact CA-SG 3.3Å; C379-C388 HydrophobicContact CB-CB 3.37Å; C379-C388 WeakPolarHBondContact CB-SG 3.42Å; C379-C388 WeakPolarHBondContact SG-CB 3.48Å; C379-C388 CovalentContact SG-SG 2.04Å; C379-C388 PolarHBondContact SG-SG 2.92Å; R383-C388 HydrophobicContact CB-CB 4.3Å; R383-C388 HydrophobicContact CG-CB 4.49Å; K386-C388 PolarHBondContact O-N 3.46Å; C388-I398 WeakPolarHBondContact O-CA 3.36Å; C388-I399 HydrophobicContact CB-CB 4.46Å; C388-I399 WeakPolarHBondContact CB-O 3.41Å; C388-I399 PolarHBondContact N-O 3.18Å; C388-I399 PolarHBondContact O-N 2.92Å
389	Y	94.4	Very high	94.5	Very high	84 Å²	84	43 Å²	43	33%	0.329	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.2	-177.3	-62.9	-89.2	0	0	0	110.1	I154 K155 I398	I154-Y389 WeakPolarHBondContact CG2-O 3.48Å; K155-Y389 WeakPolarHBondContact CG-O 3.3Å; Y389-I398 HydrophobicContact CD1-CD1 3.73Å; Y389-I398 HydrophobicContact CD1-CG1 3.73Å; Y389-I398 HydrophobicContact CE1-CD1 3.53Å; Y389-I398 HydrophobicContact CE1-CG1 4.05Å
390	L	97.2	Very high	94.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	172.1	-177.1	-58.9	154	0	0	0	109.7	I154 S158 L375 L378 F397 I399	I154-L390 HydrophobicContact CG2-CD2 3.43Å; I154-L390 VanDerWaalsContact CG2-CD2 3.43Å; I154-L390 HydrophobicContact CG2-CG 4.22Å; S158-L390 VanDerWaalsContact CB-CD2 3.48Å; L375-L390 HydrophobicContact CD1-CD1 4.44Å; L375-L390 HydrophobicContact CD2-CD2 4.35Å; L378-L390 HydrophobicContact CD2-CD2 4.4Å; L390-F397 CarbonylContact C-O 3.5Å; L390-F397 WeakPolarHBondContact CA-O 3.49Å; L390-F397 HydrophobicContact CB-CB 4.16Å; L390-F397 HydrophobicContact CB-CD1 3.9Å; L390-F397 HydrophobicContact CB-CG 4.46Å; L390-F397 WeakPolarHBondContact CB-O 3.48Å; L390-F397 HydrophobicContact CD1-CD1 3.51Å; L390-F397 HydrophobicContact CD1-CE1 3.76Å; L390-F397 HydrophobicContact CD1-CG 4.49Å; L390-F397 HydrophobicContact CG-CD1 4.38Å; L390-F397 PolarHBondContact N-O 2.99Å; L390-F397 PolarHBondContact O-N 2.94Å; L390-F397 VanDerWaalsContact O-O 3.08Å; L390-I399 HydrophobicContact CD1-CB 4.08Å; L390-I399 HydrophobicContact CD1-CD1 3.39Å; L390-I399 HydrophobicContact CD1-CG1 3.56Å
391	S	95.5	Very high	94.3	Very high	24 Å²	24	42.9 Å²	42.9	17%	0.168	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.2	167.6	-168.4	0	0	0	0	109.4	S158 E159 K395	S158-S391 CarbonylContact C-O 3.51Å; S158-S391 WeakPolarHBondContact CB-O 3.07Å; S158-S391 PolarHBondContact OG-N 3.21Å; S158-S391 PolarHBondContact OG-O 3.14Å; E159-S391 WeakPolarHBondContact OE1-CB 3.47Å; E159-S391 PolarHBondContact OE1-OG 3.35Å; S391-K395 CarbonylContact C-O 3.45Å; S391-K395 WeakPolarHBondContact CA-O 3.23Å
392	L	93.8	Very high	94.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	110	-179.8	-169.8	70.4	0	0	0	108.7	E159 F162 W340 P344 F371 G394 K395 F397	E159-L392 PolarHBondContact OE1-N 3.03Å; E159-L392 VanDerWaalsContact OE1-N 3.1Å; F162-L392 HydrophobicContact CB-CD1 3.66Å; F162-L392 HydrophobicContact CD1-CD1 4.27Å; F162-L392 HydrophobicContact CD2-CD1 3.17Å; F162-L392 HydrophobicContact CD2-CG 3.97Å; F162-L392 HydrophobicContact CE2-CD1 3.74Å; F162-L392 HydrophobicContact CE2-CG 4.03Å; F162-L392 HydrophobicContact CG-CD1 3.45Å; F162-L392 VanDerWaalsContact CG-CD1 3.45Å; F162-L392 HydrophobicContact CG-CG 4.34Å; W340-L392 HydrophobicContact CD2-CD2 4.33Å; W340-L392 HydrophobicContact CZ2-CB 3.82Å; W340-L392 HydrophobicContact CZ2-CD2 3.89Å; W340-L392 HydrophobicContact CZ2-CG 4.3Å; W340-L392 PolarHBondContact NE1-O 3.36Å; P344-L392 HydrophobicContact CG-CD1 4.44Å; P344-L392 HydrophobicContact CG-CD2 4.23Å; F371-L392 HydrophobicContact CE2-CD1 4.3Å; F371-L392 HydrophobicContact CZ-CD1 3.58Å; L392-G394 PolarHBondContact O-N 3.21Å; L392-K395 PolarHBondContact N-O 2.81Å; L392-K395 WeakPolarHBondContact O-CB 3.45Å; L392-K395 PolarHBondContact O-N 3.46Å; L392-F397 HydrophobicContact CB-CB 4.01Å; L392-F397 HydrophobicContact CB-CG 4.41Å
393	G	92.8	Very high	94.1	Very high	42 Å²	42	47.1 Å²	47.1	43%	0.433	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	34.6	-178.3	0	0	0	0	0	113.1	E159 K395	E159-G393 PolarHBondContact OE1-N 2.84Å; E159-G393 VanDerWaalsContact OE1-N 3.16Å; E159-G393 PolarHBondContact OE2-N 3.34Å; G393-K395 VanDerWaalsContact C-N 3.25Å; G393-K395 PolarHBondContact O-N 2.71Å
394	G	93	Very high	93.9	Very high	60 Å²	60	46.6 Å²	46.6	62%	0.619	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	8.7	-176.9	0	0	0	0	0	114.8	E159 L392	E159-G394 WeakPolarHBondContact OE1-CA 3.28Å; E159-G394 PolarHBondContact OE1-N 2.99Å; L392-G394 PolarHBondContact O-N 3.21Å
395	K	93.8	Very high	93.6	Very high	100 Å²	100	48.4 Å²	48.4	44%	0.435	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.6	174.3	-57.8	-61.5	-176.7	-167.2	0	109.9	P339 W340 S391 L392 G393 F397	P339-K395 HydrophobicContact CB-CD 4.35Å; P339-K395 HydrophobicContact CB-CG 4.43Å; P339-K395 HydrophobicContact CG-CB 4.06Å; P339-K395 HydrophobicContact CG-CD 4.2Å; P339-K395 HydrophobicContact CG-CG 3.93Å; W340-K395 HydrophobicContact CZ2-CB 3.77Å; S391-K395 CarbonylContact C-O 3.45Å; S391-K395 WeakPolarHBondContact CA-O 3.23Å; L392-K395 PolarHBondContact N-O 2.81Å; L392-K395 WeakPolarHBondContact O-CB 3.45Å; L392-K395 PolarHBondContact O-N 3.46Å; G393-K395 VanDerWaalsContact C-N 3.25Å; G393-K395 PolarHBondContact O-N 2.71Å; K395-F397 PolarHBondContact O-N 2.88Å
396	Q	92.8	Very high	93.5	Very high	102 Å²	102	53.1 Å²	53.1	48%	0.477	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	138.1	172.2	-176.6	175.9	43.6	0	0	109.3	I398 M424	Q396-I398 HydrophobicContact CG-CG1 4.3Å; Q396-M424 VanDerWaalsContact C-CE 3.47Å; Q396-M424 HydrophobicContact CB-CE 3.91Å; Q396-M424 HydrophobicContact CB-SD 4.48Å; Q396-M424 HydrophobicContact CG-CE 3.84Å; Q396-M424 HydrophobicContact CG-SD 3.85Å; Q396-M424 WeakPolarHBondContact O-CE 3.46Å
397	F	94.7	Very high	93.3	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139	174.7	178	-127.8	0	0	0	107.7	W340 V346 V364 L375 L390 L392 K395 I399 P421	W340-F397 HydrophobicContact CH2-CB 4.29Å; W340-F397 AromaticContact CH2-CD2 3.97Å; W340-F397 HydrophobicContact CH2-CD2 3.97Å; W340-F397 HydrophobicContact CH2-CG 4.49Å; W340-F397 HydrophobicContact CZ2-CB 4.21Å; V346-F397 HydrophobicContact CG2-CD2 4.09Å; V346-F397 HydrophobicContact CG2-CE2 3.63Å; V364-F397 HydrophobicContact CG2-CE2 4.23Å; V364-F397 HydrophobicContact CG2-CZ 3.63Å; L375-F397 HydrophobicContact CD1-CD1 4.42Å; L375-F397 HydrophobicContact CD1-CE1 3.9Å; L390-F397 CarbonylContact C-O 3.5Å; L390-F397 WeakPolarHBondContact CA-O 3.49Å; L390-F397 HydrophobicContact CB-CB 4.16Å; L390-F397 HydrophobicContact CB-CD1 3.9Å; L390-F397 HydrophobicContact CB-CG 4.46Å; L390-F397 WeakPolarHBondContact CB-O 3.48Å; L390-F397 HydrophobicContact CD1-CD1 3.51Å; L390-F397 HydrophobicContact CD1-CE1 3.76Å; L390-F397 HydrophobicContact CD1-CG 4.49Å; L390-F397 HydrophobicContact CG-CD1 4.38Å; L390-F397 PolarHBondContact N-O 2.99Å; L390-F397 PolarHBondContact O-N 2.94Å; L390-F397 VanDerWaalsContact O-O 3.08Å; L392-F397 HydrophobicContact CB-CB 4.01Å; L392-F397 HydrophobicContact CB-CG 4.41Å; K395-F397 PolarHBondContact O-N 2.88Å; F397-I399 HydrophobicContact CD1-CG1 4.5Å; F397-I399 HydrophobicContact CE1-CD1 3.75Å; F397-I399 HydrophobicContact CE1-CG1 3.75Å; F397-I399 HydrophobicContact CZ-CD1 4.16Å; F397-I399 HydrophobicContact CZ-CG1 3.86Å; F397-P421 HydrophobicContact CE2-CB 3.47Å; F397-P421 VanDerWaalsContact CE2-CB 3.47Å; F397-P421 HydrophobicContact CZ-CB 3.75Å
398	I	95.9	Very high	93.1	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.4	-177.3	-58.3	176.4	0	0	0	108.3	Y387 C388 Y389 Q396 P421 V422 M424	Y387-I398 HydrophobicContact CD1-CG2 3.99Å; Y387-I398 HydrophobicContact CG-CG2 4.15Å; C388-I398 WeakPolarHBondContact O-CA 3.36Å; Y389-I398 HydrophobicContact CD1-CD1 3.73Å; Y389-I398 HydrophobicContact CD1-CG1 3.73Å; Y389-I398 HydrophobicContact CE1-CD1 3.53Å; Y389-I398 HydrophobicContact CE1-CG1 4.05Å; Q396-I398 HydrophobicContact CG-CG1 4.3Å; I398-P421 CarbonylContact O-C 3.4Å; I398-P421 WeakPolarHBondContact O-CA 3.44Å; I398-V422 HydrophobicContact CB-CB 4.04Å; I398-V422 HydrophobicContact CB-CG2 4.26Å; I398-V422 HydrophobicContact CG2-CB 4.04Å; I398-V422 HydrophobicContact CG2-CG2 3.72Å; I398-V422 PolarHBondContact O-N 3.25Å; I398-M424 HydrophobicContact CB-SD 4.41Å; I398-M424 HydrophobicContact CD1-CG 3.89Å; I398-M424 HydrophobicContact CD1-SD 3.3Å; I398-M424 WeakPolarHBondContact CD1-SD 3.17Å; I398-M424 HydrophobicContact CG1-CG 4.28Å; I398-M424 HydrophobicContact CG1-SD 3.56Å; I398-M424 VanDerWaalsContact CG1-SD 3.56Å
399	I	97.7	Very high	92.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.8	168.9	-69.4	176.8	0	0	0	108.2	L375 Y376 C379 C388 L390 F397 T401 Y420	L375-I399 HydrophobicContact CB-CD1 3.78Å; L375-I399 HydrophobicContact CD1-CD1 4.39Å; Y376-I399 HydrophobicContact CD1-CD1 3.72Å; Y376-I399 HydrophobicContact CD1-CG1 4.4Å; Y376-I399 HydrophobicContact CD1-CG2 3.82Å; Y376-I399 HydrophobicContact CE1-CD1 3.79Å; Y376-I399 HydrophobicContact CE1-CG1 4.24Å; Y376-I399 HydrophobicContact CE1-CG2 4.22Å; C379-I399 HydrophobicContact CB-CB 4.38Å; C379-I399 HydrophobicContact CB-CG2 4.04Å; C388-I399 HydrophobicContact CB-CB 4.46Å; C388-I399 WeakPolarHBondContact CB-O 3.41Å; C388-I399 PolarHBondContact N-O 3.18Å; C388-I399 PolarHBondContact O-N 2.92Å; L390-I399 HydrophobicContact CD1-CB 4.08Å; L390-I399 HydrophobicContact CD1-CD1 3.39Å; L390-I399 HydrophobicContact CD1-CG1 3.56Å; F397-I399 HydrophobicContact CD1-CG1 4.5Å; F397-I399 HydrophobicContact CE1-CD1 3.75Å; F397-I399 HydrophobicContact CE1-CG1 3.75Å; F397-I399 HydrophobicContact CZ-CD1 4.16Å; F397-I399 HydrophobicContact CZ-CG1 3.86Å; I399-T401 HydrophobicContact CG2-CG2 3.94Å; I399-Y420 WeakPolarHBondContact CA-O 3.22Å
400	Q	95.8	Very high	92.3	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.6	165.1	175.5	65.7	46.4	0	0	108.1	G385 Y387 Y402 A419 Y420 V422	G385-Q400 PolarHBondContact O-NE2 3.09Å; G385-Q400 VanDerWaalsContact O-NE2 3.11Å; Y387-Q400 HydrophobicContact CD1-CB 4.05Å; Y387-Q400 HydrophobicContact CD1-CG 4.47Å; Y387-Q400 HydrophobicContact CE1-CB 4.07Å; Y387-Q400 HydrophobicContact CE1-CG 4.31Å; Q400-Y402 HydrophobicContact CG-CD2 4.01Å; Q400-Y402 HydrophobicContact CG-CE2 3.33Å; Q400-A419 VanDerWaalsContact O-CA 3.31Å; Q400-A419 WeakPolarHBondContact O-CA 3.32Å; Q400-Y420 HydrophobicContact CB-CE2 4.1Å; Q400-Y420 PolarHBondContact N-O 3.49Å; Q400-Y420 PolarHBondContact O-N 3.11Å; Q400-Y420 VanDerWaalsContact O-N 3.07Å; Q400-V422 HydrophobicContact CB-CG2 3.89Å
401	T	96.3	Very high	91.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	155.2	169.8	67.8	0	0	0	0	110.5	C379 R383 G385 I399 S418 A419	C379-T401 HydrophobicContact CB-CG2 3.95Å; R383-T401 PolarHBondContact O-OG1 3.48Å; G385-T401 CarbonylContact C-O 3.57Å; G385-T401 WeakPolarHBondContact CA-O 3.35Å; G385-T401 PolarHBondContact N-OG1 3.38Å; I399-T401 HydrophobicContact CG2-CG2 3.94Å; T401-S418 CarbonylContact C-O 3.53Å; T401-S418 VanDerWaalsContact CA-O 3.22Å; T401-S418 WeakPolarHBondContact CA-O 3.32Å; T401-A419 HydrophobicContact CG2-CB 4.09Å
402	Y	94	Very high	91	Very high	107 Å²	107	54.9 Å²	54.9	42%	0.42	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.6	173.6	-72.9	-87.7	0	0	0	109.9	Q400 G417 S418 Y420	Q400-Y402 HydrophobicContact CG-CD2 4.01Å; Q400-Y402 HydrophobicContact CG-CE2 3.33Å; Y402-G417 WeakPolarHBondContact O-CA 3.43Å; Y402-G417 PolarHBondContact O-N 2.63Å; Y402-S418 PolarHBondContact N-O 3.31Å; Y402-S418 PolarHBondContact O-N 2.81Å; Y402-Y420 HydrophobicContact CD2-CE1 4.15Å; Y402-Y420 AromaticContact CE2-CE1 3.71Å; Y402-Y420 HydrophobicContact CE2-CE1 3.71Å; Y402-Y420 AromaticContact CE2-CZ 3.91Å; Y402-Y420 WeakPolarHBondContact CE2-OH 3.29Å
403	T	92.4	Very high	90.8	Very high	35 Å²	35	58.5 Å²	58.5	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.4	175.2	-59.6	0	0	0	0	109.9	Y380 D405 K414	Y380-T403 WeakPolarHBondContact CE2-OG1 3.24Å; Y380-T403 WeakPolarHBondContact OH-CG2 3.01Å; T403-D405 VanDerWaalsContact CG2-OD1 3.24Å; T403-D405 WeakPolarHBondContact CG2-OD1 3.49Å; T403-K414 HydrophobicContact CG2-CB 3.35Å; T403-K414 HydrophobicContact CG2-CG 3.83Å
404	W	90.1	Very high	90.7	Very high	32 Å²	32	59.7 Å²	59.7	12%	0.121	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.9	164.4	-178.4	-97.7	0	0	0	110.2	Y286 S287 R288 N406 S407 Y415	Y286-W404 HydrophobicContact CD1-CG 4.46Å; Y286-W404 HydrophobicContact CD2-CB 4.33Å; Y286-W404 AromaticContact CD2-CD1 3.69Å; Y286-W404 AromaticContact CD2-CD2 3.37Å; Y286-W404 HydrophobicContact CD2-CD2 3.37Å; Y286-W404 AromaticContact CD2-CE2 3.49Å; Y286-W404 VanDerWaalsContact CD2-CE2 3.49Å; Y286-W404 AromaticContact CD2-CE3 3.93Å; Y286-W404 HydrophobicContact CD2-CE3 3.93Å; Y286-W404 AromaticContact CD2-CG 3.53Å; Y286-W404 HydrophobicContact CD2-CG 3.53Å; Y286-W404 HydrophobicContact CD2-CZ2 4.15Å; Y286-W404 AromaticContact CD2-NE1 3.64Å; Y286-W404 HydrophobicContact CE2-CB 4.2Å; Y286-W404 AromaticContact CE2-CD2 3.64Å; Y286-W404 HydrophobicContact CE2-CD2 3.64Å; Y286-W404 AromaticContact CE2-CE3 3.81Å; Y286-W404 HydrophobicContact CE2-CE3 3.81Å; Y286-W404 AromaticContact CE2-CG 3.8Å; Y286-W404 HydrophobicContact CE2-CG 3.8Å; Y286-W404 HydrophobicContact CE2-CZ3 4.5Å; Y286-W404 AromaticContact CG-CD1 3.67Å; Y286-W404 HydrophobicContact CG-CD2 4.16Å; Y286-W404 AromaticContact CG-CG 3.89Å; Y286-W404 HydrophobicContact CG-CG 3.89Å; Y286-W404 AromaticContact CG-NE1 3.8Å; S287-W404 VanDerWaalsContact O-CH2 3.27Å; S287-W404 WeakPolarHBondContact O-CH2 3.24Å; S287-W404 WeakPolarHBondContact O-CZ2 3.49Å; R288-W404 HydrophobicContact CB-CH2 4.44Å; R288-W404 HydrophobicContact CG-CE3 4.45Å; R288-W404 HydrophobicContact CG-CH2 4.04Å; R288-W404 HydrophobicContact CG-CZ3 3.88Å; W404-N406 WeakPolarHBondContact CH2-ND2 3.44Å; W404-N406 HydrophobicContact CZ2-CB 3.64Å; W404-N406 WeakPolarHBondContact CZ2-ND2 3.39Å; W404-S407 VanDerWaalsContact CD1-OG 3.24Å; W404-S407 PolarHBondContact NE1-OG 3.08Å; W404-S407 VanDerWaalsContact NE1-OG 3.09Å; W404-Y415 PolarHBondContact N-O 3.11Å
405	D	86.8	Confident	90.7	Very high	105 Å²	105	58 Å²	58	56%	0.561	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	-16.2	-171.5	-71.5	-53	0	0	0	114.9	T403 S407 K414	T403-D405 VanDerWaalsContact CG2-OD1 3.24Å; T403-D405 WeakPolarHBondContact CG2-OD1 3.49Å; D405-S407 VanDerWaalsContact C-N 3.27Å; D405-S407 PolarHBondContact O-N 2.72Å; D405-K414 PolarHBondContact O-NZ 3.16Å
406	N	86.3	Confident	90.7	Very high	133 Å²	133	53.2 Å²	53.2	71%	0.711	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	-12.4	-170.8	-60.3	-34.8	0	0	0	114.3	W404	W404-N406 WeakPolarHBondContact CH2-ND2 3.44Å; W404-N406 HydrophobicContact CZ2-CB 3.64Å; W404-N406 WeakPolarHBondContact CZ2-ND2 3.39Å
407	S	87.1	Confident	90.7	Very high	37 Å²	37	48.5 Å²	48.5	26%	0.259	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	175.2	175	56.7	0	0	0	0	110.2	W404 D405 K414 Y415	W404-S407 VanDerWaalsContact CD1-OG 3.24Å; W404-S407 PolarHBondContact NE1-OG 3.08Å; W404-S407 VanDerWaalsContact NE1-OG 3.09Å; D405-S407 VanDerWaalsContact C-N 3.27Å; D405-S407 PolarHBondContact O-N 2.72Å; S407-K414 WeakPolarHBondContact O-CD 3.46Å; S407-K414 PolarHBondContact O-NZ 2.86Å; S407-K414 VanDerWaalsContact O-NZ 3.1Å; S407-Y415 WeakPolarHBondContact OG-CE2 3.47Å
408	S	89.1	Confident	90.7	Very high	60 Å²	60	48.9 Å²	48.9	42%	0.42	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.5	176.8	51.4	0	0	0	0	110.8	K413 Y415	S408-K413 CarbonylContact C-O 3.35Å; S408-K413 WeakPolarHBondContact CA-O 3.32Å; S408-K413 WeakPolarHBondContact CB-O 3.32Å; S408-Y415 PolarHBondContact O-OH 3.13Å
409	Y	89.3	Confident	90.8	Very high	19 Å²	19	48.1 Å²	48.1	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	160.2	169	59.3	-86.8	0	0	0	110.8	D277 N280 N411 G412 K413 K414 Y415	D277-Y409 WeakPolarHBondContact OD1-CE2 3.42Å; N280-Y409 HydrophobicContact CB-CD1 4.42Å; N280-Y409 HydrophobicContact CB-CD2 3.38Å; N280-Y409 HydrophobicContact CB-CE2 3.55Å; N280-Y409 HydrophobicContact CB-CG 3.86Å; Y409-N411 PolarHBondContact O-N 3.49Å; Y409-G412 PolarHBondContact O-N 2.97Å; Y409-K413 HydrophobicContact CD1-CB 4.46Å; Y409-K413 HydrophobicContact CD2-CB 4.06Å; Y409-K413 HydrophobicContact CE1-CB 4.08Å; Y409-K413 HydrophobicContact CE2-CB 3.6Å; Y409-K413 HydrophobicContact CE2-CD 3.9Å; Y409-K413 HydrophobicContact CE2-CG 4.38Å; Y409-K413 HydrophobicContact CG-CB 4.46Å; Y409-K413 PolarHBondContact N-O 2.72Å; Y409-K413 PolarHBondContact O-N 3.18Å; Y409-K414 VanDerWaalsContact CE1-C 3.44Å; Y409-K414 WeakPolarHBondContact CE1-O 3.47Å; Y409-K414 PolarHBondContact OH-O 2.98Å; Y409-Y415 WeakPolarHBondContact CB-OH 3.32Å; Y409-Y415 AromaticContact CD1-CD1 3.5Å; Y409-Y415 HydrophobicContact CD1-CD1 3.5Å; Y409-Y415 HydrophobicContact CD1-CD2 4.11Å; Y409-Y415 AromaticContact CD1-CE1 3.3Å; Y409-Y415 HydrophobicContact CD1-CE1 3.3Å; Y409-Y415 AromaticContact CD1-CE2 3.95Å; Y409-Y415 HydrophobicContact CD1-CE2 3.95Å; Y409-Y415 AromaticContact CD1-CG 3.91Å; Y409-Y415 HydrophobicContact CD1-CG 3.91Å; Y409-Y415 AromaticContact CD1-CZ 3.58Å; Y409-Y415 AromaticContact CE1-CD1 3.78Å; Y409-Y415 HydrophobicContact CE1-CD1 3.78Å; Y409-Y415 HydrophobicContact CE1-CE1 4.06Å; Y409-Y415 HydrophobicContact CE1-CG 4.07Å; Y409-Y415 AromaticContact CG-CE1 4Å; Y409-Y415 HydrophobicContact CG-CE1 4Å
410	G	83.3	Confident	90.7	Very high	74 Å²	74	50.9 Å²	50.9	76%	0.763	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-126.8	178.9	0	0	0	0	0	112.3	G412	G410-G412 PolarHBondContact O-N 3.12Å
411	N	81.3	Confident	90.7	Very high	170 Å²	170	50.3 Å²	50.3	91%	0.909	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	40.6	-176.9	-60.9	-25.7	0	0	0	113.5	Y409	Y409-N411 PolarHBondContact O-N 3.49Å
412	G	85.6	Confident	90.6	Very high	44 Å²	44	51.8 Å²	51.8	45%	0.454	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	12.1	-179.7	0	0	0	0	0	115	Y409 G410	Y409-G412 PolarHBondContact O-N 2.97Å; G410-G412 PolarHBondContact O-N 3.12Å
413	K	88.1	Confident	90.2	Very high	77 Å²	77	47.9 Å²	47.9	34%	0.335	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	152.4	174.6	-69.7	-172.8	178.3	-175.4	0	111	D277 S408 Y409	D277-K413 WeakPolarHBondContact OD1-CD 3.26Å; D277-K413 WeakPolarHBondContact OD1-CE 3.32Å; D277-K413 IonicContact OD1-NZ 2.79Å; D277-K413 PolarHBondContact OD1-NZ 3.11Å; D277-K413 IonicContact OD2-NZ 2.74Å; D277-K413 PolarHBondContact OD2-NZ 2.82Å; S408-K413 CarbonylContact C-O 3.35Å; S408-K413 WeakPolarHBondContact CA-O 3.32Å; S408-K413 WeakPolarHBondContact CB-O 3.32Å; Y409-K413 HydrophobicContact CD1-CB 4.46Å; Y409-K413 HydrophobicContact CD2-CB 4.06Å; Y409-K413 HydrophobicContact CE1-CB 4.08Å; Y409-K413 HydrophobicContact CE2-CB 3.6Å; Y409-K413 HydrophobicContact CE2-CD 3.9Å; Y409-K413 HydrophobicContact CE2-CG 4.38Å; Y409-K413 HydrophobicContact CG-CB 4.46Å; Y409-K413 PolarHBondContact N-O 2.72Å; Y409-K413 PolarHBondContact O-N 3.18Å
414	K	91	Very high	89	Confident	68 Å²	68	48.4 Å²	48.4	30%	0.296	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	151.5	-177.1	-59.1	-62.6	-175.1	171.7	0	111.3	Y380 T403 D405 S407 Y409	Y380-K414 PolarHBondContact OH-O 3.01Å; Y380-K414 VanDerWaalsContact OH-O 3.08Å; T403-K414 HydrophobicContact CG2-CB 3.35Å; T403-K414 HydrophobicContact CG2-CG 3.83Å; D405-K414 PolarHBondContact O-NZ 3.16Å; S407-K414 WeakPolarHBondContact O-CD 3.46Å; S407-K414 PolarHBondContact O-NZ 2.86Å; S407-K414 VanDerWaalsContact O-NZ 3.1Å; Y409-K414 VanDerWaalsContact CE1-C 3.44Å; Y409-K414 WeakPolarHBondContact CE1-O 3.47Å; Y409-K414 PolarHBondContact OH-O 2.98Å
415	Y	92.6	Very high	87.7	Confident	23 Å²	23	60 Å²	60	9%	0.09	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	150.1	179.6	-52.6	-91.6	0	0	0	110.5	N280 Y286 Y380 W404 S407 S408 Y409 G417	N280-Y415 VanDerWaalsContact O-CD1 3.26Å; N280-Y415 WeakPolarHBondContact O-CD1 3.06Å; N280-Y415 WeakPolarHBondContact O-CE1 2.93Å; Y286-Y415 HydrophobicContact CD1-CD1 4.09Å; Y286-Y415 HydrophobicContact CD1-CD2 4.1Å; Y286-Y415 AromaticContact CD1-CG 3.72Å; Y286-Y415 HydrophobicContact CD1-CG 3.72Å; Y286-Y415 HydrophobicContact CE1-CG 4.25Å; Y380-Y415 PolarHBondContact OH-O 2.82Å; W404-Y415 PolarHBondContact N-O 3.11Å; S407-Y415 WeakPolarHBondContact OG-CE2 3.47Å; S408-Y415 PolarHBondContact O-OH 3.13Å; Y409-Y415 WeakPolarHBondContact CB-OH 3.32Å; Y409-Y415 AromaticContact CD1-CD1 3.5Å; Y409-Y415 HydrophobicContact CD1-CD1 3.5Å; Y409-Y415 HydrophobicContact CD1-CD2 4.11Å; Y409-Y415 AromaticContact CD1-CE1 3.3Å; Y409-Y415 HydrophobicContact CD1-CE1 3.3Å; Y409-Y415 AromaticContact CD1-CE2 3.95Å; Y409-Y415 HydrophobicContact CD1-CE2 3.95Å; Y409-Y415 AromaticContact CD1-CG 3.91Å; Y409-Y415 HydrophobicContact CD1-CG 3.91Å; Y409-Y415 AromaticContact CD1-CZ 3.58Å; Y409-Y415 AromaticContact CE1-CD1 3.78Å; Y409-Y415 HydrophobicContact CE1-CD1 3.78Å; Y409-Y415 HydrophobicContact CE1-CE1 4.06Å; Y409-Y415 HydrophobicContact CE1-CG 4.07Å; Y409-Y415 AromaticContact CG-CE1 4Å; Y409-Y415 HydrophobicContact CG-CE1 4Å; Y415-G417 PolarHBondContact O-N 2.79Å
416	I	95.2	Very high	87.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.3	168.1	-163.7	172.9	0	0	0	108.6	M281 W282 Y286 G297 I301 Y380 A419	M281-I416 HydrophobicContact CG-CB 4.16Å; M281-I416 HydrophobicContact CG-CG2 4.15Å; M281-I416 WeakPolarHBondContact O-CG2 3.42Å; M281-I416 PolarHBondContact O-N 3.3Å; W282-I416 HydrophobicContact CD2-CG2 4Å; W282-I416 HydrophobicContact CE3-CG2 4Å; W282-I416 HydrophobicContact CH2-CD1 3.91Å; W282-I416 HydrophobicContact CZ2-CD1 3.88Å; W282-I416 HydrophobicContact CZ3-CG2 4.28Å; Y286-I416 PolarHBondContact OH-O 2.85Å; Y286-I416 VanDerWaalsContact OH-O 3.13Å; G297-I416 VanDerWaalsContact CA-O 3.25Å; G297-I416 WeakPolarHBondContact CA-O 3.27Å; I301-I416 HydrophobicContact CD1-CD1 4.03Å; I301-I416 HydrophobicContact CD1-CG1 4.19Å; I301-I416 HydrophobicContact CD1-CG2 4.28Å; Y380-I416 HydrophobicContact CD1-CB 4.05Å; Y380-I416 HydrophobicContact CD1-CD1 4.45Å; Y380-I416 HydrophobicContact CD1-CG1 4.32Å; Y380-I416 HydrophobicContact CD2-CB 4.24Å; Y380-I416 HydrophobicContact CD2-CD1 4.21Å; Y380-I416 HydrophobicContact CD2-CG1 3.79Å; Y380-I416 HydrophobicContact CE1-CB 4.12Å; Y380-I416 HydrophobicContact CE2-CB 4.31Å; Y380-I416 HydrophobicContact CE2-CG1 4.21Å; Y380-I416 HydrophobicContact CG-CB 4.1Å; Y380-I416 HydrophobicContact CG-CD1 3.88Å; Y380-I416 HydrophobicContact CG-CG1 3.85Å; I416-A419 HydrophobicContact CD1-CB 3.92Å
417	G	93	Very high	87.8	Confident	4 Å²	4	53.8 Å²	53.8	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-34.8	179	0	0	0	0	0	112.4	R288 H300 Y402 Y415	R288-G417 PolarHBondContact NH2-O 3.13Å; H300-G417 PolarHBondContact CD2-O 3.03Å; Y402-G417 WeakPolarHBondContact O-CA 3.43Å; Y402-G417 PolarHBondContact O-N 2.63Å; Y415-G417 PolarHBondContact O-N 2.79Å
418	S	94.8	Very high	87.9	Confident	10 Å²	10	54.8 Å²	54.8	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	156.2	176.4	-163.2	0	0	0	0	109.7	H300 T401 Y402	H300-S418 PolarHBondContact CD2-OG 2.86Å; H300-S418 VanDerWaalsContact CD2-OG 3.27Å; H300-S418 WeakPolarHBondContact NE2-CB 3.45Å; H300-S418 PolarHBondContact NE2-OG 3.13Å; T401-S418 CarbonylContact C-O 3.53Å; T401-S418 VanDerWaalsContact CA-O 3.22Å; T401-S418 WeakPolarHBondContact CA-O 3.32Å; Y402-S418 PolarHBondContact N-O 3.31Å; Y402-S418 PolarHBondContact O-N 2.81Å
419	A	96.9	Very high	87.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	133.8	171.6	0	0	0	0	0	108.6	I301 Y376 Q400 T401 I416	I301-A419 HydrophobicContact CD1-CB 3.71Å; I301-A419 VanDerWaalsContact CD1-N 3.35Å; I301-A419 HydrophobicContact CG1-CB 4.36Å; Y376-A419 HydrophobicContact CD1-CB 3.58Å; Y376-A419 HydrophobicContact CD2-CB 4.29Å; Y376-A419 HydrophobicContact CE1-CB 4.31Å; Y376-A419 HydrophobicContact CG-CB 3.61Å; Q400-A419 VanDerWaalsContact O-CA 3.31Å; Q400-A419 WeakPolarHBondContact O-CA 3.32Å; T401-A419 HydrophobicContact CG2-CB 4.09Å; I416-A419 HydrophobicContact CD1-CB 3.92Å
420	Y	96.3	Very high	87.7	Confident	58 Å²	58	56.7 Å²	56.7	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	153.2	177.1	55.4	-95.2	0	0	0	111.4	H315 I399 Q400 Y402	H315-Y420 AromaticContact CE1-CG 3.85Å; H315-Y420 WeakPolarHBondContact ND1-CB 3.4Å; H315-Y420 AromaticContact NE2-CD1 3.87Å; I399-Y420 WeakPolarHBondContact CA-O 3.22Å; Q400-Y420 HydrophobicContact CB-CE2 4.1Å; Q400-Y420 PolarHBondContact N-O 3.49Å; Q400-Y420 PolarHBondContact O-N 3.11Å; Q400-Y420 VanDerWaalsContact O-N 3.07Å; Y402-Y420 HydrophobicContact CD2-CE1 4.15Å; Y402-Y420 AromaticContact CE2-CE1 3.71Å; Y402-Y420 HydrophobicContact CE2-CE1 3.71Å; Y402-Y420 AromaticContact CE2-CZ 3.91Å; Y402-Y420 WeakPolarHBondContact CE2-OH 3.29Å
421	P	96.2	Very high	88	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.2	173.1	27.2	-32.8	0	0	0	110.6	V346 S362 V364 F397 I398 S423	V346-P421 HydrophobicContact CG1-CB 3.87Å; V346-P421 HydrophobicContact CG1-CG 4.07Å; S362-P421 WeakPolarHBondContact CB-O 3.4Å; S362-P421 PolarHBondContact OG-O 3.04Å; V364-P421 HydrophobicContact CG2-CB 4.19Å; V364-P421 HydrophobicContact CG2-CG 4Å; F397-P421 HydrophobicContact CE2-CB 3.47Å; F397-P421 VanDerWaalsContact CE2-CB 3.47Å; F397-P421 HydrophobicContact CZ-CB 3.75Å; I398-P421 CarbonylContact O-C 3.4Å; I398-P421 WeakPolarHBondContact O-CA 3.44Å; P421-S423 PolarHBondContact O-N 3.49Å
422	V	93.6	Very high	88.5	Confident	32 Å²	32	47.4 Å²	47.4	19%	0.194	23%	0.225	C	C	.	.			trans	-79	120.7	173.8	-179.4	0	0	0	0	108.2	Y387 I398 Q400 M424	Y387-V422 HydrophobicContact CD1-CG2 4.11Å; Y387-V422 HydrophobicContact CE1-CG2 3.9Å; I398-V422 HydrophobicContact CB-CB 4.04Å; I398-V422 HydrophobicContact CB-CG2 4.26Å; I398-V422 HydrophobicContact CG2-CB 4.04Å; I398-V422 HydrophobicContact CG2-CG2 3.72Å; I398-V422 PolarHBondContact O-N 3.25Å; Q400-V422 HydrophobicContact CB-CG2 3.89Å; V422-M424 VanDerWaalsContact C-N 3.34Å; V422-M424 PolarHBondContact O-N 2.73Å
423	S	84.5	Confident	88.7	Confident	25 Å²	25	47.6 Å²	47.6	18%	0.175	21%	0.207	C	C	.	.			trans	-65.5	94.6	167.2	-61.4	0	0	0	0	108.8	P421 R425	P421-S423 PolarHBondContact O-N 3.49Å; S423-R425 PolarHBondContact O-N 2.98Å
424	M	68.7	Low	88.8	Confident	46 Å²	46	45.2 Å²	45.2	23%	0.227	20%	0.197	C	C	.	.			trans	-70.8	115	-178.1	-68.4	-165.9	-70.7	0	0	109.3	F336 Q396 I398 V422	F336-M424 WeakPolarHBondContact CD2-O 3.4Å; F336-M424 WeakPolarHBondContact CE2-O 3.29Å; Q396-M424 VanDerWaalsContact C-CE 3.47Å; Q396-M424 HydrophobicContact CB-CE 3.91Å; Q396-M424 HydrophobicContact CB-SD 4.48Å; Q396-M424 HydrophobicContact CG-CE 3.84Å; Q396-M424 HydrophobicContact CG-SD 3.85Å; Q396-M424 WeakPolarHBondContact O-CE 3.46Å; I398-M424 HydrophobicContact CB-SD 4.41Å; I398-M424 HydrophobicContact CD1-CG 3.89Å; I398-M424 HydrophobicContact CD1-SD 3.3Å; I398-M424 WeakPolarHBondContact CD1-SD 3.17Å; I398-M424 HydrophobicContact CG1-CG 4.28Å; I398-M424 HydrophobicContact CG1-SD 3.56Å; I398-M424 VanDerWaalsContact CG1-SD 3.56Å; V422-M424 VanDerWaalsContact C-N 3.34Å; V422-M424 PolarHBondContact O-N 2.73Å
425	R	62.8	Low	88.6	Confident	276 Å²	276	43.1 Å²	43.1	100%	1.042	19%	0.188	S	C	*	.			trans	-69.5	0	-176.4	-64.7	176.3	172.8	146.1	6.5	112.9	D184 S423	D184-R425 IonicContact OD2-CZ 3.57Å; D184-R425 IonicContact OD2-NE 2.73Å; D184-R425 PolarHBondContact OD2-NE 3.22Å; D184-R425 IonicContact OD2-NH2 3.55Å; S423-R425 PolarHBondContact O-N 2.98Å

Retrieved 425 of 425 residues in 200.8 ms (Link to these results)

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