A0A087YDP7_POEFO Loading...

N-acetylglucosamine-6-sulfatase

Hydrolyzes 6-sulfate groups in N-acetyl-d-glucosaminide units of heparin sulfate and keratan sulfate.

AlphaFold DB , UniProt , Accession A0A087YDP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	33.4	Very low	234 Å²	234	166.6 Å²	166.6	100%	1.153	79%	0.789	S	S	*	*				0	59.2	0	-69.7	-177.5	-90.2	0	0	106.8
2	E	36.4	Very low	33.6	Very low	181 Å²	181	165.5 Å²	165.5	85%	0.846	79%	0.79	S	S	*	*				55	115.9	90.4	-72	-167.6	153	0	0	112.2
3	F	31.5	Very low	33.6	Very low	179 Å²	179	161.2 Å²	161.2	79%	0.785	79%	0.788	S	S	*	*			cis	-158.4	132.7	-15.3	-140.6	-99.2	0	0	0	106.3
4	N	32.4	Very low	34	Very low	116 Å²	116	158.2 Å²	158.2	62%	0.62	79%	0.789	S	S	*	*			trans	25	126.3	145.6	-77.8	-30.2	0	0	0	120.9
5	R	34.5	Very low	34.2	Very low	205 Å²	205	158.9 Å²	158.9	77%	0.774	80%	0.796	S	S	*	*				93.8	128	60.9	-93	-166.1	176.9	-159.5	1.1	113.9
6	F	32.8	Very low	34.6	Very low	173 Å²	173	158.3 Å²	158.3	76%	0.759	80%	0.795	S	S	*	*			trans	71.1	116.5	151.1	-82.2	-105	0	0	0	119
7	C	31.7	Very low	35.1	Very low	101 Å²	101	158.8 Å²	158.8	68%	0.682	80%	0.798	S	S	*	*				81.9	120.2	68.7	-115.1	0	0	0	0	115.5
8	L	30.9	Very low	35.1	Very low	138 Å²	138	155.9 Å²	155.9	72%	0.723	79%	0.794	S	S	*	*			trans	70.7	110.2	145	-103.1	92.9	0	0	0	120.2
9	R	32	Very low	35.5	Very low	226 Å²	226	154.8 Å²	154.8	85%	0.853	80%	0.795	S	S	*	*				157.8	122.9	104.9	-93.3	176.6	-178.9	-161.4	0.6	113.9
10	S	33.4	Very low	35.9	Very low	98 Å²	98	153.4 Å²	153.4	69%	0.685	79%	0.794	S	S	*	*				79	141.8	125.8	-130	0	0	0	0	123.5
11	F	33.9	Very low	35.9	Very low	182 Å²	182	153.7 Å²	153.7	80%	0.798	80%	0.796	S	S	*	*			trans	81.5	104.7	156.9	-75.4	-78.2	0	0	0	122.8
12	L	35.2	Very low	35.9	Very low	153 Å²	153	153.6 Å²	153.6	80%	0.801	78%	0.783	S	S	*	*			trans	19.5	132.1	130.9	-100.1	87.1	0	0	0	121.6
13	S	34	Very low	35.8	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	78%	0.775	S	S	*	*				133.4	135.5	121.2	-76.5	0	0	0	0	116.1
14	C	39.3	Very low	36.1	Very low	120 Å²	120	149.2 Å²	149.2	81%	0.811	78%	0.776	S	S	*	*			trans	-49.4	148.5	173.7	-61.8	0	0	0	0	114.9
15	L	36.6	Very low	36.3	Very low	169 Å²	169	150 Å²	150	89%	0.885	78%	0.775	S	S	*	*			trans	-163.8	138.9	133.8	-120.6	125.7	0	0	0	113.5
16	L	40.3	Very low	36.3	Very low	149 Å²	149	145.6 Å²	145.6	78%	0.78	78%	0.777	S	S	*	*			trans	-63.4	146.8	169.7	-73.4	107.8	0	0	0	112.4
17	I	43.6	Very low	36.7	Very low	166 Å²	166	147.7 Å²	147.7	85%	0.851	78%	0.781	S	S	*	*			trans	-136.1	124.3	151.6	-63.6	-176.4	0	0	0	110.1
18	C	35.3	Very low	37.2	Very low	108 Å²	108	145.8 Å²	145.8	73%	0.73	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-68.1	141.4	174.9	-70.8	0	0	0	0	112.2
19	V	42.1	Very low	37.5	Very low	134 Å²	134	147.3 Å²	147.3	81%	0.812	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-96.7	117.3	164.6	176.5	0	0	0	0	108.6
20	T	43.1	Very low	37.8	Very low	126 Å²	126	146.8 Å²	146.8	77%	0.773	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-79.2	123.4	169.8	47.2	0	0	0	0	110.3
21	L	35.9	Very low	37.9	Very low	161 Å²	161	145.1 Å²	145.1	84%	0.843	79%	0.789	S	S	*	*			trans	-132.6	132.9	159.4	-88.7	166.6	0	0	0	109.3
22	W	38.5	Very low	38.3	Very low	232 Å²	232	145 Å²	145	88%	0.879	79%	0.791	S	S	*	*			trans	-57.4	126.8	-174.8	-70.9	21.4	0	0	0	112.3
23	S	35.3	Very low	38.8	Very low	95 Å²	95	141.6 Å²	141.6	66%	0.664	79%	0.785	S	S	*	*			trans	-112.9	112.9	146.5	60.2	0	0	0	0	107.3	Q25	S23-Q25 PolarHBondContact O-N 3.27Å
24	E	36.6	Very low	39.8	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	79%	0.788	S	S	*	*			trans	-64.2	91.6	159.2	-75.1	-163.1	163.2	0	0	107.1	S26	E24-S26 PolarHBondContact O-N 2.87Å
25	Q	36.2	Very low	41.7	Very low	132 Å²	132	146.9 Å²	146.9	62%	0.617	78%	0.783	S	S	*	*			trans	-78.1	109.6	174.6	-150.6	152.4	31.4	0	0	106.9	S23 Y27	S23-Q25 PolarHBondContact O-N 3.27Å; Q25-Y27 VanDerWaalsContact C-N 3.28Å; Q25-Y27 HydrophobicContact CB-CE2 4.35Å; Q25-Y27 VanDerWaalsContact O-CD2 3.26Å; Q25-Y27 WeakPolarHBondContact O-CD2 3.26Å; Q25-Y27 PolarHBondContact O-N 2.8Å
26	S	35	Very low	44.3	Very low	114 Å²	114	144.1 Å²	144.1	80%	0.797	76%	0.761	S	S	*	*			trans	-55.8	91.4	169.9	-39.3	0	0	0	0	109.1	E24 G28	E24-S26 PolarHBondContact O-N 2.87Å; S26-G28 PolarHBondContact O-N 3.08Å; S26-G28 VanDerWaalsContact O-N 3.08Å
27	Y	41.7	Very low	46.9	Very low	216 Å²	216	138.2 Å²	138.2	85%	0.847	73%	0.731	S	S	*	*			trans	-74.2	93.6	166.1	-75.7	-80.6	0	0	0	107.8	Q25	Q25-Y27 VanDerWaalsContact C-N 3.28Å; Q25-Y27 HydrophobicContact CB-CE2 4.35Å; Q25-Y27 VanDerWaalsContact O-CD2 3.26Å; Q25-Y27 WeakPolarHBondContact O-CD2 3.26Å; Q25-Y27 PolarHBondContact O-N 2.8Å
28	G	42	Very low	49.5	Very low	62 Å²	62	130.8 Å²	130.8	64%	0.639	69%	0.693	S	S	*	*			trans	158.4	66.3	176.4	0	0	0	0	0	112	S26	S26-G28 PolarHBondContact O-N 3.08Å; S26-G28 VanDerWaalsContact O-N 3.08Å
29	L	37	Very low	52.5	Low	170 Å²	170	125.6 Å²	125.6	89%	0.89	66%	0.658	S	S	*	*			trans	-177.5	76.5	151.3	-94.8	157.3	0	0	0	105.5	G31	L29-G31 PolarHBondContact O-N 2.87Å
30	F	38.7	Very low	55.2	Low	215 Å²	215	119.2 Å²	119.2	94%	0.943	62%	0.619	S	S	*	*			trans	-60	100.5	151.9	-91.9	-83.7	0	0	0	105	Q32	F30-Q32 PolarHBondContact O-N 2.98Å
31	G	35.8	Very low	57.8	Low	63 Å²	63	113.2 Å²	113.2	65%	0.649	58%	0.583	S	S	*	*			trans	-50.4	115.6	172.2	0	0	0	0	0	107.5	L29 A33	L29-G31 PolarHBondContact O-N 2.87Å; G31-A33 PolarHBondContact O-N 2.9Å
32	Q	42.2	Very low	60.8	Low	180 Å²	180	105.6 Å²	105.6	84%	0.841	54%	0.542	S	S	*	.			trans	-66.1	77	164.8	-162.4	175.8	18.1	0	0	105.3	F30 N34	F30-Q32 PolarHBondContact O-N 2.98Å; Q32-N34 PolarHBondContact O-N 2.73Å
33	A	44.8	Very low	63.7	Low	80 Å²	80	94.5 Å²	94.5	66%	0.661	50%	0.501	S	S	*	.			trans	-53.7	110.9	166.3	0	0	0	0	0	104.3	G31 R35	G31-A33 PolarHBondContact O-N 2.9Å; A33-R35 VanDerWaalsContact C-N 3.25Å; A33-R35 PolarHBondContact O-N 2.82Å
34	N	54.9	Low	66.7	Low	156 Å²	156	90 Å²	90	83%	0.834	47%	0.469	S	S	*	.			trans	-55.1	90.3	-173.1	-100.7	-21.7	0	0	0	109.2	Q32 R36	Q32-N34 PolarHBondContact O-N 2.73Å; N34-R36 PolarHBondContact O-N 3.3Å
35	R	79.5	Confident	69.6	Low	185 Å²	185	81.8 Å²	81.8	70%	0.698	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-66.9	132.7	175.3	-73.5	-173.5	176.8	-179.7	-0.2	106	A33	A33-R35 VanDerWaalsContact C-N 3.25Å; A33-R35 PolarHBondContact O-N 2.82Å
36	R	90.8	Very high	72.5	Confident	111 Å²	111	75.6 Å²	75.6	42%	0.419	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-54.9	135.7	175.3	-61.4	-176.5	-159.1	169.9	7.7	108.3	N34 G130 Y132 P214 N308	N34-R36 PolarHBondContact O-N 3.3Å; R36-G130 PolarHBondContact NH1-O 3.23Å; R36-Y132 HydrophobicContact CB-CE2 4.47Å; R36-P214 HydrophobicContact CB-CB 4.29Å; R36-P214 HydrophobicContact CB-CG 4.22Å; R36-N308 PolarHBondContact O-ND2 2.73Å
37	P	95.4	Very high	75.5	Confident	24 Å²	24	70.1 Å²	70.1	16%	0.156	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-60	155.1	-179.3	-25.3	35	0	0	0	112.4	Y132 N308 Y310 I371	P37-Y132 PolarHBondContact O-OH 3.45Å; P37-N308 CarbonylContact C-O 3.54Å; P37-N308 WeakPolarHBondContact CA-O 3.23Å; P37-Y310 HydrophobicContact CB-CD2 3.7Å; P37-Y310 HydrophobicContact CB-CE2 3.74Å; P37-Y310 HydrophobicContact CG-CD2 4.27Å; P37-Y310 HydrophobicContact CG-CE2 3.8Å; P37-I371 HydrophobicContact CB-CG2 3.97Å; P37-I371 HydrophobicContact CG-CG2 4.08Å
38	N	97.8	Very high	78	Confident	10 Å²	10	60 Å²	60	5%	0.053	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	159.3	161.3	-54.3	-54.1	0	0	0	109.6	P214 F215 N308 T309 Y310	N38-P214 WeakPolarHBondContact OD1-CA 3.41Å; N38-F215 WeakPolarHBondContact CA-O 3.48Å; N38-F215 HydrophobicContact CB-CD1 3.7Å; N38-F215 HydrophobicContact CB-CD2 4.42Å; N38-F215 HydrophobicContact CB-CE1 3.37Å; N38-F215 HydrophobicContact CB-CE2 4.12Å; N38-F215 HydrophobicContact CB-CG 4.22Å; N38-F215 HydrophobicContact CB-CZ 3.57Å; N38-F215 WeakPolarHBondContact ND2-CE1 3.32Å; N38-F215 WeakPolarHBondContact OD1-CD1 3.42Å; N38-F215 WeakPolarHBondContact OD1-CE1 3.24Å; N38-F215 PolarHBondContact OD1-N 2.95Å; N38-F215 VanDerWaalsContact OD1-N 3.09Å; N38-N308 PolarHBondContact N-O 3.41Å; N38-T309 HydrophobicContact CB-CG2 3.91Å; N38-T309 WeakPolarHBondContact CB-OG1 3.27Å; N38-T309 PolarHBondContact ND2-OG1 2.8Å; N38-T309 CarbonylContact O-C 3.5Å; N38-T309 WeakPolarHBondContact O-CA 3.47Å; N38-Y310 PolarHBondContact O-N 2.88Å
39	I	98.6	Very high	80.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.1	-177.7	-53.5	171.6	0	0	0	109.2	Y132 F215 F216 M217 Y310 F312 I368 I371	I39-Y132 HydrophobicContact CD1-CE1 4.17Å; I39-Y132 HydrophobicContact CG1-CE1 4.39Å; I39-F215 PolarHBondContact N-O 2.87Å; I39-F216 HydrophobicContact CB-CD2 3.87Å; I39-F216 HydrophobicContact CG2-CD2 3.75Å; I39-F216 HydrophobicContact CG2-CE2 4.07Å; I39-F216 CarbonylContact O-C 3.42Å; I39-F216 VanDerWaalsContact O-CA 3.27Å; I39-F216 WeakPolarHBondContact O-CA 3.4Å; I39-M217 PolarHBondContact O-N 2.77Å; I39-Y310 CarbonylContact C-O 3.6Å; I39-Y310 WeakPolarHBondContact CA-O 3.19Å; I39-F312 HydrophobicContact CG2-CD2 4.3Å; I39-F312 HydrophobicContact CG2-CE2 4.09Å; I39-I368 HydrophobicContact CD1-CG2 3.88Å; I39-I368 WeakPolarHBondContact CD1-O 3.42Å; I39-I368 HydrophobicContact CG2-CG1 4.2Å; I39-I368 HydrophobicContact CG2-CG2 4.32Å; I39-I371 HydrophobicContact CD1-CB 3.93Å; I39-I371 HydrophobicContact CD1-CG2 3.61Å; I39-I371 HydrophobicContact CG1-CG2 3.79Å
40	V	98.9	Very high	83.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.1	173	178.8	0	0	0	0	108.3	I42 F215 M217 I296 L300 T309 Y310 I311 F312	V40-I42 HydrophobicContact CG1-CD1 4.28Å; V40-I42 HydrophobicContact CG1-CG1 3.89Å; V40-F215 HydrophobicContact CG2-CE2 3.78Å; V40-F215 HydrophobicContact CG2-CZ 4.24Å; V40-M217 CarbonylContact C-O 3.58Å; V40-M217 VanDerWaalsContact CA-O 3.32Å; V40-M217 WeakPolarHBondContact CA-O 3.2Å; V40-M217 HydrophobicContact CG1-CG 4.34Å; V40-M217 HydrophobicContact CG1-SD 4.15Å; V40-M217 HydrophobicContact CG2-CB 4.27Å; V40-M217 HydrophobicContact CG2-SD 4.39Å; V40-I296 HydrophobicContact CG1-CG2 4.31Å; V40-L300 HydrophobicContact CG2-CD1 4.22Å; V40-T309 HydrophobicContact CG2-CG2 3.85Å; V40-Y310 PolarHBondContact N-O 3.01Å; V40-I311 HydrophobicContact CB-CB 4.43Å; V40-I311 HydrophobicContact CB-CG1 4.23Å; V40-I311 HydrophobicContact CB-CG2 4.16Å; V40-I311 HydrophobicContact CG1-CG2 4.17Å; V40-I311 HydrophobicContact CG2-CG1 4.49Å; V40-I311 CarbonylContact O-C 3.53Å; V40-I311 WeakPolarHBondContact O-CA 3.5Å; V40-F312 PolarHBondContact O-N 3.07Å
41	L	98.9	Very high	85.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.6	169.9	174.2	60.3	0	0	0	108.9	I88 F122 F216 M217 M218 V219 F312 T314 I368	L41-I88 HydrophobicContact CD2-CG2 4.39Å; L41-F122 HydrophobicContact CD2-CZ 4.44Å; L41-F216 HydrophobicContact CB-CE2 4.02Å; L41-F216 HydrophobicContact CB-CZ 4.29Å; L41-M217 PolarHBondContact N-O 2.89Å; L41-M218 HydrophobicContact CB-CG 4.42Å; L41-M218 HydrophobicContact CD2-CE 4.04Å; L41-M218 HydrophobicContact CD2-CG 4.17Å; L41-M218 HydrophobicContact CD2-SD 4.1Å; L41-M218 HydrophobicContact CG-CG 4.34Å; L41-M218 CarbonylContact O-C 3.49Å; L41-M218 VanDerWaalsContact O-CA 3.29Å; L41-M218 WeakPolarHBondContact O-CA 3.38Å; L41-V219 PolarHBondContact O-N 3.18Å; L41-F312 HydrophobicContact CD1-CB 3.77Å; L41-T314 HydrophobicContact CD1-CG2 4Å; L41-I368 HydrophobicContact CD2-CD1 4.33Å
42	I	98.9	Very high	88.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.6	172.1	-56.1	174.7	0	0	0	107.1	V40 V219 L292 V293 I296 I311 F312 F313 T314	V40-I42 HydrophobicContact CG1-CD1 4.28Å; V40-I42 HydrophobicContact CG1-CG1 3.89Å; I42-V219 CarbonylContact C-O 3.53Å; I42-V219 WeakPolarHBondContact CA-O 3.31Å; I42-L292 HydrophobicContact CD1-CD2 4.4Å; I42-L292 HydrophobicContact CG2-CD2 4.49Å; I42-V293 HydrophobicContact CD1-CB 4.37Å; I42-V293 HydrophobicContact CD1-CG2 3.71Å; I42-V293 HydrophobicContact CG2-CG2 4.24Å; I42-I296 HydrophobicContact CD1-CD1 4.24Å; I42-I311 HydrophobicContact CD1-CG2 4.43Å; I42-F312 PolarHBondContact N-O 3.2Å; I42-F313 HydrophobicContact CB-CD2 3.95Å; I42-F313 HydrophobicContact CG2-CD2 3.69Å; I42-F313 HydrophobicContact CG2-CE2 3.91Å; I42-F313 WeakPolarHBondContact O-CA 3.34Å; I42-T314 PolarHBondContact O-N 3.31Å
43	L	98.9	Very high	91.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.7	-175.1	-175.9	70.1	0	0	0	109.2	I88 M218 V219 S220 T221 T314 S315 D316	L43-I88 HydrophobicContact CD1-CD1 3.82Å; L43-I88 HydrophobicContact CD2-CD1 3.97Å; L43-M218 HydrophobicContact CB-CE 4.45Å; L43-M218 HydrophobicContact CD2-CE 3.66Å; L43-V219 PolarHBondContact N-O 3.23Å; L43-S220 CarbonylContact O-C 3.59Å; L43-S220 WeakPolarHBondContact O-CA 2.88Å; L43-T221 PolarHBondContact O-N 2.89Å; L43-T221 PolarHBondContact O-OG1 2.89Å; L43-T314 WeakPolarHBondContact CA-O 3.37Å; L43-T314 HydrophobicContact CD1-CG2 3.59Å; L43-S315 VanDerWaalsContact CD1-C 3.42Å; L43-D316 HydrophobicContact CD1-CB 4.48Å
44	A	98.6	Very high	93.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	164.2	168.7	0	0	0	0	0	111.1	L47 A223 F313 T314 S315 D316	A44-L47 HydrophobicContact CB-CB 3.71Å; A44-L47 HydrophobicContact CB-CD2 3.75Å; A44-L47 HydrophobicContact CB-CG 4.38Å; A44-A223 WeakPolarHBondContact CB-O 3.27Å; A44-F313 HydrophobicContact CB-CZ 4.41Å; A44-T314 PolarHBondContact N-O 3.19Å; A44-S315 WeakPolarHBondContact O-CA 3.4Å; A44-D316 PolarHBondContact O-N 3.04Å
45	D	97.9	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.7	179.2	-165.5	-51.4	0	0	0	110.6	R85 K139 T221 A223 P224 H225 D316	D45-R85 IonicContact OD2-CZ 3.12Å; D45-R85 IonicContact OD2-NE 3.88Å; D45-R85 IonicContact OD2-NH2 2.73Å; D45-R85 PolarHBondContact OD2-NH2 2.78Å; D45-K139 IonicContact OD1-NZ 3.45Å; D45-K139 WeakPolarHBondContact OD2-CD 3.49Å; D45-K139 VanDerWaalsContact OD2-CE 3.26Å; D45-K139 WeakPolarHBondContact OD2-CE 3.44Å; D45-K139 IonicContact OD2-NZ 2.78Å; D45-K139 PolarHBondContact OD2-NZ 3.5Å; D45-T221 PolarHBondContact N-O 3.01Å; D45-A223 PolarHBondContact N-O 2.8Å; D45-A223 CarbonylContact O-C 3.56Å; D45-P224 WeakPolarHBondContact O-CD 3.38Å; D45-H225 HydrophobicContact CB-CB 4.19Å; D45-H225 PolarHBondContact O-N 3.01Å; D45-H225 VanDerWaalsContact O-N 3.13Å; D45-H225 IonicContact OD1-CD2 3.17Å; D45-H225 PolarHBondContact OD1-CD2 3.24Å; D45-H225 IonicContact OD1-CG 2.78Å; D45-D316 VanDerWaalsContact CA-OD1 3.27Å; D45-D316 WeakPolarHBondContact CA-OD1 3.24Å
46	D	96.9	Very high	96.5	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.098	C	C	.	.	S	Bend	trans	65.8	31.1	-174.1	-62.4	-11.3	0	0	0	114.4	P224 H225 R282 D316 N317 Y319 K330	D46-P224 WeakPolarHBondContact O-CG 3.4Å; D46-H225 IonicContact OD1-CD2 3.87Å; D46-H225 IonicContact OD2-CD2 3.02Å; D46-H225 PolarHBondContact OD2-CD2 3.39Å; D46-H225 IonicContact OD2-CG 3.68Å; D46-H225 IonicContact OD2-NE2 3.69Å; D46-R282 PolarHBondContact O-NH2 2.84Å; D46-D316 PolarHBondContact N-OD1 3.13Å; D46-D316 VanDerWaalsContact N-OD1 3.12Å; D46-N317 CarbonylContact C-O 3.49Å; D46-N317 PolarHBondContact OD1-ND2 3.21Å; D46-Y319 HydrophobicContact CB-CD2 3.74Å; D46-Y319 HydrophobicContact CB-CE2 4.36Å; D46-Y319 HydrophobicContact CB-CG 4.3Å; D46-Y319 WeakPolarHBondContact OD2-CE2 3.34Å; D46-K330 WeakPolarHBondContact OD1-CD 3.34Å; D46-K330 WeakPolarHBondContact OD1-CE 3.45Å; D46-K330 IonicContact OD1-NZ 2.64Å; D46-K330 PolarHBondContact OD1-NZ 3.39Å; D46-K330 IonicContact OD2-NZ 3.73Å; D46-K330 PolarHBondContact OD2-NZ 3.14Å
47	L	97.6	Very high	96.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.078	C	C	.	.			trans	-93.6	105.1	176.6	-175.8	65	0	0	0	112.4	A44 L57 P224 L286 F313 S315 N317 P341	A44-L47 HydrophobicContact CB-CB 3.71Å; A44-L47 HydrophobicContact CB-CD2 3.75Å; A44-L47 HydrophobicContact CB-CG 4.38Å; L47-L57 HydrophobicContact CD2-CD1 3.78Å; L47-P224 HydrophobicContact CB-CG 4.35Å; L47-P224 HydrophobicContact CD1-CG 4.26Å; L47-L286 HydrophobicContact CD1-CD1 3.56Å; L47-L286 HydrophobicContact CD1-CD2 4.02Å; L47-L286 HydrophobicContact CD1-CG 4.43Å; L47-L286 HydrophobicContact CD2-CD2 4.42Å; L47-F313 HydrophobicContact CD2-CE1 3.65Å; L47-F313 HydrophobicContact CD2-CZ 3.74Å; L47-S315 WeakPolarHBondContact CA-OG 3.4Å; L47-S315 WeakPolarHBondContact CB-OG 3.05Å; L47-S315 PolarHBondContact N-OG 3.08Å; L47-S315 WeakPolarHBondContact O-CB 3.35Å; L47-S315 PolarHBondContact O-OG 3.35Å; L47-N317 CarbonylContact C-O 3.59Å; L47-N317 PolarHBondContact N-O 2.83Å; L47-N317 VanDerWaalsContact N-O 3.16Å; L47-P341 HydrophobicContact CD2-CG 3.81Å; L47-P341 HydrophobicContact CG-CG 4.01Å; L47-P341 VanDerWaalsContact O-CD 3.27Å; L47-P341 WeakPolarHBondContact O-CD 3.49Å
48	D	92.9	Very high	97	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	10%	0.095	C	C	.	.			trans	-81.4	164.7	173.6	66.2	81.5	0	0	0	113.1	A50 M51 G52 G53 R282	D48-A50 PolarHBondContact OD1-N 2.67Å; D48-M51 WeakPolarHBondContact OD1-CA 3.24Å; D48-M51 WeakPolarHBondContact OD1-CB 3.43Å; D48-M51 PolarHBondContact OD1-N 3.28Å; D48-G52 PolarHBondContact OD1-N 2.99Å; D48-G53 WeakPolarHBondContact O-CA 3.38Å; D48-G53 PolarHBondContact O-N 3.19Å; D48-R282 IonicContact OD2-NH2 3.86Å; D48-R282 PolarHBondContact OD2-NH2 3.31Å
49	I	94.1	Very high	97.1	Very high	49 Å²	49	17.8 Å²	17.8	25%	0.251	11%	0.105	S	C	.	.	S	Bend	trans	-99.5	-30.4	162.4	-156	166	0	0	0	112.6	G52 L54 R339	I49-G52 PolarHBondContact O-N 3Å; I49-G52 VanDerWaalsContact O-N 3.17Å; I49-L54 HydrophobicContact CD1-CD1 4.39Å; I49-R339 HydrophobicContact CG2-CB 4.24Å; I49-R339 HydrophobicContact CG2-CG 3.8Å; I49-R339 PolarHBondContact N-O 2.99Å
50	A	93.3	Very high	97.1	Very high	42 Å²	42	17.8 Å²	17.8	35%	0.347	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-36.1	-171.3	0	0	0	0	0	112.8	D48 G52 F336	D48-A50 PolarHBondContact OD1-N 2.67Å; A50-G52 PolarHBondContact O-N 3.06Å; A50-F336 HydrophobicContact CB-CB 3.86Å
51	M	93.7	Very high	97.1	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.025	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	11.2	176.2	-48	-68.3	99.6	0	0	112.4	D48 P244 F279 Y319 Q323 F336	D48-M51 WeakPolarHBondContact OD1-CA 3.24Å; D48-M51 WeakPolarHBondContact OD1-CB 3.43Å; D48-M51 PolarHBondContact OD1-N 3.28Å; M51-P244 HydrophobicContact CB-CG 4.36Å; M51-P244 HydrophobicContact SD-CG 4.44Å; M51-F279 HydrophobicContact CB-CE2 3.95Å; M51-F279 VanDerWaalsContact O-CE2 3.26Å; M51-F279 WeakPolarHBondContact O-CE2 3.47Å; M51-F279 VanDerWaalsContact O-CZ 3.26Å; M51-F279 WeakPolarHBondContact O-CZ 3.41Å; M51-Y319 WeakPolarHBondContact CG-O 3.31Å; M51-Q323 HydrophobicContact CE-CG 4.19Å; M51-Q323 PolarHBondContact SD-NE2 3.48Å; M51-Q323 PolarHBondContact SD-OE1 2.94Å; M51-F336 HydrophobicContact CE-CB 4.15Å
52	G	95.1	Very high	97.1	Very high	16 Å²	16	27.6 Å²	27.6	17%	0.165	15%	0.147	C	C	.	.			trans	78.1	28.7	175.6	0	0	0	0	0	114.3	D48 I49 A50 L54 N55 W283	D48-G52 PolarHBondContact OD1-N 2.99Å; I49-G52 PolarHBondContact O-N 3Å; I49-G52 VanDerWaalsContact O-N 3.17Å; A50-G52 PolarHBondContact O-N 3.06Å; G52-L54 PolarHBondContact O-N 3.27Å; G52-N55 WeakPolarHBondContact O-CB 3.34Å; G52-N55 VanDerWaalsContact O-CG 3.28Å; G52-N55 PolarHBondContact O-N 2.93Å; G52-N55 PolarHBondContact O-ND2 3.47Å; G52-W283 WeakPolarHBondContact O-CZ2 3.46Å
53	G	95.3	Very high	97	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.2	179.5	0	0	0	0	0	115.8	D48 N55 P56	D48-G53 WeakPolarHBondContact O-CA 3.38Å; D48-G53 PolarHBondContact O-N 3.19Å; G53-N55 VanDerWaalsContact C-N 3.34Å; G53-P56 WeakPolarHBondContact O-CD 3.49Å
54	L	97.3	Very high	97	Very high	23 Å²	23	29.4 Å²	29.4	12%	0.12	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.5	174.2	-71	-175	0	0	0	114.6	I49 G52 L57 K61 F313 P341 L343	I49-L54 HydrophobicContact CD1-CD1 4.39Å; G52-L54 PolarHBondContact O-N 3.27Å; L54-L57 HydrophobicContact CD2-CD1 4.02Å; L54-L57 PolarHBondContact O-N 3.25Å; L54-K61 HydrophobicContact CB-CD 4.32Å; L54-K61 WeakPolarHBondContact O-CE 3.32Å; L54-K61 PolarHBondContact O-NZ 2.79Å; L54-F313 HydrophobicContact CD2-CE1 4.21Å; L54-P341 HydrophobicContact CD1-CB 3.82Å; L54-P341 HydrophobicContact CD2-CB 3.6Å; L54-P341 HydrophobicContact CD2-CG 4.08Å; L54-P341 HydrophobicContact CG-CB 3.79Å; L54-P341 HydrophobicContact CG-CG 4.45Å; L54-L343 HydrophobicContact CD2-CD1 4.42Å
55	N	97.8	Very high	97	Very high	88 Å²	88	29.5 Å²	29.5	47%	0.471	16%	0.158	S	C	.	.	S	Bend	trans	-61.3	-50	-179.5	-70.2	-19.1	0	0	0	113.4	G52 G53 L57 W283	G52-N55 WeakPolarHBondContact O-CB 3.34Å; G52-N55 VanDerWaalsContact O-CG 3.28Å; G52-N55 PolarHBondContact O-N 2.93Å; G52-N55 PolarHBondContact O-ND2 3.47Å; G53-N55 VanDerWaalsContact C-N 3.34Å; N55-L57 PolarHBondContact O-N 2.97Å; N55-W283 HydrophobicContact CB-CH2 3.64Å; N55-W283 HydrophobicContact CB-CZ2 3.87Å; N55-W283 HydrophobicContact CB-CZ3 4.11Å; N55-W283 WeakPolarHBondContact ND2-CH2 3.47Å
56	P	97.8	Very high	97	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.019	18%	0.179	C	C	.	.	S	Bend	trans	-68.1	-18.5	176.6	26	-35.1	0	0	0	113.7	G53 T58 F238 W283 L286 L287	G53-P56 WeakPolarHBondContact O-CD 3.49Å; P56-T58 VanDerWaalsContact C-N 3.3Å; P56-T58 PolarHBondContact O-N 3.22Å; P56-T58 VanDerWaalsContact O-N 3.08Å; P56-F238 HydrophobicContact CB-CE2 4.12Å; P56-F238 HydrophobicContact CB-CZ 3.92Å; P56-W283 HydrophobicContact CB-CB 4.44Å; P56-W283 HydrophobicContact CG-CB 4.19Å; P56-W283 HydrophobicContact CG-CD2 4.18Å; P56-W283 HydrophobicContact CG-CG 3.95Å; P56-L286 HydrophobicContact CB-CB 4.21Å; P56-L286 HydrophobicContact CG-CB 3.83Å; P56-L286 HydrophobicContact CG-CD1 3.58Å; P56-L286 HydrophobicContact CG-CG 4.36Å; P56-L287 HydrophobicContact CB-CD2 4.2Å
57	L	98.6	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.			trans	-88.6	55.9	-173.2	-62.8	178.8	0	0	0	113.1	L47 L54 N55 K61 L286 V289 D290 F313	L47-L57 HydrophobicContact CD2-CD1 3.78Å; L54-L57 HydrophobicContact CD2-CD1 4.02Å; L54-L57 PolarHBondContact O-N 3.25Å; N55-L57 PolarHBondContact O-N 2.97Å; L57-K61 WeakPolarHBondContact O-CE 3.46Å; L57-K61 WeakPolarHBondContact O-CG 3.46Å; L57-K61 PolarHBondContact O-N 3.24Å; L57-L286 HydrophobicContact CD1-CD2 4.38Å; L57-L286 HydrophobicContact CD2-CB 3.96Å; L57-L286 HydrophobicContact CD2-CD2 4.29Å; L57-L286 VanDerWaalsContact CD2-O 3.28Å; L57-L286 WeakPolarHBondContact CD2-O 3.33Å; L57-L286 HydrophobicContact CG-CB 4.43Å; L57-V289 HydrophobicContact CD2-CB 4.41Å; L57-D290 VanDerWaalsContact CA-OD1 3.31Å; L57-D290 WeakPolarHBondContact CA-OD1 3.39Å; L57-D290 HydrophobicContact CD2-CB 3.83Å; L57-F313 HydrophobicContact CD1-CE1 3.68Å; L57-F313 HydrophobicContact CD1-CE2 4.41Å; L57-F313 HydrophobicContact CD1-CZ 3.41Å; L57-F313 VanDerWaalsContact CD1-CZ 3.41Å
58	T	98.5	Very high	97.1	Very high	85 Å²	85	35.9 Å²	35.9	52%	0.521	19%	0.194	S	C	.	.	H	α-helix	trans	-64.6	-41.7	-174.3	59.5	0	0	0	0	113.3	P56 K62 D290	P56-T58 VanDerWaalsContact C-N 3.3Å; P56-T58 PolarHBondContact O-N 3.22Å; P56-T58 VanDerWaalsContact O-N 3.08Å; T58-K62 WeakPolarHBondContact O-CB 3.47Å; T58-K62 PolarHBondContact O-N 3.22Å; T58-K62 VanDerWaalsContact O-N 3.14Å; T58-D290 PolarHBondContact N-OD2 3.01Å; T58-D290 PolarHBondContact OG1-OD2 3.34Å
59	K	98.8	Very high	97.4	Very high	57 Å²	57	36.2 Å²	36.2	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-71.4	-40.4	-179.9	-57.5	167.7	179.7	-169.1	0	110.3	K62 L63 D290 D291 E294	K59-K62 PolarHBondContact O-N 3.46Å; K59-L63 HydrophobicContact CB-CD1 4.25Å; K59-L63 WeakPolarHBondContact O-CB 3.39Å; K59-L63 VanDerWaalsContact O-CG 3.22Å; K59-L63 WeakPolarHBondContact O-CG 3.24Å; K59-L63 PolarHBondContact O-N 3.01Å; K59-D290 WeakPolarHBondContact CB-OD1 3.28Å; K59-D290 WeakPolarHBondContact CB-OD2 3.46Å; K59-D290 WeakPolarHBondContact CG-OD2 3.37Å; K59-D290 PolarHBondContact N-OD1 3.37Å; K59-D290 VanDerWaalsContact N-OD1 3.14Å; K59-D290 PolarHBondContact N-OD2 3.16Å; K59-D291 IonicContact NZ-OD1 3.65Å; K59-D291 PolarHBondContact NZ-OD1 2.84Å; K59-E294 HydrophobicContact CB-CB 4.39Å; K59-E294 HydrophobicContact CD-CB 3.96Å; K59-E294 HydrophobicContact CD-CG 4.41Å; K59-E294 WeakPolarHBondContact CD-OE2 3.35Å; K59-E294 WeakPolarHBondContact CE-OE2 3.49Å; K59-E294 IonicContact NZ-OE2 3.06Å; K59-E294 PolarHBondContact NZ-OE2 3.35Å
60	T	98.8	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-47.7	177.7	-54.4	0	0	0	0	111	K62 L63 I64 D290 V293 F313 L343	T60-K62 VanDerWaalsContact C-N 3.34Å; T60-K62 PolarHBondContact O-N 2.82Å; T60-L63 PolarHBondContact O-N 2.66Å; T60-I64 HydrophobicContact CG2-CD1 4.12Å; T60-I64 WeakPolarHBondContact O-CB 3.41Å; T60-I64 PolarHBondContact O-N 3.33Å; T60-D290 WeakPolarHBondContact CB-OD1 3.46Å; T60-D290 PolarHBondContact N-OD1 2.91Å; T60-D290 PolarHBondContact OG1-OD1 3.03Å; T60-V293 HydrophobicContact CG2-CG1 4.2Å; T60-V293 HydrophobicContact CG2-CG2 4.19Å; T60-F313 HydrophobicContact CG2-CB 4.14Å; T60-F313 HydrophobicContact CG2-CD1 3.9Å; T60-F313 HydrophobicContact CG2-CD2 3.64Å; T60-F313 HydrophobicContact CG2-CE1 4.24Å; T60-F313 HydrophobicContact CG2-CE2 4Å; T60-F313 HydrophobicContact CG2-CG 3.6Å; T60-F313 HydrophobicContact CG2-CZ 4.3Å; T60-L343 HydrophobicContact CG2-CD1 4.07Å
61	K	98.6	Very high	97.9	Very high	64 Å²	64	33.5 Å²	33.5	28%	0.278	18%	0.177	S	C	.	.	I	π-helix	trans	-56.7	-49	173.6	-74.8	-178.2	-63.3	-159.5	0	111.2	L54 L57 G65 D66	L54-K61 HydrophobicContact CB-CD 4.32Å; L54-K61 WeakPolarHBondContact O-CE 3.32Å; L54-K61 PolarHBondContact O-NZ 2.79Å; L57-K61 WeakPolarHBondContact O-CE 3.46Å; L57-K61 WeakPolarHBondContact O-CG 3.46Å; L57-K61 PolarHBondContact O-N 3.24Å; K61-G65 CarbonylContact O-C 3.51Å; K61-G65 WeakPolarHBondContact O-CA 3.33Å; K61-G65 PolarHBondContact O-N 2.96Å; K61-D66 PolarHBondContact O-N 2.87Å
62	K	98.8	Very high	98	Very high	142 Å²	142	34.5 Å²	34.5	62%	0.617	18%	0.184	S	C	*	.	I	π-helix	trans	-65.5	-43.3	-179	-173	178.5	-179.5	180	0	113.7	T58 K59 T60 D66 T67	T58-K62 WeakPolarHBondContact O-CB 3.47Å; T58-K62 PolarHBondContact O-N 3.22Å; T58-K62 VanDerWaalsContact O-N 3.14Å; K59-K62 PolarHBondContact O-N 3.46Å; T60-K62 VanDerWaalsContact C-N 3.34Å; T60-K62 PolarHBondContact O-N 2.82Å; K62-D66 WeakPolarHBondContact CA-OD2 3.46Å; K62-T67 WeakPolarHBondContact O-CG2 3.33Å
63	L	98.8	Very high	98.1	Very high	38 Å²	38	34.2 Å²	34.2	20%	0.199	18%	0.178	C	C	.	.	I	π-helix	trans	-89.3	-13.9	-170	-68.3	172.8	0	0	0	114.1	K59 T60 T67 E294 V297 R345	K59-L63 HydrophobicContact CB-CD1 4.25Å; K59-L63 WeakPolarHBondContact O-CB 3.39Å; K59-L63 VanDerWaalsContact O-CG 3.22Å; K59-L63 WeakPolarHBondContact O-CG 3.24Å; K59-L63 PolarHBondContact O-N 3.01Å; T60-L63 PolarHBondContact O-N 2.66Å; L63-T67 PolarHBondContact O-OG1 2.83Å; L63-E294 HydrophobicContact CD1-CB 3.86Å; L63-E294 HydrophobicContact CD1-CG 4Å; L63-V297 HydrophobicContact CB-CG1 4.36Å; L63-V297 HydrophobicContact CB-CG2 4.34Å; L63-V297 HydrophobicContact CD1-CB 4.4Å; L63-V297 HydrophobicContact CD2-CG1 4.25Å; L63-R345 WeakPolarHBondContact O-CD 3.48Å; L63-R345 PolarHBondContact O-NH1 3.39Å
64	I	98.8	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-124	-61	178.7	-56.2	179	0	0	0	109.7	T60 T67 G68 V293 I311 F313 L343 R345	T60-I64 HydrophobicContact CG2-CD1 4.12Å; T60-I64 WeakPolarHBondContact O-CB 3.41Å; T60-I64 PolarHBondContact O-N 3.33Å; I64-T67 PolarHBondContact N-OG1 3.44Å; I64-T67 CarbonylContact O-C 3.35Å; I64-T67 PolarHBondContact O-OG1 2.73Å; I64-G68 PolarHBondContact O-N 2.78Å; I64-V293 HydrophobicContact CD1-CG1 3.75Å; I64-V293 HydrophobicContact CG1-CG1 4.27Å; I64-I311 HydrophobicContact CD1-CG2 3.72Å; I64-I311 HydrophobicContact CG1-CG2 4.26Å; I64-F313 HydrophobicContact CD1-CB 3.87Å; I64-L343 HydrophobicContact CB-CB 4.28Å; I64-L343 HydrophobicContact CG2-CB 3.62Å; I64-R345 HydrophobicContact CG2-CB 4.37Å; I64-R345 HydrophobicContact CG2-CG 4.2Å
65	G	98.1	Very high	98.4	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	17%	0.174	C	C	.	.	I	π-helix	trans	-59.7	-61.9	-176	0	0	0	0	0	113.4	K61 T67 G68	K61-G65 CarbonylContact O-C 3.51Å; K61-G65 WeakPolarHBondContact O-CA 3.33Å; K61-G65 PolarHBondContact O-N 2.96Å; G65-T67 PolarHBondContact O-N 2.9Å; G65-G68 CarbonylContact O-C 3.28Å; G65-G68 VanDerWaalsContact O-C 3.28Å; G65-G68 PolarHBondContact O-N 3.11Å
66	D	98.5	Very high	98.4	Very high	81 Å²	81	29 Å²	29	43%	0.433	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.2	-177	-59.3	-9.7	0	0	0	111.7	K61 K62 G68 P351 N352	K61-D66 PolarHBondContact O-N 2.87Å; K62-D66 WeakPolarHBondContact CA-OD2 3.46Å; D66-G68 VanDerWaalsContact C-N 3.31Å; D66-P351 WeakPolarHBondContact O-CB 3.13Å; D66-N352 WeakPolarHBondContact CA-OD1 3.32Å; D66-N352 VanDerWaalsContact O-CG 3.3Å; D66-N352 PolarHBondContact O-N 2.92Å; D66-N352 PolarHBondContact O-OD1 3.29Å
67	T	98.1	Very high	98.4	Very high	53 Å²	53	28.9 Å²	28.9	33%	0.325	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	6	176	57.5	0	0	0	0	113.9	K62 L63 I64 G65	K62-T67 WeakPolarHBondContact O-CG2 3.33Å; L63-T67 PolarHBondContact O-OG1 2.83Å; I64-T67 PolarHBondContact N-OG1 3.44Å; I64-T67 CarbonylContact O-C 3.35Å; I64-T67 PolarHBondContact O-OG1 2.73Å; G65-T67 PolarHBondContact O-N 2.9Å
68	G	98.3	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-155	-134.2	-174	0	0	0	0	0	112.1	I64 G65 D66 V344 K350 N352 Q353	I64-G68 PolarHBondContact O-N 2.78Å; G65-G68 CarbonylContact O-C 3.28Å; G65-G68 VanDerWaalsContact O-C 3.28Å; G65-G68 PolarHBondContact O-N 3.11Å; D66-G68 VanDerWaalsContact C-N 3.31Å; G68-V344 CarbonylContact C-O 3.45Å; G68-V344 WeakPolarHBondContact CA-O 3.42Å; G68-K350 CarbonylContact C-O 3.54Å; G68-N352 PolarHBondContact O-N 3.28Å; G68-Q353 PolarHBondContact O-N 3.24Å
69	I	98.5	Very high	98.4	Very high	10 Å²	10	25 Å²	25	5%	0.051	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	-177.4	-170.2	165.6	0	0	0	111.3	F71 V344 I349 Q353 M390	I69-F71 HydrophobicContact CD1-CE2 4.44Å; I69-F71 HydrophobicContact CD1-CZ 4.37Å; I69-F71 HydrophobicContact CG1-CE2 4.36Å; I69-F71 HydrophobicContact CG2-CD2 4.45Å; I69-F71 HydrophobicContact CG2-CE2 3.8Å; I69-V344 HydrophobicContact CG2-CB 4Å; I69-V344 PolarHBondContact N-O 3.4Å; I69-V344 PolarHBondContact O-N 3.26Å; I69-I349 HydrophobicContact CB-CG2 3.97Å; I69-I349 HydrophobicContact CG2-CD1 4.37Å; I69-I349 HydrophobicContact CG2-CG2 3.88Å; I69-Q353 WeakPolarHBondContact CA-O 3.14Å; I69-Q353 HydrophobicContact CB-CB 3.82Å; I69-Q353 HydrophobicContact CD1-CB 4.06Å; I69-Q353 HydrophobicContact CG1-CB 3.72Å; I69-M390 HydrophobicContact CG2-CG 4.1Å; I69-M390 HydrophobicContact CG2-SD 4.46Å
70	T	98.6	Very high	98.4	Very high	34 Å²	34	22.2 Å²	22.2	21%	0.209	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126	170.6	-62.2	0	0	0	0	109.7	L343 Q353 T354 S355	T70-L343 HydrophobicContact CG2-CD2 3.65Å; T70-L343 VanDerWaalsContact OG1-CD2 3.29Å; T70-L343 WeakPolarHBondContact OG1-CD2 3.19Å; T70-Q353 PolarHBondContact N-O 2.81Å; T70-T354 CarbonylContact O-C 3.49Å; T70-T354 VanDerWaalsContact O-CA 3.31Å; T70-T354 WeakPolarHBondContact O-CA 3.46Å; T70-S355 PolarHBondContact O-N 2.71Å
71	F	98.4	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.4	169.8	-69	-100.3	0	0	0	108.6	I69 A74 L342 V344 S355 V359 F386 I389 M390	I69-F71 HydrophobicContact CD1-CE2 4.44Å; I69-F71 HydrophobicContact CD1-CZ 4.37Å; I69-F71 HydrophobicContact CG1-CE2 4.36Å; I69-F71 HydrophobicContact CG2-CD2 4.45Å; I69-F71 HydrophobicContact CG2-CE2 3.8Å; F71-A74 HydrophobicContact CB-CB 4.49Å; F71-L342 HydrophobicContact CB-CB 4.13Å; F71-L342 HydrophobicContact CB-CD2 3.99Å; F71-L342 HydrophobicContact CB-CG 4.27Å; F71-L342 HydrophobicContact CD2-CD2 3.73Å; F71-L342 HydrophobicContact CD2-CG 3.98Å; F71-L342 HydrophobicContact CE2-CD2 4.38Å; F71-L342 HydrophobicContact CG-CD2 3.9Å; F71-L342 HydrophobicContact CG-CG 4.41Å; F71-L342 PolarHBondContact N-O 2.82Å; F71-V344 HydrophobicContact CD2-CG2 4.45Å; F71-V344 HydrophobicContact CE2-CG2 4.18Å; F71-S355 WeakPolarHBondContact CA-O 3.18Å; F71-V359 HydrophobicContact CB-CG2 4.07Å; F71-V359 HydrophobicContact CD1-CG1 3.77Å; F71-V359 HydrophobicContact CD1-CG2 3.89Å; F71-V359 HydrophobicContact CE1-CG1 3.81Å; F71-V359 HydrophobicContact CG-CG2 4.11Å; F71-F386 HydrophobicContact CE1-CD2 4.35Å; F71-F386 HydrophobicContact CE2-CD2 4.19Å; F71-F386 HydrophobicContact CE2-CE2 4.14Å; F71-F386 AromaticContact CZ-CD2 3.71Å; F71-F386 HydrophobicContact CZ-CD2 3.71Å; F71-F386 HydrophobicContact CZ-CE2 4.13Å; F71-F386 HydrophobicContact CZ-CG 4.5Å; F71-I389 HydrophobicContact CE1-CB 4.44Å; F71-I389 HydrophobicContact CE1-CG2 3.83Å; F71-I389 HydrophobicContact CZ-CG2 4.15Å; F71-M390 HydrophobicContact CE2-CG 4.01Å; F71-M390 HydrophobicContact CE2-SD 4.39Å; F71-M390 HydrophobicContact CZ-CG 3.77Å
72	T	96.9	Very high	98.3	Very high	26 Å²	26	19.2 Å²	19.2	16%	0.16	10%	0.101	C	C	.	.	S	Bend	trans	-80.1	-24.5	-179.4	48.7	0	0	0	0	112	R339 T354 S355 Q356	T72-R339 PolarHBondContact O-NE 3.36Å; T72-R339 PolarHBondContact O-NH2 2.95Å; T72-T354 HydrophobicContact CG2-CG2 3.67Å; T72-S355 PolarHBondContact N-O 2.88Å; T72-S355 PolarHBondContact OG1-O 2.84Å; T72-S355 VanDerWaalsContact OG1-O 3.12Å; T72-Q356 PolarHBondContact OG1-NE2 3.04Å; T72-Q356 VanDerWaalsContact OG1-NE2 3.16Å; T72-Q356 PolarHBondContact OG1-OE1 3.32Å
73	N	97.9	Very high	98.3	Very high	10 Å²	10	12.4 Å²	12.4	5%	0.053	7%	0.072	C	C	.	.	S	Bend	trans	-113.2	67	-178.4	-66.1	-46.2	0	0	0	110	F75 Q356 P358 V359	N73-F75 HydrophobicContact CB-CE2 3.82Å; N73-F75 HydrophobicContact CB-CZ 4.25Å; N73-Q356 PolarHBondContact ND2-O 2.65Å; N73-Q356 PolarHBondContact ND2-OE1 3.34Å; N73-P358 CarbonylContact O-C 3.55Å; N73-P358 WeakPolarHBondContact O-CA 3.47Å; N73-V359 PolarHBondContact O-N 3.22Å
74	A	98.5	Very high	98.3	Very high	3 Å²	3	10.6 Å²	10.6	3%	0.025	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.9	174.6	0	0	0	0	0	110.1	F71 R339 V340 L342 V359	F71-A74 HydrophobicContact CB-CB 4.49Å; A74-R339 WeakPolarHBondContact O-CA 3.15Å; A74-R339 WeakPolarHBondContact O-CG 3.42Å; A74-V340 HydrophobicContact CB-CG2 4.4Å; A74-V340 PolarHBondContact O-N 2.61Å; A74-L342 HydrophobicContact CB-CB 3.57Å; A74-L342 HydrophobicContact CB-CD2 4.24Å; A74-V359 WeakPolarHBondContact CA-O 3.35Å; A74-V359 HydrophobicContact CB-CG2 3.77Å
75	F	98.8	Very high	98.3	Very high	1 Å²	1	10.8 Å²	10.8	0%	0.004	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	159.3	-172.2	-59	-78.6	0	0	0	112.2	N73 E335 I338 R339 P358 V359 A360 N361 I403 R447 V449	N73-F75 HydrophobicContact CB-CE2 3.82Å; N73-F75 HydrophobicContact CB-CZ 4.25Å; F75-E335 WeakPolarHBondContact CE1-OE1 3.31Å; F75-I338 CarbonylContact C-O 3.47Å; F75-I338 VanDerWaalsContact CA-O 3.26Å; F75-I338 WeakPolarHBondContact CA-O 3.22Å; F75-I338 HydrophobicContact CD1-CD1 4.1Å; F75-I338 HydrophobicContact CD1-CG1 4.21Å; F75-I338 HydrophobicContact CE1-CD1 4.49Å; F75-R339 HydrophobicContact CD1-CB 4.01Å; F75-R339 HydrophobicContact CD1-CG 4.18Å; F75-R339 HydrophobicContact CE1-CB 3.96Å; F75-R339 HydrophobicContact CE1-CG 3.91Å; F75-P358 HydrophobicContact CE2-CB 4.38Å; F75-V359 PolarHBondContact N-O 2.79Å; F75-A360 CarbonylContact O-C 3.5Å; F75-A360 WeakPolarHBondContact O-CA 3.33Å; F75-N361 PolarHBondContact O-N 3.22Å; F75-I403 HydrophobicContact CB-CG2 4.15Å; F75-I403 HydrophobicContact CD2-CG1 3.89Å; F75-R447 HydrophobicContact CD1-CG 4.26Å; F75-R447 HydrophobicContact CD2-CG 4.48Å; F75-R447 HydrophobicContact CE1-CG 3.88Å; F75-R447 HydrophobicContact CE2-CG 4.09Å; F75-R447 HydrophobicContact CZ-CG 3.78Å; F75-V449 HydrophobicContact CE2-CG2 4.04Å; F75-V449 HydrophobicContact CZ-CG2 4.17Å
76	V	98.8	Very high	98.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.061	C	C	.	.			trans	-103.6	143.6	174.2	-56.9	0	0	0	0	110.1	S78 D316 N317 I338 V340	V76-S78 VanDerWaalsContact CG2-O 3.27Å; V76-S78 WeakPolarHBondContact CG2-O 3.35Å; V76-S78 PolarHBondContact O-N 3.09Å; V76-D316 WeakPolarHBondContact CG1-O 3.26Å; V76-N317 HydrophobicContact CG2-CB 4.44Å; V76-I338 HydrophobicContact CG2-CB 4.46Å; V76-I338 PolarHBondContact N-O 2.96Å; V76-V340 HydrophobicContact CG1-CB 4.37Å; V76-V340 HydrophobicContact CG1-CG1 3.6Å; V76-V340 HydrophobicContact CG1-CG2 3.82Å
77	A	98.4	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-68.4	-20.2	175.4	0	0	0	0	0	113	Y93 N361 V362 V405 E406	A77-Y93 HydrophobicContact CB-CD1 3.64Å; A77-Y93 HydrophobicContact CB-CE1 3.98Å; A77-N361 VanDerWaalsContact CB-OD1 3.31Å; A77-N361 WeakPolarHBondContact CB-OD1 3.24Å; A77-N361 PolarHBondContact N-ND2 3.07Å; A77-N361 PolarHBondContact N-OD1 3.17Å; A77-V362 HydrophobicContact CB-CG1 3.9Å; A77-V405 CarbonylContact O-C 3.31Å; A77-V405 WeakPolarHBondContact O-CA 3.12Å; A77-E406 PolarHBondContact O-N 3Å
78	S	98.6	Very high	98.4	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.014	3%	0.026	C	C	.	.	S	Bend	trans	-153.6	136.1	174.2	-171.6	0	0	0	0	109.8	V76 L80 S84 E406	V76-S78 VanDerWaalsContact CG2-O 3.27Å; V76-S78 WeakPolarHBondContact CG2-O 3.35Å; V76-S78 PolarHBondContact O-N 3.09Å; S78-L80 PolarHBondContact O-N 2.97Å; S78-S84 WeakPolarHBondContact O-CB 3.45Å; S78-E406 VanDerWaalsContact CA-O 3.32Å; S78-E406 WeakPolarHBondContact CA-O 3.29Å; S78-E406 WeakPolarHBondContact CB-O 3.44Å; S78-E406 PolarHBondContact OG-O 3.24Å
79	P	98.1	Very high	98.4	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.027	C	C	.	.	S	Bend	trans	-83.4	43.2	179.4	30.3	-28.2	0	0	0	112.6	K330 R331 D337 I338 Y407 Y443	P79-K330 WeakPolarHBondContact O-CB 3.3Å; P79-K330 VanDerWaalsContact O-CG 3.31Å; P79-K330 WeakPolarHBondContact O-CG 3.29Å; P79-R331 PolarHBondContact O-N 3.27Å; P79-R331 VanDerWaalsContact O-N 3.13Å; P79-D337 HydrophobicContact CB-CB 4.08Å; P79-I338 HydrophobicContact CB-CG2 4.18Å; P79-I338 HydrophobicContact CG-CG2 4.23Å; P79-Y407 HydrophobicContact CG-CD2 4.43Å; P79-Y443 WeakPolarHBondContact CG-OH 3.37Å
80	L	98.1	Very high	98.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-144.9	143.2	177.7	-170.6	63.7	0	0	0	111.5	S78 P83 S84 N101 N102 K330 R331 Y407	S78-L80 PolarHBondContact O-N 2.97Å; L80-P83 HydrophobicContact CB-CG 4.3Å; L80-P83 HydrophobicContact CD2-CG 4.3Å; L80-P83 WeakPolarHBondContact O-CD 3.37Å; L80-S84 WeakPolarHBondContact O-CB 3.39Å; L80-S84 PolarHBondContact O-N 3.25Å; L80-N101 HydrophobicContact CD2-CB 4.17Å; L80-N102 WeakPolarHBondContact CD1-ND2 3.4Å; L80-K330 HydrophobicContact CD1-CG 4.33Å; L80-R331 HydrophobicContact CD1-CG 4.1Å; L80-Y407 HydrophobicContact CB-CD2 4.41Å; L80-Y407 HydrophobicContact CB-CE2 4.01Å; L80-Y407 HydrophobicContact CD2-CE2 3.94Å; L80-Y407 HydrophobicContact CG-CE2 4.47Å
81	C	97.9	Very high	98.4	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-50.7	-65	-169.9	-58.9	0	0	0	0	114.5	S84 R85 N142 K330	C81-S84 PolarHBondContact O-N 3.45Å; C81-R85 VanDerWaalsContact O-CB 3.24Å; C81-R85 WeakPolarHBondContact O-CB 3.35Å; C81-R85 WeakPolarHBondContact O-CD 3.32Å; C81-R85 WeakPolarHBondContact O-CG 3.15Å; C81-R85 PolarHBondContact O-N 2.85Å; C81-N142 VanDerWaalsContact CB-OD1 3.31Å; C81-N142 WeakPolarHBondContact CB-OD1 3.39Å; C81-K330 PolarHBondContact SG-NZ 3.28Å
82	C	98	Very high	98.5	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-64.5	-48.4	-174.1	-67.2	0	0	0	0	113.3	S84 R85 A86 V99 N101 N102 C108 L141 N142	C82-S84 VanDerWaalsContact C-N 3.34Å; C82-S84 PolarHBondContact O-N 3.07Å; C82-R85 PolarHBondContact O-N 3.14Å; C82-A86 WeakPolarHBondContact O-CB 3.41Å; C82-A86 PolarHBondContact O-N 3.45Å; C82-V99 HydrophobicContact CB-CG1 3.9Å; C82-N101 WeakPolarHBondContact CB-O 3.31Å; C82-N102 WeakPolarHBondContact CB-OD1 3.47Å; C82-N102 PolarHBondContact N-OD1 3.32Å; C82-N102 PolarHBondContact SG-OD1 2.86Å; C82-N102 VanDerWaalsContact SG-OD1 3.35Å; C82-C108 HydrophobicContact CB-CB 3.51Å; C82-C108 WeakPolarHBondContact CB-SG 3.44Å; C82-C108 WeakPolarHBondContact SG-CB 3.47Å; C82-C108 CovalentContact SG-SG 2.02Å; C82-C108 PolarHBondContact SG-SG 3.45Å; C82-L141 HydrophobicContact CB-CD2 4.32Å; C82-N142 WeakPolarHBondContact SG-CB 3.37Å; C82-N142 PolarHBondContact SG-N 2.56Å; C82-N142 PolarHBondContact SG-OD1 2.96Å
83	P	98.7	Very high	98.6	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-56.8	-46.8	175.9	-27.9	37.8	0	0	0	112.1	L80 A86 S87 H97 V99 I100	L80-P83 HydrophobicContact CB-CG 4.3Å; L80-P83 HydrophobicContact CD2-CG 4.3Å; L80-P83 WeakPolarHBondContact O-CD 3.37Å; P83-A86 WeakPolarHBondContact O-CB 3.36Å; P83-A86 PolarHBondContact O-N 3.24Å; P83-S87 PolarHBondContact O-N 2.82Å; P83-S87 PolarHBondContact O-OG 3.46Å; P83-H97 PolarHBondContact O-CE1 2.87Å; P83-H97 PolarHBondContact O-NE2 2.89Å; P83-V99 WeakPolarHBondContact CB-O 3.32Å; P83-V99 HydrophobicContact CG-CG1 4.46Å; P83-I100 VanDerWaalsContact CG-C 3.46Å; P83-I100 WeakPolarHBondContact CG-O 3.33Å
84	S	98.8	Very high	98.6	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.9	-46.4	179.2	-175.7	0	0	0	0	113.3	S78 L80 C81 C82 A86 S87 I88 D316 N361	S78-S84 WeakPolarHBondContact O-CB 3.45Å; L80-S84 WeakPolarHBondContact O-CB 3.39Å; L80-S84 PolarHBondContact O-N 3.25Å; C81-S84 PolarHBondContact O-N 3.45Å; C82-S84 VanDerWaalsContact C-N 3.34Å; C82-S84 PolarHBondContact O-N 3.07Å; S84-A86 VanDerWaalsContact C-N 3.3Å; S84-A86 PolarHBondContact O-N 2.9Å; S84-S87 CarbonylContact O-C 3.53Å; S84-S87 WeakPolarHBondContact O-CA 3.5Å; S84-S87 VanDerWaalsContact O-CB 3.27Å; S84-S87 WeakPolarHBondContact O-CB 3.43Å; S84-S87 PolarHBondContact O-N 3.12Å; S84-I88 WeakPolarHBondContact O-CG1 3.39Å; S84-I88 PolarHBondContact O-N 3.21Å; S84-D316 WeakPolarHBondContact CB-O 3.43Å; S84-D316 PolarHBondContact OG-O 3.41Å; S84-N361 PolarHBondContact O-ND2 3.34Å; S84-N361 PolarHBondContact OG-ND2 2.94Å
85	R	98.8	Very high	98.6	Very high	4 Å²	4	3.7 Å²	3.7	2%	0.015	2%	0.018	C	C	.	.	H	α-helix	trans	-65.4	-36	178.5	-71.1	166	175.3	-78.3	-9.6	111.4	D45 C81 C82 S87 I88 L89 K139 Y140 L141 S220 D316	D45-R85 IonicContact OD2-CZ 3.12Å; D45-R85 IonicContact OD2-NE 3.88Å; D45-R85 IonicContact OD2-NH2 2.73Å; D45-R85 PolarHBondContact OD2-NH2 2.78Å; C81-R85 VanDerWaalsContact O-CB 3.24Å; C81-R85 WeakPolarHBondContact O-CB 3.35Å; C81-R85 WeakPolarHBondContact O-CD 3.32Å; C81-R85 WeakPolarHBondContact O-CG 3.15Å; C81-R85 PolarHBondContact O-N 2.85Å; C82-R85 PolarHBondContact O-N 3.14Å; R85-S87 VanDerWaalsContact C-N 3.32Å; R85-I88 PolarHBondContact O-N 3.3Å; R85-L89 WeakPolarHBondContact O-CB 3.2Å; R85-L89 WeakPolarHBondContact O-CD1 3.4Å; R85-L89 VanDerWaalsContact O-CG 3.26Å; R85-L89 WeakPolarHBondContact O-CG 3.41Å; R85-L89 PolarHBondContact O-N 3.41Å; R85-K139 PolarHBondContact NH1-O 3.42Å; R85-Y140 WeakPolarHBondContact CD-O 3.14Å; R85-L141 HydrophobicContact CB-CD2 3.54Å; R85-S220 PolarHBondContact NH1-OG 3.23Å; R85-D316 HydrophobicContact CG-CB 3.86Å; R85-D316 IonicContact CZ-OD2 3.57Å; R85-D316 IonicContact NE-OD2 3.74Å; R85-D316 PolarHBondContact NE-OD2 3.37Å; R85-D316 IonicContact NH2-OD2 3.44Å; R85-D316 PolarHBondContact NH2-OD2 2.68Å
86	A	98.8	Very high	98.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.1	-41.8	170.2	0	0	0	0	0	111.1	C82 P83 S84 L89 T90 V99 W113	C82-A86 WeakPolarHBondContact O-CB 3.41Å; C82-A86 PolarHBondContact O-N 3.45Å; P83-A86 WeakPolarHBondContact O-CB 3.36Å; P83-A86 PolarHBondContact O-N 3.24Å; S84-A86 VanDerWaalsContact C-N 3.3Å; S84-A86 PolarHBondContact O-N 2.9Å; A86-L89 PolarHBondContact O-N 2.96Å; A86-T90 WeakPolarHBondContact O-CB 3.41Å; A86-T90 WeakPolarHBondContact O-CG2 3.3Å; A86-T90 PolarHBondContact O-N 3.14Å; A86-T90 PolarHBondContact O-OG1 2.9Å; A86-V99 HydrophobicContact CB-CB 3.91Å; A86-V99 HydrophobicContact CB-CG1 4.3Å; A86-V99 HydrophobicContact CB-CG2 3.85Å; A86-W113 HydrophobicContact CB-CE3 4.49Å; A86-W113 HydrophobicContact CB-CH2 3.67Å; A86-W113 HydrophobicContact CB-CZ3 3.56Å
87	S	98.9	Very high	98.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62	-40.9	173.7	-55.3	0	0	0	0	112.9	P83 S84 R85 G91 K92 H97	P83-S87 PolarHBondContact O-N 2.82Å; P83-S87 PolarHBondContact O-OG 3.46Å; S84-S87 CarbonylContact O-C 3.53Å; S84-S87 WeakPolarHBondContact O-CA 3.5Å; S84-S87 VanDerWaalsContact O-CB 3.27Å; S84-S87 WeakPolarHBondContact O-CB 3.43Å; S84-S87 PolarHBondContact O-N 3.12Å; R85-S87 VanDerWaalsContact C-N 3.32Å; S87-G91 WeakPolarHBondContact O-CA 3.39Å; S87-G91 PolarHBondContact O-N 2.76Å; S87-K92 WeakPolarHBondContact CA-O 3.46Å; S87-K92 WeakPolarHBondContact CB-O 3.45Å; S87-K92 PolarHBondContact OG-O 2.75Å; S87-H97 PolarHBondContact N-NE2 3.05Å; S87-H97 PolarHBondContact OG-NE2 2.98Å
88	I	98.9	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-60.2	-49.7	174	-66.3	169.9	0	0	0	110.9	L41 L43 S84 R85 F122 D316 N361 L364	L41-I88 HydrophobicContact CD2-CG2 4.39Å; L43-I88 HydrophobicContact CD1-CD1 3.82Å; L43-I88 HydrophobicContact CD2-CD1 3.97Å; S84-I88 WeakPolarHBondContact O-CG1 3.39Å; S84-I88 PolarHBondContact O-N 3.21Å; R85-I88 PolarHBondContact O-N 3.3Å; I88-F122 HydrophobicContact CG2-CE1 4.38Å; I88-F122 WeakPolarHBondContact O-CD1 3.47Å; I88-F122 WeakPolarHBondContact O-CE1 3.39Å; I88-D316 HydrophobicContact CD1-CB 4.48Å; I88-N361 HydrophobicContact CG1-CB 3.81Å; I88-L364 HydrophobicContact CG1-CD1 4.13Å; I88-L364 HydrophobicContact CG2-CD1 4.13Å
89	L	98.9	Very high	98.5	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-71.1	-38.5	-173.4	-70	165.5	0	0	0	112.7	R85 A86 W113 T121 F122 P123 Y140 M218	R85-L89 WeakPolarHBondContact O-CB 3.2Å; R85-L89 WeakPolarHBondContact O-CD1 3.4Å; R85-L89 VanDerWaalsContact O-CG 3.26Å; R85-L89 WeakPolarHBondContact O-CG 3.41Å; R85-L89 PolarHBondContact O-N 3.41Å; A86-L89 PolarHBondContact O-N 2.96Å; L89-W113 HydrophobicContact CD1-CZ2 4.17Å; L89-T121 HydrophobicContact CB-CG2 3.84Å; L89-T121 CarbonylContact O-C 3.58Å; L89-T121 WeakPolarHBondContact O-CA 3.31Å; L89-T121 WeakPolarHBondContact O-CB 3.45Å; L89-F122 HydrophobicContact CD2-CE1 4.29Å; L89-F122 WeakPolarHBondContact O-CD1 3.26Å; L89-F122 PolarHBondContact O-N 3.18Å; L89-P123 HydrophobicContact CD2-CG 4.31Å; L89-Y140 HydrophobicContact CD1-CD2 4.04Å; L89-Y140 HydrophobicContact CD1-CE2 3.33Å; L89-Y140 HydrophobicContact CD2-CE2 4.19Å; L89-Y140 HydrophobicContact CG-CE2 4.41Å; L89-M218 HydrophobicContact CD2-SD 4.48Å
90	T	98.8	Very high	98.4	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	6%	0.062	C	C	.	.	H	α-helix	trans	-96.5	-17.1	-175.2	61.3	0	0	0	0	113.4	A86 K92 H97 W113 Q117 T121 M381	A86-T90 WeakPolarHBondContact O-CB 3.41Å; A86-T90 WeakPolarHBondContact O-CG2 3.3Å; A86-T90 PolarHBondContact O-N 3.14Å; A86-T90 PolarHBondContact O-OG1 2.9Å; T90-K92 PolarHBondContact O-N 2.93Å; T90-K92 WeakPolarHBondContact OG1-CB 3.24Å; T90-K92 PolarHBondContact OG1-N 3.46Å; T90-H97 HydrophobicContact CG2-CB 4.5Å; T90-W113 HydrophobicContact CG2-CH2 3.55Å; T90-W113 HydrophobicContact CG2-CZ3 3.88Å; T90-Q117 HydrophobicContact CG2-CB 4.1Å; T90-T121 HydrophobicContact CG2-CG2 4.13Å; T90-M381 WeakPolarHBondContact O-CG 3.43Å
91	G	98.7	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	65	21.4	-170.4	0	0	0	0	0	113.7	S87 V362 M381 D382 G383	S87-G91 WeakPolarHBondContact O-CA 3.39Å; S87-G91 PolarHBondContact O-N 2.76Å; G91-V362 VanDerWaalsContact CA-O 3.28Å; G91-V362 WeakPolarHBondContact CA-O 3.01Å; G91-M381 CarbonylContact O-C 3.59Å; G91-D382 PolarHBondContact O-N 3.4Å; G91-G383 PolarHBondContact O-N 2.86Å; G91-G383 VanDerWaalsContact O-N 3.08Å
92	K	98.8	Very high	98.4	Very high	16 Å²	16	15 Å²	15	7%	0.07	7%	0.074	C	C	.	.			trans	-115.7	152.9	-176.5	-66.2	176.9	173.8	-174.8	0	111.9	S87 T90 N96 H97 V362 Q380 D382	S87-K92 WeakPolarHBondContact CA-O 3.46Å; S87-K92 WeakPolarHBondContact CB-O 3.45Å; S87-K92 PolarHBondContact OG-O 2.75Å; T90-K92 PolarHBondContact O-N 2.93Å; T90-K92 WeakPolarHBondContact OG1-CB 3.24Å; T90-K92 PolarHBondContact OG1-N 3.46Å; K92-N96 HydrophobicContact CB-CB 4.04Å; K92-N96 HydrophobicContact CD-CB 4.21Å; K92-N96 HydrophobicContact CG-CB 4.4Å; K92-H97 HydrophobicContact CB-CB 4.31Å; K92-H97 HydrophobicContact CD-CB 4.5Å; K92-H97 PolarHBondContact O-CD2 3.5Å; K92-V362 VanDerWaalsContact O-CG1 3.29Å; K92-V362 WeakPolarHBondContact O-CG1 3.4Å; K92-Q380 VanDerWaalsContact CE-O 3.24Å; K92-Q380 WeakPolarHBondContact CE-O 3.41Å; K92-D382 WeakPolarHBondContact CA-OD2 3.35Å; K92-D382 WeakPolarHBondContact CB-OD2 3.31Å
93	Y	98.8	Very high	98.3	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.008	9%	0.087	C	C	.	.			trans	-74.4	158.8	169.4	-71	-75.9	0	0	0	111.7	A77 H95 N96 H97 V362 D382 R400 L404 C509	A77-Y93 HydrophobicContact CB-CD1 3.64Å; A77-Y93 HydrophobicContact CB-CE1 3.98Å; Y93-H95 VanDerWaalsContact C-N 3.29Å; Y93-H95 VanDerWaalsContact CB-CE1 3.46Å; Y93-H95 WeakPolarHBondContact CB-CE1 3.47Å; Y93-H95 PolarHBondContact O-N 3.31Å; Y93-N96 PolarHBondContact O-N 3.31Å; Y93-H97 PolarHBondContact O-CD2 3.44Å; Y93-H97 PolarHBondContact O-N 2.91Å; Y93-V362 HydrophobicContact CD1-CG1 4.12Å; Y93-V362 HydrophobicContact CE1-CG1 4.19Å; Y93-V362 HydrophobicContact CE1-CG2 4.02Å; Y93-V362 HydrophobicContact CE2-CG2 4.21Å; Y93-V362 HydrophobicContact CG-CG1 4.33Å; Y93-D382 HydrophobicContact CD2-CB 3.67Å; Y93-D382 HydrophobicContact CE2-CB 4Å; Y93-D382 PolarHBondContact N-OD2 3.02Å; Y93-R400 PolarHBondContact OH-NH1 3.25Å; Y93-R400 VanDerWaalsContact OH-NH1 3.11Å; Y93-L404 HydrophobicContact CD1-CB 4.03Å; Y93-L404 HydrophobicContact CD1-CD2 4.09Å; Y93-L404 HydrophobicContact CD1-CG 4.32Å; Y93-L404 HydrophobicContact CE1-CB 3.7Å; Y93-L404 HydrophobicContact CE1-CG 4.47Å; Y93-L404 VanDerWaalsContact CE1-O 3.28Å; Y93-L404 WeakPolarHBondContact CE1-O 3.5Å; Y93-L404 HydrophobicContact CG-CD2 4.09Å; Y93-C509 HydrophobicContact CE2-CB 4.41Å
94	P	98.4	Very high	98.2	Very high	10 Å²	10	18.6 Å²	18.6	7%	0.065	9%	0.094	C	C	.	.	H	α-helix	trans	-46.1	-45.1	179.6	-33.7	37.7	0	0	0	115.4	N96 H97 H98 E406	P94-N96 PolarHBondContact O-N 2.98Å; P94-N96 VanDerWaalsContact O-N 3.16Å; P94-H97 VanDerWaalsContact CA-CE1 3.46Å; P94-H97 WeakPolarHBondContact CA-CE1 3.49Å; P94-H97 WeakPolarHBondContact CA-NE2 3.32Å; P94-H97 PolarHBondContact O-N 3.07Å; P94-H98 WeakPolarHBondContact O-CA 3.29Å; P94-H98 PolarHBondContact O-N 2.87Å; P94-E406 HydrophobicContact CB-CB 4.25Å; P94-E406 WeakPolarHBondContact CD-OE2 3.47Å; P94-E406 HydrophobicContact CG-CB 4.12Å
95	H	98.1	Very high	98.1	Very high	34 Å²	34	26.7 Å²	26.7	16%	0.157	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-20.5	179.3	64.6	-93.2	0	0	0	114.6	Y93 H98 E406 L501 C504	Y93-H95 VanDerWaalsContact C-N 3.29Å; Y93-H95 VanDerWaalsContact CB-CE1 3.46Å; Y93-H95 WeakPolarHBondContact CB-CE1 3.47Å; Y93-H95 PolarHBondContact O-N 3.31Å; H95-H98 PolarHBondContact O-CE1 3.22Å; H95-H98 PolarHBondContact O-ND1 2.67Å; H95-H98 VanDerWaalsContact O-ND1 3.14Å; H95-E406 IonicContact CE1-OE2 2.95Å; H95-E406 IonicContact CG-OE1 3.18Å; H95-E406 IonicContact CG-OE2 3.31Å; H95-E406 PolarHBondContact N-OE2 3.4Å; H95-E406 VanDerWaalsContact ND1-CD 3.26Å; H95-E406 IonicContact ND1-OE1 3.66Å; H95-E406 PolarHBondContact ND1-OE1 3.23Å; H95-E406 IonicContact ND1-OE2 3.58Å; H95-E406 PolarHBondContact ND1-OE2 2.93Å; H95-L501 PolarHBondContact CE1-O 3.12Å; H95-C504 PolarHBondContact NE2-O 3.35Å
96	N	98.4	Very high	98	Very high	26 Å²	26	26.5 Å²	26.5	14%	0.139	13%	0.132	C	C	.	.	H	α-helix	trans	-99.4	-24.7	-178.6	-79.6	-40.4	0	0	0	114.3	K92 Y93 P94 D382 C504 S505	K92-N96 HydrophobicContact CB-CB 4.04Å; K92-N96 HydrophobicContact CD-CB 4.21Å; K92-N96 HydrophobicContact CG-CB 4.4Å; Y93-N96 PolarHBondContact O-N 3.31Å; P94-N96 PolarHBondContact O-N 2.98Å; P94-N96 VanDerWaalsContact O-N 3.16Å; N96-D382 VanDerWaalsContact ND2-CG 3.31Å; N96-D382 PolarHBondContact ND2-OD1 2.86Å; N96-D382 PolarHBondContact ND2-OD2 3.14Å; N96-C504 PolarHBondContact ND2-O 2.63Å; N96-C504 PolarHBondContact OD1-O 3.43Å; N96-S505 PolarHBondContact OD1-OG 3.16Å
97	H	98.2	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-100.4	-12	173.1	62.8	67.7	0	0	0	113.6	P83 S87 T90 K92 Y93 P94 V99 Q117	P83-H97 PolarHBondContact O-CE1 2.87Å; P83-H97 PolarHBondContact O-NE2 2.89Å; S87-H97 PolarHBondContact N-NE2 3.05Å; S87-H97 PolarHBondContact OG-NE2 2.98Å; T90-H97 HydrophobicContact CG2-CB 4.5Å; K92-H97 HydrophobicContact CB-CB 4.31Å; K92-H97 HydrophobicContact CD-CB 4.5Å; K92-H97 PolarHBondContact O-CD2 3.5Å; Y93-H97 PolarHBondContact O-CD2 3.44Å; Y93-H97 PolarHBondContact O-N 2.91Å; P94-H97 VanDerWaalsContact CA-CE1 3.46Å; P94-H97 WeakPolarHBondContact CA-CE1 3.49Å; P94-H97 WeakPolarHBondContact CA-NE2 3.32Å; P94-H97 PolarHBondContact O-N 3.07Å; H97-V99 VanDerWaalsContact C-N 3.28Å; H97-V99 PolarHBondContact CE1-O 2.93Å; H97-V99 WeakPolarHBondContact ND1-CB 3.24Å; H97-V99 PolarHBondContact ND1-N 3.12Å; H97-V99 PolarHBondContact O-N 2.87Å; H97-Q117 HydrophobicContact CB-CG 4.45Å
98	H	98	Very high	97.9	Very high	118 Å²	118	27.6 Å²	27.6	55%	0.546	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	35.8	175.8	-47.4	-62.3	0	0	0	113.7	P94 H95 N107	P94-H98 WeakPolarHBondContact O-CA 3.29Å; P94-H98 PolarHBondContact O-N 2.87Å; H95-H98 PolarHBondContact O-CE1 3.22Å; H95-H98 PolarHBondContact O-ND1 2.67Å; H95-H98 VanDerWaalsContact O-ND1 3.14Å; H98-N107 WeakPolarHBondContact O-CB 3.12Å; H98-N107 PolarHBondContact O-ND2 3Å
99	V	98.4	Very high	97.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.			trans	-107.7	113	168.8	-178.3	0	0	0	0	105.9	C82 P83 A86 H97 G106 N107 C108 W113	C82-V99 HydrophobicContact CB-CG1 3.9Å; P83-V99 WeakPolarHBondContact CB-O 3.32Å; P83-V99 HydrophobicContact CG-CG1 4.46Å; A86-V99 HydrophobicContact CB-CB 3.91Å; A86-V99 HydrophobicContact CB-CG1 4.3Å; A86-V99 HydrophobicContact CB-CG2 3.85Å; H97-V99 VanDerWaalsContact C-N 3.28Å; H97-V99 PolarHBondContact CE1-O 2.93Å; H97-V99 WeakPolarHBondContact ND1-CB 3.24Å; H97-V99 PolarHBondContact ND1-N 3.12Å; H97-V99 PolarHBondContact O-N 2.87Å; V99-G106 WeakPolarHBondContact CA-O 3.45Å; V99-N107 HydrophobicContact CG2-CB 4.24Å; V99-C108 HydrophobicContact CG1-CB 4.35Å; V99-W113 HydrophobicContact CG2-CD2 4.4Å; V99-W113 HydrophobicContact CG2-CE3 3.43Å; V99-W113 VanDerWaalsContact CG2-CE3 3.43Å; V99-W113 HydrophobicContact CG2-CZ3 3.74Å
100	I	96.8	Very high	97.8	Very high	50 Å²	50	28.2 Å²	28.2	26%	0.256	14%	0.142	S	C	.	.			trans	-113.1	-25.5	-164.2	57.4	165.8	0	0	0	112.6	P83 G106 E408	P83-I100 VanDerWaalsContact CG-C 3.46Å; P83-I100 WeakPolarHBondContact CG-O 3.33Å; I100-G106 PolarHBondContact N-O 3.41Å; I100-E408 HydrophobicContact CB-CB 4.25Å; I100-E408 VanDerWaalsContact CB-OE2 3.23Å; I100-E408 WeakPolarHBondContact CB-OE2 3.4Å; I100-E408 VanDerWaalsContact CD1-CD 3.48Å; I100-E408 WeakPolarHBondContact CD1-OE1 3.47Å; I100-E408 VanDerWaalsContact CD1-OE2 3.29Å; I100-E408 WeakPolarHBondContact CD1-OE2 3.16Å; I100-E408 WeakPolarHBondContact CG2-OE2 3.43Å
101	N	97.3	Very high	97.8	Very high	27 Å²	27	33 Å²	33	14%	0.144	17%	0.167	C	C	.	.	S	Bend	trans	-151.7	-171.1	175.5	69.4	34.5	0	0	0	112.3	L80 C82 T103 G106 C108 E410	L80-N101 HydrophobicContact CD2-CB 4.17Å; C82-N101 WeakPolarHBondContact CB-O 3.31Å; N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 PolarHBondContact O-N 2.81Å; N101-T103 WeakPolarHBondContact OD1-CB 3.46Å; N101-T103 PolarHBondContact OD1-N 3.31Å; N101-T103 PolarHBondContact OD1-OG1 3.21Å; N101-G106 WeakPolarHBondContact OD1-CA 3.31Å; N101-C108 WeakPolarHBondContact O-CB 3.35Å; N101-E410 HydrophobicContact CB-CG 4.1Å; N101-E410 WeakPolarHBondContact CB-OE1 3.43Å
102	N	97.2	Very high	97.8	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.112	19%	0.19	C	C	.	.	S	Bend	trans	-85.1	3.5	-175.2	-71.1	-31.4	0	0	0	114.9	L80 C82 N142 Q143	L80-N102 WeakPolarHBondContact CD1-ND2 3.4Å; C82-N102 WeakPolarHBondContact CB-OD1 3.47Å; C82-N102 PolarHBondContact N-OD1 3.32Å; C82-N102 PolarHBondContact SG-OD1 2.86Å; C82-N102 VanDerWaalsContact SG-OD1 3.35Å; N102-N142 HydrophobicContact CB-CB 4.29Å; N102-N142 VanDerWaalsContact CG-ND2 3.29Å; N102-N142 PolarHBondContact OD1-ND2 3.02Å; N102-Q143 WeakPolarHBondContact O-CG 3.3Å; N102-Q143 PolarHBondContact O-NE2 3.46Å
103	T	96.9	Very high	97.8	Very high	43 Å²	43	34.9 Å²	34.9	26%	0.264	19%	0.186	S	C	.	.	S	Bend	trans	-96.9	163.8	-176.5	74.3	0	0	0	0	112.2	N101 Q105 G106 N107 C108	N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 PolarHBondContact O-N 2.81Å; N101-T103 WeakPolarHBondContact OD1-CB 3.46Å; N101-T103 PolarHBondContact OD1-N 3.31Å; N101-T103 PolarHBondContact OD1-OG1 3.21Å; T103-Q105 VanDerWaalsContact C-N 3.27Å; T103-Q105 PolarHBondContact O-N 2.79Å; T103-Q105 PolarHBondContact OG1-N 2.81Å; T103-G106 CarbonylContact O-C 3.57Å; T103-G106 PolarHBondContact O-N 2.9Å; T103-G106 PolarHBondContact OG1-N 3.09Å; T103-N107 PolarHBondContact O-N 3.05Å; T103-C108 VanDerWaalsContact O-CB 3.26Å; T103-C108 WeakPolarHBondContact O-CB 3.37Å; T103-C108 PolarHBondContact O-N 3.49Å
104	L	96.9	Very high	97.7	Very high	31 Å²	31	36.1 Å²	36.1	16%	0.162	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-37.2	172.7	-71.4	171.5	0	0	0	111.5	G106 N107 Q143 D148 A149	L104-G106 VanDerWaalsContact C-N 3.34Å; L104-N107 WeakPolarHBondContact O-CA 3.48Å; L104-N107 PolarHBondContact O-N 3.25Å; L104-Q143 HydrophobicContact CD2-CB 3.59Å; L104-Q143 HydrophobicContact CD2-CG 4.02Å; L104-Q143 HydrophobicContact CG-CB 4.05Å; L104-Q143 HydrophobicContact CG-CG 3.96Å; L104-D148 HydrophobicContact CD1-CB 4.01Å; L104-A149 HydrophobicContact CD2-CB 3.86Å
105	Q	96.1	Very high	97.7	Very high	170 Å²	170	44.2 Å²	44.2	79%	0.794	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-38.2	178.1	-66.4	76.7	8.1	0	0	111.3	T103 N107	T103-Q105 VanDerWaalsContact C-N 3.27Å; T103-Q105 PolarHBondContact O-N 2.79Å; T103-Q105 PolarHBondContact OG1-N 2.81Å; Q105-N107 PolarHBondContact O-N 3.31Å; Q105-N107 VanDerWaalsContact O-N 3.12Å
106	G	96.8	Very high	97.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	18.7	169.7	0	0	0	0	0	114.1	V99 I100 N101 T103 L104 C108	V99-G106 WeakPolarHBondContact CA-O 3.45Å; I100-G106 PolarHBondContact N-O 3.41Å; N101-G106 WeakPolarHBondContact OD1-CA 3.31Å; T103-G106 CarbonylContact O-C 3.57Å; T103-G106 PolarHBondContact O-N 2.9Å; T103-G106 PolarHBondContact OG1-N 3.09Å; L104-G106 VanDerWaalsContact C-N 3.34Å; G106-C108 VanDerWaalsContact C-N 3.26Å; G106-C108 PolarHBondContact O-N 2.89Å
107	N	98	Very high	97.6	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	12.1	175.8	-161	25.3	0	0	0	115.4	H98 V99 T103 L104 Q105 S109 S110 W113	H98-N107 WeakPolarHBondContact O-CB 3.12Å; H98-N107 PolarHBondContact O-ND2 3Å; V99-N107 HydrophobicContact CG2-CB 4.24Å; T103-N107 PolarHBondContact O-N 3.05Å; L104-N107 WeakPolarHBondContact O-CA 3.48Å; L104-N107 PolarHBondContact O-N 3.25Å; Q105-N107 PolarHBondContact O-N 3.31Å; Q105-N107 VanDerWaalsContact O-N 3.12Å; N107-S109 PolarHBondContact O-N 2.95Å; N107-S110 PolarHBondContact OD1-OG 2.92Å; N107-W113 WeakPolarHBondContact O-CB 3.39Å; N107-W113 WeakPolarHBondContact OD1-CB 3.27Å; N107-W113 PolarHBondContact OD1-N 2.67Å
108	C	97.9	Very high	97.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	115.3	176.3	-176.6	0	0	0	0	110.9	C82 V99 N101 T103 G106 S110 N142 Q143	C82-C108 HydrophobicContact CB-CB 3.51Å; C82-C108 WeakPolarHBondContact CB-SG 3.44Å; C82-C108 WeakPolarHBondContact SG-CB 3.47Å; C82-C108 CovalentContact SG-SG 2.02Å; C82-C108 PolarHBondContact SG-SG 3.45Å; V99-C108 HydrophobicContact CG1-CB 4.35Å; N101-C108 WeakPolarHBondContact O-CB 3.35Å; T103-C108 VanDerWaalsContact O-CB 3.26Å; T103-C108 WeakPolarHBondContact O-CB 3.37Å; T103-C108 PolarHBondContact O-N 3.49Å; G106-C108 VanDerWaalsContact C-N 3.26Å; G106-C108 PolarHBondContact O-N 2.89Å; C108-S110 PolarHBondContact O-N 3.31Å; C108-N142 PolarHBondContact SG-N 2.78Å; C108-N142 VanDerWaalsContact SG-N 3.37Å; C108-Q143 HydrophobicContact CB-CG 4.26Å; C108-Q143 WeakPolarHBondContact O-CB 3.18Å
109	S	97.9	Very high	97.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	8.4	-175.9	-51.2	0	0	0	0	116.3	N107 Q114 L141 Y144 A149	N107-S109 PolarHBondContact O-N 2.95Å; S109-Q114 PolarHBondContact O-NE2 3.26Å; S109-L141 WeakPolarHBondContact OG-CB 3.39Å; S109-Y144 PolarHBondContact OG-N 3.4Å; S109-A149 WeakPolarHBondContact O-CB 3.32Å
110	S	98.2	Very high	97.4	Very high	16 Å²	16	46.1 Å²	46.1	11%	0.112	25%	0.246	C	C	.	.			trans	-61.5	165.3	-175.4	91.1	0	0	0	0	111.8	N107 C108 A112 W113 Q114	N107-S110 PolarHBondContact OD1-OG 2.92Å; C108-S110 PolarHBondContact O-N 3.31Å; S110-A112 PolarHBondContact O-N 3.09Å; S110-A112 WeakPolarHBondContact OG-CB 3.33Å; S110-A112 PolarHBondContact OG-N 3.48Å; S110-W113 WeakPolarHBondContact O-CB 3.3Å; S110-W113 PolarHBondContact O-N 2.73Å; S110-W113 VanDerWaalsContact O-N 3.07Å; S110-W113 PolarHBondContact OG-N 3.03Å; S110-Q114 WeakPolarHBondContact O-CG 3.34Å; S110-Q114 PolarHBondContact O-N 3.2Å
111	L	98.2	Very high	97.4	Very high	103 Å²	103	43.9 Å²	43.9	54%	0.539	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-30.4	172.5	-59.8	180	0	0	0	112.7	K115	L111-K115 WeakPolarHBondContact O-CB 3.1Å; L111-K115 PolarHBondContact O-N 2.91Å
112	A	98.1	Very high	97.5	Very high	57 Å²	57	42.6 Å²	42.6	47%	0.471	23%	0.227	S	C	.	.	H	α-helix	trans	-68.3	-41.9	175.3	0	0	0	0	0	111.6	S110 K115 S116	S110-A112 PolarHBondContact O-N 3.09Å; S110-A112 WeakPolarHBondContact OG-CB 3.33Å; S110-A112 PolarHBondContact OG-N 3.48Å; A112-K115 PolarHBondContact O-N 2.8Å; A112-S116 WeakPolarHBondContact O-CB 3.47Å; A112-S116 PolarHBondContact O-N 2.93Å; A112-S116 PolarHBondContact O-OG 3.33Å
113	W	98.3	Very high	97.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-48.7	172.1	163.1	-92.6	0	0	0	111.4	A86 L89 T90 V99 N107 S110 K115 S116 Q117 E118 T121 L141	A86-W113 HydrophobicContact CB-CE3 4.49Å; A86-W113 HydrophobicContact CB-CH2 3.67Å; A86-W113 HydrophobicContact CB-CZ3 3.56Å; L89-W113 HydrophobicContact CD1-CZ2 4.17Å; T90-W113 HydrophobicContact CG2-CH2 3.55Å; T90-W113 HydrophobicContact CG2-CZ3 3.88Å; V99-W113 HydrophobicContact CG2-CD2 4.4Å; V99-W113 HydrophobicContact CG2-CE3 3.43Å; V99-W113 VanDerWaalsContact CG2-CE3 3.43Å; V99-W113 HydrophobicContact CG2-CZ3 3.74Å; N107-W113 WeakPolarHBondContact O-CB 3.39Å; N107-W113 WeakPolarHBondContact OD1-CB 3.27Å; N107-W113 PolarHBondContact OD1-N 2.67Å; S110-W113 WeakPolarHBondContact O-CB 3.3Å; S110-W113 PolarHBondContact O-N 2.73Å; S110-W113 VanDerWaalsContact O-N 3.07Å; S110-W113 PolarHBondContact OG-N 3.03Å; W113-K115 VanDerWaalsContact C-N 3.28Å; W113-K115 PolarHBondContact O-N 2.59Å; W113-S116 PolarHBondContact O-N 2.87Å; W113-Q117 HydrophobicContact CD2-CB 3.8Å; W113-Q117 HydrophobicContact CD2-CG 4.3Å; W113-Q117 HydrophobicContact CE3-CB 3.31Å; W113-Q117 HydrophobicContact CE3-CG 3.45Å; W113-Q117 VanDerWaalsContact CE3-CG 3.45Å; W113-Q117 HydrophobicContact CH2-CB 3.85Å; W113-Q117 HydrophobicContact CZ2-CB 4.27Å; W113-Q117 HydrophobicContact CZ3-CB 3.33Å; W113-Q117 HydrophobicContact CZ3-CG 3.61Å; W113-Q117 PolarHBondContact O-N 3.48Å; W113-E118 HydrophobicContact CG-CG 4.45Å; W113-E118 HydrophobicContact CZ2-CG 4.42Å; W113-E118 PolarHBondContact NE1-OE1 2.9Å; W113-E118 VanDerWaalsContact NE1-OE1 3.14Å; W113-E118 PolarHBondContact O-N 3.03Å; W113-E118 VanDerWaalsContact O-N 3.15Å; W113-T121 HydrophobicContact CZ2-CG2 4.3Å; W113-L141 HydrophobicContact CD2-CD1 4.17Å; W113-L141 HydrophobicContact CZ2-CD1 3.77Å
114	Q	98.3	Very high	97.4	Very high	27 Å²	27	40 Å²	40	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-40.9	179.7	-66	174.4	22.2	0	0	112.2	S109 S110 P119 A149 H154	S109-Q114 PolarHBondContact O-NE2 3.26Å; S110-Q114 WeakPolarHBondContact O-CG 3.34Å; S110-Q114 PolarHBondContact O-N 3.2Å; Q114-P119 WeakPolarHBondContact O-CD 3.19Å; Q114-A149 VanDerWaalsContact NE2-C 3.35Å; Q114-A149 PolarHBondContact NE2-O 3.16Å; Q114-H154 WeakPolarHBondContact CG-NE2 3.38Å; Q114-H154 PolarHBondContact OE1-CE1 3.22Å
115	K	97.9	Very high	97.4	Very high	181 Å²	181	39.4 Å²	39.4	79%	0.787	21%	0.21	S	C	*	.	H	α-helix	trans	-74.9	-40.4	179.6	-173.3	177.8	178.5	-178	0	113.1	L111 A112 W113	L111-K115 WeakPolarHBondContact O-CB 3.1Å; L111-K115 PolarHBondContact O-N 2.91Å; A112-K115 PolarHBondContact O-N 2.8Å; W113-K115 VanDerWaalsContact C-N 3.28Å; W113-K115 PolarHBondContact O-N 2.59Å
116	S	96.3	Very high	97.3	Very high	56 Å²	56	31.4 Å²	31.4	39%	0.392	17%	0.173	S	C	.	.	H	α-helix	trans	-100.1	-38.9	-167.6	64.3	0	0	0	0	114.5	A112 W113	A112-S116 WeakPolarHBondContact O-CB 3.47Å; A112-S116 PolarHBondContact O-N 2.93Å; A112-S116 PolarHBondContact O-OG 3.33Å; W113-S116 PolarHBondContact O-N 2.87Å
117	Q	98	Very high	97	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.065	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-41.7	-171.2	-57.3	-54.3	-39.7	0	0	112.6	T90 H97 W113 P119 Q120 T121	T90-Q117 HydrophobicContact CG2-CB 4.1Å; H97-Q117 HydrophobicContact CB-CG 4.45Å; W113-Q117 HydrophobicContact CD2-CB 3.8Å; W113-Q117 HydrophobicContact CD2-CG 4.3Å; W113-Q117 HydrophobicContact CE3-CB 3.31Å; W113-Q117 HydrophobicContact CE3-CG 3.45Å; W113-Q117 VanDerWaalsContact CE3-CG 3.45Å; W113-Q117 HydrophobicContact CH2-CB 3.85Å; W113-Q117 HydrophobicContact CZ2-CB 4.27Å; W113-Q117 HydrophobicContact CZ3-CB 3.33Å; W113-Q117 HydrophobicContact CZ3-CG 3.61Å; W113-Q117 PolarHBondContact O-N 3.48Å; Q117-P119 VanDerWaalsContact C-CD 3.49Å; Q117-Q120 CarbonylContact O-C 3.38Å; Q117-Q120 WeakPolarHBondContact O-CA 3.37Å; Q117-Q120 WeakPolarHBondContact O-CB 3.29Å; Q117-Q120 PolarHBondContact O-N 2.92Å; Q117-T121 PolarHBondContact O-N 3.25Å
118	E	97.7	Very high	96.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.9	-43.7	-176.6	-66.4	-167.6	151.1	0	0	114.5	W113 Q120 T121 A124 Y140 H154 P156 P157	W113-E118 HydrophobicContact CG-CG 4.45Å; W113-E118 HydrophobicContact CZ2-CG 4.42Å; W113-E118 PolarHBondContact NE1-OE1 2.9Å; W113-E118 VanDerWaalsContact NE1-OE1 3.14Å; W113-E118 PolarHBondContact O-N 3.03Å; W113-E118 VanDerWaalsContact O-N 3.15Å; E118-Q120 PolarHBondContact O-N 2.83Å; E118-Q120 VanDerWaalsContact O-N 3.14Å; E118-T121 WeakPolarHBondContact O-CB 3.21Å; E118-T121 PolarHBondContact O-N 3.23Å; E118-T121 VanDerWaalsContact O-N 3.13Å; E118-T121 PolarHBondContact O-OG1 3.02Å; E118-A124 WeakPolarHBondContact O-CB 3.46Å; E118-Y140 WeakPolarHBondContact OE1-CE1 3.46Å; E118-Y140 PolarHBondContact OE1-OH 3.29Å; E118-H154 IonicContact OE1-NE2 3.71Å; E118-H154 IonicContact OE2-CD2 2.84Å; E118-H154 IonicContact OE2-CE1 2.67Å; E118-H154 IonicContact OE2-NE2 3.66Å; E118-H154 PolarHBondContact OE2-NE2 3.07Å; E118-P156 WeakPolarHBondContact OE1-CG 3.08Å; E118-P157 HydrophobicContact CB-CG 3.87Å
119	P	96.7	Very high	95.8	Very high	56 Å²	56	42.5 Å²	42.5	36%	0.364	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.2	-19.2	177.5	-22.4	35.2	0	0	0	114	Q114 Q117	Q114-P119 WeakPolarHBondContact O-CD 3.19Å; Q117-P119 VanDerWaalsContact C-CD 3.49Å
120	Q	95.6	Very high	94.1	Very high	91 Å²	91	44.8 Å²	44.8	43%	0.425	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-98.3	-3.5	-179.3	-56.9	-59.9	-46.4	0	0	112.7	Q117 E118	Q117-Q120 CarbonylContact O-C 3.38Å; Q117-Q120 WeakPolarHBondContact O-CA 3.37Å; Q117-Q120 WeakPolarHBondContact O-CB 3.29Å; Q117-Q120 PolarHBondContact O-N 2.92Å; E118-Q120 PolarHBondContact O-N 2.83Å; E118-Q120 VanDerWaalsContact O-N 3.14Å
121	T	98.1	Very high	93.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	26%	0.262	C	S	.	.	S	Bend	trans	-66.6	150.4	178.9	61.8	0	0	0	0	111.3	L89 T90 W113 Q117 E118 P123 A124 L125	L89-T121 HydrophobicContact CB-CG2 3.84Å; L89-T121 CarbonylContact O-C 3.58Å; L89-T121 WeakPolarHBondContact O-CA 3.31Å; L89-T121 WeakPolarHBondContact O-CB 3.45Å; T90-T121 HydrophobicContact CG2-CG2 4.13Å; W113-T121 HydrophobicContact CZ2-CG2 4.3Å; Q117-T121 PolarHBondContact O-N 3.25Å; E118-T121 WeakPolarHBondContact O-CB 3.21Å; E118-T121 PolarHBondContact O-N 3.23Å; E118-T121 VanDerWaalsContact O-N 3.13Å; E118-T121 PolarHBondContact O-OG1 3.02Å; T121-P123 VanDerWaalsContact C-N 3.29Å; T121-A124 WeakPolarHBondContact O-CB 3.5Å; T121-A124 PolarHBondContact O-N 3.05Å; T121-L125 WeakPolarHBondContact O-CG 3.35Å; T121-L125 PolarHBondContact O-N 3.3Å
122	F	97.6	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-33.7	-179.6	80.7	-98.6	0	0	0	113.5	L41 I88 L89 L125 L126 F216 I368 L369 M381	L41-F122 HydrophobicContact CD2-CZ 4.44Å; I88-F122 HydrophobicContact CG2-CE1 4.38Å; I88-F122 WeakPolarHBondContact O-CD1 3.47Å; I88-F122 WeakPolarHBondContact O-CE1 3.39Å; L89-F122 HydrophobicContact CD2-CE1 4.29Å; L89-F122 WeakPolarHBondContact O-CD1 3.26Å; L89-F122 PolarHBondContact O-N 3.18Å; F122-L125 PolarHBondContact O-N 3.29Å; F122-L126 HydrophobicContact CD2-CD1 3.95Å; F122-L126 HydrophobicContact CE2-CD1 4.31Å; F122-L126 WeakPolarHBondContact O-CB 3.37Å; F122-L126 VanDerWaalsContact O-CG 3.29Å; F122-L126 WeakPolarHBondContact O-CG 3.5Å; F122-L126 PolarHBondContact O-N 2.88Å; F122-F216 HydrophobicContact CD2-CE1 4.47Å; F122-F216 HydrophobicContact CE2-CD1 4.2Å; F122-F216 AromaticContact CE2-CE1 3.41Å; F122-F216 HydrophobicContact CE2-CE1 3.41Å; F122-F216 VanDerWaalsContact CE2-CE1 3.41Å; F122-F216 AromaticContact CE2-CE2 3.94Å; F122-F216 HydrophobicContact CE2-CE2 3.94Å; F122-F216 AromaticContact CE2-CZ 3.28Å; F122-F216 HydrophobicContact CE2-CZ 3.28Å; F122-F216 AromaticContact CZ-CE1 3.9Å; F122-F216 HydrophobicContact CZ-CE1 3.9Å; F122-F216 HydrophobicContact CZ-CE2 4.42Å; F122-F216 AromaticContact CZ-CZ 3.55Å; F122-F216 HydrophobicContact CZ-CZ 3.55Å; F122-I368 HydrophobicContact CD2-CB 4.3Å; F122-I368 HydrophobicContact CD2-CD1 4.31Å; F122-I368 HydrophobicContact CD2-CG2 3.77Å; F122-I368 HydrophobicContact CE2-CB 4.46Å; F122-I368 HydrophobicContact CE2-CD1 3.73Å; F122-I368 HydrophobicContact CE2-CG2 3.9Å; F122-I368 HydrophobicContact CZ-CD1 3.86Å; F122-L369 HydrophobicContact CB-CD1 4.15Å; F122-L369 HydrophobicContact CB-CD2 4.47Å; F122-L369 HydrophobicContact CB-CG 4.09Å; F122-M381 HydrophobicContact CB-CE 3.79Å
123	P	97.2	Very high	93	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-39	173.8	-21.7	36.2	0	0	0	113	L89 T121 L126 K127 W159 F216	L89-P123 HydrophobicContact CD2-CG 4.31Å; T121-P123 VanDerWaalsContact C-N 3.29Å; P123-L126 PolarHBondContact O-N 2.65Å; P123-K127 WeakPolarHBondContact O-CB 3.3Å; P123-K127 PolarHBondContact O-N 3.13Å; P123-W159 HydrophobicContact CB-CD2 4.21Å; P123-W159 HydrophobicContact CB-CE3 4.33Å; P123-W159 HydrophobicContact CB-CH2 3.75Å; P123-W159 HydrophobicContact CB-CZ2 3.56Å; P123-W159 HydrophobicContact CB-CZ3 4.11Å; P123-W159 HydrophobicContact CG-CH2 3.56Å; P123-W159 HydrophobicContact CG-CZ2 3.36Å; P123-W159 HydrophobicContact CG-CZ3 4.36Å; P123-F216 HydrophobicContact CG-CE1 4.23Å
124	A	96.6	Very high	92.9	Very high	10 Å²	10	38.3 Å²	38.3	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-41	174.2	0	0	0	0	0	111.8	E118 T121 K127 S128 P157	E118-A124 WeakPolarHBondContact O-CB 3.46Å; T121-A124 WeakPolarHBondContact O-CB 3.5Å; T121-A124 PolarHBondContact O-N 3.05Å; A124-K127 PolarHBondContact O-N 3.49Å; A124-S128 WeakPolarHBondContact O-CB 3.41Å; A124-S128 PolarHBondContact O-N 2.95Å; A124-S128 PolarHBondContact O-OG 3.08Å; A124-P157 HydrophobicContact CB-CB 4.46Å
125	L	95.8	Very high	92.9	Very high	19 Å²	19	37.3 Å²	37.3	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-43.2	174.8	-64	176.6	0	0	0	112.2	T121 F122 K127 S128 F129 L369 T379 M381	T121-L125 WeakPolarHBondContact O-CG 3.35Å; T121-L125 PolarHBondContact O-N 3.3Å; F122-L125 PolarHBondContact O-N 3.29Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3.3Å; L125-S128 WeakPolarHBondContact CA-OG 3.4Å; L125-S128 PolarHBondContact O-N 2.65Å; L125-S128 PolarHBondContact O-OG 3.09Å; L125-S128 VanDerWaalsContact O-OG 3.04Å; L125-F129 VanDerWaalsContact O-CB 3.25Å; L125-F129 WeakPolarHBondContact O-CB 3.29Å; L125-F129 PolarHBondContact O-N 3.41Å; L125-L369 HydrophobicContact CB-CD1 4.41Å; L125-L369 HydrophobicContact CB-CD2 3.91Å; L125-L369 HydrophobicContact CD1-CD1 3.84Å; L125-T379 HydrophobicContact CD1-CG2 3.91Å; L125-M381 HydrophobicContact CD1-CE 4.03Å
126	L	93.5	Very high	93	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-43	175.7	-80.2	175.7	0	0	0	112.1	F122 P123 F216 I368 L369 A372	F122-L126 HydrophobicContact CD2-CD1 3.95Å; F122-L126 HydrophobicContact CE2-CD1 4.31Å; F122-L126 WeakPolarHBondContact O-CB 3.37Å; F122-L126 VanDerWaalsContact O-CG 3.29Å; F122-L126 WeakPolarHBondContact O-CG 3.5Å; F122-L126 PolarHBondContact O-N 2.88Å; P123-L126 PolarHBondContact O-N 2.65Å; L126-F216 HydrophobicContact CD1-CB 3.9Å; L126-F216 HydrophobicContact CD1-CD1 3.87Å; L126-F216 HydrophobicContact CD1-CD2 4.41Å; L126-F216 HydrophobicContact CD1-CG 3.77Å; L126-I368 HydrophobicContact CD1-CG2 3.73Å; L126-I368 HydrophobicContact CG-CG2 4.49Å; L126-L369 HydrophobicContact CD2-CD2 3.9Å; L126-L369 HydrophobicContact CG-CD2 3.88Å; L126-A372 HydrophobicContact CD2-CB 3.38Å
127	K	91.3	Very high	93.1	Very high	90 Å²	90	26 Å²	26	39%	0.391	16%	0.156	S	C	.	.	H	α-helix	trans	-67.6	-44.8	179.8	-172.7	65.5	179.1	179.3	0	111.4	P123 A124 L125 G130 S160	P123-K127 WeakPolarHBondContact O-CB 3.3Å; P123-K127 PolarHBondContact O-N 3.13Å; A124-K127 PolarHBondContact O-N 3.49Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3.3Å; K127-G130 PolarHBondContact O-N 3.15Å; K127-S160 PolarHBondContact NZ-OG 3.32Å
128	S	88.8	Confident	93.1	Very high	90 Å²	90	25.3 Å²	25.3	63%	0.629	15%	0.153	S	C	*	.	H	α-helix	trans	-70.5	-31.7	-179.1	60.6	0	0	0	0	113.5	A124 L125 G130	A124-S128 WeakPolarHBondContact O-CB 3.41Å; A124-S128 PolarHBondContact O-N 2.95Å; A124-S128 PolarHBondContact O-OG 3.08Å; L125-S128 WeakPolarHBondContact CA-OG 3.4Å; L125-S128 PolarHBondContact O-N 2.65Å; L125-S128 PolarHBondContact O-OG 3.09Å; L125-S128 VanDerWaalsContact O-OG 3.04Å; S128-G130 PolarHBondContact O-N 3.06Å; S128-G130 VanDerWaalsContact O-N 3.09Å
129	F	82.4	Confident	93.2	Very high	77 Å²	77	25.3 Å²	25.3	34%	0.338	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-3.2	177.1	-174.9	-117.5	0	0	0	114.5	L125 G373 Y374	L125-F129 VanDerWaalsContact O-CB 3.25Å; L125-F129 WeakPolarHBondContact O-CB 3.29Å; L125-F129 PolarHBondContact O-N 3.41Å; F129-G373 WeakPolarHBondContact CZ-O 3.48Å; F129-Y374 HydrophobicContact CB-CD2 3.65Å; F129-Y374 HydrophobicContact CB-CE2 3.99Å; F129-Y374 AromaticContact CD1-CD2 3.96Å; F129-Y374 HydrophobicContact CD1-CD2 3.96Å; F129-Y374 AromaticContact CD2-CD2 3.4Å; F129-Y374 HydrophobicContact CD2-CD2 3.4Å; F129-Y374 VanDerWaalsContact CD2-CD2 3.4Å; F129-Y374 AromaticContact CD2-CE2 3.76Å; F129-Y374 HydrophobicContact CD2-CE2 3.76Å; F129-Y374 HydrophobicContact CD2-CG 4.44Å; F129-Y374 HydrophobicContact CE1-CD2 4.45Å; F129-Y374 AromaticContact CE2-CD2 3.96Å; F129-Y374 HydrophobicContact CE2-CD2 3.96Å; F129-Y374 HydrophobicContact CE2-CE2 4.49Å; F129-Y374 AromaticContact CG-CD2 3.4Å; F129-Y374 HydrophobicContact CG-CD2 3.4Å; F129-Y374 VanDerWaalsContact CG-CD2 3.4Å; F129-Y374 HydrophobicContact CG-CE2 4.03Å; F129-Y374 HydrophobicContact CG-CG 4.44Å; F129-Y374 HydrophobicContact CZ-CD2 4.45Å
130	G	62.6	Low	93.3	Very high	49 Å²	49	22.9 Å²	22.9	51%	0.505	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	80	160.7	0	0	0	0	0	114	R36 K127 S128	R36-G130 PolarHBondContact NH1-O 3.23Å; K127-G130 PolarHBondContact O-N 3.15Å; S128-G130 PolarHBondContact O-N 3.06Å; S128-G130 VanDerWaalsContact O-N 3.09Å
131	G	79.4	Confident	93.4	Very high	25 Å²	25	18.5 Å²	18.5	26%	0.258	12%	0.116	S	C	.	.			trans	150.8	-12.2	156.4	0	0	0	0	0	116.5	Q213 P214	G131-Q213 WeakPolarHBondContact O-CB 3.31Å; G131-P214 WeakPolarHBondContact O-CD 3.33Å
132	Y	94.3	Very high	93.4	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.012	12%	0.116	C	C	.	.			trans	-78.5	131.5	179.3	-85.2	-109.5	0	0	0	111.8	R36 P37 I39 P214 F215 F216 A372	R36-Y132 HydrophobicContact CB-CE2 4.47Å; P37-Y132 PolarHBondContact O-OH 3.45Å; I39-Y132 HydrophobicContact CD1-CE1 4.17Å; I39-Y132 HydrophobicContact CG1-CE1 4.39Å; Y132-P214 WeakPolarHBondContact CA-O 3.39Å; Y132-P214 HydrophobicContact CD1-CB 4.2Å; Y132-P214 HydrophobicContact CD1-CG 4.36Å; Y132-P214 HydrophobicContact CD2-CB 4.29Å; Y132-P214 HydrophobicContact CD2-CG 3.66Å; Y132-P214 HydrophobicContact CE1-CB 3.89Å; Y132-P214 HydrophobicContact CE1-CG 4.32Å; Y132-P214 HydrophobicContact CE2-CB 3.99Å; Y132-P214 HydrophobicContact CE2-CG 3.61Å; Y132-P214 HydrophobicContact CG-CB 4.4Å; Y132-P214 HydrophobicContact CG-CG 4.05Å; Y132-F215 VanDerWaalsContact CD1-C 3.41Å; Y132-F216 HydrophobicContact CD1-CB 3.88Å; Y132-F216 HydrophobicContact CE1-CB 4.46Å; Y132-A372 HydrophobicContact CE2-CB 3.67Å; Y132-A372 WeakPolarHBondContact OH-CA 3.26Å; Y132-A372 WeakPolarHBondContact OH-CB 3.24Å
133	Q	95.8	Very high	93.4	Very high	12 Å²	12	20.8 Å²	20.8	6%	0.056	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.2	158.5	-65.1	173.1	97	0	0	107.9	F205 S210 Q213 P214 F215 F216	Q133-F205 HydrophobicContact CB-CE2 4.32Å; Q133-F205 HydrophobicContact CB-CZ 4.16Å; Q133-S210 PolarHBondContact NE2-O 3.04Å; Q133-Q213 HydrophobicContact CG-CB 4.07Å; Q133-Q213 VanDerWaalsContact CG-OE1 3.25Å; Q133-Q213 PolarHBondContact NE2-O 2.91Å; Q133-P214 PolarHBondContact N-O 2.82Å; Q133-F215 HydrophobicContact CB-CB 4.17Å; Q133-F215 CarbonylContact O-C 3.54Å; Q133-F215 WeakPolarHBondContact O-CA 3.47Å; Q133-F215 WeakPolarHBondContact O-CB 3.47Å; Q133-F216 PolarHBondContact O-N 2.96Å
134	T	97.7	Very high	93.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.3	-174.4	47.4	0	0	0	0	110.5	G158 W159 S160 Y161 F216	T134-G158 WeakPolarHBondContact CB-O 3.42Å; T134-G158 WeakPolarHBondContact CG2-O 3.25Å; T134-G158 PolarHBondContact OG1-O 2.79Å; T134-W159 VanDerWaalsContact OG1-CA 3.32Å; T134-W159 WeakPolarHBondContact OG1-CA 3.47Å; T134-S160 PolarHBondContact N-OG 2.95Å; T134-S160 VanDerWaalsContact N-OG 3.07Å; T134-S160 WeakPolarHBondContact O-CA 3.4Å; T134-S160 WeakPolarHBondContact O-CB 3.4Å; T134-S160 PolarHBondContact O-N 3.19Å; T134-S160 PolarHBondContact OG1-N 3.39Å; T134-S160 PolarHBondContact OG1-OG 3Å; T134-Y161 PolarHBondContact O-N 3Å; T134-F216 CarbonylContact C-O 3.46Å; T134-F216 VanDerWaalsContact CA-O 3.3Å; T134-F216 WeakPolarHBondContact CA-O 3.49Å; T134-F216 HydrophobicContact CG2-CB 4.3Å; T134-F216 HydrophobicContact CG2-CD1 4.36Å
135	F	98.8	Very high	93.5	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.026	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135	-179.8	171.4	-83.4	0	0	0	110	A137 W159 Y161 R201 S202 F205 F216 M217 M218 V219	F135-A137 HydrophobicContact CD1-CB 4.49Å; F135-A137 HydrophobicContact CE1-CB 3.42Å; F135-A137 VanDerWaalsContact CE1-CB 3.42Å; F135-A137 HydrophobicContact CZ-CB 3.49Å; F135-A137 VanDerWaalsContact CZ-CB 3.49Å; F135-W159 WeakPolarHBondContact O-CZ3 3.49Å; F135-Y161 WeakPolarHBondContact CA-O 3.43Å; F135-Y161 HydrophobicContact CD2-CG 4.48Å; F135-R201 WeakPolarHBondContact CE2-O 3.21Å; F135-R201 HydrophobicContact CZ-CB 4.14Å; F135-S202 WeakPolarHBondContact CE1-OG 3.32Å; F135-F205 HydrophobicContact CB-CD1 3.8Å; F135-F205 HydrophobicContact CB-CD2 3.88Å; F135-F205 HydrophobicContact CB-CE1 3.75Å; F135-F205 HydrophobicContact CB-CE2 3.87Å; F135-F205 HydrophobicContact CB-CG 3.83Å; F135-F205 HydrophobicContact CB-CZ 3.78Å; F135-F205 HydrophobicContact CD2-CB 3.42Å; F135-F205 VanDerWaalsContact CD2-CB 3.42Å; F135-F205 HydrophobicContact CD2-CD1 4.12Å; F135-F205 AromaticContact CD2-CD2 3.78Å; F135-F205 HydrophobicContact CD2-CD2 3.78Å; F135-F205 AromaticContact CD2-CG 3.48Å; F135-F205 HydrophobicContact CD2-CG 3.48Å; F135-F205 VanDerWaalsContact CD2-CG 3.48Å; F135-F205 HydrophobicContact CE2-CB 3.62Å; F135-F205 HydrophobicContact CE2-CG 4.2Å; F135-F205 HydrophobicContact CG-CB 4.09Å; F135-F205 AromaticContact CG-CD1 3.93Å; F135-F205 HydrophobicContact CG-CD1 3.93Å; F135-F205 HydrophobicContact CG-CD2 4.16Å; F135-F205 HydrophobicContact CG-CE1 4.39Å; F135-F205 AromaticContact CG-CG 3.77Å; F135-F205 HydrophobicContact CG-CG 3.77Å; F135-F205 HydrophobicContact CZ-CB 4.4Å; F135-F216 PolarHBondContact N-O 2.82Å; F135-M217 HydrophobicContact CD1-CB 4.37Å; F135-M217 HydrophobicContact CD1-CE 4.27Å; F135-M217 HydrophobicContact CD1-CG 3.75Å; F135-M217 HydrophobicContact CE1-CE 4.48Å; F135-M217 HydrophobicContact CE1-CG 4.28Å; F135-M217 CarbonylContact O-C 3.58Å; F135-M217 WeakPolarHBondContact O-CA 3.46Å; F135-M218 PolarHBondContact O-N 2.89Å; F135-V219 HydrophobicContact CE1-CG2 4.4Å
136	F	98.9	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.9	170.2	-177	-93.3	0	0	0	110.5	G138 K139 Y140 W159 Y161 W162 V163 A164 M218	F136-G138 WeakPolarHBondContact CE1-O 3.18Å; F136-K139 WeakPolarHBondContact CZ-O 3.43Å; F136-Y140 HydrophobicContact CE2-CD2 4.38Å; F136-Y140 HydrophobicContact CZ-CD2 4.27Å; F136-W159 HydrophobicContact CB-CD2 3.8Å; F136-W159 HydrophobicContact CB-CE3 3.63Å; F136-W159 HydrophobicContact CB-CG 4.41Å; F136-W159 HydrophobicContact CB-CH2 4.01Å; F136-W159 HydrophobicContact CB-CZ2 4.19Å; F136-W159 HydrophobicContact CB-CZ3 3.76Å; F136-W159 AromaticContact CD2-CH2 3.78Å; F136-W159 HydrophobicContact CD2-CH2 3.78Å; F136-W159 AromaticContact CD2-CZ2 3.83Å; F136-W159 HydrophobicContact CD2-CZ2 3.83Å; F136-W159 HydrophobicContact CD2-CZ3 4.35Å; F136-W159 HydrophobicContact CG-CH2 4.35Å; F136-W159 HydrophobicContact CG-CZ2 4.32Å; F136-Y161 PolarHBondContact N-O 3.19Å; F136-W162 HydrophobicContact CB-CE3 3.48Å; F136-W162 VanDerWaalsContact CB-CE3 3.48Å; F136-W162 HydrophobicContact CB-CZ3 3.53Å; F136-W162 HydrophobicContact CD1-CD2 4.27Å; F136-W162 AromaticContact CD1-CE3 3.65Å; F136-W162 HydrophobicContact CD1-CE3 3.65Å; F136-W162 AromaticContact CD1-CH2 3.66Å; F136-W162 HydrophobicContact CD1-CH2 3.66Å; F136-W162 HydrophobicContact CD1-CZ2 4.3Å; F136-W162 AromaticContact CD1-CZ3 3.28Å; F136-W162 HydrophobicContact CD1-CZ3 3.28Å; F136-W162 HydrophobicContact CD2-CZ3 4.01Å; F136-W162 AromaticContact CE1-CH2 3.9Å; F136-W162 HydrophobicContact CE1-CH2 3.9Å; F136-W162 HydrophobicContact CE1-CZ2 4.47Å; F136-W162 AromaticContact CE1-CZ3 3.98Å; F136-W162 HydrophobicContact CE1-CZ3 3.98Å; F136-W162 AromaticContact CG-CE3 3.74Å; F136-W162 HydrophobicContact CG-CE3 3.74Å; F136-W162 HydrophobicContact CG-CH2 4.07Å; F136-W162 AromaticContact CG-CZ3 3.31Å; F136-W162 HydrophobicContact CG-CZ3 3.31Å; F136-W162 HydrophobicContact CZ-CH2 4.49Å; F136-V163 PolarHBondContact O-N 2.82Å; F136-A164 HydrophobicContact CD1-CB 4.1Å; F136-A164 HydrophobicContact CE1-CB 3.87Å; F136-M218 CarbonylContact C-O 3.57Å; F136-M218 WeakPolarHBondContact CA-O 3.25Å; F136-M218 HydrophobicContact CD2-CB 3.98Å; F136-M218 HydrophobicContact CD2-CG 4.01Å; F136-M218 HydrophobicContact CD2-SD 4Å; F136-M218 HydrophobicContact CE2-CE 4.29Å; F136-M218 HydrophobicContact CE2-CG 4.07Å; F136-M218 HydrophobicContact CE2-SD 3.88Å
137	A	98.9	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.2	167.7	0	0	0	0	0	112.5	F135 V163 L198 M218 V219 S220	F135-A137 HydrophobicContact CD1-CB 4.49Å; F135-A137 HydrophobicContact CE1-CB 3.42Å; F135-A137 VanDerWaalsContact CE1-CB 3.42Å; F135-A137 HydrophobicContact CZ-CB 3.49Å; F135-A137 VanDerWaalsContact CZ-CB 3.49Å; A137-V163 CarbonylContact C-O 3.52Å; A137-V163 WeakPolarHBondContact CA-O 3.3Å; A137-V163 HydrophobicContact CB-CB 4.11Å; A137-L198 HydrophobicContact CB-CD2 3.92Å; A137-M218 PolarHBondContact N-O 3.2Å; A137-V219 CarbonylContact O-C 3.57Å; A137-V219 WeakPolarHBondContact O-CA 3.14Å; A137-S220 PolarHBondContact O-N 2.84Å
138	G	98.6	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.9	-146.8	170.3	0	0	0	0	0	114.6	F136 V163 A164 L165 S220	F136-G138 WeakPolarHBondContact CE1-O 3.18Å; G138-V163 PolarHBondContact N-O 2.98Å; G138-A164 CarbonylContact O-C 3.53Å; G138-A164 WeakPolarHBondContact O-CA 3.1Å; G138-L165 PolarHBondContact O-N 3.44Å; G138-S220 CarbonylContact C-O 3.53Å; G138-S220 VanDerWaalsContact CA-O 3.24Å; G138-S220 WeakPolarHBondContact CA-O 3.42Å
139	K	98.6	Very high	94.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.138	C	C	.	.			trans	-78.4	121	-177.9	179.3	178.3	168.8	-177.2	0	110.8	D45 R85 F136 N142 N168 S169 S220	D45-K139 IonicContact OD1-NZ 3.45Å; D45-K139 WeakPolarHBondContact OD2-CD 3.49Å; D45-K139 VanDerWaalsContact OD2-CE 3.26Å; D45-K139 WeakPolarHBondContact OD2-CE 3.44Å; D45-K139 IonicContact OD2-NZ 2.78Å; D45-K139 PolarHBondContact OD2-NZ 3.5Å; R85-K139 PolarHBondContact NH1-O 3.42Å; F136-K139 WeakPolarHBondContact CZ-O 3.43Å; K139-N142 WeakPolarHBondContact CE-OD1 3.33Å; K139-N168 PolarHBondContact NZ-OD1 2.87Å; K139-S169 WeakPolarHBondContact CD-OG 3.5Å; K139-S169 PolarHBondContact NZ-OG 3.44Å; K139-S220 PolarHBondContact N-O 3.13Å; K139-S220 VanDerWaalsContact O-CB 3.25Å; K139-S220 WeakPolarHBondContact O-CB 3.26Å; K139-S220 PolarHBondContact O-OG 2.56Å
140	Y	98.3	Very high	95.1	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.02	14%	0.139	C	C	.	.			trans	-86.5	-83.3	176.6	178	-128.1	0	0	0	111.3	R85 L89 E118 F136 Y144 P156 W162	R85-Y140 WeakPolarHBondContact CD-O 3.14Å; L89-Y140 HydrophobicContact CD1-CD2 4.04Å; L89-Y140 HydrophobicContact CD1-CE2 3.33Å; L89-Y140 HydrophobicContact CD2-CE2 4.19Å; L89-Y140 HydrophobicContact CG-CE2 4.41Å; E118-Y140 WeakPolarHBondContact OE1-CE1 3.46Å; E118-Y140 PolarHBondContact OE1-OH 3.29Å; F136-Y140 HydrophobicContact CE2-CD2 4.38Å; F136-Y140 HydrophobicContact CZ-CD2 4.27Å; Y140-Y144 AromaticContact CD1-CD2 3.9Å; Y140-Y144 HydrophobicContact CD1-CD2 3.9Å; Y140-Y144 HydrophobicContact CD1-CG 4.14Å; Y140-P156 HydrophobicContact CD1-CG 4.3Å; Y140-P156 HydrophobicContact CE1-CB 4.49Å; Y140-P156 HydrophobicContact CE1-CG 3.68Å; Y140-W162 HydrophobicContact CD1-CH2 4Å; Y140-W162 HydrophobicContact CD1-CZ2 4.23Å; Y140-W162 AromaticContact CD2-CH2 3.72Å; Y140-W162 HydrophobicContact CD2-CH2 3.72Å; Y140-W162 HydrophobicContact CE1-CH2 4.43Å; Y140-W162 HydrophobicContact CE2-CH2 4.17Å; Y140-W162 AromaticContact CG-CH2 3.62Å; Y140-W162 HydrophobicContact CG-CH2 3.62Å; Y140-W162 HydrophobicContact CG-CZ2 4.15Å
141	L	98	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.119	C	C	.	.			trans	-135.9	149.2	176.2	-75.1	-178.5	0	0	0	107	C82 R85 S109 W113 Q143 Y144	C82-L141 HydrophobicContact CB-CD2 4.32Å; R85-L141 HydrophobicContact CB-CD2 3.54Å; S109-L141 WeakPolarHBondContact OG-CB 3.39Å; W113-L141 HydrophobicContact CD2-CD1 4.17Å; W113-L141 HydrophobicContact CZ2-CD1 3.77Å; L141-Q143 PolarHBondContact O-N 2.81Å; L141-Y144 VanDerWaalsContact O-CB 3.29Å; L141-Y144 WeakPolarHBondContact O-CB 3.49Å; L141-Y144 PolarHBondContact O-N 2.73Å
142	N	97.7	Very high	97.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.4	-163.6	-62	36.2	0	0	0	115.3	C81 C82 N102 C108 K139 K167	C81-N142 VanDerWaalsContact CB-OD1 3.31Å; C81-N142 WeakPolarHBondContact CB-OD1 3.39Å; C82-N142 WeakPolarHBondContact SG-CB 3.37Å; C82-N142 PolarHBondContact SG-N 2.56Å; C82-N142 PolarHBondContact SG-OD1 2.96Å; N102-N142 HydrophobicContact CB-CB 4.29Å; N102-N142 VanDerWaalsContact CG-ND2 3.29Å; N102-N142 PolarHBondContact OD1-ND2 3.02Å; C108-N142 PolarHBondContact SG-N 2.78Å; C108-N142 VanDerWaalsContact SG-N 3.37Å; K139-N142 WeakPolarHBondContact CE-OD1 3.33Å; N142-K167 CarbonylContact O-C 3.46Å; N142-K167 WeakPolarHBondContact O-CA 3.47Å
143	Q	97.8	Very high	97.8	Very high	45 Å²	45	24.2 Å²	24.2	21%	0.21	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	8.8	-178.9	-57	-63.1	-24.5	0	0	113.5	N102 L104 C108 L141 G145 H146	N102-Q143 WeakPolarHBondContact O-CG 3.3Å; N102-Q143 PolarHBondContact O-NE2 3.46Å; L104-Q143 HydrophobicContact CD2-CB 3.59Å; L104-Q143 HydrophobicContact CD2-CG 4.02Å; L104-Q143 HydrophobicContact CG-CB 4.05Å; L104-Q143 HydrophobicContact CG-CG 3.96Å; C108-Q143 HydrophobicContact CB-CG 4.26Å; C108-Q143 WeakPolarHBondContact O-CB 3.18Å; L141-Q143 PolarHBondContact O-N 2.81Å; Q143-G145 PolarHBondContact O-N 2.78Å; Q143-H146 VanDerWaalsContact O-CB 3.23Å; Q143-H146 WeakPolarHBondContact O-CB 3.39Å; Q143-H146 PolarHBondContact O-N 3.17Å; Q143-H146 VanDerWaalsContact O-N 3.14Å
144	Y	98.4	Very high	97.9	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.012	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	137.6	174.6	176.6	-98.6	0	0	0	110.9	S109 Y140 L141 H146 L152 H154 W162 A164 L165 K167 S177	S109-Y144 PolarHBondContact OG-N 3.4Å; Y140-Y144 AromaticContact CD1-CD2 3.9Å; Y140-Y144 HydrophobicContact CD1-CD2 3.9Å; Y140-Y144 HydrophobicContact CD1-CG 4.14Å; L141-Y144 VanDerWaalsContact O-CB 3.29Å; L141-Y144 WeakPolarHBondContact O-CB 3.49Å; L141-Y144 PolarHBondContact O-N 2.73Å; Y144-H146 VanDerWaalsContact C-N 3.25Å; Y144-H146 PolarHBondContact O-N 2.9Å; Y144-L152 HydrophobicContact CE1-CD2 4.13Å; Y144-L152 PolarHBondContact OH-O 2.86Å; Y144-H154 VanDerWaalsContact CE2-O 3.25Å; Y144-H154 WeakPolarHBondContact CE2-O 3.45Å; Y144-H154 PolarHBondContact OH-O 2.68Å; Y144-W162 HydrophobicContact CD2-CZ2 4.22Å; Y144-W162 HydrophobicContact CE1-CZ2 4.32Å; Y144-W162 AromaticContact CE1-NE1 3.95Å; Y144-W162 AromaticContact CE2-CZ2 3.8Å; Y144-W162 HydrophobicContact CE2-CZ2 3.8Å; Y144-W162 AromaticContact CE2-NE1 3.95Å; Y144-W162 AromaticContact CZ-CE2 3.91Å; Y144-W162 AromaticContact CZ-CZ2 3.87Å; Y144-W162 AromaticContact CZ-NE1 3.32Å; Y144-W162 VanDerWaalsContact CZ-NE1 3.32Å; Y144-W162 PolarHBondContact OH-NE1 2.91Å; Y144-A164 HydrophobicContact CD1-CB 3.83Å; Y144-A164 HydrophobicContact CE1-CB 3.44Å; Y144-A164 VanDerWaalsContact CE1-CB 3.44Å; Y144-L165 WeakPolarHBondContact CD1-O 3.27Å; Y144-K167 WeakPolarHBondContact O-CA 3.46Å; Y144-K167 PolarHBondContact O-N 3.41Å; Y144-S177 WeakPolarHBondContact OH-CB 3.42Å; Y144-S177 PolarHBondContact OH-OG 2.83Å
145	G	97.8	Very high	98	Very high	5 Å²	5	28 Å²	28	5%	0.052	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-6.7	-177.8	0	0	0	0	0	114.8	Q143 G151	Q143-G145 PolarHBondContact O-N 2.78Å; G145-G151 WeakPolarHBondContact CA-O 3.36Å
146	H	97.6	Very high	97.9	Very high	42 Å²	42	27.8 Å²	27.8	19%	0.194	16%	0.16	C	C	.	.			trans	-63	142.2	170.6	-164.8	-79.2	0	0	0	110.4	Q143 Y144 D148 A149 G150 G151	Q143-H146 VanDerWaalsContact O-CB 3.23Å; Q143-H146 WeakPolarHBondContact O-CB 3.39Å; Q143-H146 PolarHBondContact O-N 3.17Å; Q143-H146 VanDerWaalsContact O-N 3.14Å; Y144-H146 VanDerWaalsContact C-N 3.25Å; Y144-H146 PolarHBondContact O-N 2.9Å; H146-D148 VanDerWaalsContact C-N 3.26Å; H146-D148 IonicContact CE1-OD2 3.76Å; H146-D148 PolarHBondContact CE1-OD2 2.8Å; H146-D148 PolarHBondContact ND1-N 3.15Å; H146-D148 VanDerWaalsContact ND1-N 3.16Å; H146-D148 IonicContact ND1-OD2 3.38Å; H146-D148 PolarHBondContact O-N 2.84Å; H146-A149 HydrophobicContact CB-CB 4.07Å; H146-A149 CarbonylContact O-C 3.58Å; H146-A149 VanDerWaalsContact O-C 3.31Å; H146-A149 WeakPolarHBondContact O-CA 3.4Å; H146-A149 PolarHBondContact O-N 3.07Å; H146-G150 PolarHBondContact O-N 2.77Å; H146-G151 WeakPolarHBondContact O-CA 3.28Å; H146-G151 PolarHBondContact O-N 2.91Å
147	S	96.9	Very high	97.8	Very high	90 Å²	90	30.3 Å²	30.3	63%	0.629	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-54.4	-44.8	-179.8	52.2	0	0	0	0	111.9	A149 G150	S147-A149 PolarHBondContact O-N 2.73Å; S147-G150 PolarHBondContact O-N 2.68Å; S147-G150 VanDerWaalsContact O-N 3.08Å
148	D	97.3	Very high	97.7	Very high	105 Å²	105	30.9 Å²	30.9	56%	0.561	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-74.2	-6.3	-179.7	-51.5	-10.3	0	0	0	113.1	L104 H146	L104-D148 HydrophobicContact CD1-CB 4.01Å; H146-D148 VanDerWaalsContact C-N 3.26Å; H146-D148 IonicContact CE1-OD2 3.76Å; H146-D148 PolarHBondContact CE1-OD2 2.8Å; H146-D148 PolarHBondContact ND1-N 3.15Å; H146-D148 VanDerWaalsContact ND1-N 3.16Å; H146-D148 IonicContact ND1-OD2 3.38Å; H146-D148 PolarHBondContact O-N 2.84Å
149	A	96.6	Very high	97.6	Very high	1 Å²	1	32 Å²	32	1%	0.008	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-109.4	27.4	170.8	0	0	0	0	0	111.5	L104 S109 Q114 H146 S147 G151	L104-A149 HydrophobicContact CD2-CB 3.86Å; S109-A149 WeakPolarHBondContact O-CB 3.32Å; Q114-A149 VanDerWaalsContact NE2-C 3.35Å; Q114-A149 PolarHBondContact NE2-O 3.16Å; H146-A149 HydrophobicContact CB-CB 4.07Å; H146-A149 CarbonylContact O-C 3.58Å; H146-A149 VanDerWaalsContact O-C 3.31Å; H146-A149 WeakPolarHBondContact O-CA 3.4Å; H146-A149 PolarHBondContact O-N 3.07Å; S147-A149 PolarHBondContact O-N 2.73Å; A149-G151 VanDerWaalsContact C-N 3.34Å; A149-G151 PolarHBondContact O-N 2.89Å
150	G	96.8	Very high	97.5	Very high	34 Å²	34	33.6 Å²	33.6	35%	0.351	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	6.5	175.4	0	0	0	0	0	115.3	H146 S147 H154	H146-G150 PolarHBondContact O-N 2.77Å; S147-G150 PolarHBondContact O-N 2.68Å; S147-G150 VanDerWaalsContact O-N 3.08Å; G150-H154 PolarHBondContact O-N 3.34Å
151	G	97.9	Very high	97.5	Very high	8 Å²	8	37.7 Å²	37.7	8%	0.082	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-166.9	175.3	0	0	0	0	0	113.8	G145 H146 A149	G145-G151 WeakPolarHBondContact CA-O 3.36Å; H146-G151 WeakPolarHBondContact O-CA 3.28Å; H146-G151 PolarHBondContact O-N 2.91Å; A149-G151 VanDerWaalsContact C-N 3.34Å; A149-G151 PolarHBondContact O-N 2.89Å
152	L	98.1	Very high	97.5	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.3	178.1	-69.4	171.3	0	0	0	112	Y144 H154 E166 T175 S177 G180 A182	Y144-L152 HydrophobicContact CE1-CD2 4.13Å; Y144-L152 PolarHBondContact OH-O 2.86Å; L152-H154 VanDerWaalsContact C-N 3.28Å; L152-E166 HydrophobicContact CD2-CB 3.79Å; L152-E166 HydrophobicContact CD2-CG 3.97Å; L152-T175 HydrophobicContact CD1-CG2 3.62Å; L152-S177 WeakPolarHBondContact O-CB 3.36Å; L152-S177 PolarHBondContact O-OG 3.03Å; L152-G180 CarbonylContact O-C 3.51Å; L152-G180 VanDerWaalsContact O-CA 3.31Å; L152-G180 WeakPolarHBondContact O-CA 3.43Å; L152-A182 HydrophobicContact CD1-CB 3.65Å
153	E	98.1	Very high	97.6	Very high	136 Å²	136	37.9 Å²	37.9	64%	0.636	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-27.6	177.6	-62	73.7	-163.3	0	0	111.8	V155 G180	E153-V155 PolarHBondContact O-N 3.07Å; E153-G180 WeakPolarHBondContact CA-O 3.29Å
154	H	98.1	Very high	97.6	Very high	41 Å²	41	35.7 Å²	35.7	19%	0.19	21%	0.205	C	C	.	.			trans	-68.1	115.9	172.8	-174.8	61.6	0	0	0	110.5	Q114 E118 Y144 G150 L152	Q114-H154 WeakPolarHBondContact CG-NE2 3.38Å; Q114-H154 PolarHBondContact OE1-CE1 3.22Å; E118-H154 IonicContact OE1-NE2 3.71Å; E118-H154 IonicContact OE2-CD2 2.84Å; E118-H154 IonicContact OE2-CE1 2.67Å; E118-H154 IonicContact OE2-NE2 3.66Å; E118-H154 PolarHBondContact OE2-NE2 3.07Å; Y144-H154 VanDerWaalsContact CE2-O 3.25Å; Y144-H154 WeakPolarHBondContact CE2-O 3.45Å; Y144-H154 PolarHBondContact OH-O 2.68Å; G150-H154 PolarHBondContact O-N 3.34Å; L152-H154 VanDerWaalsContact C-N 3.28Å
155	V	98.5	Very high	97.6	Very high	50 Å²	50	35.6 Å²	35.6	30%	0.303	20%	0.204	S	C	.	.			trans	-108.6	115.9	169.8	178	0	0	0	0	107.1	E153 W162 G180	E153-V155 PolarHBondContact O-N 3.07Å; V155-W162 HydrophobicContact CG1-CB 3.78Å; V155-W162 HydrophobicContact CG1-CD2 4.27Å; V155-W162 HydrophobicContact CG1-CG 3.78Å; V155-W162 HydrophobicContact CG2-CG 4.35Å; V155-G180 VanDerWaalsContact CG2-N 3.34Å
156	P	98.1	Very high	97.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.013	21%	0.212	C	C	.	.			trans	-54.8	143	178	-27.5	36.2	0	0	0	111.5	E118 Y140 W159 W162	E118-P156 WeakPolarHBondContact OE1-CG 3.08Å; Y140-P156 HydrophobicContact CD1-CG 4.3Å; Y140-P156 HydrophobicContact CE1-CB 4.49Å; Y140-P156 HydrophobicContact CE1-CG 3.68Å; P156-W159 VanDerWaalsContact O-CD1 3.31Å; P156-W162 VanDerWaalsContact CD-CZ2 3.42Å; P156-W162 HydrophobicContact CG-CH2 3.72Å; P156-W162 HydrophobicContact CG-CZ2 3.71Å; P156-W162 HydrophobicContact CG-CZ3 4.35Å
157	P	96.7	Very high	97.5	Very high	53 Å²	53	39.9 Å²	39.9	34%	0.344	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	148.3	176.7	26.3	-36.1	0	0	0	111	E118 A124	E118-P157 HydrophobicContact CB-CG 3.87Å; A124-P157 HydrophobicContact CB-CB 4.46Å
158	G	95.9	Very high	97.1	Very high	12 Å²	12	38.4 Å²	38.4	12%	0.124	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	-5.7	175	0	0	0	0	0	115.7	T134	T134-G158 WeakPolarHBondContact CB-O 3.42Å; T134-G158 WeakPolarHBondContact CG2-O 3.25Å; T134-G158 PolarHBondContact OG1-O 2.79Å
159	W	97.4	Very high	96.9	Very high	22 Å²	22	34 Å²	34	8%	0.083	18%	0.184	C	C	.	.			trans	-104.6	128.4	179.5	-56.3	108.6	0	0	0	112.1	P123 T134 F135 F136 P156 W162 F216 M218	P123-W159 HydrophobicContact CB-CD2 4.21Å; P123-W159 HydrophobicContact CB-CE3 4.33Å; P123-W159 HydrophobicContact CB-CH2 3.75Å; P123-W159 HydrophobicContact CB-CZ2 3.56Å; P123-W159 HydrophobicContact CB-CZ3 4.11Å; P123-W159 HydrophobicContact CG-CH2 3.56Å; P123-W159 HydrophobicContact CG-CZ2 3.36Å; P123-W159 HydrophobicContact CG-CZ3 4.36Å; T134-W159 VanDerWaalsContact OG1-CA 3.32Å; T134-W159 WeakPolarHBondContact OG1-CA 3.47Å; F135-W159 WeakPolarHBondContact O-CZ3 3.49Å; F136-W159 HydrophobicContact CB-CD2 3.8Å; F136-W159 HydrophobicContact CB-CE3 3.63Å; F136-W159 HydrophobicContact CB-CG 4.41Å; F136-W159 HydrophobicContact CB-CH2 4.01Å; F136-W159 HydrophobicContact CB-CZ2 4.19Å; F136-W159 HydrophobicContact CB-CZ3 3.76Å; F136-W159 AromaticContact CD2-CH2 3.78Å; F136-W159 HydrophobicContact CD2-CH2 3.78Å; F136-W159 AromaticContact CD2-CZ2 3.83Å; F136-W159 HydrophobicContact CD2-CZ2 3.83Å; F136-W159 HydrophobicContact CD2-CZ3 4.35Å; F136-W159 HydrophobicContact CG-CH2 4.35Å; F136-W159 HydrophobicContact CG-CZ2 4.32Å; P156-W159 VanDerWaalsContact O-CD1 3.31Å; W159-W162 HydrophobicContact CB-CB 4.45Å; W159-W162 HydrophobicContact CB-CE3 3.85Å; W159-W162 AromaticContact CD1-CE3 3.33Å; W159-W162 AromaticContact CD1-CZ3 3.29Å; W159-W162 HydrophobicContact CD2-CE3 4.01Å; W159-W162 AromaticContact CD2-CZ3 3.99Å; W159-W162 HydrophobicContact CD2-CZ3 3.99Å; W159-W162 AromaticContact CE2-CZ3 3.66Å; W159-W162 AromaticContact CG-CE3 3.45Å; W159-W162 HydrophobicContact CG-CE3 3.45Å; W159-W162 VanDerWaalsContact CG-CE3 3.45Å; W159-W162 AromaticContact CG-CZ3 3.74Å; W159-W162 HydrophobicContact CG-CZ3 3.74Å; W159-W162 HydrophobicContact CZ2-CZ3 4.34Å; W159-W162 AromaticContact NE1-CE3 3.81Å; W159-W162 AromaticContact NE1-CZ3 3.26Å; W159-W162 VanDerWaalsContact NE1-CZ3 3.26Å; W159-F216 HydrophobicContact CH2-CD1 4.33Å; W159-F216 AromaticContact CH2-CE1 3.59Å; W159-F216 HydrophobicContact CH2-CE1 3.59Å; W159-F216 AromaticContact CZ3-CD1 3.9Å; W159-F216 HydrophobicContact CZ3-CD1 3.9Å; W159-F216 AromaticContact CZ3-CE1 3.6Å; W159-F216 HydrophobicContact CZ3-CE1 3.6Å; W159-M218 HydrophobicContact CH2-CB 3.89Å; W159-M218 HydrophobicContact CH2-SD 4.12Å; W159-M218 HydrophobicContact CZ3-CB 4.23Å
160	S	95.8	Very high	96.9	Very high	35 Å²	35	37.9 Å²	37.9	25%	0.245	20%	0.201	C	C	.	.	S	Bend	trans	-86.4	-33.3	175.4	-44.7	0	0	0	0	110.8	K127 T134	K127-S160 PolarHBondContact NZ-OG 3.32Å; T134-S160 PolarHBondContact N-OG 2.95Å; T134-S160 VanDerWaalsContact N-OG 3.07Å; T134-S160 WeakPolarHBondContact O-CA 3.4Å; T134-S160 WeakPolarHBondContact O-CB 3.4Å; T134-S160 PolarHBondContact O-N 3.19Å; T134-S160 PolarHBondContact OG1-N 3.39Å; T134-S160 PolarHBondContact OG1-OG 3Å
161	Y	98	Very high	96.9	Very high	91 Å²	91	36.4 Å²	36.4	36%	0.357	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.7	174.9	-59.7	-89.7	0	0	0	108.2	T134 F135 F136 F205	T134-Y161 PolarHBondContact O-N 3Å; F135-Y161 WeakPolarHBondContact CA-O 3.43Å; F135-Y161 HydrophobicContact CD2-CG 4.48Å; F136-Y161 PolarHBondContact N-O 3.19Å; Y161-F205 AromaticContact CD2-CD2 3.51Å; Y161-F205 HydrophobicContact CD2-CD2 3.51Å; Y161-F205 AromaticContact CD2-CE2 3.42Å; Y161-F205 HydrophobicContact CD2-CE2 3.42Å; Y161-F205 VanDerWaalsContact CD2-CE2 3.42Å; Y161-F205 AromaticContact CE2-CD2 3.79Å; Y161-F205 HydrophobicContact CE2-CD2 3.79Å; Y161-F205 AromaticContact CE2-CE2 3.58Å; Y161-F205 HydrophobicContact CE2-CE2 3.58Å; Y161-F205 HydrophobicContact CG-CD2 4.01Å; Y161-F205 HydrophobicContact CG-CE2 4.34Å
162	W	98.8	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.8	-173.9	-177.1	-106.4	0	0	0	110.2	F136 Y140 Y144 V155 P156 W159 A164 V178 N179	F136-W162 HydrophobicContact CB-CE3 3.48Å; F136-W162 VanDerWaalsContact CB-CE3 3.48Å; F136-W162 HydrophobicContact CB-CZ3 3.53Å; F136-W162 HydrophobicContact CD1-CD2 4.27Å; F136-W162 AromaticContact CD1-CE3 3.65Å; F136-W162 HydrophobicContact CD1-CE3 3.65Å; F136-W162 AromaticContact CD1-CH2 3.66Å; F136-W162 HydrophobicContact CD1-CH2 3.66Å; F136-W162 HydrophobicContact CD1-CZ2 4.3Å; F136-W162 AromaticContact CD1-CZ3 3.28Å; F136-W162 HydrophobicContact CD1-CZ3 3.28Å; F136-W162 HydrophobicContact CD2-CZ3 4.01Å; F136-W162 AromaticContact CE1-CH2 3.9Å; F136-W162 HydrophobicContact CE1-CH2 3.9Å; F136-W162 HydrophobicContact CE1-CZ2 4.47Å; F136-W162 AromaticContact CE1-CZ3 3.98Å; F136-W162 HydrophobicContact CE1-CZ3 3.98Å; F136-W162 AromaticContact CG-CE3 3.74Å; F136-W162 HydrophobicContact CG-CE3 3.74Å; F136-W162 HydrophobicContact CG-CH2 4.07Å; F136-W162 AromaticContact CG-CZ3 3.31Å; F136-W162 HydrophobicContact CG-CZ3 3.31Å; F136-W162 HydrophobicContact CZ-CH2 4.49Å; Y140-W162 HydrophobicContact CD1-CH2 4Å; Y140-W162 HydrophobicContact CD1-CZ2 4.23Å; Y140-W162 AromaticContact CD2-CH2 3.72Å; Y140-W162 HydrophobicContact CD2-CH2 3.72Å; Y140-W162 HydrophobicContact CE1-CH2 4.43Å; Y140-W162 HydrophobicContact CE2-CH2 4.17Å; Y140-W162 AromaticContact CG-CH2 3.62Å; Y140-W162 HydrophobicContact CG-CH2 3.62Å; Y140-W162 HydrophobicContact CG-CZ2 4.15Å; Y144-W162 HydrophobicContact CD2-CZ2 4.22Å; Y144-W162 HydrophobicContact CE1-CZ2 4.32Å; Y144-W162 AromaticContact CE1-NE1 3.95Å; Y144-W162 AromaticContact CE2-CZ2 3.8Å; Y144-W162 HydrophobicContact CE2-CZ2 3.8Å; Y144-W162 AromaticContact CE2-NE1 3.95Å; Y144-W162 AromaticContact CZ-CE2 3.91Å; Y144-W162 AromaticContact CZ-CZ2 3.87Å; Y144-W162 AromaticContact CZ-NE1 3.32Å; Y144-W162 VanDerWaalsContact CZ-NE1 3.32Å; Y144-W162 PolarHBondContact OH-NE1 2.91Å; V155-W162 HydrophobicContact CG1-CB 3.78Å; V155-W162 HydrophobicContact CG1-CD2 4.27Å; V155-W162 HydrophobicContact CG1-CG 3.78Å; V155-W162 HydrophobicContact CG2-CG 4.35Å; P156-W162 VanDerWaalsContact CD-CZ2 3.42Å; P156-W162 HydrophobicContact CG-CH2 3.72Å; P156-W162 HydrophobicContact CG-CZ2 3.71Å; P156-W162 HydrophobicContact CG-CZ3 4.35Å; W159-W162 HydrophobicContact CB-CB 4.45Å; W159-W162 HydrophobicContact CB-CE3 3.85Å; W159-W162 AromaticContact CD1-CE3 3.33Å; W159-W162 AromaticContact CD1-CZ3 3.29Å; W159-W162 HydrophobicContact CD2-CE3 4.01Å; W159-W162 AromaticContact CD2-CZ3 3.99Å; W159-W162 HydrophobicContact CD2-CZ3 3.99Å; W159-W162 AromaticContact CE2-CZ3 3.66Å; W159-W162 AromaticContact CG-CE3 3.45Å; W159-W162 HydrophobicContact CG-CE3 3.45Å; W159-W162 VanDerWaalsContact CG-CE3 3.45Å; W159-W162 AromaticContact CG-CZ3 3.74Å; W159-W162 HydrophobicContact CG-CZ3 3.74Å; W159-W162 HydrophobicContact CZ2-CZ3 4.34Å; W159-W162 AromaticContact NE1-CE3 3.81Å; W159-W162 AromaticContact NE1-CZ3 3.26Å; W159-W162 VanDerWaalsContact NE1-CZ3 3.26Å; W162-A164 HydrophobicContact CD2-CB 4.12Å; W162-A164 HydrophobicContact CH2-CB 4.04Å; W162-A164 HydrophobicContact CZ2-CB 3.24Å; W162-V178 CarbonylContact O-C 3.52Å; W162-V178 WeakPolarHBondContact O-CA 3.2Å; W162-N179 PolarHBondContact N-OD1 2.93Å; W162-N179 PolarHBondContact O-N 2.99Å
163	V	98.8	Very high	97	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	75	177.8	-174.3	0	0	0	0	109	F136 A137 G138 L176 S177 R201	F136-V163 PolarHBondContact O-N 2.82Å; A137-V163 CarbonylContact C-O 3.52Å; A137-V163 WeakPolarHBondContact CA-O 3.3Å; A137-V163 HydrophobicContact CB-CB 4.11Å; G138-V163 PolarHBondContact N-O 2.98Å; V163-L176 HydrophobicContact CG1-CD1 3.86Å; V163-S177 CarbonylContact C-O 3.59Å; V163-S177 VanDerWaalsContact CA-O 3.26Å; V163-S177 WeakPolarHBondContact CA-O 3.49Å; V163-R201 HydrophobicContact CG1-CG 4.23Å
164	A	98.6	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.4	-172.5	0	0	0	0	0	113.5	F136 G138 Y144 W162 L176 S177	F136-A164 HydrophobicContact CD1-CB 4.1Å; F136-A164 HydrophobicContact CE1-CB 3.87Å; G138-A164 CarbonylContact O-C 3.53Å; G138-A164 WeakPolarHBondContact O-CA 3.1Å; Y144-A164 HydrophobicContact CD1-CB 3.83Å; Y144-A164 HydrophobicContact CE1-CB 3.44Å; Y144-A164 VanDerWaalsContact CE1-CB 3.44Å; W162-A164 HydrophobicContact CD2-CB 4.12Å; W162-A164 HydrophobicContact CH2-CB 4.04Å; W162-A164 HydrophobicContact CZ2-CB 3.24Å; A164-L176 CarbonylContact O-C 3.21Å; A164-L176 VanDerWaalsContact O-CA 3.27Å; A164-L176 WeakPolarHBondContact O-CA 3.23Å; A164-S177 PolarHBondContact N-O 3.09Å; A164-S177 PolarHBondContact O-N 3.43Å
165	L	98.6	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129	174.6	-179.3	64.6	0	0	0	110.9	G138 Y144 K167 N168 Y174 L176 L194	G138-L165 PolarHBondContact O-N 3.44Å; Y144-L165 WeakPolarHBondContact CD1-O 3.27Å; L165-K167 PolarHBondContact O-N 3.03Å; L165-N168 VanDerWaalsContact CD2-O 3.3Å; L165-N168 WeakPolarHBondContact CD2-O 3.22Å; L165-Y174 HydrophobicContact CD1-CD2 3.98Å; L165-Y174 HydrophobicContact CD1-CG 3.9Å; L165-L176 HydrophobicContact CB-CD2 4.21Å; L165-L176 HydrophobicContact CD1-CD2 4.07Å; L165-L194 HydrophobicContact CD1-CD2 3.98Å; L165-L194 HydrophobicContact CD2-CD2 3.87Å; L165-L194 HydrophobicContact CG-CD2 4.44Å
166	E	98.3	Very high	97	Very high	47 Å²	47	32.8 Å²	32.8	22%	0.22	17%	0.165	C	C	.	.	S	Bend	trans	-63.1	121.6	169.4	-174.3	-179.3	-154.7	0	0	110.5	L152 T175	L152-E166 HydrophobicContact CD2-CB 3.79Å; L152-E166 HydrophobicContact CD2-CG 3.97Å; E166-T175 WeakPolarHBondContact CB-O 3.46Å; E166-T175 PolarHBondContact N-O 2.94Å; E166-T175 WeakPolarHBondContact OE2-CB 3.34Å; E166-T175 PolarHBondContact OE2-OG1 3.39Å
167	K	94.7	Very high	97	Very high	90 Å²	90	32.7 Å²	32.7	39%	0.391	16%	0.164	S	C	.	.	S	Bend	trans	61.8	-126.9	177.1	-60.3	171.9	-179.1	-176.8	0	113.2	N142 Y144 L165	N142-K167 CarbonylContact O-C 3.46Å; N142-K167 WeakPolarHBondContact O-CA 3.47Å; Y144-K167 WeakPolarHBondContact O-CA 3.46Å; Y144-K167 PolarHBondContact O-N 3.41Å; L165-K167 PolarHBondContact O-N 3.03Å
168	N	89.2	Confident	97.1	Very high	60 Å²	60	31.6 Å²	31.6	32%	0.321	16%	0.157	S	C	.	.	S	Bend	trans	-98.3	174.1	-167.2	-152.5	-7.8	0	0	0	112.6	K139 L165 K170	K139-N168 PolarHBondContact NZ-OD1 2.87Å; L165-N168 VanDerWaalsContact CD2-O 3.3Å; L165-N168 WeakPolarHBondContact CD2-O 3.22Å; N168-K170 PolarHBondContact O-N 3.05Å
169	S	92.8	Very high	97.3	Very high	11 Å²	11	35.1 Å²	35.1	8%	0.077	17%	0.173	C	C	.	.			trans	-51.4	128.7	-176.7	-61.5	0	0	0	0	113.4	K139 H225	K139-S169 WeakPolarHBondContact CD-OG 3.5Å; K139-S169 PolarHBondContact NZ-OG 3.44Å; S169-H225 WeakPolarHBondContact CB-ND1 3.26Å
170	K	95.8	Very high	97.3	Very high	84 Å²	84	34.7 Å²	34.7	37%	0.365	18%	0.175	S	C	.	.			trans	-145	164	176.9	-71.6	-175	172.8	-172	0	109.7	N168 N173 L194 P222	N168-K170 PolarHBondContact O-N 3.05Å; K170-N173 PolarHBondContact NZ-O 2.83Å; K170-L194 VanDerWaalsContact O-CD2 3.26Å; K170-L194 WeakPolarHBondContact O-CD2 3.3Å; K170-P222 WeakPolarHBondContact O-CG 2.99Å
171	Y	97.9	Very high	97.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.008	20%	0.197	C	C	.	.	S	Bend	trans	-118.7	-25.4	172.5	-65.6	-90.9	0	0	0	113	Y193 L194 A223 H225 P227 T229 T285	Y171-Y193 AromaticContact CD1-CE2 3.81Å; Y171-Y193 HydrophobicContact CD1-CE2 3.81Å; Y171-Y193 AromaticContact CD1-CZ 3.9Å; Y171-Y193 HydrophobicContact CG-CE2 4.31Å; Y171-L194 PolarHBondContact O-N 2.91Å; Y171-A223 HydrophobicContact CE1-CB 4.12Å; Y171-A223 WeakPolarHBondContact OH-CA 3.26Å; Y171-H225 WeakPolarHBondContact CE2-O 3.26Å; Y171-H225 PolarHBondContact OH-O 3.08Å; Y171-P227 HydrophobicContact CD2-CG 4.04Å; Y171-P227 HydrophobicContact CE2-CG 4.42Å; Y171-T229 VanDerWaalsContact CD1-O 3.23Å; Y171-T229 WeakPolarHBondContact CD1-O 3.45Å; Y171-T285 HydrophobicContact CE1-CG2 3.74Å; Y171-T285 PolarHBondContact OH-OG1 3.43Å
172	Y	98.3	Very high	97.4	Very high	39 Å²	39	39.4 Å²	39.4	15%	0.153	21%	0.205	C	C	.	.	S	Bend	trans	-145.8	172.2	178.4	-65.9	-72	0	0	0	109.6	Y174 A187 Y189 D192 Y193 T229	Y172-Y174 PolarHBondContact O-N 3.41Å; Y172-A187 HydrophobicContact CD1-CB 4.41Å; Y172-A187 HydrophobicContact CG-CB 4.44Å; Y172-Y189 WeakPolarHBondContact OH-CD2 3.26Å; Y172-D192 HydrophobicContact CD1-CB 4.2Å; Y172-D192 WeakPolarHBondContact CD1-O 3.46Å; Y172-Y193 HydrophobicContact CD2-CD2 4.46Å; Y172-Y193 AromaticContact CE1-CD2 3.88Å; Y172-Y193 HydrophobicContact CE1-CD2 3.88Å; Y172-Y193 HydrophobicContact CE1-CG 4.41Å; Y172-Y193 AromaticContact CE2-CD2 3.7Å; Y172-Y193 HydrophobicContact CE2-CD2 3.7Å; Y172-Y193 HydrophobicContact CE2-CE2 4.12Å; Y172-Y193 AromaticContact CZ-CD2 3.39Å; Y172-Y193 WeakPolarHBondContact OH-CD2 3.45Å; Y172-T229 HydrophobicContact CD2-CG2 4.05Å; Y172-T229 HydrophobicContact CE2-CG2 3.85Å
173	N	98.1	Very high	97.4	Very high	107 Å²	107	42.6 Å²	42.6	57%	0.572	22%	0.22	S	C	*	.	S	Bend	trans	51.9	54.4	175	-60	-46.4	0	0	0	112.4	K170 H185 G186	K170-N173 PolarHBondContact NZ-O 2.83Å; N173-H185 WeakPolarHBondContact CA-O 3.15Å; N173-G186 PolarHBondContact N-O 2.98Å
174	Y	98.3	Very high	97.4	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	165.1	-176	61.1	-98.9	0	0	0	111.7	L165 Y172 L176 H185 D192 L194 V197	L165-Y174 HydrophobicContact CD1-CD2 3.98Å; L165-Y174 HydrophobicContact CD1-CG 3.9Å; Y172-Y174 PolarHBondContact O-N 3.41Å; Y174-L176 HydrophobicContact CD2-CD2 3.79Å; Y174-L176 HydrophobicContact CD2-CG 3.83Å; Y174-L176 HydrophobicContact CE2-CD1 3.88Å; Y174-L176 HydrophobicContact CE2-CD2 3.82Å; Y174-L176 HydrophobicContact CE2-CG 3.63Å; Y174-H185 HydrophobicContact CD1-CB 4.43Å; Y174-H185 HydrophobicContact CD2-CB 3.93Å; Y174-H185 HydrophobicContact CE1-CB 4.02Å; Y174-H185 HydrophobicContact CE2-CB 3.45Å; Y174-H185 VanDerWaalsContact CE2-CB 3.45Å; Y174-H185 AromaticContact CE2-CD2 3.39Å; Y174-H185 WeakPolarHBondContact CE2-CD2 3.14Å; Y174-H185 AromaticContact CE2-CG 3.43Å; Y174-H185 VanDerWaalsContact CE2-CG 3.43Å; Y174-H185 HydrophobicContact CG-CB 4.37Å; Y174-H185 VanDerWaalsContact CZ-CB 3.5Å; Y174-H185 AromaticContact CZ-CG 3.65Å; Y174-H185 PolarHBondContact N-O 2.7Å; Y174-H185 PolarHBondContact O-N 3.04Å; Y174-D192 WeakPolarHBondContact CE1-O 3.4Å; Y174-D192 PolarHBondContact OH-O 3.33Å; Y174-D192 VanDerWaalsContact OH-O 3.11Å; Y174-L194 HydrophobicContact CD1-CB 4.21Å; Y174-L194 HydrophobicContact CD2-CD1 4.25Å; Y174-L194 HydrophobicContact CE1-CB 3.54Å; Y174-L194 HydrophobicContact CE1-CD1 4.06Å; Y174-L194 HydrophobicContact CE1-CG 4.23Å; Y174-L194 HydrophobicContact CE2-CD1 3.65Å; Y174-L194 WeakPolarHBondContact OH-CA 3.47Å; Y174-V197 WeakPolarHBondContact OH-CG2 3.4Å
175	T	98.7	Very high	97.4	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.129	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.3	170.1	-41.4	0	0	0	0	108.3	L152 E166 A182 Q183 K184	L152-T175 HydrophobicContact CD1-CG2 3.62Å; E166-T175 WeakPolarHBondContact CB-O 3.46Å; E166-T175 PolarHBondContact N-O 2.94Å; E166-T175 WeakPolarHBondContact OE2-CB 3.34Å; E166-T175 PolarHBondContact OE2-OG1 3.39Å; T175-A182 HydrophobicContact CG2-CB 3.89Å; T175-Q183 WeakPolarHBondContact CA-O 3.37Å; T175-K184 HydrophobicContact CG2-CG 4.27Å
176	L	98.8	Very high	97.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.6	167.8	-58.7	178.2	0	0	0	109.3	V163 A164 L165 Y174 V178 A182 Q183 L194 V197	V163-L176 HydrophobicContact CG1-CD1 3.86Å; A164-L176 CarbonylContact O-C 3.21Å; A164-L176 VanDerWaalsContact O-CA 3.27Å; A164-L176 WeakPolarHBondContact O-CA 3.23Å; L165-L176 HydrophobicContact CB-CD2 4.21Å; L165-L176 HydrophobicContact CD1-CD2 4.07Å; Y174-L176 HydrophobicContact CD2-CD2 3.79Å; Y174-L176 HydrophobicContact CD2-CG 3.83Å; Y174-L176 HydrophobicContact CE2-CD1 3.88Å; Y174-L176 HydrophobicContact CE2-CD2 3.82Å; Y174-L176 HydrophobicContact CE2-CG 3.63Å; L176-V178 HydrophobicContact CB-CG2 4.2Å; L176-A182 CarbonylContact O-C 3.55Å; L176-A182 WeakPolarHBondContact O-CA 3.5Å; L176-Q183 PolarHBondContact N-O 3.43Å; L176-Q183 PolarHBondContact O-N 3.06Å; L176-L194 HydrophobicContact CD2-CD1 3.98Å; L176-V197 HydrophobicContact CD1-CG1 3.98Å
177	S	98.7	Very high	97.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.1	156.5	178.1	0	0	0	0	108.4	Y144 L152 V163 A164 G180	Y144-S177 WeakPolarHBondContact OH-CB 3.42Å; Y144-S177 PolarHBondContact OH-OG 2.83Å; L152-S177 WeakPolarHBondContact O-CB 3.36Å; L152-S177 PolarHBondContact O-OG 3.03Å; V163-S177 CarbonylContact C-O 3.59Å; V163-S177 VanDerWaalsContact CA-O 3.26Å; V163-S177 WeakPolarHBondContact CA-O 3.49Å; A164-S177 PolarHBondContact N-O 3.09Å; A164-S177 PolarHBondContact O-N 3.43Å; S177-G180 WeakPolarHBondContact OG-CA 3.36Å; S177-G180 PolarHBondContact OG-N 3.28Å
178	V	98.6	Very high	97.5	Very high	30 Å²	30	53.1 Å²	53.1	18%	0.182	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	97.5	173.4	-176.4	0	0	0	0	107.7	W162 L176 G180 K181 Q183	W162-V178 CarbonylContact O-C 3.52Å; W162-V178 WeakPolarHBondContact O-CA 3.2Å; L176-V178 HydrophobicContact CB-CG2 4.2Å; V178-G180 VanDerWaalsContact C-N 3.29Å; V178-G180 PolarHBondContact O-N 3.49Å; V178-K181 PolarHBondContact N-O 2.73Å; V178-K181 WeakPolarHBondContact O-CB 3.29Å; V178-K181 PolarHBondContact O-N 2.97Å; V178-K181 VanDerWaalsContact O-N 3.07Å; V178-Q183 HydrophobicContact CG2-CB 3.88Å
179	N	98.4	Very high	97.9	Very high	86 Å²	86	53.6 Å²	53.6	46%	0.46	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	46.7	-174.1	-58	-38.3	0	0	0	112.8	W162 K181	W162-N179 PolarHBondContact N-OD1 2.93Å; W162-N179 PolarHBondContact O-N 2.99Å; N179-K181 VanDerWaalsContact C-N 3.33Å
180	G	98.3	Very high	98.1	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-0.6	179.4	0	0	0	0	0	114.4	L152 E153 V155 S177 V178	L152-G180 CarbonylContact O-C 3.51Å; L152-G180 VanDerWaalsContact O-CA 3.31Å; L152-G180 WeakPolarHBondContact O-CA 3.43Å; E153-G180 WeakPolarHBondContact CA-O 3.29Å; V155-G180 VanDerWaalsContact CG2-N 3.34Å; S177-G180 WeakPolarHBondContact OG-CA 3.36Å; S177-G180 PolarHBondContact OG-N 3.28Å; V178-G180 VanDerWaalsContact C-N 3.29Å; V178-G180 PolarHBondContact O-N 3.49Å
181	K	98.5	Very high	98.2	Very high	162 Å²	162	61.9 Å²	61.9	70%	0.704	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.6	-179.7	-63.3	-176	179	-178.8	0	111.3	V178 N179 Q183	V178-K181 PolarHBondContact N-O 2.73Å; V178-K181 WeakPolarHBondContact O-CB 3.29Å; V178-K181 PolarHBondContact O-N 2.97Å; V178-K181 VanDerWaalsContact O-N 3.07Å; N179-K181 VanDerWaalsContact C-N 3.33Å; K181-Q183 PolarHBondContact O-N 3.06Å
182	A	98.5	Very high	98.2	Very high	62 Å²	62	62.5 Å²	62.5	51%	0.512	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.8	176.7	0	0	0	0	0	111.8	L152 T175 L176	L152-A182 HydrophobicContact CD1-CB 3.65Å; T175-A182 HydrophobicContact CG2-CB 3.89Å; L176-A182 CarbonylContact O-C 3.55Å; L176-A182 WeakPolarHBondContact O-CA 3.5Å
183	Q	98.6	Very high	98.2	Very high	67 Å²	67	60.7 Å²	60.7	31%	0.313	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.3	171.5	-176.5	176.6	-46.1	0	0	109.1	T175 L176 V178 K181 H185 R201	T175-Q183 WeakPolarHBondContact CA-O 3.37Å; L176-Q183 PolarHBondContact N-O 3.43Å; L176-Q183 PolarHBondContact O-N 3.06Å; V178-Q183 HydrophobicContact CG2-CB 3.88Å; K181-Q183 PolarHBondContact O-N 3.06Å; Q183-H185 PolarHBondContact NE2-CE1 3.1Å; Q183-H185 PolarHBondContact NE2-NE2 3.29Å; Q183-R201 VanDerWaalsContact NE2-NH2 3.13Å
184	K	98.4	Very high	98.3	Very high	178 Å²	178	55.6 Å²	55.6	77%	0.774	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	142	179.3	-66.5	-175.4	178.5	-178.2	0	111.4	T175	T175-K184 HydrophobicContact CG2-CG 4.27Å
185	H	98.6	Very high	98.3	Very high	21 Å²	21	55.4 Å²	55.4	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.7	175.1	-75.1	-91.8	0	0	0	110	N173 Y174 Q183 D192	N173-H185 WeakPolarHBondContact CA-O 3.15Å; Y174-H185 HydrophobicContact CD1-CB 4.43Å; Y174-H185 HydrophobicContact CD2-CB 3.93Å; Y174-H185 HydrophobicContact CE1-CB 4.02Å; Y174-H185 HydrophobicContact CE2-CB 3.45Å; Y174-H185 VanDerWaalsContact CE2-CB 3.45Å; Y174-H185 AromaticContact CE2-CD2 3.39Å; Y174-H185 WeakPolarHBondContact CE2-CD2 3.14Å; Y174-H185 AromaticContact CE2-CG 3.43Å; Y174-H185 VanDerWaalsContact CE2-CG 3.43Å; Y174-H185 HydrophobicContact CG-CB 4.37Å; Y174-H185 VanDerWaalsContact CZ-CB 3.5Å; Y174-H185 AromaticContact CZ-CG 3.65Å; Y174-H185 PolarHBondContact N-O 2.7Å; Y174-H185 PolarHBondContact O-N 3.04Å; Q183-H185 PolarHBondContact NE2-CE1 3.1Å; Q183-H185 PolarHBondContact NE2-NE2 3.29Å; H185-D192 HydrophobicContact CB-CB 4.25Å; H185-D192 WeakPolarHBondContact CB-OD1 3.44Å; H185-D192 IonicContact CG-OD1 2.8Å; H185-D192 IonicContact ND1-OD1 3.97Å; H185-D192 PolarHBondContact ND1-OD1 2.86Å; H185-D192 VanDerWaalsContact ND1-OD1 3.08Å
186	G	98.4	Very high	98.3	Very high	28 Å²	28	55.6 Å²	55.6	29%	0.289	30%	0.295	S	S	.	.			trans	-90.3	-135.8	-179.5	0	0	0	0	0	112.6	N173 D192	N173-G186 PolarHBondContact N-O 2.98Å; G186-D192 VanDerWaalsContact CA-OD2 3.23Å; G186-D192 WeakPolarHBondContact CA-OD2 3.46Å; G186-D192 PolarHBondContact N-OD1 3.42Å; G186-D192 PolarHBondContact N-OD2 3.04Å; G186-D192 WeakPolarHBondContact O-CB 3.2Å
187	A	97.6	Very high	98.3	Very high	61 Å²	61	56.2 Å²	56.2	50%	0.504	30%	0.299	S	S	.	.	S	Bend	trans	-127.7	14.2	-177.6	0	0	0	0	0	113.4	Y172 Y189 D192	Y172-A187 HydrophobicContact CD1-CB 4.41Å; Y172-A187 HydrophobicContact CG-CB 4.44Å; A187-Y189 PolarHBondContact O-N 2.52Å; A187-D192 PolarHBondContact N-OD2 3.4Å
188	D	98	Very high	98.3	Very high	78 Å²	78	56.2 Å²	56.2	42%	0.417	30%	0.299	S	S	.	.			trans	-76.3	111.7	174.1	176.6	-10.2	0	0	0	109	S190 R191 D192	D188-S190 PolarHBondContact O-N 2.91Å; D188-S190 VanDerWaalsContact O-N 3.11Å; D188-S190 PolarHBondContact OD1-N 3.31Å; D188-S190 PolarHBondContact OD1-OG 3.42Å; D188-S190 PolarHBondContact OD2-OG 3.36Å; D188-R191 PolarHBondContact O-N 3.35Å; D188-D192 PolarHBondContact N-OD2 3.26Å; D188-D192 WeakPolarHBondContact O-CA 3.42Å; D188-D192 VanDerWaalsContact O-CB 3.31Å; D188-D192 WeakPolarHBondContact O-CB 3.36Å; D188-D192 PolarHBondContact O-N 3.32Å
189	Y	97.6	Very high	98.3	Very high	69 Å²	69	54.8 Å²	54.8	27%	0.271	29%	0.291	S	S	.	.	H	α-helix	trans	-48.6	-42.7	-178.2	169.9	-113.8	0	0	0	113.6	Y172 A187 R191 Y193 D196 A231 P232 Q233	Y172-Y189 WeakPolarHBondContact OH-CD2 3.26Å; A187-Y189 PolarHBondContact O-N 2.52Å; Y189-R191 PolarHBondContact O-N 3.35Å; Y189-R191 VanDerWaalsContact O-N 3.1Å; Y189-Y193 HydrophobicContact CD2-CG 4.05Å; Y189-Y193 HydrophobicContact CE2-CD1 4.13Å; Y189-Y193 HydrophobicContact CE2-CG 4.05Å; Y189-D196 PolarHBondContact OH-OD2 3.28Å; Y189-A231 HydrophobicContact CD2-CB 4.41Å; Y189-A231 HydrophobicContact CE2-CB 3.6Å; Y189-P232 HydrophobicContact CD1-CG 4Å; Y189-P232 HydrophobicContact CD2-CG 3.96Å; Y189-P232 VanDerWaalsContact CE2-CD 3.5Å; Y189-P232 VanDerWaalsContact CG-CD 3.46Å; Y189-P232 HydrophobicContact CG-CG 3.68Å; Y189-Q233 PolarHBondContact OH-NE2 3.28Å; Y189-Q233 PolarHBondContact OH-OE1 2.8Å
190	S	96.6	Very high	98.3	Very high	91 Å²	91	54.5 Å²	54.5	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-66	-17	-175.2	68.6	0	0	0	0	113.9	D188	D188-S190 PolarHBondContact O-N 2.91Å; D188-S190 VanDerWaalsContact O-N 3.11Å; D188-S190 PolarHBondContact OD1-N 3.31Å; D188-S190 PolarHBondContact OD1-OG 3.42Å; D188-S190 PolarHBondContact OD2-OG 3.36Å
191	R	97.6	Very high	98.3	Very high	178 Å²	178	57.2 Å²	57.2	67%	0.672	30%	0.295	S	S	*	.	H	α-helix	trans	-126.5	-28.8	-172.1	-67.2	180	56.6	179.4	-4.6	114.5	D188 Y189 V197	D188-R191 PolarHBondContact O-N 3.35Å; Y189-R191 PolarHBondContact O-N 3.35Å; Y189-R191 VanDerWaalsContact O-N 3.1Å; R191-V197 VanDerWaalsContact O-CG2 3.23Å; R191-V197 WeakPolarHBondContact O-CG2 3.34Å
192	D	98.3	Very high	98.4	Very high	16 Å²	16	49.5 Å²	49.5	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-123.8	-0.2	-161.6	-62.6	-42.3	0	0	0	113.6	Y172 Y174 H185 G186 A187 D188 L194	Y172-D192 HydrophobicContact CD1-CB 4.2Å; Y172-D192 WeakPolarHBondContact CD1-O 3.46Å; Y174-D192 WeakPolarHBondContact CE1-O 3.4Å; Y174-D192 PolarHBondContact OH-O 3.33Å; Y174-D192 VanDerWaalsContact OH-O 3.11Å; H185-D192 HydrophobicContact CB-CB 4.25Å; H185-D192 WeakPolarHBondContact CB-OD1 3.44Å; H185-D192 IonicContact CG-OD1 2.8Å; H185-D192 IonicContact ND1-OD1 3.97Å; H185-D192 PolarHBondContact ND1-OD1 2.86Å; H185-D192 VanDerWaalsContact ND1-OD1 3.08Å; G186-D192 VanDerWaalsContact CA-OD2 3.23Å; G186-D192 WeakPolarHBondContact CA-OD2 3.46Å; G186-D192 PolarHBondContact N-OD1 3.42Å; G186-D192 PolarHBondContact N-OD2 3.04Å; G186-D192 WeakPolarHBondContact O-CB 3.2Å; A187-D192 PolarHBondContact N-OD2 3.4Å; D188-D192 PolarHBondContact N-OD2 3.26Å; D188-D192 WeakPolarHBondContact O-CA 3.42Å; D188-D192 VanDerWaalsContact O-CB 3.31Å; D188-D192 WeakPolarHBondContact O-CB 3.36Å; D188-D192 PolarHBondContact O-N 3.32Å; D192-L194 PolarHBondContact O-N 3.34Å; D192-L194 VanDerWaalsContact O-N 3.14Å
193	Y	98.6	Very high	98.4	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.247	C	C	.	.			trans	-69.7	114.7	173.6	-169.8	-116.9	0	0	0	110.1	Y171 Y172 Y189 T195 D196 V197 T229 A231 S288	Y171-Y193 AromaticContact CD1-CE2 3.81Å; Y171-Y193 HydrophobicContact CD1-CE2 3.81Å; Y171-Y193 AromaticContact CD1-CZ 3.9Å; Y171-Y193 HydrophobicContact CG-CE2 4.31Å; Y172-Y193 HydrophobicContact CD2-CD2 4.46Å; Y172-Y193 AromaticContact CE1-CD2 3.88Å; Y172-Y193 HydrophobicContact CE1-CD2 3.88Å; Y172-Y193 HydrophobicContact CE1-CG 4.41Å; Y172-Y193 AromaticContact CE2-CD2 3.7Å; Y172-Y193 HydrophobicContact CE2-CD2 3.7Å; Y172-Y193 HydrophobicContact CE2-CE2 4.12Å; Y172-Y193 AromaticContact CZ-CD2 3.39Å; Y172-Y193 WeakPolarHBondContact OH-CD2 3.45Å; Y189-Y193 HydrophobicContact CD2-CG 4.05Å; Y189-Y193 HydrophobicContact CE2-CD1 4.13Å; Y189-Y193 HydrophobicContact CE2-CG 4.05Å; Y193-T195 VanDerWaalsContact C-N 3.35Å; Y193-T195 PolarHBondContact O-N 3.33Å; Y193-D196 HydrophobicContact CD1-CB 4.37Å; Y193-D196 PolarHBondContact O-N 3.33Å; Y193-V197 PolarHBondContact O-N 3.45Å; Y193-T229 WeakPolarHBondContact CE2-O 3.49Å; Y193-T229 PolarHBondContact OH-O 3.17Å; Y193-A231 HydrophobicContact CD1-CB 4.11Å; Y193-A231 HydrophobicContact CE1-CB 3.76Å; Y193-A231 PolarHBondContact OH-N 2.84Å; Y193-S288 WeakPolarHBondContact CE1-OG 3.03Å
194	L	98.7	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-47.8	-166.7	-178.6	55.2	0	0	0	112.9	L165 K170 Y171 Y174 L176 D192 D196 V197 L198 P222	L165-L194 HydrophobicContact CD1-CD2 3.98Å; L165-L194 HydrophobicContact CD2-CD2 3.87Å; L165-L194 HydrophobicContact CG-CD2 4.44Å; K170-L194 VanDerWaalsContact O-CD2 3.26Å; K170-L194 WeakPolarHBondContact O-CD2 3.3Å; Y171-L194 PolarHBondContact O-N 2.91Å; Y174-L194 HydrophobicContact CD1-CB 4.21Å; Y174-L194 HydrophobicContact CD2-CD1 4.25Å; Y174-L194 HydrophobicContact CE1-CB 3.54Å; Y174-L194 HydrophobicContact CE1-CD1 4.06Å; Y174-L194 HydrophobicContact CE1-CG 4.23Å; Y174-L194 HydrophobicContact CE2-CD1 3.65Å; Y174-L194 WeakPolarHBondContact OH-CA 3.47Å; L176-L194 HydrophobicContact CD2-CD1 3.98Å; D192-L194 PolarHBondContact O-N 3.34Å; D192-L194 VanDerWaalsContact O-N 3.14Å; L194-D196 PolarHBondContact O-N 3.35Å; L194-V197 WeakPolarHBondContact O-CB 3.41Å; L194-V197 PolarHBondContact O-N 3Å; L194-V197 VanDerWaalsContact O-N 3.08Å; L194-L198 HydrophobicContact CD1-CD1 4.33Å; L194-L198 HydrophobicContact CD1-CD2 3.84Å; L194-L198 HydrophobicContact CD1-CG 3.86Å; L194-L198 HydrophobicContact CG-CD1 4.17Å; L194-L198 HydrophobicContact CG-CG 4.13Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.34Å; L194-L198 PolarHBondContact O-N 2.98Å; L194-P222 HydrophobicContact CD2-CG 3.71Å
195	T	98.6	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-37.9	-179	-51.4	0	0	0	0	112.1	Y193 L198 A199 V289 L292	Y193-T195 VanDerWaalsContact C-N 3.35Å; Y193-T195 PolarHBondContact O-N 3.33Å; T195-L198 PolarHBondContact O-N 3.47Å; T195-A199 WeakPolarHBondContact O-CB 3.31Å; T195-A199 PolarHBondContact O-N 3.45Å; T195-V289 HydrophobicContact CG2-CG2 4.33Å; T195-L292 HydrophobicContact CG2-CD1 4.19Å
196	D	98.7	Very high	98.4	Very high	26 Å²	26	39.7 Å²	39.7	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-72.9	-38.2	177.2	-74.7	-0	0	0	0	111.7	Y189 Y193 L194 A199 N200	Y189-D196 PolarHBondContact OH-OD2 3.28Å; Y193-D196 HydrophobicContact CD1-CB 4.37Å; Y193-D196 PolarHBondContact O-N 3.33Å; L194-D196 PolarHBondContact O-N 3.35Å; D196-A199 PolarHBondContact O-N 2.96Å; D196-N200 WeakPolarHBondContact O-CB 3.38Å; D196-N200 PolarHBondContact O-N 3.08Å; D196-N200 PolarHBondContact O-ND2 3.33Å
197	V	98.8	Very high	98.3	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-45	172.7	174	0	0	0	0	110.6	Y174 L176 R191 Y193 L194 N200 R201	Y174-V197 WeakPolarHBondContact OH-CG2 3.4Å; L176-V197 HydrophobicContact CD1-CG1 3.98Å; R191-V197 VanDerWaalsContact O-CG2 3.23Å; R191-V197 WeakPolarHBondContact O-CG2 3.34Å; Y193-V197 PolarHBondContact O-N 3.45Å; L194-V197 WeakPolarHBondContact O-CB 3.41Å; L194-V197 PolarHBondContact O-N 3Å; L194-V197 VanDerWaalsContact O-N 3.08Å; V197-N200 PolarHBondContact O-N 3.42Å; V197-R201 HydrophobicContact CG1-CG 4.36Å; V197-R201 WeakPolarHBondContact O-CB 3.32Å; V197-R201 WeakPolarHBondContact O-CG 3.15Å; V197-R201 PolarHBondContact O-N 2.89Å
198	L	98.8	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-46.1	176.2	-61.6	-176.3	0	0	0	111	A137 L194 T195 N200 R201 S202 V219 T221 L292	A137-L198 HydrophobicContact CB-CD2 3.92Å; L194-L198 HydrophobicContact CD1-CD1 4.33Å; L194-L198 HydrophobicContact CD1-CD2 3.84Å; L194-L198 HydrophobicContact CD1-CG 3.86Å; L194-L198 HydrophobicContact CG-CD1 4.17Å; L194-L198 HydrophobicContact CG-CG 4.13Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.34Å; L194-L198 PolarHBondContact O-N 2.98Å; T195-L198 PolarHBondContact O-N 3.47Å; L198-N200 PolarHBondContact O-N 2.98Å; L198-R201 PolarHBondContact O-N 3.32Å; L198-S202 PolarHBondContact O-N 3.1Å; L198-S202 PolarHBondContact O-OG 2.85Å; L198-S202 VanDerWaalsContact O-OG 3.08Å; L198-V219 HydrophobicContact CB-CG1 4.36Å; L198-T221 HydrophobicContact CD1-CG2 4.43Å; L198-L292 HydrophobicContact CB-CD1 4.28Å
199	A	98.8	Very high	98	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-49	176	0	0	0	0	0	111.6	T195 D196 R201 S202 L203 L292 K295	T195-A199 WeakPolarHBondContact O-CB 3.31Å; T195-A199 PolarHBondContact O-N 3.45Å; D196-A199 PolarHBondContact O-N 2.96Å; A199-R201 PolarHBondContact O-N 3.44Å; A199-S202 WeakPolarHBondContact O-CB 2.87Å; A199-S202 PolarHBondContact O-N 3.46Å; A199-L203 VanDerWaalsContact O-CG 3.31Å; A199-L203 WeakPolarHBondContact O-CG 3.47Å; A199-L203 PolarHBondContact O-N 2.9Å; A199-L292 HydrophobicContact CB-CB 4.08Å; A199-L292 HydrophobicContact CB-CD1 3.86Å; A199-L292 HydrophobicContact CB-CG 3.77Å; A199-K295 HydrophobicContact CB-CD 4.34Å
200	N	98.8	Very high	97.6	Very high	80 Å²	80	43.5 Å²	43.5	43%	0.428	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-42.2	-179.2	-69.3	-19.5	0	0	0	111.8	D196 V197 L198 S202 L203 D204	D196-N200 WeakPolarHBondContact O-CB 3.38Å; D196-N200 PolarHBondContact O-N 3.08Å; D196-N200 PolarHBondContact O-ND2 3.33Å; V197-N200 PolarHBondContact O-N 3.42Å; L198-N200 PolarHBondContact O-N 2.98Å; N200-S202 VanDerWaalsContact C-N 3.33Å; N200-S202 PolarHBondContact O-N 2.8Å; N200-L203 PolarHBondContact O-N 3.15Å; N200-D204 PolarHBondContact O-N 2.94Å
201	R	98.7	Very high	97.2	Very high	70 Å²	70	42.5 Å²	42.5	26%	0.264	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-37.9	175.8	-67.6	-67.4	-167	-171.7	8.3	112.5	F135 V163 Q183 V197 L198 A199 D204 F205	F135-R201 WeakPolarHBondContact CE2-O 3.21Å; F135-R201 HydrophobicContact CZ-CB 4.14Å; V163-R201 HydrophobicContact CG1-CG 4.23Å; Q183-R201 VanDerWaalsContact NE2-NH2 3.13Å; V197-R201 HydrophobicContact CG1-CG 4.36Å; V197-R201 WeakPolarHBondContact O-CB 3.32Å; V197-R201 WeakPolarHBondContact O-CG 3.15Å; V197-R201 PolarHBondContact O-N 2.89Å; L198-R201 PolarHBondContact O-N 3.32Å; A199-R201 PolarHBondContact O-N 3.44Å; R201-D204 PolarHBondContact O-N 2.97Å; R201-F205 PolarHBondContact O-N 2.85Å
202	S	98.8	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.8	-42.6	173.6	-63.2	0	0	0	0	111.8	F135 L198 A199 N200 F205 L206 M217 V219	F135-S202 WeakPolarHBondContact CE1-OG 3.32Å; L198-S202 PolarHBondContact O-N 3.1Å; L198-S202 PolarHBondContact O-OG 2.85Å; L198-S202 VanDerWaalsContact O-OG 3.08Å; A199-S202 WeakPolarHBondContact O-CB 2.87Å; A199-S202 PolarHBondContact O-N 3.46Å; N200-S202 VanDerWaalsContact C-N 3.33Å; N200-S202 PolarHBondContact O-N 2.8Å; S202-F205 PolarHBondContact O-N 3.17Å; S202-L206 WeakPolarHBondContact O-CG 3.46Å; S202-L206 PolarHBondContact O-N 3.18Å; S202-M217 WeakPolarHBondContact O-CE 3.28Å; S202-V219 VanDerWaalsContact OG-CG2 3.22Å; S202-V219 WeakPolarHBondContact OG-CG2 3.38Å
203	L	98.8	Very high	96.3	Very high	39 Å²	39	47.7 Å²	47.7	20%	0.204	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-40.5	176.4	-66.3	177.8	0	0	0	112.2	A199 N200 L206 Q207 K295 K299	A199-L203 VanDerWaalsContact O-CG 3.31Å; A199-L203 WeakPolarHBondContact O-CG 3.47Å; A199-L203 PolarHBondContact O-N 2.9Å; N200-L203 PolarHBondContact O-N 3.15Å; L203-L206 PolarHBondContact O-N 2.72Å; L203-Q207 WeakPolarHBondContact O-CB 3.45Å; L203-Q207 PolarHBondContact O-N 2.83Å; L203-K295 HydrophobicContact CD1-CB 4.26Å; L203-K295 HydrophobicContact CD1-CD 4.45Å; L203-K295 HydrophobicContact CD2-CB 4.31Å; L203-K299 HydrophobicContact CD2-CB 3.54Å; L203-K299 HydrophobicContact CD2-CD 4.34Å; L203-K299 HydrophobicContact CD2-CG 3.76Å
204	D	98.5	Very high	96.1	Very high	74 Å²	74	48.8 Å²	48.8	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-46.8	174.3	-73.6	-20	0	0	0	110.8	N200 R201 L206 Q207 Y208	N200-D204 PolarHBondContact O-N 2.94Å; R201-D204 PolarHBondContact O-N 2.97Å; D204-L206 VanDerWaalsContact C-N 3.34Å; D204-L206 PolarHBondContact O-N 3.03Å; D204-Q207 WeakPolarHBondContact O-CB 3.45Å; D204-Q207 PolarHBondContact O-N 2.94Å; D204-Q207 VanDerWaalsContact O-N 3.07Å; D204-Y208 HydrophobicContact CB-CD2 4.41Å; D204-Y208 HydrophobicContact CB-CE2 4.49Å; D204-Y208 WeakPolarHBondContact O-CD2 3.44Å; D204-Y208 PolarHBondContact O-N 2.8Å
205	F	98.6	Very high	96	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-46.7	174.9	169.7	-102.3	0	0	0	111.6	Q133 F135 Y161 R201 S202 Q207 Y208 K209 F215 M217	Q133-F205 HydrophobicContact CB-CE2 4.32Å; Q133-F205 HydrophobicContact CB-CZ 4.16Å; F135-F205 HydrophobicContact CB-CD1 3.8Å; F135-F205 HydrophobicContact CB-CD2 3.88Å; F135-F205 HydrophobicContact CB-CE1 3.75Å; F135-F205 HydrophobicContact CB-CE2 3.87Å; F135-F205 HydrophobicContact CB-CG 3.83Å; F135-F205 HydrophobicContact CB-CZ 3.78Å; F135-F205 HydrophobicContact CD2-CB 3.42Å; F135-F205 VanDerWaalsContact CD2-CB 3.42Å; F135-F205 HydrophobicContact CD2-CD1 4.12Å; F135-F205 AromaticContact CD2-CD2 3.78Å; F135-F205 HydrophobicContact CD2-CD2 3.78Å; F135-F205 AromaticContact CD2-CG 3.48Å; F135-F205 HydrophobicContact CD2-CG 3.48Å; F135-F205 VanDerWaalsContact CD2-CG 3.48Å; F135-F205 HydrophobicContact CE2-CB 3.62Å; F135-F205 HydrophobicContact CE2-CG 4.2Å; F135-F205 HydrophobicContact CG-CB 4.09Å; F135-F205 AromaticContact CG-CD1 3.93Å; F135-F205 HydrophobicContact CG-CD1 3.93Å; F135-F205 HydrophobicContact CG-CD2 4.16Å; F135-F205 HydrophobicContact CG-CE1 4.39Å; F135-F205 AromaticContact CG-CG 3.77Å; F135-F205 HydrophobicContact CG-CG 3.77Å; F135-F205 HydrophobicContact CZ-CB 4.4Å; Y161-F205 AromaticContact CD2-CD2 3.51Å; Y161-F205 HydrophobicContact CD2-CD2 3.51Å; Y161-F205 AromaticContact CD2-CE2 3.42Å; Y161-F205 HydrophobicContact CD2-CE2 3.42Å; Y161-F205 VanDerWaalsContact CD2-CE2 3.42Å; Y161-F205 AromaticContact CE2-CD2 3.79Å; Y161-F205 HydrophobicContact CE2-CD2 3.79Å; Y161-F205 AromaticContact CE2-CE2 3.58Å; Y161-F205 HydrophobicContact CE2-CE2 3.58Å; Y161-F205 HydrophobicContact CG-CD2 4.01Å; Y161-F205 HydrophobicContact CG-CE2 4.34Å; R201-F205 PolarHBondContact O-N 2.85Å; S202-F205 PolarHBondContact O-N 3.17Å; F205-Q207 PolarHBondContact O-N 2.88Å; F205-Y208 PolarHBondContact O-N 2.92Å; F205-K209 HydrophobicContact CD1-CD 4.4Å; F205-K209 HydrophobicContact CD2-CB 4.24Å; F205-K209 HydrophobicContact CE1-CD 3.87Å; F205-K209 HydrophobicContact CE2-CB 3.86Å; F205-K209 HydrophobicContact CZ-CB 4.04Å; F205-K209 HydrophobicContact CZ-CD 4.02Å; F205-K209 WeakPolarHBondContact O-CB 3.31Å; F205-K209 WeakPolarHBondContact O-CG 2.99Å; F205-K209 PolarHBondContact O-N 2.74Å; F205-F215 HydrophobicContact CE1-CB 4.04Å; F205-F215 AromaticContact CE1-CD2 3.79Å; F205-F215 HydrophobicContact CE1-CD2 3.79Å; F205-F215 AromaticContact CE1-CG 3.99Å; F205-F215 HydrophobicContact CE1-CG 3.99Å; F205-F215 HydrophobicContact CZ-CB 3.82Å; F205-F215 HydrophobicContact CZ-CD2 4.41Å; F205-F215 HydrophobicContact CZ-CG 4.28Å; F205-M217 HydrophobicContact CD1-CE 3.47Å; F205-M217 VanDerWaalsContact CD1-CE 3.47Å; F205-M217 HydrophobicContact CE1-CE 4.1Å; F205-M217 HydrophobicContact CG-CE 4.47Å
206	L	98.4	Very high	96	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-29.6	176.3	-68.2	176.2	0	0	0	112.6	S202 L203 D204 K209 F215 M217 I296 K299 L300 R303	S202-L206 WeakPolarHBondContact O-CG 3.46Å; S202-L206 PolarHBondContact O-N 3.18Å; L203-L206 PolarHBondContact O-N 2.72Å; D204-L206 VanDerWaalsContact C-N 3.34Å; D204-L206 PolarHBondContact O-N 3.03Å; L206-K209 HydrophobicContact CD2-CD 4.19Å; L206-F215 HydrophobicContact CD2-CE1 4.01Å; L206-F215 HydrophobicContact CD2-CE2 3.96Å; L206-F215 HydrophobicContact CD2-CZ 3.63Å; L206-M217 HydrophobicContact CD1-CE 4.12Å; L206-M217 HydrophobicContact CD2-CE 3.85Å; L206-M217 HydrophobicContact CG-CE 3.67Å; L206-I296 HydrophobicContact CD1-CG2 4.4Å; L206-K299 HydrophobicContact CB-CG 3.89Å; L206-K299 HydrophobicContact CD1-CB 4.01Å; L206-K299 HydrophobicContact CD1-CG 3.8Å; L206-L300 HydrophobicContact CD1-CD2 4.15Å; L206-L300 HydrophobicContact CD1-CG 4.26Å; L206-L300 HydrophobicContact CD2-CD2 3.84Å; L206-R303 WeakPolarHBondContact O-CD 3.31Å; L206-R303 PolarHBondContact O-NE 3.27Å; L206-R303 VanDerWaalsContact O-NE 3.11Å; L206-R303 PolarHBondContact O-NH1 3.48Å
207	Q	96.9	Very high	96	Very high	91 Å²	91	47.5 Å²	47.5	43%	0.425	23%	0.226	S	C	.	.	H	α-helix	trans	-70	-45.1	176.4	-178.5	61.7	31.2	0	0	111.7	L203 D204 F205	L203-Q207 WeakPolarHBondContact O-CB 3.45Å; L203-Q207 PolarHBondContact O-N 2.83Å; D204-Q207 WeakPolarHBondContact O-CB 3.45Å; D204-Q207 PolarHBondContact O-N 2.94Å; D204-Q207 VanDerWaalsContact O-N 3.07Å; F205-Q207 PolarHBondContact O-N 2.88Å
208	Y	95.5	Very high	96	Very high	177 Å²	177	47.2 Å²	47.2	69%	0.694	22%	0.224	S	C	*	.	H	α-helix	trans	-105.3	-11.7	-166.8	-61.3	-64.9	0	0	0	115.4	D204 F205	D204-Y208 HydrophobicContact CB-CD2 4.41Å; D204-Y208 HydrophobicContact CB-CE2 4.49Å; D204-Y208 WeakPolarHBondContact O-CD2 3.44Å; D204-Y208 PolarHBondContact O-N 2.8Å; F205-Y208 PolarHBondContact O-N 2.92Å
209	K	94.4	Very high	96	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.03	22%	0.224	C	C	.	.	S	Bend	trans	-57.3	152.5	174.6	68.8	177.6	-178.9	68.8	0	111.1	F205 L206 S211 F215 E305	F205-K209 HydrophobicContact CD1-CD 4.4Å; F205-K209 HydrophobicContact CD2-CB 4.24Å; F205-K209 HydrophobicContact CE1-CD 3.87Å; F205-K209 HydrophobicContact CE2-CB 3.86Å; F205-K209 HydrophobicContact CZ-CB 4.04Å; F205-K209 HydrophobicContact CZ-CD 4.02Å; F205-K209 WeakPolarHBondContact O-CB 3.31Å; F205-K209 WeakPolarHBondContact O-CG 2.99Å; F205-K209 PolarHBondContact O-N 2.74Å; L206-K209 HydrophobicContact CD2-CD 4.19Å; K209-S211 PolarHBondContact O-N 2.79Å; K209-F215 HydrophobicContact CD-CB 4.13Å; K209-F215 HydrophobicContact CD-CD1 3.52Å; K209-F215 HydrophobicContact CD-CE1 4.1Å; K209-F215 HydrophobicContact CD-CG 3.86Å; K209-E305 VanDerWaalsContact CE-OE2 3.24Å; K209-E305 WeakPolarHBondContact CE-OE2 3.4Å; K209-E305 IonicContact NZ-OE1 2.66Å; K209-E305 PolarHBondContact NZ-OE1 3.33Å; K209-E305 IonicContact NZ-OE2 3.2Å; K209-E305 PolarHBondContact NZ-OE2 3.03Å
210	S	89.8	Confident	96	Very high	42 Å²	42	47.1 Å²	47.1	29%	0.294	22%	0.223	S	C	.	.			trans	-59.8	136.1	170.9	175.4	0	0	0	0	110.8	Q133 Y212	Q133-S210 PolarHBondContact NE2-O 3.04Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact OG-N 2.9Å
211	S	86.8	Confident	96	Very high	69 Å²	69	43.3 Å²	43.3	48%	0.483	20%	0.203	S	C	.	.	S	Bend	trans	-83.2	-6.4	174.7	-55.9	0	0	0	0	113	K209 R303	K209-S211 PolarHBondContact O-N 2.79Å; S211-R303 PolarHBondContact OG-NH2 3.01Å
212	Y	85.8	Confident	95.8	Very high	211 Å²	211	40 Å²	40	83%	0.827	19%	0.191	S	C	*	.	S	Bend	trans	-96	-16.6	-177.9	-59.1	-73.7	0	0	0	113.6	S210	S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact OG-N 2.9Å
213	Q	90.9	Very high	95.8	Very high	93 Å²	93	40 Å²	40	44%	0.435	19%	0.191	S	C	.	.	S	Bend	trans	-110.5	138.8	-179.4	-76.4	178.1	-4.7	0	0	109.7	G131 Q133	G131-Q213 WeakPolarHBondContact O-CB 3.31Å; Q133-Q213 HydrophobicContact CG-CB 4.07Å; Q133-Q213 VanDerWaalsContact CG-OE1 3.25Å; Q133-Q213 PolarHBondContact NE2-O 2.91Å
214	P	94.9	Very high	95.7	Very high	23 Å²	23	38.1 Å²	38.1	15%	0.149	18%	0.181	C	C	.	.			trans	-62.1	159.9	169.4	31	-36.8	0	0	0	110	R36 N38 G131 Y132 Q133	R36-P214 HydrophobicContact CB-CB 4.29Å; R36-P214 HydrophobicContact CB-CG 4.22Å; N38-P214 WeakPolarHBondContact OD1-CA 3.41Å; G131-P214 WeakPolarHBondContact O-CD 3.33Å; Y132-P214 WeakPolarHBondContact CA-O 3.39Å; Y132-P214 HydrophobicContact CD1-CB 4.2Å; Y132-P214 HydrophobicContact CD1-CG 4.36Å; Y132-P214 HydrophobicContact CD2-CB 4.29Å; Y132-P214 HydrophobicContact CD2-CG 3.66Å; Y132-P214 HydrophobicContact CE1-CB 3.89Å; Y132-P214 HydrophobicContact CE1-CG 4.32Å; Y132-P214 HydrophobicContact CE2-CB 3.99Å; Y132-P214 HydrophobicContact CE2-CG 3.61Å; Y132-P214 HydrophobicContact CG-CB 4.4Å; Y132-P214 HydrophobicContact CG-CG 4.05Å; Q133-P214 PolarHBondContact N-O 2.82Å
215	F	97.5	Very high	95.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.2	174.9	74.3	-93.2	0	0	0	113.2	N38 I39 V40 Y132 Q133 F205 L206 K209 M217 L300 T309	N38-F215 WeakPolarHBondContact CA-O 3.48Å; N38-F215 HydrophobicContact CB-CD1 3.7Å; N38-F215 HydrophobicContact CB-CD2 4.42Å; N38-F215 HydrophobicContact CB-CE1 3.37Å; N38-F215 HydrophobicContact CB-CE2 4.12Å; N38-F215 HydrophobicContact CB-CG 4.22Å; N38-F215 HydrophobicContact CB-CZ 3.57Å; N38-F215 WeakPolarHBondContact ND2-CE1 3.32Å; N38-F215 WeakPolarHBondContact OD1-CD1 3.42Å; N38-F215 WeakPolarHBondContact OD1-CE1 3.24Å; N38-F215 PolarHBondContact OD1-N 2.95Å; N38-F215 VanDerWaalsContact OD1-N 3.09Å; I39-F215 PolarHBondContact N-O 2.87Å; V40-F215 HydrophobicContact CG2-CE2 3.78Å; V40-F215 HydrophobicContact CG2-CZ 4.24Å; Y132-F215 VanDerWaalsContact CD1-C 3.41Å; Q133-F215 HydrophobicContact CB-CB 4.17Å; Q133-F215 CarbonylContact O-C 3.54Å; Q133-F215 WeakPolarHBondContact O-CA 3.47Å; Q133-F215 WeakPolarHBondContact O-CB 3.47Å; F205-F215 HydrophobicContact CE1-CB 4.04Å; F205-F215 AromaticContact CE1-CD2 3.79Å; F205-F215 HydrophobicContact CE1-CD2 3.79Å; F205-F215 AromaticContact CE1-CG 3.99Å; F205-F215 HydrophobicContact CE1-CG 3.99Å; F205-F215 HydrophobicContact CZ-CB 3.82Å; F205-F215 HydrophobicContact CZ-CD2 4.41Å; F205-F215 HydrophobicContact CZ-CG 4.28Å; L206-F215 HydrophobicContact CD2-CE1 4.01Å; L206-F215 HydrophobicContact CD2-CE2 3.96Å; L206-F215 HydrophobicContact CD2-CZ 3.63Å; K209-F215 HydrophobicContact CD-CB 4.13Å; K209-F215 HydrophobicContact CD-CD1 3.52Å; K209-F215 HydrophobicContact CD-CE1 4.1Å; K209-F215 HydrophobicContact CD-CG 3.86Å; F215-M217 HydrophobicContact CD2-CB 4.03Å; F215-M217 HydrophobicContact CE2-CB 4.01Å; F215-L300 HydrophobicContact CE1-CD2 4.15Å; F215-L300 HydrophobicContact CZ-CD2 3.64Å; F215-T309 HydrophobicContact CZ-CG2 4.39Å
216	F	98.4	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.6	165.2	170.1	-114.3	0	0	0	108.2	I39 L41 F122 P123 L126 Y132 Q133 T134 F135 W159 M218 I368	I39-F216 HydrophobicContact CB-CD2 3.87Å; I39-F216 HydrophobicContact CG2-CD2 3.75Å; I39-F216 HydrophobicContact CG2-CE2 4.07Å; I39-F216 CarbonylContact O-C 3.42Å; I39-F216 VanDerWaalsContact O-CA 3.27Å; I39-F216 WeakPolarHBondContact O-CA 3.4Å; L41-F216 HydrophobicContact CB-CE2 4.02Å; L41-F216 HydrophobicContact CB-CZ 4.29Å; F122-F216 HydrophobicContact CD2-CE1 4.47Å; F122-F216 HydrophobicContact CE2-CD1 4.2Å; F122-F216 AromaticContact CE2-CE1 3.41Å; F122-F216 HydrophobicContact CE2-CE1 3.41Å; F122-F216 VanDerWaalsContact CE2-CE1 3.41Å; F122-F216 AromaticContact CE2-CE2 3.94Å; F122-F216 HydrophobicContact CE2-CE2 3.94Å; F122-F216 AromaticContact CE2-CZ 3.28Å; F122-F216 HydrophobicContact CE2-CZ 3.28Å; F122-F216 AromaticContact CZ-CE1 3.9Å; F122-F216 HydrophobicContact CZ-CE1 3.9Å; F122-F216 HydrophobicContact CZ-CE2 4.42Å; F122-F216 AromaticContact CZ-CZ 3.55Å; F122-F216 HydrophobicContact CZ-CZ 3.55Å; P123-F216 HydrophobicContact CG-CE1 4.23Å; L126-F216 HydrophobicContact CD1-CB 3.9Å; L126-F216 HydrophobicContact CD1-CD1 3.87Å; L126-F216 HydrophobicContact CD1-CD2 4.41Å; L126-F216 HydrophobicContact CD1-CG 3.77Å; Y132-F216 HydrophobicContact CD1-CB 3.88Å; Y132-F216 HydrophobicContact CE1-CB 4.46Å; Q133-F216 PolarHBondContact O-N 2.96Å; T134-F216 CarbonylContact C-O 3.46Å; T134-F216 VanDerWaalsContact CA-O 3.3Å; T134-F216 WeakPolarHBondContact CA-O 3.49Å; T134-F216 HydrophobicContact CG2-CB 4.3Å; T134-F216 HydrophobicContact CG2-CD1 4.36Å; F135-F216 PolarHBondContact N-O 2.82Å; W159-F216 HydrophobicContact CH2-CD1 4.33Å; W159-F216 AromaticContact CH2-CE1 3.59Å; W159-F216 HydrophobicContact CH2-CE1 3.59Å; W159-F216 AromaticContact CZ3-CD1 3.9Å; W159-F216 HydrophobicContact CZ3-CD1 3.9Å; W159-F216 AromaticContact CZ3-CE1 3.6Å; W159-F216 HydrophobicContact CZ3-CE1 3.6Å; F216-M218 HydrophobicContact CE1-CB 4.01Å; F216-M218 HydrophobicContact CZ-CB 3.74Å; F216-M218 HydrophobicContact CZ-CG 4.49Å; F216-I368 HydrophobicContact CD2-CG2 4.41Å; F216-I368 HydrophobicContact CE2-CD1 4.14Å; F216-I368 HydrophobicContact CE2-CG2 4.45Å
217	M	98.9	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.5	177	166	-176.8	-68.6	0	0	108.6	I39 V40 L41 F135 S202 F205 L206 F215 V219 I296	I39-M217 PolarHBondContact O-N 2.77Å; V40-M217 CarbonylContact C-O 3.58Å; V40-M217 VanDerWaalsContact CA-O 3.32Å; V40-M217 WeakPolarHBondContact CA-O 3.2Å; V40-M217 HydrophobicContact CG1-CG 4.34Å; V40-M217 HydrophobicContact CG1-SD 4.15Å; V40-M217 HydrophobicContact CG2-CB 4.27Å; V40-M217 HydrophobicContact CG2-SD 4.39Å; L41-M217 PolarHBondContact N-O 2.89Å; F135-M217 HydrophobicContact CD1-CB 4.37Å; F135-M217 HydrophobicContact CD1-CE 4.27Å; F135-M217 HydrophobicContact CD1-CG 3.75Å; F135-M217 HydrophobicContact CE1-CE 4.48Å; F135-M217 HydrophobicContact CE1-CG 4.28Å; F135-M217 CarbonylContact O-C 3.58Å; F135-M217 WeakPolarHBondContact O-CA 3.46Å; S202-M217 WeakPolarHBondContact O-CE 3.28Å; F205-M217 HydrophobicContact CD1-CE 3.47Å; F205-M217 VanDerWaalsContact CD1-CE 3.47Å; F205-M217 HydrophobicContact CE1-CE 4.1Å; F205-M217 HydrophobicContact CG-CE 4.47Å; L206-M217 HydrophobicContact CD1-CE 4.12Å; L206-M217 HydrophobicContact CD2-CE 3.85Å; L206-M217 HydrophobicContact CG-CE 3.67Å; F215-M217 HydrophobicContact CD2-CB 4.03Å; F215-M217 HydrophobicContact CE2-CB 4.01Å; M217-V219 HydrophobicContact CG-CG2 3.68Å; M217-V219 HydrophobicContact SD-CG2 3.75Å; M217-I296 HydrophobicContact SD-CD1 4.01Å; M217-I296 HydrophobicContact SD-CG2 4.43Å
218	M	98.9	Very high	95.3	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.4	167.5	-173.6	172.1	179.2	0	0	109.6	L41 L43 L89 F135 F136 A137 W159 F216	L41-M218 HydrophobicContact CB-CG 4.42Å; L41-M218 HydrophobicContact CD2-CE 4.04Å; L41-M218 HydrophobicContact CD2-CG 4.17Å; L41-M218 HydrophobicContact CD2-SD 4.1Å; L41-M218 HydrophobicContact CG-CG 4.34Å; L41-M218 CarbonylContact O-C 3.49Å; L41-M218 VanDerWaalsContact O-CA 3.29Å; L41-M218 WeakPolarHBondContact O-CA 3.38Å; L43-M218 HydrophobicContact CB-CE 4.45Å; L43-M218 HydrophobicContact CD2-CE 3.66Å; L89-M218 HydrophobicContact CD2-SD 4.48Å; F135-M218 PolarHBondContact O-N 2.89Å; F136-M218 CarbonylContact C-O 3.57Å; F136-M218 WeakPolarHBondContact CA-O 3.25Å; F136-M218 HydrophobicContact CD2-CB 3.98Å; F136-M218 HydrophobicContact CD2-CG 4.01Å; F136-M218 HydrophobicContact CD2-SD 4Å; F136-M218 HydrophobicContact CE2-CE 4.29Å; F136-M218 HydrophobicContact CE2-CG 4.07Å; F136-M218 HydrophobicContact CE2-SD 3.88Å; A137-M218 PolarHBondContact N-O 3.2Å; W159-M218 HydrophobicContact CH2-CB 3.89Å; W159-M218 HydrophobicContact CH2-SD 4.12Å; W159-M218 HydrophobicContact CZ3-CB 4.23Å; F216-M218 HydrophobicContact CE1-CB 4.01Å; F216-M218 HydrophobicContact CZ-CB 3.74Å; F216-M218 HydrophobicContact CZ-CG 4.49Å
219	V	98.9	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.6	174.9	-168.3	0	0	0	0	108.2	L41 I42 L43 F135 A137 L198 S202 M217 T221 L292 I296	L41-V219 PolarHBondContact O-N 3.18Å; I42-V219 CarbonylContact C-O 3.53Å; I42-V219 WeakPolarHBondContact CA-O 3.31Å; L43-V219 PolarHBondContact N-O 3.23Å; F135-V219 HydrophobicContact CE1-CG2 4.4Å; A137-V219 CarbonylContact O-C 3.57Å; A137-V219 WeakPolarHBondContact O-CA 3.14Å; L198-V219 HydrophobicContact CB-CG1 4.36Å; S202-V219 VanDerWaalsContact OG-CG2 3.22Å; S202-V219 WeakPolarHBondContact OG-CG2 3.38Å; M217-V219 HydrophobicContact CG-CG2 3.68Å; M217-V219 HydrophobicContact SD-CG2 3.75Å; V219-T221 HydrophobicContact CG1-CG2 4.38Å; V219-L292 HydrophobicContact CG1-CD1 3.95Å; V219-L292 HydrophobicContact CG1-CD2 4.14Å; V219-I296 HydrophobicContact CG2-CD1 3.96Å
220	S	98.6	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	88	-170.5	-179.8	0	0	0	0	109.9	L43 R85 A137 G138 K139	L43-S220 CarbonylContact O-C 3.59Å; L43-S220 WeakPolarHBondContact O-CA 2.88Å; R85-S220 PolarHBondContact NH1-OG 3.23Å; A137-S220 PolarHBondContact O-N 2.84Å; G138-S220 CarbonylContact C-O 3.53Å; G138-S220 VanDerWaalsContact CA-O 3.24Å; G138-S220 WeakPolarHBondContact CA-O 3.42Å; K139-S220 PolarHBondContact N-O 3.13Å; K139-S220 VanDerWaalsContact O-CB 3.25Å; K139-S220 WeakPolarHBondContact O-CB 3.26Å; K139-S220 PolarHBondContact O-OG 2.56Å
221	T	97.8	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.3	-175.2	63.5	0	0	0	0	110.4	L43 D45 L198 V219 A223 V289 L292	L43-T221 PolarHBondContact O-N 2.89Å; L43-T221 PolarHBondContact O-OG1 2.89Å; D45-T221 PolarHBondContact N-O 3.01Å; L198-T221 HydrophobicContact CD1-CG2 4.43Å; V219-T221 HydrophobicContact CG1-CG2 4.38Å; T221-A223 PolarHBondContact O-N 3.11Å; T221-V289 HydrophobicContact CG2-CG1 4.49Å; T221-V289 HydrophobicContact CG2-CG2 4.3Å; T221-L292 HydrophobicContact CG2-CD1 3.97Å
222	P	95.4	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-3	175.3	30.2	-33.2	0	0	0	113.4	K170 L194 H225	K170-P222 WeakPolarHBondContact O-CG 2.99Å; L194-P222 HydrophobicContact CD2-CG 3.71Å; P222-H225 WeakPolarHBondContact O-CA 3.19Å; P222-H225 WeakPolarHBondContact O-CB 3.39Å; P222-H225 PolarHBondContact O-N 3.11Å
223	A	97.3	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.4	175.1	0	0	0	0	0	110.9	A44 D45 Y171 T221 V289	A44-A223 WeakPolarHBondContact CB-O 3.27Å; D45-A223 PolarHBondContact N-O 2.8Å; D45-A223 CarbonylContact O-C 3.56Å; Y171-A223 HydrophobicContact CE1-CB 4.12Å; Y171-A223 WeakPolarHBondContact OH-CA 3.26Å; T221-A223 PolarHBondContact O-N 3.11Å; A223-V289 HydrophobicContact CB-CG2 3.7Å
224	P	97.7	Very high	97.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-91	27.1	0.3	37.6	-41	0	0	0	116.7	D45 D46 L47 W228 R282 L286	D45-P224 WeakPolarHBondContact O-CD 3.38Å; D46-P224 WeakPolarHBondContact O-CG 3.4Å; L47-P224 HydrophobicContact CB-CG 4.35Å; L47-P224 HydrophobicContact CD1-CG 4.26Å; P224-W228 PolarHBondContact O-NE1 3.03Å; P224-W228 VanDerWaalsContact O-NE1 3.11Å; P224-R282 HydrophobicContact CB-CB 3.96Å; P224-R282 HydrophobicContact CB-CG 4.3Å; P224-L286 HydrophobicContact CB-CD1 4.32Å; P224-L286 HydrophobicContact CB-CD2 4.26Å; P224-L286 HydrophobicContact CB-CG 4.01Å; P224-L286 HydrophobicContact CG-CD1 4.32Å; P224-L286 HydrophobicContact CG-CD2 4.21Å; P224-L286 HydrophobicContact CG-CG 4.31Å
225	H	97.1	Very high	97.4	Very high	22 Å²	22	24.4 Å²	24.4	10%	0.102	13%	0.133	C	C	.	.	S	Bend	trans	-56.5	153.9	175.8	-166.3	-79.3	0	0	0	112.8	D45 D46 S169 Y171 P222 W228 K330	D45-H225 HydrophobicContact CB-CB 4.19Å; D45-H225 PolarHBondContact O-N 3.01Å; D45-H225 VanDerWaalsContact O-N 3.13Å; D45-H225 IonicContact OD1-CD2 3.17Å; D45-H225 PolarHBondContact OD1-CD2 3.24Å; D45-H225 IonicContact OD1-CG 2.78Å; D46-H225 IonicContact OD1-CD2 3.87Å; D46-H225 IonicContact OD2-CD2 3.02Å; D46-H225 PolarHBondContact OD2-CD2 3.39Å; D46-H225 IonicContact OD2-CG 3.68Å; D46-H225 IonicContact OD2-NE2 3.69Å; S169-H225 WeakPolarHBondContact CB-ND1 3.26Å; Y171-H225 WeakPolarHBondContact CE2-O 3.26Å; Y171-H225 PolarHBondContact OH-O 3.08Å; P222-H225 WeakPolarHBondContact O-CA 3.19Å; P222-H225 WeakPolarHBondContact O-CB 3.39Å; P222-H225 PolarHBondContact O-N 3.11Å; H225-W228 VanDerWaalsContact C-CD1 3.49Å; H225-W228 PolarHBondContact O-N 2.79Å; H225-K330 PolarHBondContact CD2-NZ 3.37Å; H225-K330 VanDerWaalsContact CD2-NZ 3.26Å; H225-K330 PolarHBondContact NE2-NZ 3.01Å
226	S	95.1	Very high	97.3	Very high	45 Å²	45	30.4 Å²	30.4	32%	0.315	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	147.7	171.7	68.4	0	0	0	0	110.8	W228	S226-W228 VanDerWaalsContact N-NE1 3.16Å
227	P	96.3	Very high	97.3	Very high	76 Å²	76	35.9 Å²	35.9	49%	0.494	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.6	21.2	14.1	36.7	-39.5	0	0	0	115.9	Y171 T229	Y171-P227 HydrophobicContact CD2-CG 4.04Å; Y171-P227 HydrophobicContact CE2-CG 4.42Å; P227-T229 VanDerWaalsContact C-N 3.26Å; P227-T229 PolarHBondContact O-N 2.66Å; P227-T229 VanDerWaalsContact O-N 3.12Å
228	W	96.1	Very high	97.2	Very high	33 Å²	33	38.1 Å²	38.1	13%	0.125	20%	0.195	C	C	.	.			trans	54.6	34.8	172.6	-43.7	-53.8	0	0	0	115.4	P224 H225 S226 A230 F274 A278 K281 R282 T285 L328	P224-W228 PolarHBondContact O-NE1 3.03Å; P224-W228 VanDerWaalsContact O-NE1 3.11Å; H225-W228 VanDerWaalsContact C-CD1 3.49Å; H225-W228 PolarHBondContact O-N 2.79Å; S226-W228 VanDerWaalsContact N-NE1 3.16Å; W228-A230 PolarHBondContact O-N 3.06Å; W228-F274 HydrophobicContact CZ3-CZ 4.48Å; W228-A278 HydrophobicContact CE3-CB 4.11Å; W228-A278 HydrophobicContact CH2-CB 3.8Å; W228-A278 HydrophobicContact CZ2-CB 4.35Å; W228-A278 HydrophobicContact CZ3-CB 3.65Å; W228-K281 HydrophobicContact CB-CB 3.58Å; W228-K281 HydrophobicContact CG-CB 4.39Å; W228-R282 HydrophobicContact CD2-CG 4.26Å; W228-R282 HydrophobicContact CG-CG 3.94Å; W228-R282 VanDerWaalsContact NE1-CG 3.26Å; W228-T285 VanDerWaalsContact C-CG2 3.44Å; W228-T285 HydrophobicContact CB-CG2 4.49Å; W228-L328 HydrophobicContact CH2-CD1 3.94Å; W228-L328 HydrophobicContact CH2-CD2 4.07Å; W228-L328 HydrophobicContact CZ2-CD1 4.2Å
229	T	97	Very high	97.1	Very high	52 Å²	52	41.8 Å²	41.8	32%	0.319	22%	0.215	S	C	.	.			trans	-80.7	104.2	-179.6	-48.2	0	0	0	0	110	Y171 Y172 Y193 P227	Y171-T229 VanDerWaalsContact CD1-O 3.23Å; Y171-T229 WeakPolarHBondContact CD1-O 3.45Å; Y172-T229 HydrophobicContact CD2-CG2 4.05Å; Y172-T229 HydrophobicContact CE2-CG2 3.85Å; Y193-T229 WeakPolarHBondContact CE2-O 3.49Å; Y193-T229 PolarHBondContact OH-O 3.17Å; P227-T229 VanDerWaalsContact C-N 3.26Å; P227-T229 PolarHBondContact O-N 2.66Å; P227-T229 VanDerWaalsContact O-N 3.12Å
230	A	97.6	Very high	96.9	Very high	8 Å²	8	49.1 Å²	49.1	7%	0.066	25%	0.254	C	S	.	.			trans	-75.4	151	178.1	0	0	0	0	0	112.3	W228 R284 T285	W228-A230 PolarHBondContact O-N 3.06Å; A230-R284 HydrophobicContact CB-CB 3.48Å; A230-R284 VanDerWaalsContact CB-CB 3.48Å; A230-T285 HydrophobicContact CB-CG2 4.34Å
231	A	97.9	Very high	96.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.			trans	-55.4	143.5	166.2	0	0	0	0	0	110.2	Y189 Y193 Q233 Y234 Q235	Y189-A231 HydrophobicContact CD2-CB 4.41Å; Y189-A231 HydrophobicContact CE2-CB 3.6Å; Y193-A231 HydrophobicContact CD1-CB 4.11Å; Y193-A231 HydrophobicContact CE1-CB 3.76Å; Y193-A231 PolarHBondContact OH-N 2.84Å; A231-Q233 VanDerWaalsContact C-N 3.29Å; A231-Q233 PolarHBondContact O-N 3.11Å; A231-Q233 VanDerWaalsContact O-N 3.16Å; A231-Y234 HydrophobicContact CB-CD2 4.06Å; A231-Y234 PolarHBondContact O-N 3.15Å; A231-Q235 PolarHBondContact O-N 3.2Å
232	P	97.9	Very high	96.7	Very high	54 Å²	54	57 Å²	57	35%	0.351	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-50.7	-42.8	-173.7	-30.6	37.6	0	0	0	114.6	Y189 Y234 Q235	Y189-P232 HydrophobicContact CD1-CG 4Å; Y189-P232 HydrophobicContact CD2-CG 3.96Å; Y189-P232 VanDerWaalsContact CE2-CD 3.5Å; Y189-P232 VanDerWaalsContact CG-CD 3.46Å; Y189-P232 HydrophobicContact CG-CG 3.68Å; P232-Y234 PolarHBondContact O-N 3.28Å; P232-Y234 VanDerWaalsContact O-N 3.07Å; P232-Q235 WeakPolarHBondContact O-CB 3.45Å; P232-Q235 PolarHBondContact O-N 3.48Å
233	Q	98.1	Very high	96.7	Very high	87 Å²	87	57.1 Å²	57.1	41%	0.407	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-64.7	-13.1	179.3	71.2	-82.5	12.8	0	0	114.5	Y189 A231	Y189-Q233 PolarHBondContact OH-NE2 3.28Å; Y189-Q233 PolarHBondContact OH-OE1 2.8Å; A231-Q233 VanDerWaalsContact C-N 3.29Å; A231-Q233 PolarHBondContact O-N 3.11Å; A231-Q233 VanDerWaalsContact O-N 3.16Å
234	Y	98.3	Very high	96.6	Very high	31 Å²	31	58.6 Å²	58.6	12%	0.122	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-108.4	-1.7	-179.7	-62.8	-39.9	0	0	0	113.7	A231 P232 D236 R237 R284 L287 D291	A231-Y234 HydrophobicContact CB-CD2 4.06Å; A231-Y234 PolarHBondContact O-N 3.15Å; P232-Y234 PolarHBondContact O-N 3.28Å; P232-Y234 VanDerWaalsContact O-N 3.07Å; Y234-D236 VanDerWaalsContact C-N 3.27Å; Y234-D236 PolarHBondContact O-N 3.12Å; Y234-R237 HydrophobicContact CD1-CG 4.24Å; Y234-R237 PolarHBondContact O-N 2.7Å; Y234-R284 WeakPolarHBondContact O-CD 3.43Å; Y234-R284 VanDerWaalsContact O-CG 3.26Å; Y234-R284 WeakPolarHBondContact O-CG 3.48Å; Y234-L287 HydrophobicContact CD1-CB 3.88Å; Y234-L287 HydrophobicContact CD1-CD1 3.48Å; Y234-L287 VanDerWaalsContact CD1-CD1 3.48Å; Y234-L287 HydrophobicContact CD1-CG 4.31Å; Y234-L287 HydrophobicContact CD2-CB 3.5Å; Y234-L287 VanDerWaalsContact CD2-CB 3.5Å; Y234-L287 HydrophobicContact CD2-CD1 4.41Å; Y234-L287 HydrophobicContact CE1-CB 3.94Å; Y234-L287 HydrophobicContact CE1-CD1 4.06Å; Y234-L287 HydrophobicContact CE2-CB 3.57Å; Y234-L287 HydrophobicContact CG-CB 3.67Å; Y234-L287 HydrophobicContact CG-CD1 3.69Å; Y234-L287 HydrophobicContact CG-CG 4.34Å; Y234-D291 WeakPolarHBondContact CE2-OD2 3.23Å; Y234-D291 VanDerWaalsContact OH-CG 3.23Å; Y234-D291 PolarHBondContact OH-OD1 3.21Å; Y234-D291 PolarHBondContact OH-OD2 3.31Å
235	Q	95.9	Very high	96.5	Very high	99 Å²	99	63.5 Å²	63.5	46%	0.463	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.7	-174.2	-72.4	-177.9	-0.6	0	0	113.7	A231 P232 R284	A231-Q235 PolarHBondContact O-N 3.2Å; P232-Q235 WeakPolarHBondContact O-CB 3.45Å; P232-Q235 PolarHBondContact O-N 3.48Å; Q235-R284 WeakPolarHBondContact O-CD 3.49Å; Q235-R284 PolarHBondContact O-NE 3.32Å; Q235-R284 VanDerWaalsContact O-NE 3.1Å; Q235-R284 PolarHBondContact O-NH1 3.26Å; Q235-R284 PolarHBondContact O-NH2 2.99Å
236	D	95.4	Very high	96.5	Very high	127 Å²	127	64.2 Å²	64.2	68%	0.679	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	10.9	-177.5	-59.1	-45.9	0	0	0	113.9	Y234 N239	Y234-D236 VanDerWaalsContact C-N 3.27Å; Y234-D236 PolarHBondContact O-N 3.12Å; D236-N239 VanDerWaalsContact O-CG 3.31Å; D236-N239 PolarHBondContact O-ND2 3.22Å; D236-N239 PolarHBondContact O-OD1 3.23Å
237	R	97.9	Very high	96.6	Very high	114 Å²	114	65.4 Å²	65.4	43%	0.43	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	150.1	178.7	-60.5	-64	-60.5	-74.5	-3.7	110.7	Y234 N239 R284 L287	Y234-R237 HydrophobicContact CD1-CG 4.24Å; Y234-R237 PolarHBondContact O-N 2.7Å; R237-N239 VanDerWaalsContact C-N 3.28Å; R237-N239 PolarHBondContact O-N 3.19Å; R237-R284 HydrophobicContact CB-CG 4.34Å; R237-R284 VanDerWaalsContact O-CZ 3.25Å; R237-R284 PolarHBondContact O-NE 2.81Å; R237-R284 PolarHBondContact O-NH2 3.45Å; R237-L287 HydrophobicContact CB-CD1 3.96Å; R237-L287 HydrophobicContact CG-CD1 3.8Å
238	F	97	Very high	96.7	Very high	47 Å²	47	62 Å²	62	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	27.4	173.1	-48.6	-64	0	0	0	115.1	P56 D240 T241 R280 W283 R284 L287	P56-F238 HydrophobicContact CB-CE2 4.12Å; P56-F238 HydrophobicContact CB-CZ 3.92Å; F238-D240 PolarHBondContact O-N 3.23Å; F238-D240 VanDerWaalsContact O-N 3.12Å; F238-T241 WeakPolarHBondContact CB-OG1 3.29Å; F238-T241 VanDerWaalsContact O-CB 3.31Å; F238-T241 WeakPolarHBondContact O-CB 3.45Å; F238-T241 PolarHBondContact O-N 2.91Å; F238-T241 PolarHBondContact O-OG1 3.1Å; F238-R280 WeakPolarHBondContact O-CD 3.09Å; F238-R280 VanDerWaalsContact O-CG 3.26Å; F238-R280 WeakPolarHBondContact O-CG 3.46Å; F238-W283 HydrophobicContact CD1-CE3 4.01Å; F238-W283 HydrophobicContact CD1-CZ3 4.41Å; F238-W283 HydrophobicContact CD2-CB 3.92Å; F238-W283 HydrophobicContact CD2-CE3 4.38Å; F238-W283 HydrophobicContact CE1-CE3 4.15Å; F238-W283 HydrophobicContact CE2-CB 4.06Å; F238-W283 HydrophobicContact CE2-CE3 4.5Å; F238-W283 HydrophobicContact CG-CE3 4.13Å; F238-W283 HydrophobicContact CZ-CE3 4.39Å; F238-R284 HydrophobicContact CD2-CG 4.25Å; F238-L287 HydrophobicContact CE2-CD1 3.76Å; F238-L287 HydrophobicContact CE2-CD2 4.29Å; F238-L287 HydrophobicContact CE2-CG 4.1Å; F238-L287 HydrophobicContact CZ-CD1 4.35Å; F238-L287 HydrophobicContact CZ-CD2 4.25Å
239	N	95.3	Very high	96.8	Very high	82 Å²	82	61.5 Å²	61.5	44%	0.439	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.2	-174.6	-73	-15.8	0	0	0	114.2	D236 R237 R280 R284	D236-N239 VanDerWaalsContact O-CG 3.31Å; D236-N239 PolarHBondContact O-ND2 3.22Å; D236-N239 PolarHBondContact O-OD1 3.23Å; R237-N239 VanDerWaalsContact C-N 3.28Å; R237-N239 PolarHBondContact O-N 3.19Å; N239-R280 VanDerWaalsContact O-CD 3.24Å; N239-R280 WeakPolarHBondContact O-CD 3.09Å; N239-R284 PolarHBondContact OD1-NH2 3.21Å
240	D	95.1	Very high	96.8	Very high	155 Å²	155	61 Å²	61	83%	0.829	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.4	-178.8	-54	-54.6	0	0	0	113.7	F238	F238-D240 PolarHBondContact O-N 3.23Å; F238-D240 VanDerWaalsContact O-N 3.12Å
241	T	96.3	Very high	96.8	Very high	36 Å²	36	63.4 Å²	63.4	22%	0.221	32%	0.317	C	S	.	.			trans	-71.8	140.4	179.1	-58.6	0	0	0	0	110.2	F238 F279 R280 W283	F238-T241 WeakPolarHBondContact CB-OG1 3.29Å; F238-T241 VanDerWaalsContact O-CB 3.31Å; F238-T241 WeakPolarHBondContact O-CB 3.45Å; F238-T241 PolarHBondContact O-N 2.91Å; F238-T241 PolarHBondContact O-OG1 3.1Å; T241-F279 HydrophobicContact CG2-CD1 4.03Å; T241-F279 HydrophobicContact CG2-CE1 3.61Å; T241-R280 VanDerWaalsContact O-CD 3.25Å; T241-R280 WeakPolarHBondContact O-CD 3.42Å; T241-R280 WeakPolarHBondContact O-CG 2.92Å; T241-R280 PolarHBondContact O-NH1 3.45Å; T241-W283 HydrophobicContact CG2-CE3 4Å; T241-W283 HydrophobicContact CG2-CH2 4.19Å; T241-W283 HydrophobicContact CG2-CZ3 3.68Å
242	K	96.5	Very high	96.7	Very high	129 Å²	129	66.7 Å²	66.7	56%	0.561	33%	0.333	S	S	*	.			trans	-120.9	157.9	177.2	-63	-176.1	-178.7	177.2	0	110.1	D276 F279	K242-D276 WeakPolarHBondContact CG-OD2 3.44Å; K242-F279 VanDerWaalsContact C-CD1 3.49Å; K242-F279 WeakPolarHBondContact O-CD1 3.48Å; K242-F279 WeakPolarHBondContact O-CE1 3.41Å
243	A	95.2	Very high	96.5	Very high	2 Å²	2	64.2 Å²	64.2	2%	0.017	32%	0.316	C	S	.	.			trans	-58.3	141.2	169	0	0	0	0	0	109.3	R245 D276 F279	A243-R245 PolarHBondContact O-N 3.17Å; A243-R245 PolarHBondContact O-NH1 3.47Å; A243-D276 PolarHBondContact N-OD1 2.82Å; A243-F279 HydrophobicContact CB-CB 3.95Å; A243-F279 HydrophobicContact CB-CD1 4.46Å; A243-F279 HydrophobicContact CB-CD2 4.16Å; A243-F279 HydrophobicContact CB-CG 3.94Å
244	P	95.1	Very high	96.4	Very high	31 Å²	31	67.6 Å²	67.6	20%	0.201	33%	0.33	C	S	.	.			trans	-53	132.2	-179.2	-30.7	39.6	0	0	0	111.9	M51 D246 F249 F279	M51-P244 HydrophobicContact CB-CG 4.36Å; M51-P244 HydrophobicContact SD-CG 4.44Å; P244-D246 WeakPolarHBondContact CB-OD2 3.39Å; P244-D246 PolarHBondContact O-N 3.07Å; P244-F249 WeakPolarHBondContact O-CD2 3.1Å; P244-F279 HydrophobicContact CG-CE2 4.41Å; P244-F279 HydrophobicContact CG-CZ 4.17Å
245	R	96.5	Very high	96.3	Very high	104 Å²	104	68.8 Å²	68.8	39%	0.392	34%	0.339	S	S	.	.			trans	-96.4	49.5	177.3	-58.4	-56.9	-164.6	-122	-7.3	109.9	A243 F249 D276	A243-R245 PolarHBondContact O-N 3.17Å; A243-R245 PolarHBondContact O-NH1 3.47Å; R245-F249 VanDerWaalsContact CZ-CZ 3.41Å; R245-D276 IonicContact CZ-OD1 3.9Å; R245-D276 VanDerWaalsContact CZ-OD1 3.23Å; R245-D276 IonicContact CZ-OD2 3.14Å; R245-D276 IonicContact NH1-OD1 3.8Å; R245-D276 PolarHBondContact NH1-OD1 2.87Å; R245-D276 IonicContact NH2-OD1 2.65Å; R245-D276 PolarHBondContact NH2-OD1 3.37Å; R245-D276 IonicContact NH2-OD2 2.71Å; R245-D276 PolarHBondContact NH2-OD2 2.77Å
246	D	96.3	Very high	96.4	Very high	36 Å²	36	64.1 Å²	64.1	19%	0.193	32%	0.317	C	S	.	.			trans	-59.7	161.6	178.4	-73.5	-46.1	0	0	0	111.3	P244 N248 F249 Y477	P244-D246 WeakPolarHBondContact CB-OD2 3.39Å; P244-D246 PolarHBondContact O-N 3.07Å; D246-N248 PolarHBondContact O-N 3.01Å; D246-F249 WeakPolarHBondContact O-CB 3.41Å; D246-F249 PolarHBondContact O-N 2.71Å; D246-Y477 HydrophobicContact CB-CD1 3.87Å; D246-Y477 HydrophobicContact CB-CE1 3.53Å; D246-Y477 WeakPolarHBondContact OD1-CE1 3.47Å; D246-Y477 PolarHBondContact OD1-OH 3.27Å
247	P	97.8	Very high	96.5	Very high	70 Å²	70	58 Å²	58	46%	0.455	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.4	-178.1	-31.6	39.2	0	0	0	115.8	V251 Y477 L479	P247-V251 VanDerWaalsContact O-CG2 3.27Å; P247-V251 WeakPolarHBondContact O-CG2 3.44Å; P247-Y477 HydrophobicContact CB-CD2 3.95Å; P247-Y477 HydrophobicContact CB-CE2 4.39Å; P247-Y477 HydrophobicContact CB-CG 4.23Å; P247-Y477 VanDerWaalsContact CD-CE2 3.41Å; P247-Y477 VanDerWaalsContact CD-CZ 3.4Å; P247-Y477 HydrophobicContact CG-CD2 3.58Å; P247-Y477 HydrophobicContact CG-CE2 3.52Å; P247-Y477 HydrophobicContact CG-CG 4.17Å; P247-L479 HydrophobicContact CB-CD1 3.94Å
248	N	97.4	Very high	96.3	Very high	6 Å²	6	56 Å²	56	3%	0.032	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.4	174.6	62.1	-2.3	0	0	0	114.1	D246 Q323 F324 Y477 L479	D246-N248 PolarHBondContact O-N 3.01Å; N248-Q323 CarbonylContact O-C 3.58Å; N248-Q323 WeakPolarHBondContact OD1-CG 3.36Å; N248-F324 HydrophobicContact CB-CD1 4.1Å; N248-F324 HydrophobicContact CB-CE1 3.51Å; N248-F324 HydrophobicContact CB-CE2 4.47Å; N248-F324 HydrophobicContact CB-CZ 3.73Å; N248-F324 PolarHBondContact O-N 2.97Å; N248-Y477 PolarHBondContact ND2-O 3.12Å; N248-L479 HydrophobicContact CB-CD2 3.83Å; N248-L479 HydrophobicContact CB-CG 4.46Å
249	F	98.1	Very high	96.2	Very high	22 Å²	22	53.8 Å²	53.8	10%	0.096	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-71.1	128.4	175.3	177.9	-88	0	0	0	111.1	P244 R245 D246 V251 M267 V272 L275 T321	P244-F249 WeakPolarHBondContact O-CD2 3.1Å; R245-F249 VanDerWaalsContact CZ-CZ 3.41Å; D246-F249 WeakPolarHBondContact O-CB 3.41Å; D246-F249 PolarHBondContact O-N 2.71Å; F249-V251 PolarHBondContact O-N 3.46Å; F249-M267 HydrophobicContact CE1-CE 4.01Å; F249-M267 HydrophobicContact CE2-CE 3.91Å; F249-M267 HydrophobicContact CZ-CE 3.57Å; F249-V272 HydrophobicContact CZ-CG1 4.29Å; F249-V272 HydrophobicContact CZ-CG2 4.4Å; F249-L275 HydrophobicContact CE2-CD1 4.46Å; F249-T321 WeakPolarHBondContact CE2-O 3.41Å
250	N	97.4	Very high	96.3	Very high	42 Å²	42	50 Å²	50	23%	0.225	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	36.1	177	-162.3	20.8	0	0	0	113.8	P266 M267 G322 S325	N250-P266 WeakPolarHBondContact OD1-CA 3.44Å; N250-M267 HydrophobicContact CB-CE 3.51Å; N250-M267 WeakPolarHBondContact OD1-CB 3.49Å; N250-M267 WeakPolarHBondContact OD1-CG 3.27Å; N250-M267 PolarHBondContact OD1-N 2.88Å; N250-G322 PolarHBondContact N-O 3.42Å; N250-S325 VanDerWaalsContact C-OG 3.31Å; N250-S325 WeakPolarHBondContact CA-OG 3.03Å; N250-S325 PolarHBondContact OD1-OG 3.16Å
251	V	97.3	Very high	96.3	Very high	57 Å²	57	46.8 Å²	46.8	35%	0.345	22%	0.223	S	C	.	.			trans	-113.2	141.1	179.4	174.3	0	0	0	0	109.7	P247 F249 G253 F324 S325 L479	P247-V251 VanDerWaalsContact O-CG2 3.27Å; P247-V251 WeakPolarHBondContact O-CG2 3.44Å; F249-V251 PolarHBondContact O-N 3.46Å; V251-G253 PolarHBondContact O-N 3.11Å; V251-F324 CarbonylContact O-C 3.59Å; V251-F324 WeakPolarHBondContact O-CA 3.24Å; V251-S325 PolarHBondContact N-OG 3.01Å; V251-L479 HydrophobicContact CG1-CD2 4.41Å
252	H	96.2	Very high	96.2	Very high	70 Å²	70	47.8 Å²	47.8	32%	0.324	23%	0.225	S	C	.	.			trans	-77.1	119.1	-178.4	-170.7	-156.4	0	0	0	110.2	K254 R261 T265	H252-K254 HydrophobicContact CB-CG 4.26Å; H252-K254 WeakPolarHBondContact ND1-CG 3.25Å; H252-K254 PolarHBondContact O-N 2.74Å; H252-R261 PolarHBondContact NE2-O 3.37Å; H252-T265 HydrophobicContact CB-CG2 3.82Å
253	G	94.6	Very high	96.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	20%	0.199	C	C	.	.			trans	-75.1	62.2	178.6	0	0	0	0	0	114.2	V251 D255 K256 R261	V251-G253 PolarHBondContact O-N 3.11Å; G253-D255 VanDerWaalsContact C-N 3.27Å; G253-D255 PolarHBondContact O-N 3.32Å; G253-K256 WeakPolarHBondContact O-CB 3.2Å; G253-K256 PolarHBondContact O-N 3.19Å; G253-R261 WeakPolarHBondContact O-CG 3.42Å
254	K	95.1	Very high	96	Very high	158 Å²	158	47.5 Å²	47.5	69%	0.687	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.3	-169.2	-68.5	178.1	-178.3	178.5	0	115.5	H252 R261	H252-K254 HydrophobicContact CB-CG 4.26Å; H252-K254 WeakPolarHBondContact ND1-CG 3.25Å; H252-K254 PolarHBondContact O-N 2.74Å; K254-R261 WeakPolarHBondContact O-CD 3.31Å
255	D	95.8	Very high	96	Very high	57 Å²	57	48.5 Å²	48.5	31%	0.305	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	20.1	-174.2	64.4	-14.8	0	0	0	113.3	G253 F466 N480 N481	G253-D255 VanDerWaalsContact C-N 3.27Å; G253-D255 PolarHBondContact O-N 3.32Å; D255-F466 WeakPolarHBondContact O-CZ 3.37Å; D255-N480 WeakPolarHBondContact OD2-CA 3.32Å; D255-N481 HydrophobicContact CB-CB 4.24Å; D255-N481 WeakPolarHBondContact O-CB 3.46Å; D255-N481 PolarHBondContact O-ND2 3.08Å; D255-N481 PolarHBondContact OD2-N 2.62Å
256	K	97.4	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-109.2	174.1	-173.6	-55.1	-172.2	-178	-40.7	0	111.8	G253 I260 R261 F324 Y334 F466 E468 Y470 Q478 L479	G253-K256 WeakPolarHBondContact O-CB 3.2Å; G253-K256 PolarHBondContact O-N 3.19Å; K256-I260 HydrophobicContact CB-CB 3.83Å; K256-I260 HydrophobicContact CB-CG1 4.16Å; K256-I260 HydrophobicContact CB-CG2 4.16Å; K256-I260 HydrophobicContact CD-CB 4.31Å; K256-I260 HydrophobicContact CD-CG2 3.72Å; K256-R261 WeakPolarHBondContact O-CD 3.17Å; K256-R261 WeakPolarHBondContact O-CG 3.27Å; K256-R261 PolarHBondContact O-NE 3.19Å; K256-F324 HydrophobicContact CD-CD1 4.11Å; K256-F324 HydrophobicContact CD-CD2 4.25Å; K256-F324 HydrophobicContact CD-CE1 4.24Å; K256-F324 HydrophobicContact CD-CE2 4.36Å; K256-F324 HydrophobicContact CD-CG 4.13Å; K256-F324 HydrophobicContact CD-CZ 4.37Å; K256-Y334 HydrophobicContact CD-CE1 4.48Å; K256-Y334 WeakPolarHBondContact CD-OH 3.26Å; K256-F466 VanDerWaalsContact C-CZ 3.49Å; K256-F466 WeakPolarHBondContact O-CZ 3.3Å; K256-E468 VanDerWaalsContact CA-OE1 3.23Å; K256-E468 WeakPolarHBondContact CA-OE1 3.44Å; K256-E468 WeakPolarHBondContact CB-OE1 3.37Å; K256-Y470 PolarHBondContact NZ-OH 3.46Å; K256-Y470 VanDerWaalsContact NZ-OH 3.1Å; K256-Q478 PolarHBondContact NZ-O 2.97Å; K256-L479 PolarHBondContact NZ-O 3.47Å; K256-L479 VanDerWaalsContact NZ-O 3.13Å
257	H	97.4	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.			trans	-50.8	148.1	172.2	179.4	-112.6	0	0	0	110.9	L259 I260 R261 N440 F460 D462 F466 E468	H257-L259 PolarHBondContact O-N 3.41Å; H257-L259 VanDerWaalsContact O-N 3.08Å; H257-I260 PolarHBondContact O-N 3.47Å; H257-R261 PolarHBondContact O-N 3.4Å; H257-N440 PolarHBondContact NE2-O 3.47Å; H257-F460 HydrophobicContact CB-CD1 4.17Å; H257-F460 HydrophobicContact CB-CD2 4.35Å; H257-F460 HydrophobicContact CB-CE1 3.64Å; H257-F460 HydrophobicContact CB-CE2 3.84Å; H257-F460 HydrophobicContact CB-CG 4.49Å; H257-F460 HydrophobicContact CB-CZ 3.43Å; H257-F460 VanDerWaalsContact CB-CZ 3.43Å; H257-F460 AromaticContact CD2-CD1 3.4Å; H257-F460 WeakPolarHBondContact CD2-CD1 3.34Å; H257-F460 AromaticContact CD2-CE1 3.74Å; H257-F460 AromaticContact CD2-CG 3.69Å; H257-F460 AromaticContact CE1-CD1 3.88Å; H257-F460 AromaticContact CE1-CE1 3.99Å; H257-F460 AromaticContact CG-CD1 3.57Å; H257-F460 AromaticContact CG-CE1 3.37Å; H257-F460 AromaticContact CG-CZ 3.75Å; H257-F460 AromaticContact ND1-CD1 3.87Å; H257-F460 AromaticContact ND1-CE1 3.55Å; H257-F460 AromaticContact NE2-CD1 3.65Å; H257-D462 IonicContact CD2-OD2 3.7Å; H257-D462 PolarHBondContact CD2-OD2 3.1Å; H257-D462 IonicContact NE2-OD2 3.91Å; H257-D462 PolarHBondContact NE2-OD2 3.47Å; H257-F466 HydrophobicContact CB-CD1 4.11Å; H257-F466 HydrophobicContact CB-CE1 4.5Å; H257-F466 VanDerWaalsContact N-CE1 3.25Å; H257-E468 PolarHBondContact N-OE1 2.93Å
258	W	95.4	Very high	96	Very high	72 Å²	72	45 Å²	45	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-57.1	-32.1	-169.6	75.9	-92.2	0	0	0	112.8	I260 R261 Q262 V426 S438 N440	W258-I260 PolarHBondContact O-N 3.48Å; W258-R261 PolarHBondContact O-N 3.3Å; W258-R261 VanDerWaalsContact O-N 3.12Å; W258-Q262 HydrophobicContact CZ3-CG 4.36Å; W258-Q262 PolarHBondContact O-N 3.19Å; W258-V426 HydrophobicContact CH2-CG1 3.85Å; W258-S438 WeakPolarHBondContact CZ2-OG 3.33Å; W258-N440 WeakPolarHBondContact CZ2-OD1 3.24Å; W258-N440 PolarHBondContact NE1-ND2 3.22Å; W258-N440 PolarHBondContact NE1-OD1 2.99Å; W258-N440 VanDerWaalsContact NE1-OD1 3.12Å
259	L	95.1	Very high	96	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-31.6	177	-177	67.3	0	0	0	112.6	H257 Q262 C435 N441	H257-L259 PolarHBondContact O-N 3.41Å; H257-L259 VanDerWaalsContact O-N 3.08Å; L259-Q262 WeakPolarHBondContact O-CG 3.19Å; L259-Q262 PolarHBondContact O-NE2 2.93Å; L259-C435 HydrophobicContact CD1-CB 4.39Å; L259-N441 HydrophobicContact CD2-CB 3.78Å; L259-N441 VanDerWaalsContact CD2-CG 3.44Å; L259-N441 WeakPolarHBondContact CD2-ND2 3.31Å
260	I	96.4	Very high	95.9	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-81.7	-36.3	175.4	-45.3	-61.9	0	0	0	110.2	K256 H257 W258 Q262 A263 F324 L326 Y334	K256-I260 HydrophobicContact CB-CB 3.83Å; K256-I260 HydrophobicContact CB-CG1 4.16Å; K256-I260 HydrophobicContact CB-CG2 4.16Å; K256-I260 HydrophobicContact CD-CB 4.31Å; K256-I260 HydrophobicContact CD-CG2 3.72Å; H257-I260 PolarHBondContact O-N 3.47Å; W258-I260 PolarHBondContact O-N 3.48Å; I260-Q262 VanDerWaalsContact C-N 3.25Å; I260-Q262 PolarHBondContact O-N 3.41Å; I260-A263 WeakPolarHBondContact O-CB 3.46Å; I260-A263 PolarHBondContact O-N 3.25Å; I260-F324 HydrophobicContact CG2-CB 3.58Å; I260-F324 HydrophobicContact CG2-CD2 4.48Å; I260-F324 HydrophobicContact CG2-CG 4.16Å; I260-L326 HydrophobicContact CD1-CD1 3.67Å; I260-L326 HydrophobicContact CD1-CD2 4.4Å; I260-L326 HydrophobicContact CD1-CG 4.38Å; I260-Y334 HydrophobicContact CD1-CE2 4.04Å; I260-Y334 HydrophobicContact CG1-CE2 4.29Å
261	R	95.5	Very high	95.9	Very high	87 Å²	87	51.8 Å²	51.8	33%	0.328	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-27.1	178.6	-72.3	-177.1	-80.1	165.5	-3.9	113.2	H252 G253 K254 K256 H257 W258 A263 E464	H252-R261 PolarHBondContact NE2-O 3.37Å; G253-R261 WeakPolarHBondContact O-CG 3.42Å; K254-R261 WeakPolarHBondContact O-CD 3.31Å; K256-R261 WeakPolarHBondContact O-CD 3.17Å; K256-R261 WeakPolarHBondContact O-CG 3.27Å; K256-R261 PolarHBondContact O-NE 3.19Å; H257-R261 PolarHBondContact O-N 3.4Å; W258-R261 PolarHBondContact O-N 3.3Å; W258-R261 VanDerWaalsContact O-N 3.12Å; R261-A263 VanDerWaalsContact C-N 3.29Å; R261-A263 PolarHBondContact O-N 2.93Å; R261-E464 IonicContact NH2-OE1 3.74Å; R261-E464 IonicContact NH2-OE2 3.63Å; R261-E464 PolarHBondContact NH2-OE2 3.35Å
262	Q	93.1	Very high	95.9	Very high	58 Å²	58	50.2 Å²	50.2	27%	0.271	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.6	179.5	65.7	69.4	41.5	0	0	113.9	W258 L259 I260 K264 C435	W258-Q262 HydrophobicContact CZ3-CG 4.36Å; W258-Q262 PolarHBondContact O-N 3.19Å; L259-Q262 WeakPolarHBondContact O-CG 3.19Å; L259-Q262 PolarHBondContact O-NE2 2.93Å; I260-Q262 VanDerWaalsContact C-N 3.25Å; I260-Q262 PolarHBondContact O-N 3.41Å; Q262-K264 PolarHBondContact O-N 3.1Å; Q262-C435 PolarHBondContact NE2-O 2.85Å; Q262-C435 VanDerWaalsContact NE2-O 3.1Å
263	A	93.9	Very high	96	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	27%	0.27	C	S	.	.	S	Bend	trans	-57.5	125.5	-174.5	0	0	0	0	0	112.2	I260 R261 T265 L326 V434	I260-A263 WeakPolarHBondContact O-CB 3.46Å; I260-A263 PolarHBondContact O-N 3.25Å; R261-A263 VanDerWaalsContact C-N 3.29Å; R261-A263 PolarHBondContact O-N 2.93Å; A263-T265 PolarHBondContact O-N 3.01Å; A263-T265 PolarHBondContact O-OG1 3.18Å; A263-T265 VanDerWaalsContact O-OG1 3.08Å; A263-L326 HydrophobicContact CB-CD2 4.36Å; A263-V434 HydrophobicContact CB-CG1 3.79Å
264	K	93.8	Very high	96.1	Very high	122 Å²	122	56.3 Å²	56.3	53%	0.53	28%	0.283	S	S	.	.			trans	-61.8	112.1	178.3	-177.3	-179.8	178.8	-178.8	0	110	Q262 P266 M267 V434	Q262-K264 PolarHBondContact O-N 3.1Å; K264-P266 CarbonylContact O-C 3.56Å; K264-M267 PolarHBondContact O-N 3.34Å; K264-V434 HydrophobicContact CB-CG2 4.09Å
265	T	95.6	Very high	96.2	Very high	52 Å²	52	48.8 Å²	48.8	32%	0.319	25%	0.251	S	S	.	.	S	Bend	trans	-124.7	130.8	-176.5	-54.7	0	0	0	0	111.6	H252 A263 S325	H252-T265 HydrophobicContact CB-CG2 3.82Å; A263-T265 PolarHBondContact O-N 3.01Å; A263-T265 PolarHBondContact O-OG1 3.18Å; A263-T265 VanDerWaalsContact O-OG1 3.08Å; T265-S325 WeakPolarHBondContact CG2-OG 3.46Å; T265-S325 VanDerWaalsContact OG1-CB 3.25Å; T265-S325 WeakPolarHBondContact OG1-CB 3.42Å; T265-S325 PolarHBondContact OG1-OG 2.85Å
266	P	96.3	Very high	96.3	Very high	94 Å²	94	46.7 Å²	46.7	61%	0.61	24%	0.239	S	C	*	.	S	Bend	cis	-69.3	152.1	-5.1	30.8	-35.1	0	0	0	111.8	N250 K264	N250-P266 WeakPolarHBondContact OD1-CA 3.44Å; K264-P266 CarbonylContact O-C 3.56Å
267	M	97.4	Very high	96.3	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.069	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-54.2	148.5	167.3	-68.1	-173.3	-78.5	0	0	110.5	F249 N250 K264 V272 L275	F249-M267 HydrophobicContact CE1-CE 4.01Å; F249-M267 HydrophobicContact CE2-CE 3.91Å; F249-M267 HydrophobicContact CZ-CE 3.57Å; N250-M267 HydrophobicContact CB-CE 3.51Å; N250-M267 WeakPolarHBondContact OD1-CB 3.49Å; N250-M267 WeakPolarHBondContact OD1-CG 3.27Å; N250-M267 PolarHBondContact OD1-N 2.88Å; K264-M267 PolarHBondContact O-N 3.34Å; M267-V272 HydrophobicContact CB-CG2 3.91Å; M267-V272 HydrophobicContact CE-CG2 4.23Å; M267-L275 HydrophobicContact CE-CD1 4.06Å; M267-L275 HydrophobicContact SD-CD1 3.75Å
268	S	96.9	Very high	96.3	Very high	29 Å²	29	49 Å²	49	20%	0.203	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.2	153.3	173.9	70.9	0	0	0	0	111.2	S270 S271 V272 D432	S268-S270 PolarHBondContact O-N 3.24Å; S268-S270 PolarHBondContact OG-OG 3Å; S268-S271 PolarHBondContact O-N 3.22Å; S268-S271 VanDerWaalsContact O-N 3.12Å; S268-S271 WeakPolarHBondContact OG-CB 3.48Å; S268-S271 PolarHBondContact OG-N 2.83Å; S268-S271 VanDerWaalsContact OG-N 3.08Å; S268-S271 PolarHBondContact OG-OG 2.99Å; S268-V272 WeakPolarHBondContact O-CG2 3.05Å; S268-V272 PolarHBondContact O-N 2.67Å; S268-D432 WeakPolarHBondContact CB-OD2 3.27Å; S268-D432 PolarHBondContact OG-OD2 3.4Å
269	N	97	Very high	96.4	Very high	133 Å²	133	45.7 Å²	45.7	71%	0.711	24%	0.239	S	C	*	.	H	α-helix	trans	-57.7	-36.5	174.9	-75	-16.1	0	0	0	112.1	V272 Q273	N269-V272 PolarHBondContact O-N 3.45Å; N269-Q273 WeakPolarHBondContact O-CB 3.29Å; N269-Q273 VanDerWaalsContact O-CG 3.25Å; N269-Q273 WeakPolarHBondContact O-CG 3.31Å; N269-Q273 PolarHBondContact O-N 3Å
270	S	97	Very high	96.5	Very high	74 Å²	74	47.6 Å²	47.6	52%	0.517	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-42.7	175.9	41.5	0	0	0	0	112.1	S268 Q273 F274	S268-S270 PolarHBondContact O-N 3.24Å; S268-S270 PolarHBondContact OG-OG 3Å; S270-Q273 PolarHBondContact O-N 3.02Å; S270-F274 WeakPolarHBondContact O-CB 3.44Å; S270-F274 PolarHBondContact O-N 3.16Å
271	S	96.8	Very high	96.5	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.035	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-48.7	175.2	-73.5	0	0	0	0	110.6	S268 Q273 F274 L275 P431 D432	S268-S271 PolarHBondContact O-N 3.22Å; S268-S271 VanDerWaalsContact O-N 3.12Å; S268-S271 WeakPolarHBondContact OG-CB 3.48Å; S268-S271 PolarHBondContact OG-N 2.83Å; S268-S271 VanDerWaalsContact OG-N 3.08Å; S268-S271 PolarHBondContact OG-OG 2.99Å; S271-Q273 VanDerWaalsContact C-N 3.32Å; S271-Q273 PolarHBondContact O-N 2.93Å; S271-F274 WeakPolarHBondContact O-CB 3.39Å; S271-F274 PolarHBondContact O-N 2.94Å; S271-F274 VanDerWaalsContact O-N 3.08Å; S271-L275 VanDerWaalsContact O-CG 3.3Å; S271-L275 WeakPolarHBondContact O-CG 3.21Å; S271-L275 PolarHBondContact O-N 3.08Å; S271-P431 VanDerWaalsContact OG-CG 3.3Å; S271-P431 WeakPolarHBondContact OG-CG 3.28Å; S271-D432 PolarHBondContact OG-OD2 3.26Å
272	V	98	Very high	96.6	Very high	23 Å²	23	47.3 Å²	47.3	14%	0.139	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-42.1	176.7	175.1	0	0	0	0	112.4	F249 M267 S268 N269 L275 D276	F249-V272 HydrophobicContact CZ-CG1 4.29Å; F249-V272 HydrophobicContact CZ-CG2 4.4Å; M267-V272 HydrophobicContact CB-CG2 3.91Å; M267-V272 HydrophobicContact CE-CG2 4.23Å; S268-V272 WeakPolarHBondContact O-CG2 3.05Å; S268-V272 PolarHBondContact O-N 2.67Å; N269-V272 PolarHBondContact O-N 3.45Å; V272-L275 PolarHBondContact O-N 2.94Å; V272-D276 PolarHBondContact O-N 3.16Å
273	Q	97.4	Very high	96.8	Very high	134 Å²	134	45.7 Å²	45.7	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-65	-40.5	175.9	-75.9	173.3	1.3	0	0	112.4	N269 S270 S271 D276 D277	N269-Q273 WeakPolarHBondContact O-CB 3.29Å; N269-Q273 VanDerWaalsContact O-CG 3.25Å; N269-Q273 WeakPolarHBondContact O-CG 3.31Å; N269-Q273 PolarHBondContact O-N 3Å; S270-Q273 PolarHBondContact O-N 3.02Å; S271-Q273 VanDerWaalsContact C-N 3.32Å; S271-Q273 PolarHBondContact O-N 2.93Å; Q273-D276 PolarHBondContact O-N 3.15Å; Q273-D277 PolarHBondContact O-N 2.86Å
274	F	97.1	Very high	97.1	Very high	66 Å²	66	46.8 Å²	46.8	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-43.2	174.6	170.5	-103.3	0	0	0	111.5	W228 S270 S271 D276 D277 A278 L328 F430 P431	W228-F274 HydrophobicContact CZ3-CZ 4.48Å; S270-F274 WeakPolarHBondContact O-CB 3.44Å; S270-F274 PolarHBondContact O-N 3.16Å; S271-F274 WeakPolarHBondContact O-CB 3.39Å; S271-F274 PolarHBondContact O-N 2.94Å; S271-F274 VanDerWaalsContact O-N 3.08Å; F274-D276 PolarHBondContact O-N 3.27Å; F274-D277 PolarHBondContact O-N 3.11Å; F274-A278 WeakPolarHBondContact O-CB 3.2Å; F274-A278 PolarHBondContact O-N 2.99Å; F274-L328 HydrophobicContact CD1-CD2 4.13Å; F274-L328 HydrophobicContact CE1-CD2 3.34Å; F274-L328 HydrophobicContact CE1-CG 4.43Å; F274-L328 HydrophobicContact CZ-CD2 4Å; F274-F430 HydrophobicContact CD1-CE1 4.42Å; F274-F430 HydrophobicContact CE1-CD1 4.47Å; F274-F430 AromaticContact CE1-CE1 3.54Å; F274-F430 HydrophobicContact CE1-CE1 3.54Å; F274-F430 HydrophobicContact CE1-CZ 4.2Å; F274-F430 HydrophobicContact CE2-CE1 4.39Å; F274-F430 AromaticContact CZ-CE1 3.55Å; F274-F430 HydrophobicContact CZ-CE1 3.55Å; F274-F430 HydrophobicContact CZ-CZ 4.08Å; F274-P431 HydrophobicContact CD1-CG 4.28Å
275	L	97.1	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-43.6	176.4	-60.6	-169.8	0	0	0	112.1	F249 M267 S271 V272 D277 A278 F279 P327 L328	F249-L275 HydrophobicContact CE2-CD1 4.46Å; M267-L275 HydrophobicContact CE-CD1 4.06Å; M267-L275 HydrophobicContact SD-CD1 3.75Å; S271-L275 VanDerWaalsContact O-CG 3.3Å; S271-L275 WeakPolarHBondContact O-CG 3.21Å; S271-L275 PolarHBondContact O-N 3.08Å; V272-L275 PolarHBondContact O-N 2.94Å; L275-D277 VanDerWaalsContact C-N 3.27Å; L275-D277 PolarHBondContact O-N 2.96Å; L275-A278 PolarHBondContact O-N 3.4Å; L275-F279 VanDerWaalsContact O-CB 3.23Å; L275-F279 WeakPolarHBondContact O-CB 3.41Å; L275-F279 PolarHBondContact O-N 2.74Å; L275-P327 VanDerWaalsContact CD1-O 3.27Å; L275-P327 WeakPolarHBondContact CD1-O 3.2Å; L275-P327 HydrophobicContact CD2-CB 4.07Å; L275-P327 WeakPolarHBondContact CD2-O 3.38Å; L275-L328 HydrophobicContact CD2-CB 4.19Å; L275-L328 HydrophobicContact CD2-CD2 3.62Å; L275-L328 HydrophobicContact CD2-CG 4.26Å
276	D	97.7	Very high	97.4	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-37.5	176.4	-73	-14.1	0	0	0	111.7	K242 A243 R245 V272 Q273 F274 R280	K242-D276 WeakPolarHBondContact CG-OD2 3.44Å; A243-D276 PolarHBondContact N-OD1 2.82Å; R245-D276 IonicContact CZ-OD1 3.9Å; R245-D276 VanDerWaalsContact CZ-OD1 3.23Å; R245-D276 IonicContact CZ-OD2 3.14Å; R245-D276 IonicContact NH1-OD1 3.8Å; R245-D276 PolarHBondContact NH1-OD1 2.87Å; R245-D276 IonicContact NH2-OD1 2.65Å; R245-D276 PolarHBondContact NH2-OD1 3.37Å; R245-D276 IonicContact NH2-OD2 2.71Å; R245-D276 PolarHBondContact NH2-OD2 2.77Å; V272-D276 PolarHBondContact O-N 3.16Å; Q273-D276 PolarHBondContact O-N 3.15Å; F274-D276 PolarHBondContact O-N 3.27Å; D276-R280 WeakPolarHBondContact O-CG 3.48Å; D276-R280 PolarHBondContact O-N 3.38Å; D276-R280 VanDerWaalsContact O-N 3.09Å; D276-R280 PolarHBondContact O-NH1 2.75Å
277	D	97.3	Very high	97.6	Very high	46 Å²	46	34.6 Å²	34.6	25%	0.246	18%	0.176	C	C	.	.	H	α-helix	trans	-68.6	-46.6	175.8	-173.6	63.8	0	0	0	112.9	Q273 F274 L275 F279 R280 K281	Q273-D277 PolarHBondContact O-N 2.86Å; F274-D277 PolarHBondContact O-N 3.11Å; L275-D277 VanDerWaalsContact C-N 3.27Å; L275-D277 PolarHBondContact O-N 2.96Å; D277-F279 VanDerWaalsContact C-N 3.3Å; D277-F279 PolarHBondContact O-N 3.4Å; D277-R280 VanDerWaalsContact CA-NH2 3.26Å; D277-R280 PolarHBondContact O-N 3.06Å; D277-R280 IonicContact OD1-NH2 3.54Å; D277-K281 WeakPolarHBondContact O-CB 3.48Å; D277-K281 WeakPolarHBondContact O-CG 3.46Å; D277-K281 PolarHBondContact O-N 3.14Å; D277-K281 IonicContact OD1-NZ 3.41Å; D277-K281 WeakPolarHBondContact OD2-CD 3.26Å; D277-K281 WeakPolarHBondContact OD2-CE 3.48Å; D277-K281 IonicContact OD2-NZ 3.76Å; D277-K281 PolarHBondContact OD2-NZ 2.82Å
278	A	96.9	Very high	97.6	Very high	1 Å²	1	34 Å²	34	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-45.4	174.2	0	0	0	0	0	111	W228 F274 L275 R280 K281 R282 L328	W228-A278 HydrophobicContact CE3-CB 4.11Å; W228-A278 HydrophobicContact CH2-CB 3.8Å; W228-A278 HydrophobicContact CZ2-CB 4.35Å; W228-A278 HydrophobicContact CZ3-CB 3.65Å; F274-A278 WeakPolarHBondContact O-CB 3.2Å; F274-A278 PolarHBondContact O-N 2.99Å; L275-A278 PolarHBondContact O-N 3.4Å; A278-R280 PolarHBondContact O-N 2.85Å; A278-K281 PolarHBondContact O-N 3.06Å; A278-R282 WeakPolarHBondContact O-CB 3.35Å; A278-R282 VanDerWaalsContact O-CG 3.26Å; A278-R282 WeakPolarHBondContact O-CG 3.18Å; A278-R282 PolarHBondContact O-N 2.88Å; A278-L328 HydrophobicContact CB-CD2 4.09Å
279	F	97.4	Very high	97.7	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-48.3	178	-176.5	-101.6	0	0	0	112.7	M51 T241 K242 A243 P244 L275 D277 K281 R282 W283	M51-F279 HydrophobicContact CB-CE2 3.95Å; M51-F279 VanDerWaalsContact O-CE2 3.26Å; M51-F279 WeakPolarHBondContact O-CE2 3.47Å; M51-F279 VanDerWaalsContact O-CZ 3.26Å; M51-F279 WeakPolarHBondContact O-CZ 3.41Å; T241-F279 HydrophobicContact CG2-CD1 4.03Å; T241-F279 HydrophobicContact CG2-CE1 3.61Å; K242-F279 VanDerWaalsContact C-CD1 3.49Å; K242-F279 WeakPolarHBondContact O-CD1 3.48Å; K242-F279 WeakPolarHBondContact O-CE1 3.41Å; A243-F279 HydrophobicContact CB-CB 3.95Å; A243-F279 HydrophobicContact CB-CD1 4.46Å; A243-F279 HydrophobicContact CB-CD2 4.16Å; A243-F279 HydrophobicContact CB-CG 3.94Å; P244-F279 HydrophobicContact CG-CE2 4.41Å; P244-F279 HydrophobicContact CG-CZ 4.17Å; L275-F279 VanDerWaalsContact O-CB 3.23Å; L275-F279 WeakPolarHBondContact O-CB 3.41Å; L275-F279 PolarHBondContact O-N 2.74Å; D277-F279 VanDerWaalsContact C-N 3.3Å; D277-F279 PolarHBondContact O-N 3.4Å; F279-K281 PolarHBondContact O-N 3.45Å; F279-R282 WeakPolarHBondContact O-CB 3.36Å; F279-R282 PolarHBondContact O-N 3.21Å; F279-W283 HydrophobicContact CE1-CD2 4.02Å; F279-W283 AromaticContact CE1-CE2 3.61Å; F279-W283 HydrophobicContact CE1-CE3 4.42Å; F279-W283 HydrophobicContact CE1-CH2 4.07Å; F279-W283 AromaticContact CE1-CZ2 3.67Å; F279-W283 HydrophobicContact CE1-CZ2 3.67Å; F279-W283 HydrophobicContact CE1-CZ3 4.44Å; F279-W283 AromaticContact CE1-NE1 3.94Å; F279-W283 AromaticContact CE2-CE2 3.98Å; F279-W283 HydrophobicContact CE2-CZ2 4.23Å; F279-W283 AromaticContact CE2-NE1 3.55Å; F279-W283 HydrophobicContact CZ-CD2 4.11Å; F279-W283 AromaticContact CZ-CE2 3.25Å; F279-W283 HydrophobicContact CZ-CH2 4.03Å; F279-W283 AromaticContact CZ-CZ2 3.23Å; F279-W283 HydrophobicContact CZ-CZ2 3.23Å; F279-W283 AromaticContact CZ-NE1 3.33Å; F279-W283 VanDerWaalsContact CZ-NE1 3.33Å; F279-W283 PolarHBondContact O-N 2.93Å; F279-W283 VanDerWaalsContact O-N 3.1Å
280	R	97.3	Very high	97.8	Very high	41 Å²	41	26.3 Å²	26.3	16%	0.155	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-46.7	175.1	-72.6	-174.3	-63.9	-87.8	1	111.7	F238 N239 T241 D276 D277 A278 R282 W283 R284	F238-R280 WeakPolarHBondContact O-CD 3.09Å; F238-R280 VanDerWaalsContact O-CG 3.26Å; F238-R280 WeakPolarHBondContact O-CG 3.46Å; N239-R280 VanDerWaalsContact O-CD 3.24Å; N239-R280 WeakPolarHBondContact O-CD 3.09Å; T241-R280 VanDerWaalsContact O-CD 3.25Å; T241-R280 WeakPolarHBondContact O-CD 3.42Å; T241-R280 WeakPolarHBondContact O-CG 2.92Å; T241-R280 PolarHBondContact O-NH1 3.45Å; D276-R280 WeakPolarHBondContact O-CG 3.48Å; D276-R280 PolarHBondContact O-N 3.38Å; D276-R280 VanDerWaalsContact O-N 3.09Å; D276-R280 PolarHBondContact O-NH1 2.75Å; D277-R280 VanDerWaalsContact CA-NH2 3.26Å; D277-R280 PolarHBondContact O-N 3.06Å; D277-R280 IonicContact OD1-NH2 3.54Å; A278-R280 PolarHBondContact O-N 2.85Å; R280-R282 PolarHBondContact O-N 3.06Å; R280-W283 PolarHBondContact O-N 2.88Å; R280-R284 VanDerWaalsContact O-CG 3.27Å; R280-R284 WeakPolarHBondContact O-CG 3.45Å; R280-R284 PolarHBondContact O-N 2.62Å
281	K	97.6	Very high	97.9	Very high	78 Å²	78	23.9 Å²	23.9	34%	0.339	11%	0.111	S	C	.	.	H	α-helix	trans	-62.8	-41.1	-179	-72.1	173.8	174.1	167	0	111.9	W228 D277 A278 F279 W283 R284 T285	W228-K281 HydrophobicContact CB-CB 3.58Å; W228-K281 HydrophobicContact CG-CB 4.39Å; D277-K281 WeakPolarHBondContact O-CB 3.48Å; D277-K281 WeakPolarHBondContact O-CG 3.46Å; D277-K281 PolarHBondContact O-N 3.14Å; D277-K281 IonicContact OD1-NZ 3.41Å; D277-K281 WeakPolarHBondContact OD2-CD 3.26Å; D277-K281 WeakPolarHBondContact OD2-CE 3.48Å; D277-K281 IonicContact OD2-NZ 3.76Å; D277-K281 PolarHBondContact OD2-NZ 2.82Å; A278-K281 PolarHBondContact O-N 3.06Å; F279-K281 PolarHBondContact O-N 3.45Å; K281-W283 PolarHBondContact O-N 2.72Å; K281-R284 PolarHBondContact O-N 2.92Å; K281-T285 WeakPolarHBondContact O-CG2 3.45Å; K281-T285 PolarHBondContact O-N 3.39Å
282	R	97.4	Very high	98	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.019	11%	0.109	C	C	.	.	H	α-helix	trans	-53.9	-50.4	170.5	-74.9	168	59.6	87.1	6.9	111.5	D46 D48 P224 W228 A278 F279 R280 R284 T285 L286 Y319	D46-R282 PolarHBondContact O-NH2 2.84Å; D48-R282 IonicContact OD2-NH2 3.86Å; D48-R282 PolarHBondContact OD2-NH2 3.31Å; P224-R282 HydrophobicContact CB-CB 3.96Å; P224-R282 HydrophobicContact CB-CG 4.3Å; W228-R282 HydrophobicContact CD2-CG 4.26Å; W228-R282 HydrophobicContact CG-CG 3.94Å; W228-R282 VanDerWaalsContact NE1-CG 3.26Å; A278-R282 WeakPolarHBondContact O-CB 3.35Å; A278-R282 VanDerWaalsContact O-CG 3.26Å; A278-R282 WeakPolarHBondContact O-CG 3.18Å; A278-R282 PolarHBondContact O-N 2.88Å; F279-R282 WeakPolarHBondContact O-CB 3.36Å; F279-R282 PolarHBondContact O-N 3.21Å; R280-R282 PolarHBondContact O-N 3.06Å; R282-R284 VanDerWaalsContact C-N 3.3Å; R282-R284 PolarHBondContact O-N 3.38Å; R282-T285 PolarHBondContact O-N 2.48Å; R282-T285 PolarHBondContact O-OG1 2.9Å; R282-L286 PolarHBondContact O-N 2.91Å; R282-Y319 VanDerWaalsContact CZ-CG 3.42Å
283	W	98	Very high	98	Very high	24 Å²	24	22.6 Å²	22.6	9%	0.091	10%	0.103	C	C	.	.	H	α-helix	trans	-64.4	-32.3	178.7	-81.5	22.9	0	0	0	113.7	G52 N55 P56 F238 T241 F279 R280 K281 L286	G52-W283 WeakPolarHBondContact O-CZ2 3.46Å; N55-W283 HydrophobicContact CB-CH2 3.64Å; N55-W283 HydrophobicContact CB-CZ2 3.87Å; N55-W283 HydrophobicContact CB-CZ3 4.11Å; N55-W283 WeakPolarHBondContact ND2-CH2 3.47Å; P56-W283 HydrophobicContact CB-CB 4.44Å; P56-W283 HydrophobicContact CG-CB 4.19Å; P56-W283 HydrophobicContact CG-CD2 4.18Å; P56-W283 HydrophobicContact CG-CG 3.95Å; F238-W283 HydrophobicContact CD1-CE3 4.01Å; F238-W283 HydrophobicContact CD1-CZ3 4.41Å; F238-W283 HydrophobicContact CD2-CB 3.92Å; F238-W283 HydrophobicContact CD2-CE3 4.38Å; F238-W283 HydrophobicContact CE1-CE3 4.15Å; F238-W283 HydrophobicContact CE2-CB 4.06Å; F238-W283 HydrophobicContact CE2-CE3 4.5Å; F238-W283 HydrophobicContact CG-CE3 4.13Å; F238-W283 HydrophobicContact CZ-CE3 4.39Å; T241-W283 HydrophobicContact CG2-CE3 4Å; T241-W283 HydrophobicContact CG2-CH2 4.19Å; T241-W283 HydrophobicContact CG2-CZ3 3.68Å; F279-W283 HydrophobicContact CE1-CD2 4.02Å; F279-W283 AromaticContact CE1-CE2 3.61Å; F279-W283 HydrophobicContact CE1-CE3 4.42Å; F279-W283 HydrophobicContact CE1-CH2 4.07Å; F279-W283 AromaticContact CE1-CZ2 3.67Å; F279-W283 HydrophobicContact CE1-CZ2 3.67Å; F279-W283 HydrophobicContact CE1-CZ3 4.44Å; F279-W283 AromaticContact CE1-NE1 3.94Å; F279-W283 AromaticContact CE2-CE2 3.98Å; F279-W283 HydrophobicContact CE2-CZ2 4.23Å; F279-W283 AromaticContact CE2-NE1 3.55Å; F279-W283 HydrophobicContact CZ-CD2 4.11Å; F279-W283 AromaticContact CZ-CE2 3.25Å; F279-W283 HydrophobicContact CZ-CH2 4.03Å; F279-W283 AromaticContact CZ-CZ2 3.23Å; F279-W283 HydrophobicContact CZ-CZ2 3.23Å; F279-W283 AromaticContact CZ-NE1 3.33Å; F279-W283 VanDerWaalsContact CZ-NE1 3.33Å; F279-W283 PolarHBondContact O-N 2.93Å; F279-W283 VanDerWaalsContact O-N 3.1Å; R280-W283 PolarHBondContact O-N 2.88Å; K281-W283 PolarHBondContact O-N 2.72Å; W283-L286 WeakPolarHBondContact O-CB 3.19Å; W283-L286 PolarHBondContact O-N 3.06Å
284	R	98.5	Very high	98.1	Very high	25 Å²	25	18.4 Å²	18.4	9%	0.094	8%	0.083	C	C	.	.	H	α-helix	trans	-68.1	-36.7	177.3	-66.8	167.2	-174.7	172.9	-4.7	112.3	A230 Y234 Q235 R237 F238 N239 R280 K281 R282 L286 L287	A230-R284 HydrophobicContact CB-CB 3.48Å; A230-R284 VanDerWaalsContact CB-CB 3.48Å; Y234-R284 WeakPolarHBondContact O-CD 3.43Å; Y234-R284 VanDerWaalsContact O-CG 3.26Å; Y234-R284 WeakPolarHBondContact O-CG 3.48Å; Q235-R284 WeakPolarHBondContact O-CD 3.49Å; Q235-R284 PolarHBondContact O-NE 3.32Å; Q235-R284 VanDerWaalsContact O-NE 3.1Å; Q235-R284 PolarHBondContact O-NH1 3.26Å; Q235-R284 PolarHBondContact O-NH2 2.99Å; R237-R284 HydrophobicContact CB-CG 4.34Å; R237-R284 VanDerWaalsContact O-CZ 3.25Å; R237-R284 PolarHBondContact O-NE 2.81Å; R237-R284 PolarHBondContact O-NH2 3.45Å; F238-R284 HydrophobicContact CD2-CG 4.25Å; N239-R284 PolarHBondContact OD1-NH2 3.21Å; R280-R284 VanDerWaalsContact O-CG 3.27Å; R280-R284 WeakPolarHBondContact O-CG 3.45Å; R280-R284 PolarHBondContact O-N 2.62Å; K281-R284 PolarHBondContact O-N 2.92Å; R282-R284 VanDerWaalsContact C-N 3.3Å; R282-R284 PolarHBondContact O-N 3.38Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-L286 PolarHBondContact O-N 2.86Å; R284-L287 PolarHBondContact O-N 2.83Å
285	T	98.5	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.2	-29.7	177.2	66.3	0	0	0	0	112.3	Y171 W228 A230 K281 R282 L287 S288	Y171-T285 HydrophobicContact CE1-CG2 3.74Å; Y171-T285 PolarHBondContact OH-OG1 3.43Å; W228-T285 VanDerWaalsContact C-CG2 3.44Å; W228-T285 HydrophobicContact CB-CG2 4.49Å; A230-T285 HydrophobicContact CB-CG2 4.34Å; K281-T285 WeakPolarHBondContact O-CG2 3.45Å; K281-T285 PolarHBondContact O-N 3.39Å; R282-T285 PolarHBondContact O-N 2.48Å; R282-T285 PolarHBondContact O-OG1 2.9Å; T285-L287 VanDerWaalsContact C-N 3.27Å; T285-L287 PolarHBondContact O-N 2.94Å; T285-S288 PolarHBondContact O-N 3.15Å
286	L	98.6	Very high	98.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-26.6	175.3	-74.1	173.2	0	0	0	113.9	L47 P56 L57 P224 R282 W283 R284 S288 V289 D290	L47-L286 HydrophobicContact CD1-CD1 3.56Å; L47-L286 HydrophobicContact CD1-CD2 4.02Å; L47-L286 HydrophobicContact CD1-CG 4.43Å; L47-L286 HydrophobicContact CD2-CD2 4.42Å; P56-L286 HydrophobicContact CB-CB 4.21Å; P56-L286 HydrophobicContact CG-CB 3.83Å; P56-L286 HydrophobicContact CG-CD1 3.58Å; P56-L286 HydrophobicContact CG-CG 4.36Å; L57-L286 HydrophobicContact CD1-CD2 4.38Å; L57-L286 HydrophobicContact CD2-CB 3.96Å; L57-L286 HydrophobicContact CD2-CD2 4.29Å; L57-L286 VanDerWaalsContact CD2-O 3.28Å; L57-L286 WeakPolarHBondContact CD2-O 3.33Å; L57-L286 HydrophobicContact CG-CB 4.43Å; P224-L286 HydrophobicContact CB-CD1 4.32Å; P224-L286 HydrophobicContact CB-CD2 4.26Å; P224-L286 HydrophobicContact CB-CG 4.01Å; P224-L286 HydrophobicContact CG-CD1 4.32Å; P224-L286 HydrophobicContact CG-CD2 4.21Å; P224-L286 HydrophobicContact CG-CG 4.31Å; R282-L286 PolarHBondContact O-N 2.91Å; W283-L286 WeakPolarHBondContact O-CB 3.19Å; W283-L286 PolarHBondContact O-N 3.06Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-L286 PolarHBondContact O-N 2.86Å; L286-S288 VanDerWaalsContact C-N 3.26Å; L286-S288 PolarHBondContact O-N 2.99Å; L286-V289 HydrophobicContact CD2-CG2 4.39Å; L286-V289 WeakPolarHBondContact O-CA 3.42Å; L286-V289 WeakPolarHBondContact O-CB 3.33Å; L286-V289 PolarHBondContact O-N 2.99Å; L286-D290 PolarHBondContact O-N 2.77Å
287	L	98.8	Very high	98.3	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.063	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-34.4	178.5	-68	173.9	0	0	0	112.2	P56 Y234 R237 F238 R284 T285 V289 D290 D291	P56-L287 HydrophobicContact CB-CD2 4.2Å; Y234-L287 HydrophobicContact CD1-CB 3.88Å; Y234-L287 HydrophobicContact CD1-CD1 3.48Å; Y234-L287 VanDerWaalsContact CD1-CD1 3.48Å; Y234-L287 HydrophobicContact CD1-CG 4.31Å; Y234-L287 HydrophobicContact CD2-CB 3.5Å; Y234-L287 VanDerWaalsContact CD2-CB 3.5Å; Y234-L287 HydrophobicContact CD2-CD1 4.41Å; Y234-L287 HydrophobicContact CE1-CB 3.94Å; Y234-L287 HydrophobicContact CE1-CD1 4.06Å; Y234-L287 HydrophobicContact CE2-CB 3.57Å; Y234-L287 HydrophobicContact CG-CB 3.67Å; Y234-L287 HydrophobicContact CG-CD1 3.69Å; Y234-L287 HydrophobicContact CG-CG 4.34Å; R237-L287 HydrophobicContact CB-CD1 3.96Å; R237-L287 HydrophobicContact CG-CD1 3.8Å; F238-L287 HydrophobicContact CE2-CD1 3.76Å; F238-L287 HydrophobicContact CE2-CD2 4.29Å; F238-L287 HydrophobicContact CE2-CG 4.1Å; F238-L287 HydrophobicContact CZ-CD1 4.35Å; F238-L287 HydrophobicContact CZ-CD2 4.25Å; R284-L287 PolarHBondContact O-N 2.83Å; T285-L287 VanDerWaalsContact C-N 3.27Å; T285-L287 PolarHBondContact O-N 2.94Å; L287-V289 VanDerWaalsContact C-N 3.34Å; L287-D290 WeakPolarHBondContact O-CB 3.25Å; L287-D290 PolarHBondContact O-N 2.92Å; L287-D291 PolarHBondContact O-N 2.98Å; L287-D291 VanDerWaalsContact O-N 3.09Å
288	S	98.8	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-71.6	-28.7	172.9	-63.4	0	0	0	0	112.7	Y193 T285 L286 L292	Y193-S288 WeakPolarHBondContact CE1-OG 3.03Å; T285-S288 PolarHBondContact O-N 3.15Å; L286-S288 VanDerWaalsContact C-N 3.26Å; L286-S288 PolarHBondContact O-N 2.99Å; S288-L292 WeakPolarHBondContact O-CB 3.49Å; S288-L292 PolarHBondContact O-N 3.49Å
289	V	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-40.6	171.2	-177.6	0	0	0	0	110	L57 T195 T221 A223 L286 L287 D291 L292 V293 F313	L57-V289 HydrophobicContact CD2-CB 4.41Å; T195-V289 HydrophobicContact CG2-CG2 4.33Å; T221-V289 HydrophobicContact CG2-CG1 4.49Å; T221-V289 HydrophobicContact CG2-CG2 4.3Å; A223-V289 HydrophobicContact CB-CG2 3.7Å; L286-V289 HydrophobicContact CD2-CG2 4.39Å; L286-V289 WeakPolarHBondContact O-CA 3.42Å; L286-V289 WeakPolarHBondContact O-CB 3.33Å; L286-V289 PolarHBondContact O-N 2.99Å; L287-V289 VanDerWaalsContact C-N 3.34Å; V289-D291 VanDerWaalsContact C-N 3.31Å; V289-D291 PolarHBondContact O-N 3.3Å; V289-L292 WeakPolarHBondContact O-CB 3.47Å; V289-L292 PolarHBondContact O-N 2.95Å; V289-L292 VanDerWaalsContact O-N 3.15Å; V289-V293 WeakPolarHBondContact O-CG2 3.24Å; V289-V293 PolarHBondContact O-N 2.66Å; V289-F313 HydrophobicContact CG1-CE2 3.91Å; V289-F313 HydrophobicContact CG1-CZ 4.43Å
290	D	98.9	Very high	98.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-40.1	176.5	-150.3	35.9	0	0	0	111.8	L57 T58 K59 T60 L286 L287 E294	L57-D290 VanDerWaalsContact CA-OD1 3.31Å; L57-D290 WeakPolarHBondContact CA-OD1 3.39Å; L57-D290 HydrophobicContact CD2-CB 3.83Å; T58-D290 PolarHBondContact N-OD2 3.01Å; T58-D290 PolarHBondContact OG1-OD2 3.34Å; K59-D290 WeakPolarHBondContact CB-OD1 3.28Å; K59-D290 WeakPolarHBondContact CB-OD2 3.46Å; K59-D290 WeakPolarHBondContact CG-OD2 3.37Å; K59-D290 PolarHBondContact N-OD1 3.37Å; K59-D290 VanDerWaalsContact N-OD1 3.14Å; K59-D290 PolarHBondContact N-OD2 3.16Å; T60-D290 WeakPolarHBondContact CB-OD1 3.46Å; T60-D290 PolarHBondContact N-OD1 2.91Å; T60-D290 PolarHBondContact OG1-OD1 3.03Å; L286-D290 PolarHBondContact O-N 2.77Å; L287-D290 WeakPolarHBondContact O-CB 3.25Å; L287-D290 PolarHBondContact O-N 2.92Å; D290-E294 PolarHBondContact O-N 3.11Å; D290-E294 VanDerWaalsContact O-N 3.13Å
291	D	98.9	Very high	98.6	Very high	23 Å²	23	26.9 Å²	26.9	12%	0.123	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-42.2	172.8	-69.5	-23.5	0	0	0	112.7	K59 Y234 L287 V289 V293 E294 K295	K59-D291 IonicContact NZ-OD1 3.65Å; K59-D291 PolarHBondContact NZ-OD1 2.84Å; Y234-D291 WeakPolarHBondContact CE2-OD2 3.23Å; Y234-D291 VanDerWaalsContact OH-CG 3.23Å; Y234-D291 PolarHBondContact OH-OD1 3.21Å; Y234-D291 PolarHBondContact OH-OD2 3.31Å; L287-D291 PolarHBondContact O-N 2.98Å; L287-D291 VanDerWaalsContact O-N 3.09Å; V289-D291 VanDerWaalsContact C-N 3.31Å; V289-D291 PolarHBondContact O-N 3.3Å; D291-V293 VanDerWaalsContact C-N 3.34Å; D291-E294 PolarHBondContact O-N 2.96Å; D291-K295 WeakPolarHBondContact O-CB 3.37Å; D291-K295 VanDerWaalsContact O-CG 3.3Å; D291-K295 WeakPolarHBondContact O-CG 3.23Å; D291-K295 PolarHBondContact O-N 3.13Å
292	L	98.9	Very high	98.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-46.1	177.4	178.9	158.1	0	0	0	110.5	I42 T195 L198 A199 V219 T221 S288 V289 E294 K295 I296	I42-L292 HydrophobicContact CD1-CD2 4.4Å; I42-L292 HydrophobicContact CG2-CD2 4.49Å; T195-L292 HydrophobicContact CG2-CD1 4.19Å; L198-L292 HydrophobicContact CB-CD1 4.28Å; A199-L292 HydrophobicContact CB-CB 4.08Å; A199-L292 HydrophobicContact CB-CD1 3.86Å; A199-L292 HydrophobicContact CB-CG 3.77Å; V219-L292 HydrophobicContact CG1-CD1 3.95Å; V219-L292 HydrophobicContact CG1-CD2 4.14Å; T221-L292 HydrophobicContact CG2-CD1 3.97Å; S288-L292 WeakPolarHBondContact O-CB 3.49Å; S288-L292 PolarHBondContact O-N 3.49Å; V289-L292 WeakPolarHBondContact O-CB 3.47Å; V289-L292 PolarHBondContact O-N 2.95Å; V289-L292 VanDerWaalsContact O-N 3.15Å; L292-E294 PolarHBondContact O-N 3.2Å; L292-K295 PolarHBondContact O-N 3.49Å; L292-I296 HydrophobicContact CD2-CD1 3.51Å; L292-I296 HydrophobicContact CD2-CG1 4.36Å; L292-I296 HydrophobicContact CG-CD1 4.35Å; L292-I296 WeakPolarHBondContact O-CG1 3.48Å; L292-I296 PolarHBondContact O-N 2.92Å
293	V	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-49.8	176.4	171.3	0	0	0	0	110.3	I42 T60 I64 V289 D291 K295 I296 V297 F313	I42-V293 HydrophobicContact CD1-CB 4.37Å; I42-V293 HydrophobicContact CD1-CG2 3.71Å; I42-V293 HydrophobicContact CG2-CG2 4.24Å; T60-V293 HydrophobicContact CG2-CG1 4.2Å; T60-V293 HydrophobicContact CG2-CG2 4.19Å; I64-V293 HydrophobicContact CD1-CG1 3.75Å; I64-V293 HydrophobicContact CG1-CG1 4.27Å; V289-V293 WeakPolarHBondContact O-CG2 3.24Å; V289-V293 PolarHBondContact O-N 2.66Å; D291-V293 VanDerWaalsContact C-N 3.34Å; V293-K295 VanDerWaalsContact C-N 3.35Å; V293-K295 PolarHBondContact O-N 2.91Å; V293-I296 PolarHBondContact O-N 2.88Å; V293-V297 HydrophobicContact CG1-CG2 4.32Å; V293-V297 WeakPolarHBondContact O-CG2 3.38Å; V293-V297 PolarHBondContact O-N 3.21Å; V293-F313 HydrophobicContact CG2-CD2 4.02Å; V293-F313 HydrophobicContact CG2-CE2 4.17Å
294	E	98.9	Very high	98.4	Very high	45 Å²	45	33.7 Å²	33.7	21%	0.21	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-44.9	178.6	178.9	178.7	-139.7	0	0	112.3	K59 L63 D290 D291 L292 I296 V297 K298	K59-E294 HydrophobicContact CB-CB 4.39Å; K59-E294 HydrophobicContact CD-CB 3.96Å; K59-E294 HydrophobicContact CD-CG 4.41Å; K59-E294 WeakPolarHBondContact CD-OE2 3.35Å; K59-E294 WeakPolarHBondContact CE-OE2 3.49Å; K59-E294 IonicContact NZ-OE2 3.06Å; K59-E294 PolarHBondContact NZ-OE2 3.35Å; L63-E294 HydrophobicContact CD1-CB 3.86Å; L63-E294 HydrophobicContact CD1-CG 4Å; D290-E294 PolarHBondContact O-N 3.11Å; D290-E294 VanDerWaalsContact O-N 3.13Å; D291-E294 PolarHBondContact O-N 2.96Å; L292-E294 PolarHBondContact O-N 3.2Å; E294-I296 PolarHBondContact O-N 3.15Å; E294-V297 PolarHBondContact O-N 3.29Å; E294-K298 HydrophobicContact CG-CD 3.9Å; E294-K298 HydrophobicContact CG-CG 4.34Å; E294-K298 WeakPolarHBondContact O-CB 3.26Å; E294-K298 WeakPolarHBondContact O-CG 3.23Å; E294-K298 PolarHBondContact O-N 3.47Å; E294-K298 VanDerWaalsContact OE1-CE 3.24Å; E294-K298 WeakPolarHBondContact OE1-CE 3.34Å; E294-K298 IonicContact OE1-NZ 3.85Å; E294-K298 PolarHBondContact OE1-NZ 3.03Å; E294-K298 IonicContact OE2-NZ 2.76Å
295	K	98.9	Very high	98.4	Very high	73 Å²	73	33.7 Å²	33.7	32%	0.317	18%	0.179	S	C	.	.	H	α-helix	trans	-60.4	-45.7	178.3	-75.8	171	-178.2	174.6	0	111.7	A199 L203 D291 L292 V293 K299	A199-K295 HydrophobicContact CB-CD 4.34Å; L203-K295 HydrophobicContact CD1-CB 4.26Å; L203-K295 HydrophobicContact CD1-CD 4.45Å; L203-K295 HydrophobicContact CD2-CB 4.31Å; D291-K295 WeakPolarHBondContact O-CB 3.37Å; D291-K295 VanDerWaalsContact O-CG 3.3Å; D291-K295 WeakPolarHBondContact O-CG 3.23Å; D291-K295 PolarHBondContact O-N 3.13Å; L292-K295 PolarHBondContact O-N 3.49Å; V293-K295 VanDerWaalsContact C-N 3.35Å; V293-K295 PolarHBondContact O-N 2.91Å; K295-K299 VanDerWaalsContact O-CB 3.29Å; K295-K299 WeakPolarHBondContact O-CB 3.38Å; K295-K299 PolarHBondContact O-N 3.21Å
296	I	98.9	Very high	98.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-49.9	178.5	-69.9	176.3	0	0	0	110.6	V40 I42 L206 M217 V219 L292 V293 E294 K298 K299 L300	V40-I296 HydrophobicContact CG1-CG2 4.31Å; I42-I296 HydrophobicContact CD1-CD1 4.24Å; L206-I296 HydrophobicContact CD1-CG2 4.4Å; M217-I296 HydrophobicContact SD-CD1 4.01Å; M217-I296 HydrophobicContact SD-CG2 4.43Å; V219-I296 HydrophobicContact CG2-CD1 3.96Å; L292-I296 HydrophobicContact CD2-CD1 3.51Å; L292-I296 HydrophobicContact CD2-CG1 4.36Å; L292-I296 HydrophobicContact CG-CD1 4.35Å; L292-I296 WeakPolarHBondContact O-CG1 3.48Å; L292-I296 PolarHBondContact O-N 2.92Å; V293-I296 PolarHBondContact O-N 2.88Å; E294-I296 PolarHBondContact O-N 3.15Å; I296-K298 PolarHBondContact O-N 2.8Å; I296-K299 PolarHBondContact O-N 3.13Å; I296-L300 HydrophobicContact CG2-CD1 4.04Å; I296-L300 WeakPolarHBondContact O-CG 3.37Å; I296-L300 PolarHBondContact O-N 2.75Å
297	V	98.9	Very high	98.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-48.1	-179	174.1	0	0	0	0	110.8	L63 V293 E294 K299 L300 E301 L306 I311	L63-V297 HydrophobicContact CB-CG1 4.36Å; L63-V297 HydrophobicContact CB-CG2 4.34Å; L63-V297 HydrophobicContact CD1-CB 4.4Å; L63-V297 HydrophobicContact CD2-CG1 4.25Å; V293-V297 HydrophobicContact CG1-CG2 4.32Å; V293-V297 WeakPolarHBondContact O-CG2 3.38Å; V293-V297 PolarHBondContact O-N 3.21Å; E294-V297 PolarHBondContact O-N 3.29Å; V297-K299 VanDerWaalsContact C-N 3.32Å; V297-K299 PolarHBondContact O-N 2.89Å; V297-L300 PolarHBondContact O-N 3.14Å; V297-E301 PolarHBondContact O-N 2.9Å; V297-L306 HydrophobicContact CG1-CD1 4.15Å; V297-L306 HydrophobicContact CG1-CD2 4.15Å; V297-I311 HydrophobicContact CG2-CD1 3.84Å
298	K	98.8	Very high	98.1	Very high	98 Å²	98	43.2 Å²	43.2	43%	0.426	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-37.9	176.8	-74.2	-178.5	-178.8	171	0	112.4	E294 I296 L300 E301 V302	E294-K298 HydrophobicContact CG-CD 3.9Å; E294-K298 HydrophobicContact CG-CG 4.34Å; E294-K298 WeakPolarHBondContact O-CB 3.26Å; E294-K298 WeakPolarHBondContact O-CG 3.23Å; E294-K298 PolarHBondContact O-N 3.47Å; E294-K298 VanDerWaalsContact OE1-CE 3.24Å; E294-K298 WeakPolarHBondContact OE1-CE 3.34Å; E294-K298 IonicContact OE1-NZ 3.85Å; E294-K298 PolarHBondContact OE1-NZ 3.03Å; E294-K298 IonicContact OE2-NZ 2.76Å; I296-K298 PolarHBondContact O-N 2.8Å; K298-L300 VanDerWaalsContact C-N 3.33Å; K298-L300 PolarHBondContact O-N 3.18Å; K298-E301 WeakPolarHBondContact O-CB 3.46Å; K298-E301 PolarHBondContact O-N 3.29Å; K298-V302 WeakPolarHBondContact O-CG2 3.48Å; K298-V302 PolarHBondContact O-N 3.39Å
299	K	98.8	Very high	98.1	Very high	50 Å²	50	43.2 Å²	43.2	22%	0.217	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-39.1	177.5	-173	63.1	173.2	-176.4	0	111.7	L203 L206 K295 I296 V297 R303	L203-K299 HydrophobicContact CD2-CB 3.54Å; L203-K299 HydrophobicContact CD2-CD 4.34Å; L203-K299 HydrophobicContact CD2-CG 3.76Å; L206-K299 HydrophobicContact CB-CG 3.89Å; L206-K299 HydrophobicContact CD1-CB 4.01Å; L206-K299 HydrophobicContact CD1-CG 3.8Å; K295-K299 VanDerWaalsContact O-CB 3.29Å; K295-K299 WeakPolarHBondContact O-CB 3.38Å; K295-K299 PolarHBondContact O-N 3.21Å; I296-K299 PolarHBondContact O-N 3.13Å; V297-K299 VanDerWaalsContact C-N 3.32Å; V297-K299 PolarHBondContact O-N 2.89Å; K299-R303 WeakPolarHBondContact O-CB 3.48Å; K299-R303 VanDerWaalsContact O-CG 3.24Å; K299-R303 WeakPolarHBondContact O-CG 3.16Å; K299-R303 PolarHBondContact O-N 3.08Å; K299-R303 VanDerWaalsContact O-N 3.16Å
300	L	98.5	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-38.6	174.4	-66.4	167.7	0	0	0	111.9	V40 L206 F215 I296 V297 K298 R303 G304 E305 L306 T309 I311	V40-L300 HydrophobicContact CG2-CD1 4.22Å; L206-L300 HydrophobicContact CD1-CD2 4.15Å; L206-L300 HydrophobicContact CD1-CG 4.26Å; L206-L300 HydrophobicContact CD2-CD2 3.84Å; F215-L300 HydrophobicContact CE1-CD2 4.15Å; F215-L300 HydrophobicContact CZ-CD2 3.64Å; I296-L300 HydrophobicContact CG2-CD1 4.04Å; I296-L300 WeakPolarHBondContact O-CG 3.37Å; I296-L300 PolarHBondContact O-N 2.75Å; V297-L300 PolarHBondContact O-N 3.14Å; K298-L300 VanDerWaalsContact C-N 3.33Å; K298-L300 PolarHBondContact O-N 3.18Å; L300-R303 PolarHBondContact O-N 2.99Å; L300-G304 PolarHBondContact O-N 3.11Å; L300-E305 HydrophobicContact CD2-CB 4.28Å; L300-E305 PolarHBondContact O-N 3.14Å; L300-L306 HydrophobicContact CB-CB 4.04Å; L300-L306 HydrophobicContact CB-CD1 4.09Å; L300-L306 HydrophobicContact CD1-CD1 4.37Å; L300-L306 PolarHBondContact O-N 3.07Å; L300-T309 HydrophobicContact CD1-CG2 3.93Å; L300-I311 HydrophobicContact CD1-CD1 3.72Å; L300-I311 HydrophobicContact CD1-CG1 4.39Å
301	E	98.3	Very high	98.1	Very high	124 Å²	124	43.4 Å²	43.4	58%	0.579	23%	0.226	S	C	*	.	H	α-helix	trans	-61.7	-52.5	175.9	-171.4	174.8	-153.8	0	0	111.4	V297 K298 R303 G304 L306	V297-E301 PolarHBondContact O-N 2.9Å; K298-E301 WeakPolarHBondContact O-CB 3.46Å; K298-E301 PolarHBondContact O-N 3.29Å; E301-R303 PolarHBondContact O-N 3.42Å; E301-G304 PolarHBondContact O-N 3.24Å; E301-L306 HydrophobicContact CB-CD2 3.9Å; E301-L306 HydrophobicContact CG-CD2 4.28Å
302	V	97.8	Very high	98.1	Very high	122 Å²	122	42.3 Å²	42.3	74%	0.739	22%	0.22	S	C	*	.	H	α-helix	trans	-59	-31.9	177.9	169.9	0	0	0	0	112	K298 G304	K298-V302 WeakPolarHBondContact O-CG2 3.48Å; K298-V302 PolarHBondContact O-N 3.39Å; V302-G304 VanDerWaalsContact C-N 3.31Å
303	R	95.4	Very high	98.1	Very high	61 Å²	61	42.2 Å²	42.2	23%	0.23	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8	176.2	-72.9	180	60.7	77.3	15.2	113.9	L206 S211 K299 L300 E301 E305	L206-R303 WeakPolarHBondContact O-CD 3.31Å; L206-R303 PolarHBondContact O-NE 3.27Å; L206-R303 VanDerWaalsContact O-NE 3.11Å; L206-R303 PolarHBondContact O-NH1 3.48Å; S211-R303 PolarHBondContact OG-NH2 3.01Å; K299-R303 WeakPolarHBondContact O-CB 3.48Å; K299-R303 VanDerWaalsContact O-CG 3.24Å; K299-R303 WeakPolarHBondContact O-CG 3.16Å; K299-R303 PolarHBondContact O-N 3.08Å; K299-R303 VanDerWaalsContact O-N 3.16Å; L300-R303 PolarHBondContact O-N 2.99Å; E301-R303 PolarHBondContact O-N 3.42Å; R303-E305 HydrophobicContact CB-CB 4.39Å; R303-E305 HydrophobicContact CB-CG 4.07Å; R303-E305 IonicContact CZ-OE1 3.4Å; R303-E305 IonicContact CZ-OE2 2.8Å; R303-E305 VanDerWaalsContact NE-CD 3.34Å; R303-E305 IonicContact NE-OE1 3.73Å; R303-E305 PolarHBondContact NE-OE1 2.03Å; R303-E305 IonicContact NE-OE2 2.72Å; R303-E305 PolarHBondContact NE-OE2 3.05Å; R303-E305 IonicContact NH2-OE1 2.85Å; R303-E305 PolarHBondContact NH2-OE1 3.36Å; R303-E305 IonicContact NH2-OE2 3.64Å; R303-E305 PolarHBondContact O-N 3.26Å
304	G	96.1	Very high	98.1	Very high	68 Å²	68	42.4 Å²	42.4	70%	0.701	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	21.3	-173	0	0	0	0	0	113.6	L300 E301 V302	L300-G304 PolarHBondContact O-N 3.11Å; E301-G304 PolarHBondContact O-N 3.24Å; V302-G304 VanDerWaalsContact C-N 3.31Å
305	E	97	Very high	98.1	Very high	25 Å²	25	40.3 Å²	40.3	12%	0.117	21%	0.211	C	C	.	.			trans	-101.4	-13	-177	-69.7	177.5	164.7	0	0	112.7	K209 L300 R303 E307 N308 T309	K209-E305 VanDerWaalsContact CE-OE2 3.24Å; K209-E305 WeakPolarHBondContact CE-OE2 3.4Å; K209-E305 IonicContact NZ-OE1 2.66Å; K209-E305 PolarHBondContact NZ-OE1 3.33Å; K209-E305 IonicContact NZ-OE2 3.2Å; K209-E305 PolarHBondContact NZ-OE2 3.03Å; L300-E305 HydrophobicContact CD2-CB 4.28Å; L300-E305 PolarHBondContact O-N 3.14Å; R303-E305 HydrophobicContact CB-CB 4.39Å; R303-E305 HydrophobicContact CB-CG 4.07Å; R303-E305 IonicContact CZ-OE1 3.4Å; R303-E305 IonicContact CZ-OE2 2.8Å; R303-E305 VanDerWaalsContact NE-CD 3.34Å; R303-E305 IonicContact NE-OE1 3.73Å; R303-E305 PolarHBondContact NE-OE1 2.03Å; R303-E305 IonicContact NE-OE2 2.72Å; R303-E305 PolarHBondContact NE-OE2 3.05Å; R303-E305 IonicContact NH2-OE1 2.85Å; R303-E305 PolarHBondContact NH2-OE1 3.36Å; R303-E305 IonicContact NH2-OE2 3.64Å; R303-E305 PolarHBondContact O-N 3.26Å; E305-E307 PolarHBondContact O-N 2.94Å; E305-N308 CarbonylContact O-C 3.56Å; E305-N308 PolarHBondContact O-N 3.4Å; E305-N308 VanDerWaalsContact O-N 3.13Å; E305-T309 PolarHBondContact O-N 3.31Å; E305-T309 PolarHBondContact O-OG1 3.25Å
306	L	97.8	Very high	98.1	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.058	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-58.6	-44.8	-172.9	-176.6	58.6	0	0	0	113.3	V297 L300 E301 N308 T309 I311 R345	V297-L306 HydrophobicContact CG1-CD1 4.15Å; V297-L306 HydrophobicContact CG1-CD2 4.15Å; L300-L306 HydrophobicContact CB-CB 4.04Å; L300-L306 HydrophobicContact CB-CD1 4.09Å; L300-L306 HydrophobicContact CD1-CD1 4.37Å; L300-L306 PolarHBondContact O-N 3.07Å; E301-L306 HydrophobicContact CB-CD2 3.9Å; E301-L306 HydrophobicContact CG-CD2 4.28Å; L306-N308 PolarHBondContact O-N 3.26Å; L306-T309 PolarHBondContact O-N 3.45Å; L306-I311 HydrophobicContact CD1-CD1 3.81Å; L306-R345 VanDerWaalsContact CG-NH2 3.29Å
307	E	96.4	Very high	98	Very high	147 Å²	147	36.8 Å²	36.8	69%	0.687	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-66.2	-20	-179.4	-64.7	-53	120.9	0	0	113.6	E305 R345 P347	E305-E307 PolarHBondContact O-N 2.94Å; E307-R345 IonicContact OE1-NH2 3.15Å; E307-P347 WeakPolarHBondContact O-CG 3.48Å
308	N	96.9	Very high	97.9	Very high	54 Å²	54	36.7 Å²	36.7	29%	0.289	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-102.3	13.7	174.8	-169	54	0	0	0	112.6	R36 P37 N38 E305 L306	R36-N308 PolarHBondContact O-ND2 2.73Å; P37-N308 CarbonylContact C-O 3.54Å; P37-N308 WeakPolarHBondContact CA-O 3.23Å; N38-N308 PolarHBondContact N-O 3.41Å; E305-N308 CarbonylContact O-C 3.56Å; E305-N308 PolarHBondContact O-N 3.4Å; E305-N308 VanDerWaalsContact O-N 3.13Å; L306-N308 PolarHBondContact O-N 3.26Å
309	T	98.6	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.3	-174.8	-55.9	0	0	0	0	111.3	N38 V40 F215 L300 E305 L306 I311 G346	N38-T309 HydrophobicContact CB-CG2 3.91Å; N38-T309 WeakPolarHBondContact CB-OG1 3.27Å; N38-T309 PolarHBondContact ND2-OG1 2.8Å; N38-T309 CarbonylContact O-C 3.5Å; N38-T309 WeakPolarHBondContact O-CA 3.47Å; V40-T309 HydrophobicContact CG2-CG2 3.85Å; F215-T309 HydrophobicContact CZ-CG2 4.39Å; L300-T309 HydrophobicContact CD1-CG2 3.93Å; E305-T309 PolarHBondContact O-N 3.31Å; E305-T309 PolarHBondContact O-OG1 3.25Å; L306-T309 PolarHBondContact O-N 3.45Å; T309-I311 HydrophobicContact CG2-CG1 3.91Å; T309-G346 WeakPolarHBondContact O-CA 3.26Å
310	Y	98.8	Very high	97.8	Very high	6 Å²	6	30 Å²	30	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.4	163.6	-70.1	-95.9	0	0	0	109.4	P37 N38 I39 V40 R345 P347 I349 I371 L387	P37-Y310 HydrophobicContact CB-CD2 3.7Å; P37-Y310 HydrophobicContact CB-CE2 3.74Å; P37-Y310 HydrophobicContact CG-CD2 4.27Å; P37-Y310 HydrophobicContact CG-CE2 3.8Å; N38-Y310 PolarHBondContact O-N 2.88Å; I39-Y310 CarbonylContact C-O 3.6Å; I39-Y310 WeakPolarHBondContact CA-O 3.19Å; V40-Y310 PolarHBondContact N-O 3.01Å; Y310-R345 CarbonylContact C-O 3.57Å; Y310-R345 VanDerWaalsContact CA-O 3.28Å; Y310-R345 WeakPolarHBondContact CA-O 3.37Å; Y310-P347 HydrophobicContact CD2-CG 4.04Å; Y310-P347 HydrophobicContact CE2-CB 4.1Å; Y310-P347 HydrophobicContact CE2-CG 3.62Å; Y310-P347 PolarHBondContact OH-O 2.76Å; Y310-P347 VanDerWaalsContact OH-O 3.08Å; Y310-I349 HydrophobicContact CD1-CD1 4.07Å; Y310-I349 HydrophobicContact CE1-CD1 3.94Å; Y310-I349 HydrophobicContact CE1-CG1 4.31Å; Y310-I371 HydrophobicContact CD1-CD1 3.97Å; Y310-I371 HydrophobicContact CD2-CD1 4.2Å; Y310-I371 HydrophobicContact CD2-CG1 4.45Å; Y310-I371 HydrophobicContact CD2-CG2 3.48Å; Y310-I371 VanDerWaalsContact CD2-CG2 3.48Å; Y310-I371 HydrophobicContact CE1-CD1 4.3Å; Y310-I371 HydrophobicContact CE2-CG1 4.37Å; Y310-I371 HydrophobicContact CE2-CG2 3.62Å; Y310-I371 HydrophobicContact CG-CD1 3.91Å; Y310-I371 HydrophobicContact CG-CG2 4.25Å; Y310-L387 HydrophobicContact CE1-CD1 4.04Å
311	I	98.9	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.7	177	-50	180	0	0	0	108	V40 I42 I64 V297 L300 L306 T309 V344 R345	V40-I311 HydrophobicContact CB-CB 4.43Å; V40-I311 HydrophobicContact CB-CG1 4.23Å; V40-I311 HydrophobicContact CB-CG2 4.16Å; V40-I311 HydrophobicContact CG1-CG2 4.17Å; V40-I311 HydrophobicContact CG2-CG1 4.49Å; V40-I311 CarbonylContact O-C 3.53Å; V40-I311 WeakPolarHBondContact O-CA 3.5Å; I42-I311 HydrophobicContact CD1-CG2 4.43Å; I64-I311 HydrophobicContact CD1-CG2 3.72Å; I64-I311 HydrophobicContact CG1-CG2 4.26Å; V297-I311 HydrophobicContact CG2-CD1 3.84Å; L300-I311 HydrophobicContact CD1-CD1 3.72Å; L300-I311 HydrophobicContact CD1-CG1 4.39Å; L306-I311 HydrophobicContact CD1-CD1 3.81Å; T309-I311 HydrophobicContact CG2-CG1 3.91Å; I311-V344 WeakPolarHBondContact O-CA 3.45Å; I311-R345 HydrophobicContact CB-CG 3.81Å; I311-R345 HydrophobicContact CD1-CG 4.27Å; I311-R345 HydrophobicContact CG1-CG 4.15Å; I311-R345 PolarHBondContact N-O 2.76Å; I311-R345 PolarHBondContact O-N 2.86Å
312	F	98.9	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.5	176.5	-62.4	-102.3	0	0	0	109.1	I39 V40 L41 I42 L342 L343 V344 L364 T367 I371 F386 M390	I39-F312 HydrophobicContact CG2-CD2 4.3Å; I39-F312 HydrophobicContact CG2-CE2 4.09Å; V40-F312 PolarHBondContact O-N 3.07Å; L41-F312 HydrophobicContact CD1-CB 3.77Å; I42-F312 PolarHBondContact N-O 3.2Å; F312-L342 HydrophobicContact CD1-CD1 4.49Å; F312-L343 WeakPolarHBondContact CA-O 3.19Å; F312-V344 HydrophobicContact CD1-CB 4.25Å; F312-V344 HydrophobicContact CD1-CG1 3.75Å; F312-V344 HydrophobicContact CD1-CG2 3.46Å; F312-V344 VanDerWaalsContact CD1-CG2 3.46Å; F312-V344 HydrophobicContact CD2-CG1 4.34Å; F312-V344 HydrophobicContact CE1-CB 4.38Å; F312-V344 HydrophobicContact CE1-CG1 3.63Å; F312-V344 HydrophobicContact CE1-CG2 3.77Å; F312-V344 HydrophobicContact CE2-CG1 4.25Å; F312-V344 HydrophobicContact CG-CG1 4.1Å; F312-V344 HydrophobicContact CG-CG2 4.29Å; F312-V344 HydrophobicContact CZ-CG1 3.89Å; F312-L364 HydrophobicContact CD1-CD2 4.3Å; F312-T367 HydrophobicContact CE1-CG2 4.38Å; F312-T367 HydrophobicContact CZ-CG2 4.27Å; F312-I371 HydrophobicContact CE2-CD1 3.92Å; F312-I371 HydrophobicContact CZ-CD1 3.57Å; F312-F386 HydrophobicContact CD1-CZ 4.31Å; F312-F386 AromaticContact CE1-CE2 3.81Å; F312-F386 HydrophobicContact CE1-CE2 3.81Å; F312-F386 AromaticContact CE1-CZ 3.79Å; F312-F386 HydrophobicContact CE1-CZ 3.79Å; F312-M390 HydrophobicContact CE1-CE 4.17Å; F312-M390 HydrophobicContact CE1-SD 4.25Å; F312-M390 HydrophobicContact CZ-CE 4.05Å
313	F	98.9	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.7	168	-178.6	-85.7	0	0	0	109.1	I42 A44 L47 L54 L57 T60 I64 V289 V293 P341 L342 L343	I42-F313 HydrophobicContact CB-CD2 3.95Å; I42-F313 HydrophobicContact CG2-CD2 3.69Å; I42-F313 HydrophobicContact CG2-CE2 3.91Å; I42-F313 WeakPolarHBondContact O-CA 3.34Å; A44-F313 HydrophobicContact CB-CZ 4.41Å; L47-F313 HydrophobicContact CD2-CE1 3.65Å; L47-F313 HydrophobicContact CD2-CZ 3.74Å; L54-F313 HydrophobicContact CD2-CE1 4.21Å; L57-F313 HydrophobicContact CD1-CE1 3.68Å; L57-F313 HydrophobicContact CD1-CE2 4.41Å; L57-F313 HydrophobicContact CD1-CZ 3.41Å; L57-F313 VanDerWaalsContact CD1-CZ 3.41Å; T60-F313 HydrophobicContact CG2-CB 4.14Å; T60-F313 HydrophobicContact CG2-CD1 3.9Å; T60-F313 HydrophobicContact CG2-CD2 3.64Å; T60-F313 HydrophobicContact CG2-CE1 4.24Å; T60-F313 HydrophobicContact CG2-CE2 4Å; T60-F313 HydrophobicContact CG2-CG 3.6Å; T60-F313 HydrophobicContact CG2-CZ 4.3Å; I64-F313 HydrophobicContact CD1-CB 3.87Å; V289-F313 HydrophobicContact CG1-CE2 3.91Å; V289-F313 HydrophobicContact CG1-CZ 4.43Å; V293-F313 HydrophobicContact CG2-CD2 4.02Å; V293-F313 HydrophobicContact CG2-CE2 4.17Å; F313-P341 HydrophobicContact CE1-CG 4.41Å; F313-L342 WeakPolarHBondContact O-CA 3.47Å; F313-L343 HydrophobicContact CB-CB 4.34Å; F313-L343 HydrophobicContact CD1-CD1 4.37Å; F313-L343 PolarHBondContact N-O 3.21Å; F313-L343 PolarHBondContact O-N 3.12Å
314	T	98.9	Very high	97.8	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.025	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	-179	-178.9	-166.2	0	0	0	0	112.1	L41 I42 L43 A44 P341 L364	L41-T314 HydrophobicContact CD1-CG2 4Å; I42-T314 PolarHBondContact O-N 3.31Å; L43-T314 WeakPolarHBondContact CA-O 3.37Å; L43-T314 HydrophobicContact CD1-CG2 3.59Å; A44-T314 PolarHBondContact N-O 3.19Å; T314-P341 VanDerWaalsContact CA-O 3.23Å; T314-P341 WeakPolarHBondContact CA-O 3.11Å; T314-P341 WeakPolarHBondContact CB-O 3.39Å; T314-P341 PolarHBondContact OG1-O 2.73Å; T314-L364 HydrophobicContact CG2-CD1 4.06Å
315	S	98.7	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.1	173.1	-165.5	0	0	0	0	111.8	L43 A44 L47 N317	L43-S315 VanDerWaalsContact CD1-C 3.42Å; A44-S315 WeakPolarHBondContact O-CA 3.4Å; L47-S315 WeakPolarHBondContact CA-OG 3.4Å; L47-S315 WeakPolarHBondContact CB-OG 3.05Å; L47-S315 PolarHBondContact N-OG 3.08Å; L47-S315 WeakPolarHBondContact O-CB 3.35Å; L47-S315 PolarHBondContact O-OG 3.35Å; S315-N317 PolarHBondContact OG-N 3.36Å; S315-N317 PolarHBondContact OG-O 2.91Å
316	D	98.1	Very high	97.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-77.8	-32.3	168.6	61.6	-10.3	0	0	0	112.5	L43 A44 D45 D46 V76 S84 R85 I88	L43-D316 HydrophobicContact CD1-CB 4.48Å; A44-D316 PolarHBondContact O-N 3.04Å; D45-D316 VanDerWaalsContact CA-OD1 3.27Å; D45-D316 WeakPolarHBondContact CA-OD1 3.24Å; D46-D316 PolarHBondContact N-OD1 3.13Å; D46-D316 VanDerWaalsContact N-OD1 3.12Å; V76-D316 WeakPolarHBondContact CG1-O 3.26Å; S84-D316 WeakPolarHBondContact CB-O 3.43Å; S84-D316 PolarHBondContact OG-O 3.41Å; R85-D316 HydrophobicContact CG-CB 3.86Å; R85-D316 IonicContact CZ-OD2 3.57Å; R85-D316 IonicContact NE-OD2 3.74Å; R85-D316 PolarHBondContact NE-OD2 3.37Å; R85-D316 IonicContact NH2-OD2 3.44Å; R85-D316 PolarHBondContact NH2-OD2 2.68Å; I88-D316 HydrophobicContact CD1-CB 4.48Å
317	N	98	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.			trans	-160.4	169.2	174.3	51.4	-102	0	0	0	110.5	D46 L47 V76 S315 K330 V340	D46-N317 CarbonylContact C-O 3.49Å; D46-N317 PolarHBondContact OD1-ND2 3.21Å; L47-N317 CarbonylContact C-O 3.59Å; L47-N317 PolarHBondContact N-O 2.83Å; L47-N317 VanDerWaalsContact N-O 3.16Å; V76-N317 HydrophobicContact CG2-CB 4.44Å; S315-N317 PolarHBondContact OG-N 3.36Å; S315-N317 PolarHBondContact OG-O 2.91Å; N317-K330 WeakPolarHBondContact ND2-CD 3.39Å; N317-V340 VanDerWaalsContact C-CG1 3.46Å
318	G	97.4	Very high	97.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.			trans	-82.1	-162.2	169.9	0	0	0	0	0	112	F336 D337	G318-F336 CarbonylContact C-O 3.59Å; G318-F336 WeakPolarHBondContact CA-O 3.46Å; G318-D337 VanDerWaalsContact CA-O 3.31Å; G318-D337 WeakPolarHBondContact CA-O 3.29Å; G318-D337 PolarHBondContact N-O 3.13Å
319	Y	97.3	Very high	97.6	Very high	8 Å²	8	2.8 Å²	2.8	3%	0.031	1%	0.014	C	C	.	.			trans	-169.2	148.5	-177.2	-155.7	-101.9	0	0	0	109.7	D46 M51 R282 T321 L328 D329 F336 D337	D46-Y319 HydrophobicContact CB-CD2 3.74Å; D46-Y319 HydrophobicContact CB-CE2 4.36Å; D46-Y319 HydrophobicContact CB-CG 4.3Å; D46-Y319 WeakPolarHBondContact OD2-CE2 3.34Å; M51-Y319 WeakPolarHBondContact CG-O 3.31Å; R282-Y319 VanDerWaalsContact CZ-CG 3.42Å; Y319-T321 HydrophobicContact CD1-CG2 4.12Å; Y319-T321 HydrophobicContact CE1-CG2 4.13Å; Y319-L328 HydrophobicContact CE1-CB 3.86Å; Y319-L328 WeakPolarHBondContact OH-CD1 3.41Å; Y319-D329 WeakPolarHBondContact CA-O 3.3Å; Y319-D329 WeakPolarHBondContact CD2-O 3.36Å; Y319-D329 WeakPolarHBondContact CE2-O 3.47Å; Y319-F336 PolarHBondContact N-O 3.43Å; Y319-D337 VanDerWaalsContact C-OD1 3.32Å; Y319-D337 WeakPolarHBondContact CA-OD1 3.46Å
320	H	97.4	Very high	97.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	160	172.3	57.2	-87.1	0	0	0	112.8	Q323 L328 D329 F336 D337 E436	H320-Q323 HydrophobicContact CB-CB 4.32Å; H320-L328 WeakPolarHBondContact O-CA 3.42Å; H320-D329 PolarHBondContact CE1-N 3.02Å; H320-D329 PolarHBondContact CE1-O 3.29Å; H320-D329 VanDerWaalsContact CE1-O 3.22Å; H320-D329 PolarHBondContact N-O 2.76Å; H320-D329 PolarHBondContact ND1-O 2.81Å; H320-D329 PolarHBondContact NE2-N 3.09Å; H320-D329 VanDerWaalsContact NE2-N 3.14Å; H320-F336 HydrophobicContact CB-CB 4.47Å; H320-F336 HydrophobicContact CB-CD2 3.44Å; H320-F336 VanDerWaalsContact CB-CD2 3.44Å; H320-F336 HydrophobicContact CB-CE2 3.59Å; H320-F336 HydrophobicContact CB-CG 4.02Å; H320-F336 HydrophobicContact CB-CZ 4.28Å; H320-F336 AromaticContact CG-CD2 3.97Å; H320-F336 AromaticContact CG-CE2 3.68Å; H320-F336 AromaticContact ND1-CD2 3.92Å; H320-F336 AromaticContact ND1-CE2 3.54Å; H320-D337 IonicContact CE1-OD1 3.51Å; H320-D337 IonicContact CE1-OD2 2.67Å; H320-D337 IonicContact CG-OD1 2.77Å; H320-D337 PolarHBondContact N-OD1 2.99Å; H320-D337 IonicContact ND1-OD1 3.87Å; H320-D337 PolarHBondContact ND1-OD1 2.92Å; H320-D337 IonicContact ND1-OD2 2.92Å; H320-D337 PolarHBondContact ND1-OD2 2.87Å; H320-D337 VanDerWaalsContact ND1-OD2 3.12Å; H320-E436 IonicContact CE1-OE2 3.42Å; H320-E436 IonicContact NE2-OE1 3.33Å; H320-E436 PolarHBondContact NE2-OE1 2.98Å; H320-E436 IonicContact NE2-OE2 2.68Å; H320-E436 PolarHBondContact NE2-OE2 3.35Å; H320-E436 VanDerWaalsContact NE2-OE2 3.17Å
321	T	96.1	Very high	97.4	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.006	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	81	175.5	48.5	0	0	0	0	108.9	F249 Y319 P327 L328	F249-T321 WeakPolarHBondContact CE2-O 3.41Å; Y319-T321 HydrophobicContact CD1-CG2 4.12Å; Y319-T321 HydrophobicContact CE1-CG2 4.13Å; T321-P327 CarbonylContact C-O 3.56Å; T321-P327 WeakPolarHBondContact CA-O 3.18Å; T321-L328 HydrophobicContact CG2-CB 4.41Å
322	G	97.3	Very high	97.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	100.3	-0.9	174.2	0	0	0	0	0	116.1	N250 F324 S325 L326 P327	N250-G322 PolarHBondContact N-O 3.42Å; G322-F324 PolarHBondContact O-N 3.31Å; G322-S325 PolarHBondContact O-N 3.25Å; G322-S325 VanDerWaalsContact O-N 3.16Å; G322-L326 CarbonylContact C-O 3.5Å; G322-L326 WeakPolarHBondContact CA-O 3.3Å; G322-L326 PolarHBondContact N-O 3.25Å; G322-P327 PolarHBondContact N-O 3.49Å
323	Q	97.7	Very high	97.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.017	C	C	.	.	B	Isolated β-bridge	trans	-63.7	132.7	177.3	-77.4	61.5	49.6	0	0	110.3	M51 N248 H320 S325 L326 F336	M51-Q323 HydrophobicContact CE-CG 4.19Å; M51-Q323 PolarHBondContact SD-NE2 3.48Å; M51-Q323 PolarHBondContact SD-OE1 2.94Å; N248-Q323 CarbonylContact O-C 3.58Å; N248-Q323 WeakPolarHBondContact OD1-CG 3.36Å; H320-Q323 HydrophobicContact CB-CB 4.32Å; Q323-S325 PolarHBondContact O-N 3.34Å; Q323-S325 VanDerWaalsContact O-N 3.13Å; Q323-L326 VanDerWaalsContact O-CB 3.25Å; Q323-L326 WeakPolarHBondContact O-CB 3.49Å; Q323-L326 PolarHBondContact O-N 3.37Å; Q323-F336 HydrophobicContact CB-CD1 3.82Å; Q323-F336 HydrophobicContact CB-CE1 3.39Å; Q323-F336 HydrophobicContact CB-CZ 3.77Å; Q323-F336 HydrophobicContact CG-CD1 3.67Å; Q323-F336 HydrophobicContact CG-CE1 3.79Å; Q323-F336 HydrophobicContact CG-CG 4.33Å
324	F	98	Very high	97.3	Very high	1 Å²	1	3.6 Å²	3.6	0%	0.004	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	27	-172.5	-53	-59.7	0	0	0	115.2	N248 V251 K256 I260 G322 L326 Y334 F336 Y477 Q478 L479	N248-F324 HydrophobicContact CB-CD1 4.1Å; N248-F324 HydrophobicContact CB-CE1 3.51Å; N248-F324 HydrophobicContact CB-CE2 4.47Å; N248-F324 HydrophobicContact CB-CZ 3.73Å; N248-F324 PolarHBondContact O-N 2.97Å; V251-F324 CarbonylContact O-C 3.59Å; V251-F324 WeakPolarHBondContact O-CA 3.24Å; K256-F324 HydrophobicContact CD-CD1 4.11Å; K256-F324 HydrophobicContact CD-CD2 4.25Å; K256-F324 HydrophobicContact CD-CE1 4.24Å; K256-F324 HydrophobicContact CD-CE2 4.36Å; K256-F324 HydrophobicContact CD-CG 4.13Å; K256-F324 HydrophobicContact CD-CZ 4.37Å; I260-F324 HydrophobicContact CG2-CB 3.58Å; I260-F324 HydrophobicContact CG2-CD2 4.48Å; I260-F324 HydrophobicContact CG2-CG 4.16Å; G322-F324 PolarHBondContact O-N 3.31Å; F324-L326 PolarHBondContact O-N 2.87Å; F324-Y334 HydrophobicContact CD2-CD2 4.14Å; F324-Y334 AromaticContact CD2-CE2 3.98Å; F324-Y334 HydrophobicContact CD2-CE2 3.98Å; F324-Y334 AromaticContact CE2-CD1 3.82Å; F324-Y334 HydrophobicContact CE2-CD1 3.82Å; F324-Y334 AromaticContact CE2-CD2 3.96Å; F324-Y334 HydrophobicContact CE2-CD2 3.96Å; F324-Y334 AromaticContact CE2-CE1 3.91Å; F324-Y334 HydrophobicContact CE2-CE1 3.91Å; F324-Y334 HydrophobicContact CE2-CE2 4.01Å; F324-Y334 AromaticContact CE2-CG 3.9Å; F324-Y334 HydrophobicContact CE2-CG 3.9Å; F324-F336 HydrophobicContact CD2-CE1 4.06Å; F324-F336 HydrophobicContact CD2-CZ 4.2Å; F324-F336 AromaticContact CE2-CE1 3.84Å; F324-F336 HydrophobicContact CE2-CE1 3.84Å; F324-F336 HydrophobicContact CE2-CZ 4.34Å; F324-Y477 WeakPolarHBondContact CZ-O 3.48Å; F324-Q478 VanDerWaalsContact CZ-O 3.3Å; F324-Q478 WeakPolarHBondContact CZ-O 3.47Å; F324-L479 HydrophobicContact CE1-CD2 4.21Å
325	S	97.6	Very high	97.2	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	13.1	-172.3	-50.1	0	0	0	0	114.6	N250 V251 T265 G322 Q323 P327	N250-S325 VanDerWaalsContact C-OG 3.31Å; N250-S325 WeakPolarHBondContact CA-OG 3.03Å; N250-S325 PolarHBondContact OD1-OG 3.16Å; V251-S325 PolarHBondContact N-OG 3.01Å; T265-S325 WeakPolarHBondContact CG2-OG 3.46Å; T265-S325 VanDerWaalsContact OG1-CB 3.25Å; T265-S325 WeakPolarHBondContact OG1-CB 3.42Å; T265-S325 PolarHBondContact OG1-OG 2.85Å; G322-S325 PolarHBondContact O-N 3.25Å; G322-S325 VanDerWaalsContact O-N 3.16Å; Q323-S325 PolarHBondContact O-N 3.34Å; Q323-S325 VanDerWaalsContact O-N 3.13Å; S325-P327 WeakPolarHBondContact O-CD 3.18Å
326	L	96.8	Very high	97.1	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.021	C	C	.	.			trans	-70.7	122.3	163.6	-65.8	-179	0	0	0	108.6	I260 A263 G322 Q323 F324 Q332 V434 E436	I260-L326 HydrophobicContact CD1-CD1 3.67Å; I260-L326 HydrophobicContact CD1-CD2 4.4Å; I260-L326 HydrophobicContact CD1-CG 4.38Å; A263-L326 HydrophobicContact CB-CD2 4.36Å; G322-L326 CarbonylContact C-O 3.5Å; G322-L326 WeakPolarHBondContact CA-O 3.3Å; G322-L326 PolarHBondContact N-O 3.25Å; Q323-L326 VanDerWaalsContact O-CB 3.25Å; Q323-L326 WeakPolarHBondContact O-CB 3.49Å; Q323-L326 PolarHBondContact O-N 3.37Å; F324-L326 PolarHBondContact O-N 2.87Å; L326-Q332 HydrophobicContact CD1-CG 3.68Å; L326-V434 HydrophobicContact CD2-CG1 4.16Å; L326-E436 WeakPolarHBondContact CB-OE2 3.43Å; L326-E436 WeakPolarHBondContact CD2-OE2 3.48Å
327	P	95	Very high	97.1	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.013	2%	0.021	C	C	.	.			trans	-59	-66.1	-174.4	-24.9	31.6	0	0	0	114.1	L275 T321 G322 S325 P431 V434 E436	L275-P327 VanDerWaalsContact CD1-O 3.27Å; L275-P327 WeakPolarHBondContact CD1-O 3.2Å; L275-P327 HydrophobicContact CD2-CB 4.07Å; L275-P327 WeakPolarHBondContact CD2-O 3.38Å; T321-P327 CarbonylContact C-O 3.56Å; T321-P327 WeakPolarHBondContact CA-O 3.18Å; G322-P327 PolarHBondContact N-O 3.49Å; S325-P327 WeakPolarHBondContact O-CD 3.18Å; P327-P431 VanDerWaalsContact CB-CD 3.41Å; P327-P431 HydrophobicContact CB-CG 3.94Å; P327-P431 HydrophobicContact CG-CG 4.11Å; P327-V434 HydrophobicContact CG-CB 3.9Å; P327-V434 HydrophobicContact CG-CG1 4.26Å; P327-V434 HydrophobicContact CG-CG2 4.46Å; P327-E436 WeakPolarHBondContact CD-OE1 3.27Å
328	L	95.3	Very high	97.2	Very high	22 Å²	22	4.3 Å²	4.3	12%	0.115	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	126.3	-179.1	59.8	96.3	0	0	0	110	W228 F274 L275 A278 Y319 H320 T321 E436	W228-L328 HydrophobicContact CH2-CD1 3.94Å; W228-L328 HydrophobicContact CH2-CD2 4.07Å; W228-L328 HydrophobicContact CZ2-CD1 4.2Å; F274-L328 HydrophobicContact CD1-CD2 4.13Å; F274-L328 HydrophobicContact CE1-CD2 3.34Å; F274-L328 HydrophobicContact CE1-CG 4.43Å; F274-L328 HydrophobicContact CZ-CD2 4Å; L275-L328 HydrophobicContact CD2-CB 4.19Å; L275-L328 HydrophobicContact CD2-CD2 3.62Å; L275-L328 HydrophobicContact CD2-CG 4.26Å; A278-L328 HydrophobicContact CB-CD2 4.09Å; Y319-L328 HydrophobicContact CE1-CB 3.86Å; Y319-L328 WeakPolarHBondContact OH-CD1 3.41Å; H320-L328 WeakPolarHBondContact O-CA 3.42Å; T321-L328 HydrophobicContact CG2-CB 4.41Å; L328-E436 PolarHBondContact N-OE1 3.21Å
329	D	95.9	Very high	97.2	Very high	15 Å²	15	7.1 Å²	7.1	8%	0.08	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-160	164.5	-153.4	-15.2	0	0	0	109.1	Y319 H320 R331 E436	Y319-D329 WeakPolarHBondContact CA-O 3.3Å; Y319-D329 WeakPolarHBondContact CD2-O 3.36Å; Y319-D329 WeakPolarHBondContact CE2-O 3.47Å; H320-D329 PolarHBondContact CE1-N 3.02Å; H320-D329 PolarHBondContact CE1-O 3.29Å; H320-D329 VanDerWaalsContact CE1-O 3.22Å; H320-D329 PolarHBondContact N-O 2.76Å; H320-D329 PolarHBondContact ND1-O 2.81Å; H320-D329 PolarHBondContact NE2-N 3.09Å; H320-D329 VanDerWaalsContact NE2-N 3.14Å; D329-R331 IonicContact OD1-NH1 3.44Å; D329-R331 PolarHBondContact OD1-NH1 3.12Å; D329-R331 IonicContact OD2-CZ 3.44Å; D329-R331 IonicContact OD2-NH1 3.34Å; D329-R331 PolarHBondContact OD2-NH1 3.11Å; D329-E436 HydrophobicContact CB-CB 3.75Å; D329-E436 HydrophobicContact CB-CG 3.73Å; D329-E436 WeakPolarHBondContact OD2-CB 3.46Å
330	K	95.8	Very high	97.3	Very high	6 Å²	6	6.9 Å²	6.9	3%	0.026	3%	0.03	C	C	.	.	S	Bend	trans	-118.4	-164.5	156.3	57.3	-146	155.4	-156.1	0	108.1	D46 P79 L80 C81 H225 N317 D337	D46-K330 WeakPolarHBondContact OD1-CD 3.34Å; D46-K330 WeakPolarHBondContact OD1-CE 3.45Å; D46-K330 IonicContact OD1-NZ 2.64Å; D46-K330 PolarHBondContact OD1-NZ 3.39Å; D46-K330 IonicContact OD2-NZ 3.73Å; D46-K330 PolarHBondContact OD2-NZ 3.14Å; P79-K330 WeakPolarHBondContact O-CB 3.3Å; P79-K330 VanDerWaalsContact O-CG 3.31Å; P79-K330 WeakPolarHBondContact O-CG 3.29Å; L80-K330 HydrophobicContact CD1-CG 4.33Å; C81-K330 PolarHBondContact SG-NZ 3.28Å; H225-K330 PolarHBondContact CD2-NZ 3.37Å; H225-K330 VanDerWaalsContact CD2-NZ 3.26Å; H225-K330 PolarHBondContact NE2-NZ 3.01Å; N317-K330 WeakPolarHBondContact ND2-CD 3.39Å; K330-D337 VanDerWaalsContact CA-OD2 3.31Å; K330-D337 WeakPolarHBondContact CA-OD2 3.36Å
331	R	97.1	Very high	97.3	Very high	11 Å²	11	6.9 Å²	6.9	4%	0.042	3%	0.031	C	C	.	.			trans	95.8	-8.3	175.3	-54.2	162.8	164.3	97.3	-10.3	116	P79 L80 D329 D337 Y407 E410 E428 D437 Y443	P79-R331 PolarHBondContact O-N 3.27Å; P79-R331 VanDerWaalsContact O-N 3.13Å; L80-R331 HydrophobicContact CD1-CG 4.1Å; D329-R331 IonicContact OD1-NH1 3.44Å; D329-R331 PolarHBondContact OD1-NH1 3.12Å; D329-R331 IonicContact OD2-CZ 3.44Å; D329-R331 IonicContact OD2-NH1 3.34Å; D329-R331 PolarHBondContact OD2-NH1 3.11Å; R331-D337 PolarHBondContact N-OD2 3.38Å; R331-Y407 HydrophobicContact CB-CD1 4.35Å; R331-Y407 HydrophobicContact CB-CD2 4.46Å; R331-Y407 HydrophobicContact CB-CE1 3.77Å; R331-Y407 HydrophobicContact CB-CE2 3.89Å; R331-Y407 WeakPolarHBondContact CD-OH 3.2Å; R331-Y407 HydrophobicContact CG-CE1 4.25Å; R331-Y407 HydrophobicContact CG-CE2 3.71Å; R331-Y407 VanDerWaalsContact CG-OH 3.27Å; R331-Y407 WeakPolarHBondContact CG-OH 3.47Å; R331-Y407 PolarHBondContact NE-OH 3.14Å; R331-Y407 VanDerWaalsContact NE-OH 3.15Å; R331-E410 IonicContact CZ-OE2 3.79Å; R331-E410 IonicContact NE-OE2 2.65Å; R331-E410 PolarHBondContact NE-OE2 2.77Å; R331-E410 IonicContact NH2-OE2 3.78Å; R331-E410 PolarHBondContact NH2-OE2 3.21Å; R331-E428 IonicContact NH2-OE1 3.8Å; R331-D437 IonicContact NE-OD2 2.68Å; R331-Y443 VanDerWaalsContact O-CE1 3.31Å; R331-Y443 WeakPolarHBondContact O-CE1 3.43Å; R331-Y443 PolarHBondContact O-OH 3.39Å
332	Q	97.9	Very high	97.5	Very high	3 Å²	3	7.1 Å²	7.1	1%	0.014	3%	0.032	C	C	.	.			trans	-89.3	156	179.4	-46.5	-51.7	-33.6	0	0	112.1	L326 Y334 F336 D337 E436 Y443	L326-Q332 HydrophobicContact CD1-CG 3.68Å; Q332-Y334 HydrophobicContact CB-CD2 3.61Å; Q332-Y334 HydrophobicContact CB-CE2 4.04Å; Q332-Y334 HydrophobicContact CG-CD2 4.49Å; Q332-Y334 PolarHBondContact O-N 3.08Å; Q332-F336 HydrophobicContact CB-CE2 3.97Å; Q332-F336 HydrophobicContact CB-CZ 4.4Å; Q332-F336 HydrophobicContact CG-CE2 4.3Å; Q332-D337 WeakPolarHBondContact CA-OD2 3.31Å; Q332-D337 VanDerWaalsContact CB-OD2 3.29Å; Q332-D337 WeakPolarHBondContact CB-OD2 3.18Å; Q332-D337 WeakPolarHBondContact CG-OD2 3.31Å; Q332-D337 PolarHBondContact N-OD2 3.28Å; Q332-D337 VanDerWaalsContact O-CB 3.23Å; Q332-D337 WeakPolarHBondContact O-CB 3.39Å; Q332-E436 PolarHBondContact NE2-O 3.33Å; Q332-Y443 PolarHBondContact O-OH 3.05Å
333	L	97.8	Very high	97.5	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.01	3%	0.033	C	C	.	.	S	Bend	trans	-71.1	-14.2	-178.4	63.4	88.3	0	0	0	113.9	I338 Y443 Q456 C458 F460 Y470	L333-I338 WeakPolarHBondContact O-CD1 3.26Å; L333-Y443 HydrophobicContact CB-CD2 4.11Å; L333-Y443 HydrophobicContact CB-CE1 4.48Å; L333-Y443 HydrophobicContact CB-CE2 3.64Å; L333-Y443 PolarHBondContact N-OH 3.27Å; L333-Q456 PolarHBondContact O-NE2 3.24Å; L333-C458 HydrophobicContact CD2-CB 3.92Å; L333-F460 HydrophobicContact CD2-CE2 3.67Å; L333-F460 HydrophobicContact CD2-CZ 3.46Å; L333-F460 VanDerWaalsContact CD2-CZ 3.46Å; L333-Y470 HydrophobicContact CD1-CE2 3.99Å
334	Y	98.5	Very high	97.6	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	3%	0.033	C	C	.	.	S	Bend	trans	-74.2	157.3	-168.8	-52.7	-70.5	0	0	0	112.9	K256 I260 F324 Q332 F336 D337 I338 E468 Y470 Q478	K256-Y334 HydrophobicContact CD-CE1 4.48Å; K256-Y334 WeakPolarHBondContact CD-OH 3.26Å; I260-Y334 HydrophobicContact CD1-CE2 4.04Å; I260-Y334 HydrophobicContact CG1-CE2 4.29Å; F324-Y334 HydrophobicContact CD2-CD2 4.14Å; F324-Y334 AromaticContact CD2-CE2 3.98Å; F324-Y334 HydrophobicContact CD2-CE2 3.98Å; F324-Y334 AromaticContact CE2-CD1 3.82Å; F324-Y334 HydrophobicContact CE2-CD1 3.82Å; F324-Y334 AromaticContact CE2-CD2 3.96Å; F324-Y334 HydrophobicContact CE2-CD2 3.96Å; F324-Y334 AromaticContact CE2-CE1 3.91Å; F324-Y334 HydrophobicContact CE2-CE1 3.91Å; F324-Y334 HydrophobicContact CE2-CE2 4.01Å; F324-Y334 AromaticContact CE2-CG 3.9Å; F324-Y334 HydrophobicContact CE2-CG 3.9Å; Q332-Y334 HydrophobicContact CB-CD2 3.61Å; Q332-Y334 HydrophobicContact CB-CE2 4.04Å; Q332-Y334 HydrophobicContact CG-CD2 4.49Å; Q332-Y334 PolarHBondContact O-N 3.08Å; Y334-F336 VanDerWaalsContact CB-CZ 3.45Å; Y334-F336 AromaticContact CD2-CE1 3.76Å; Y334-F336 HydrophobicContact CD2-CE1 3.76Å; Y334-F336 AromaticContact CD2-CE2 3.94Å; Y334-F336 HydrophobicContact CD2-CE2 3.94Å; Y334-F336 AromaticContact CD2-CZ 3.24Å; Y334-F336 HydrophobicContact CD2-CZ 3.24Å; Y334-F336 HydrophobicContact CE2-CZ 4.29Å; Y334-F336 HydrophobicContact CG-CD1 4.48Å; Y334-F336 AromaticContact CG-CE1 3.67Å; Y334-F336 HydrophobicContact CG-CE1 3.67Å; Y334-F336 HydrophobicContact CG-CE2 4.35Å; Y334-F336 AromaticContact CG-CZ 3.64Å; Y334-F336 HydrophobicContact CG-CZ 3.64Å; Y334-F336 PolarHBondContact O-N 2.8Å; Y334-D337 PolarHBondContact O-N 2.92Å; Y334-I338 WeakPolarHBondContact O-CG1 3.47Å; Y334-I338 PolarHBondContact O-N 2.95Å; Y334-I338 VanDerWaalsContact O-N 3.14Å; Y334-E468 WeakPolarHBondContact CE1-OE2 3.23Å; Y334-E468 PolarHBondContact OH-OE1 3.28Å; Y334-E468 PolarHBondContact OH-OE2 2.99Å; Y334-Y470 HydrophobicContact CD1-CE2 4.41Å; Y334-Y470 AromaticContact CE1-CE2 3.92Å; Y334-Y470 HydrophobicContact CE1-CE2 3.92Å; Y334-Y470 AromaticContact CE1-CZ 3.92Å; Y334-Q478 HydrophobicContact CD1-CB 3.97Å; Y334-Q478 HydrophobicContact CE1-CB 4.5Å
335	E	97.8	Very high	97.6	Very high	14 Å²	14	8.5 Å²	8.5	7%	0.065	4%	0.037	C	C	.	.	H	α-helix	trans	-51.2	-29.9	-177.2	-72	-89	127.7	0	0	113.2	F75 D337 R339 R447 V472 Q478	F75-E335 WeakPolarHBondContact CE1-OE1 3.31Å; E335-D337 VanDerWaalsContact C-N 3.3Å; E335-D337 PolarHBondContact O-N 2.8Å; E335-R339 WeakPolarHBondContact O-CB 3.4Å; E335-R339 PolarHBondContact O-N 2.75Å; E335-R339 WeakPolarHBondContact OE2-CD 3.37Å; E335-R339 IonicContact OE2-CZ 2.9Å; E335-R339 IonicContact OE2-NE 3.72Å; E335-R339 IonicContact OE2-NH1 2.83Å; E335-R339 PolarHBondContact OE2-NH1 2.85Å; E335-R447 IonicContact OE1-CZ 3.78Å; E335-R447 IonicContact OE1-NE 3.59Å; E335-R447 PolarHBondContact OE1-NE 2.68Å; E335-R447 IonicContact OE1-NH2 2.95Å; E335-R447 PolarHBondContact OE1-NH2 3.11Å; E335-R447 VanDerWaalsContact OE1-NH2 3.15Å; E335-V472 HydrophobicContact CG-CG1 4.2Å; E335-Q478 VanDerWaalsContact CG-OE1 3.27Å
336	F	96.9	Very high	97.6	Very high	5 Å²	5	9.2 Å²	9.2	2%	0.022	5%	0.045	C	C	.	.	H	α-helix	trans	-66.2	-27.6	178.6	52	-114.6	0	0	0	114.3	A50 M51 G318 Y319 H320 Q323 F324 Q332 Y334	A50-F336 HydrophobicContact CB-CB 3.86Å; M51-F336 HydrophobicContact CE-CB 4.15Å; G318-F336 CarbonylContact C-O 3.59Å; G318-F336 WeakPolarHBondContact CA-O 3.46Å; Y319-F336 PolarHBondContact N-O 3.43Å; H320-F336 HydrophobicContact CB-CB 4.47Å; H320-F336 HydrophobicContact CB-CD2 3.44Å; H320-F336 VanDerWaalsContact CB-CD2 3.44Å; H320-F336 HydrophobicContact CB-CE2 3.59Å; H320-F336 HydrophobicContact CB-CG 4.02Å; H320-F336 HydrophobicContact CB-CZ 4.28Å; H320-F336 AromaticContact CG-CD2 3.97Å; H320-F336 AromaticContact CG-CE2 3.68Å; H320-F336 AromaticContact ND1-CD2 3.92Å; H320-F336 AromaticContact ND1-CE2 3.54Å; Q323-F336 HydrophobicContact CB-CD1 3.82Å; Q323-F336 HydrophobicContact CB-CE1 3.39Å; Q323-F336 HydrophobicContact CB-CZ 3.77Å; Q323-F336 HydrophobicContact CG-CD1 3.67Å; Q323-F336 HydrophobicContact CG-CE1 3.79Å; Q323-F336 HydrophobicContact CG-CG 4.33Å; F324-F336 HydrophobicContact CD2-CE1 4.06Å; F324-F336 HydrophobicContact CD2-CZ 4.2Å; F324-F336 AromaticContact CE2-CE1 3.84Å; F324-F336 HydrophobicContact CE2-CE1 3.84Å; F324-F336 HydrophobicContact CE2-CZ 4.34Å; Q332-F336 HydrophobicContact CB-CE2 3.97Å; Q332-F336 HydrophobicContact CB-CZ 4.4Å; Q332-F336 HydrophobicContact CG-CE2 4.3Å; Y334-F336 VanDerWaalsContact CB-CZ 3.45Å; Y334-F336 AromaticContact CD2-CE1 3.76Å; Y334-F336 HydrophobicContact CD2-CE1 3.76Å; Y334-F336 AromaticContact CD2-CE2 3.94Å; Y334-F336 HydrophobicContact CD2-CE2 3.94Å; Y334-F336 AromaticContact CD2-CZ 3.24Å; Y334-F336 HydrophobicContact CD2-CZ 3.24Å; Y334-F336 HydrophobicContact CE2-CZ 4.29Å; Y334-F336 HydrophobicContact CG-CD1 4.48Å; Y334-F336 AromaticContact CG-CE1 3.67Å; Y334-F336 HydrophobicContact CG-CE1 3.67Å; Y334-F336 HydrophobicContact CG-CE2 4.35Å; Y334-F336 AromaticContact CG-CZ 3.64Å; Y334-F336 HydrophobicContact CG-CZ 3.64Å; Y334-F336 PolarHBondContact O-N 2.8Å
337	D	98.3	Very high	97.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-102.1	-30.4	-179.2	-81.4	-2.1	0	0	0	112.1	P79 G318 Y319 H320 K330 R331 Q332 Y334 E335	P79-D337 HydrophobicContact CB-CB 4.08Å; G318-D337 VanDerWaalsContact CA-O 3.31Å; G318-D337 WeakPolarHBondContact CA-O 3.29Å; G318-D337 PolarHBondContact N-O 3.13Å; Y319-D337 VanDerWaalsContact C-OD1 3.32Å; Y319-D337 WeakPolarHBondContact CA-OD1 3.46Å; H320-D337 IonicContact CE1-OD1 3.51Å; H320-D337 IonicContact CE1-OD2 2.67Å; H320-D337 IonicContact CG-OD1 2.77Å; H320-D337 PolarHBondContact N-OD1 2.99Å; H320-D337 IonicContact ND1-OD1 3.87Å; H320-D337 PolarHBondContact ND1-OD1 2.92Å; H320-D337 IonicContact ND1-OD2 2.92Å; H320-D337 PolarHBondContact ND1-OD2 2.87Å; H320-D337 VanDerWaalsContact ND1-OD2 3.12Å; K330-D337 VanDerWaalsContact CA-OD2 3.31Å; K330-D337 WeakPolarHBondContact CA-OD2 3.36Å; R331-D337 PolarHBondContact N-OD2 3.38Å; Q332-D337 WeakPolarHBondContact CA-OD2 3.31Å; Q332-D337 VanDerWaalsContact CB-OD2 3.29Å; Q332-D337 WeakPolarHBondContact CB-OD2 3.18Å; Q332-D337 WeakPolarHBondContact CG-OD2 3.31Å; Q332-D337 PolarHBondContact N-OD2 3.28Å; Q332-D337 VanDerWaalsContact O-CB 3.23Å; Q332-D337 WeakPolarHBondContact O-CB 3.39Å; Y334-D337 PolarHBondContact O-N 2.92Å; E335-D337 VanDerWaalsContact C-N 3.3Å; E335-D337 PolarHBondContact O-N 2.8Å
338	I	98.5	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-97.6	-20.3	-173.6	70	162.2	0	0	0	114.1	F75 V76 P79 L333 Y334 V405	F75-I338 CarbonylContact C-O 3.47Å; F75-I338 VanDerWaalsContact CA-O 3.26Å; F75-I338 WeakPolarHBondContact CA-O 3.22Å; F75-I338 HydrophobicContact CD1-CD1 4.1Å; F75-I338 HydrophobicContact CD1-CG1 4.21Å; F75-I338 HydrophobicContact CE1-CD1 4.49Å; V76-I338 HydrophobicContact CG2-CB 4.46Å; V76-I338 PolarHBondContact N-O 2.96Å; P79-I338 HydrophobicContact CB-CG2 4.18Å; P79-I338 HydrophobicContact CG-CG2 4.23Å; L333-I338 WeakPolarHBondContact O-CD1 3.26Å; Y334-I338 WeakPolarHBondContact O-CG1 3.47Å; Y334-I338 PolarHBondContact O-N 2.95Å; Y334-I338 VanDerWaalsContact O-N 3.14Å; I338-V405 HydrophobicContact CD1-CG2 4.11Å; I338-V405 HydrophobicContact CG2-CG1 3.86Å
339	R	98.5	Very high	97.5	Very high	58 Å²	58	16.1 Å²	16.1	22%	0.219	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-103.5	123.2	-175.4	-168.9	175.7	166.4	-173.2	-1.6	111.4	I49 T72 A74 F75 E335	I49-R339 HydrophobicContact CG2-CB 4.24Å; I49-R339 HydrophobicContact CG2-CG 3.8Å; I49-R339 PolarHBondContact N-O 2.99Å; T72-R339 PolarHBondContact O-NE 3.36Å; T72-R339 PolarHBondContact O-NH2 2.95Å; A74-R339 WeakPolarHBondContact O-CA 3.15Å; A74-R339 WeakPolarHBondContact O-CG 3.42Å; F75-R339 HydrophobicContact CD1-CB 4.01Å; F75-R339 HydrophobicContact CD1-CG 4.18Å; F75-R339 HydrophobicContact CE1-CB 3.96Å; F75-R339 HydrophobicContact CE1-CG 3.91Å; E335-R339 WeakPolarHBondContact O-CB 3.4Å; E335-R339 PolarHBondContact O-N 2.75Å; E335-R339 WeakPolarHBondContact OE2-CD 3.37Å; E335-R339 IonicContact OE2-CZ 2.9Å; E335-R339 IonicContact OE2-NE 3.72Å; E335-R339 IonicContact OE2-NH1 2.83Å; E335-R339 PolarHBondContact OE2-NH1 2.85Å
340	V	98.7	Very high	97.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	11%	0.11	C	C	.	.			trans	-120.1	156.8	-171.9	-66.1	0	0	0	0	111	A74 V76 N317	A74-V340 HydrophobicContact CB-CG2 4.4Å; A74-V340 PolarHBondContact O-N 2.61Å; V76-V340 HydrophobicContact CG1-CB 4.37Å; V76-V340 HydrophobicContact CG1-CG1 3.6Å; V76-V340 HydrophobicContact CG1-CG2 3.82Å; N317-V340 VanDerWaalsContact C-CG1 3.46Å
341	P	98.4	Very high	97.6	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.133	C	C	.	.			trans	-66	144.4	170.4	28.3	-35	0	0	0	111	L47 L54 F313 T314	L47-P341 HydrophobicContact CD2-CG 3.81Å; L47-P341 HydrophobicContact CG-CG 4.01Å; L47-P341 VanDerWaalsContact O-CD 3.27Å; L47-P341 WeakPolarHBondContact O-CD 3.49Å; L54-P341 HydrophobicContact CD1-CB 3.82Å; L54-P341 HydrophobicContact CD2-CB 3.6Å; L54-P341 HydrophobicContact CD2-CG 4.08Å; L54-P341 HydrophobicContact CG-CB 3.79Å; L54-P341 HydrophobicContact CG-CG 4.45Å; F313-P341 HydrophobicContact CE1-CG 4.41Å; T314-P341 VanDerWaalsContact CA-O 3.23Å; T314-P341 WeakPolarHBondContact CA-O 3.11Å; T314-P341 WeakPolarHBondContact CB-O 3.39Å; T314-P341 PolarHBondContact OG1-O 2.73Å
342	L	98.9	Very high	97.6	Very high	6 Å²	6	31 Å²	31	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	110.1	164.6	176.3	66.3	0	0	0	110.2	F71 A74 F312 F313 V344 V359 L364 F386	F71-L342 HydrophobicContact CB-CB 4.13Å; F71-L342 HydrophobicContact CB-CD2 3.99Å; F71-L342 HydrophobicContact CB-CG 4.27Å; F71-L342 HydrophobicContact CD2-CD2 3.73Å; F71-L342 HydrophobicContact CD2-CG 3.98Å; F71-L342 HydrophobicContact CE2-CD2 4.38Å; F71-L342 HydrophobicContact CG-CD2 3.9Å; F71-L342 HydrophobicContact CG-CG 4.41Å; F71-L342 PolarHBondContact N-O 2.82Å; A74-L342 HydrophobicContact CB-CB 3.57Å; A74-L342 HydrophobicContact CB-CD2 4.24Å; F312-L342 HydrophobicContact CD1-CD1 4.49Å; F313-L342 WeakPolarHBondContact O-CA 3.47Å; L342-V344 HydrophobicContact CD1-CG2 4.09Å; L342-V344 HydrophobicContact CG-CG2 4.23Å; L342-V359 HydrophobicContact CD2-CG2 3.59Å; L342-L364 HydrophobicContact CD1-CD2 4.35Å; L342-F386 HydrophobicContact CD2-CE2 4.48Å; L342-F386 HydrophobicContact CD2-CZ 4.13Å
343	L	98.9	Very high	97.6	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.6	176.8	-47.7	177.4	0	0	0	108.7	L54 T60 I64 T70 F312 F313	L54-L343 HydrophobicContact CD2-CD1 4.42Å; T60-L343 HydrophobicContact CG2-CD1 4.07Å; I64-L343 HydrophobicContact CB-CB 4.28Å; I64-L343 HydrophobicContact CG2-CB 3.62Å; T70-L343 HydrophobicContact CG2-CD2 3.65Å; T70-L343 VanDerWaalsContact OG1-CD2 3.29Å; T70-L343 WeakPolarHBondContact OG1-CD2 3.19Å; F312-L343 WeakPolarHBondContact CA-O 3.19Å; F313-L343 HydrophobicContact CB-CB 4.34Å; F313-L343 HydrophobicContact CD1-CD1 4.37Å; F313-L343 PolarHBondContact N-O 3.21Å; F313-L343 PolarHBondContact O-N 3.12Å
344	V	98.9	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.2	178	-165.2	0	0	0	0	111.1	G68 I69 F71 I311 F312 L342 I349 M390	G68-V344 CarbonylContact C-O 3.45Å; G68-V344 WeakPolarHBondContact CA-O 3.42Å; I69-V344 HydrophobicContact CG2-CB 4Å; I69-V344 PolarHBondContact N-O 3.4Å; I69-V344 PolarHBondContact O-N 3.26Å; F71-V344 HydrophobicContact CD2-CG2 4.45Å; F71-V344 HydrophobicContact CE2-CG2 4.18Å; I311-V344 WeakPolarHBondContact O-CA 3.45Å; F312-V344 HydrophobicContact CD1-CB 4.25Å; F312-V344 HydrophobicContact CD1-CG1 3.75Å; F312-V344 HydrophobicContact CD1-CG2 3.46Å; F312-V344 VanDerWaalsContact CD1-CG2 3.46Å; F312-V344 HydrophobicContact CD2-CG1 4.34Å; F312-V344 HydrophobicContact CE1-CB 4.38Å; F312-V344 HydrophobicContact CE1-CG1 3.63Å; F312-V344 HydrophobicContact CE1-CG2 3.77Å; F312-V344 HydrophobicContact CE2-CG1 4.25Å; F312-V344 HydrophobicContact CG-CG1 4.1Å; F312-V344 HydrophobicContact CG-CG2 4.29Å; F312-V344 HydrophobicContact CZ-CG1 3.89Å; L342-V344 HydrophobicContact CD1-CG2 4.09Å; L342-V344 HydrophobicContact CG-CG2 4.23Å; V344-I349 HydrophobicContact CG1-CD1 4.03Å; V344-M390 HydrophobicContact CB-SD 3.87Å; V344-M390 HydrophobicContact CG1-SD 3.56Å; V344-M390 VanDerWaalsContact CG1-SD 3.56Å; V344-M390 HydrophobicContact CG2-SD 4.05Å
345	R	98.4	Very high	97.5	Very high	27 Å²	27	39.4 Å²	39.4	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	158.5	163	67.1	167.4	-74.6	171	7.1	110.7	L63 I64 L306 E307 Y310 I311	L63-R345 WeakPolarHBondContact O-CD 3.48Å; L63-R345 PolarHBondContact O-NH1 3.39Å; I64-R345 HydrophobicContact CG2-CB 4.37Å; I64-R345 HydrophobicContact CG2-CG 4.2Å; L306-R345 VanDerWaalsContact CG-NH2 3.29Å; E307-R345 IonicContact OE1-NH2 3.15Å; Y310-R345 CarbonylContact C-O 3.57Å; Y310-R345 VanDerWaalsContact CA-O 3.28Å; Y310-R345 WeakPolarHBondContact CA-O 3.37Å; I311-R345 HydrophobicContact CB-CG 3.81Å; I311-R345 HydrophobicContact CD1-CG 4.27Å; I311-R345 HydrophobicContact CG1-CG 4.15Å; I311-R345 PolarHBondContact N-O 2.76Å; I311-R345 PolarHBondContact O-N 2.86Å
346	G	97.4	Very high	97.4	Very high	15 Å²	15	44.1 Å²	44.1	16%	0.155	23%	0.229	C	C	.	.			trans	162.1	-175.7	173.4	0	0	0	0	0	113.9	T309 N348 I349	T309-G346 WeakPolarHBondContact O-CA 3.26Å; G346-N348 PolarHBondContact O-N 3.34Å; G346-I349 WeakPolarHBondContact O-CB 3.29Å; G346-I349 PolarHBondContact O-N 3.13Å
347	P	96.1	Very high	97.3	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.123	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	136.1	177.6	-21.5	24.5	0	0	0	112.5	E307 Y310 I349	E307-P347 WeakPolarHBondContact O-CG 3.48Å; Y310-P347 HydrophobicContact CD2-CG 4.04Å; Y310-P347 HydrophobicContact CE2-CB 4.1Å; Y310-P347 HydrophobicContact CE2-CG 3.62Å; Y310-P347 PolarHBondContact OH-O 2.76Å; Y310-P347 VanDerWaalsContact OH-O 3.08Å; P347-I349 PolarHBondContact O-N 3.1Å; P347-I349 VanDerWaalsContact O-N 3.14Å
348	N	92.8	Very high	97.2	Very high	133 Å²	133	45.8 Å²	45.8	71%	0.711	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	13.6	176.9	-49.3	-62.6	0	0	0	115.5	G346	G346-N348 PolarHBondContact O-N 3.34Å
349	I	96.4	Very high	97.2	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.082	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-97.7	122.2	169.4	-54.9	-177.2	0	0	0	107.3	I69 Y310 V344 G346 P347 M390	I69-I349 HydrophobicContact CB-CG2 3.97Å; I69-I349 HydrophobicContact CG2-CD1 4.37Å; I69-I349 HydrophobicContact CG2-CG2 3.88Å; Y310-I349 HydrophobicContact CD1-CD1 4.07Å; Y310-I349 HydrophobicContact CE1-CD1 3.94Å; Y310-I349 HydrophobicContact CE1-CG1 4.31Å; V344-I349 HydrophobicContact CG1-CD1 4.03Å; G346-I349 WeakPolarHBondContact O-CB 3.29Å; G346-I349 PolarHBondContact O-N 3.13Å; P347-I349 PolarHBondContact O-N 3.1Å; P347-I349 VanDerWaalsContact O-N 3.14Å; I349-M390 HydrophobicContact CD1-CB 3.86Å; I349-M390 HydrophobicContact CD1-CG 4.32Å; I349-M390 HydrophobicContact CD1-SD 3.86Å; I349-M390 HydrophobicContact CG1-CB 4.07Å
350	K	95.8	Very high	97.2	Very high	153 Å²	153	43.2 Å²	43.2	67%	0.665	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-68.7	150.6	174.2	-67.2	178.7	-178.1	176.9	0	109.6	G68 Q353	G68-K350 CarbonylContact C-O 3.54Å; K350-Q353 HydrophobicContact CB-CG 3.86Å; K350-Q353 WeakPolarHBondContact O-CG 3.36Å
351	P	97.1	Very high	97.2	Very high	77 Å²	77	43.4 Å²	43.4	50%	0.5	23%	0.229	S	C	.	.	S	Bend	trans	-68.3	162	172.6	29.4	-35.1	0	0	0	111.8	D66 Q353	D66-P351 WeakPolarHBondContact O-CB 3.13Å; P351-Q353 VanDerWaalsContact C-N 3.27Å; P351-Q353 PolarHBondContact O-N 2.53Å; P351-Q353 PolarHBondContact O-NE2 3.13Å
352	N	97.3	Very high	97.2	Very high	116 Å²	116	43.3 Å²	43.3	62%	0.62	23%	0.229	S	C	*	.	S	Bend	trans	52.1	39.2	175	-62	-52.3	0	0	0	114.2	D66 G68	D66-N352 WeakPolarHBondContact CA-OD1 3.32Å; D66-N352 VanDerWaalsContact O-CG 3.3Å; D66-N352 PolarHBondContact O-N 2.92Å; D66-N352 PolarHBondContact O-OD1 3.29Å; G68-N352 PolarHBondContact O-N 3.28Å
353	Q	97.4	Very high	97.2	Very high	82 Å²	82	43 Å²	43	38%	0.383	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	150.4	175.7	-58.5	-59.5	-69.9	0	0	111	G68 I69 T70 K350 P351	G68-Q353 PolarHBondContact O-N 3.24Å; I69-Q353 WeakPolarHBondContact CA-O 3.14Å; I69-Q353 HydrophobicContact CB-CB 3.82Å; I69-Q353 HydrophobicContact CD1-CB 4.06Å; I69-Q353 HydrophobicContact CG1-CB 3.72Å; T70-Q353 PolarHBondContact N-O 2.81Å; K350-Q353 HydrophobicContact CB-CG 3.86Å; K350-Q353 WeakPolarHBondContact O-CG 3.36Å; P351-Q353 VanDerWaalsContact C-N 3.27Å; P351-Q353 PolarHBondContact O-N 2.53Å; P351-Q353 PolarHBondContact O-NE2 3.13Å
354	T	97.2	Very high	97.2	Very high	91 Å²	91	43 Å²	43	56%	0.558	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.1	171.1	-61.7	0	0	0	0	109.1	T70 T72	T70-T354 CarbonylContact O-C 3.49Å; T70-T354 VanDerWaalsContact O-CA 3.31Å; T70-T354 WeakPolarHBondContact O-CA 3.46Å; T72-T354 HydrophobicContact CG2-CG2 3.67Å
355	S	96.9	Very high	97.2	Very high	9 Å²	9	43 Å²	43	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.2	174.1	-178.6	0	0	0	0	110.7	T70 F71 T72 M357	T70-S355 PolarHBondContact O-N 2.71Å; F71-S355 WeakPolarHBondContact CA-O 3.18Å; T72-S355 PolarHBondContact N-O 2.88Å; T72-S355 PolarHBondContact OG1-O 2.84Å; T72-S355 VanDerWaalsContact OG1-O 3.12Å; S355-M357 PolarHBondContact OG-N 2.85Å
356	Q	95.8	Very high	97.2	Very high	113 Å²	113	41.8 Å²	41.8	53%	0.528	22%	0.223	S	C	.	.			trans	-91.8	-0.8	172.1	-59.6	-67.6	-24.9	0	0	112.2	T72 N73	T72-Q356 PolarHBondContact OG1-NE2 3.04Å; T72-Q356 VanDerWaalsContact OG1-NE2 3.16Å; T72-Q356 PolarHBondContact OG1-OE1 3.32Å; N73-Q356 PolarHBondContact ND2-O 2.65Å; N73-Q356 PolarHBondContact ND2-OE1 3.34Å
357	M	95.7	Very high	97.2	Very high	33 Å²	33	41 Å²	41	16%	0.163	22%	0.215	C	C	.	.	S	Bend	trans	-68.2	134.2	179.5	-63.7	-175.9	-149.4	0	0	110.1	S355 V359 I389 N395 W399	S355-M357 PolarHBondContact OG-N 2.85Å; M357-V359 PolarHBondContact O-N 2.98Å; M357-I389 HydrophobicContact CB-CD1 4.2Å; M357-I389 HydrophobicContact CE-CG2 4.38Å; M357-I389 HydrophobicContact SD-CD1 3.83Å; M357-I389 HydrophobicContact SD-CG1 3.81Å; M357-I389 HydrophobicContact SD-CG2 4.04Å; M357-N395 VanDerWaalsContact CE-CA 3.47Å; M357-W399 HydrophobicContact SD-CB 4.04Å; M357-W399 HydrophobicContact SD-CG 4.33Å
358	P	97.1	Very high	97.4	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.039	21%	0.21	C	C	.	.			trans	-71.3	127.4	-176.7	28.9	-34.8	0	0	0	110.8	N73 F75 W399 R400 I403 V449	N73-P358 CarbonylContact O-C 3.55Å; N73-P358 WeakPolarHBondContact O-CA 3.47Å; F75-P358 HydrophobicContact CE2-CB 4.38Å; P358-W399 PolarHBondContact O-NE1 2.72Å; P358-R400 WeakPolarHBondContact CG-O 3.36Å; P358-I403 HydrophobicContact CB-CD1 3.91Å; P358-I403 HydrophobicContact CB-CG1 3.99Å; P358-V449 HydrophobicContact CB-CB 3.98Å; P358-V449 HydrophobicContact CB-CG2 4.31Å; P358-V449 HydrophobicContact CG-CB 4.03Å
359	V	98.1	Very high	97.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.7	173.3	-63.9	0	0	0	0	109	F71 N73 A74 F75 L342 M357 F386 W399	F71-V359 HydrophobicContact CB-CG2 4.07Å; F71-V359 HydrophobicContact CD1-CG1 3.77Å; F71-V359 HydrophobicContact CD1-CG2 3.89Å; F71-V359 HydrophobicContact CE1-CG1 3.81Å; F71-V359 HydrophobicContact CG-CG2 4.11Å; N73-V359 PolarHBondContact O-N 3.22Å; A74-V359 WeakPolarHBondContact CA-O 3.35Å; A74-V359 HydrophobicContact CB-CG2 3.77Å; F75-V359 PolarHBondContact N-O 2.79Å; L342-V359 HydrophobicContact CD2-CG2 3.59Å; M357-V359 PolarHBondContact O-N 2.98Å; V359-F386 HydrophobicContact CB-CD1 4.49Å; V359-F386 HydrophobicContact CG1-CB 4.12Å; V359-F386 HydrophobicContact CG1-CD1 4.22Å; V359-F386 HydrophobicContact CG1-CG 4.2Å; V359-W399 HydrophobicContact CG1-CZ2 4.33Å
360	A	98.4	Very high	97.6	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160	175	0	0	0	0	0	111.9	F75 V362 D363 R400 I403	F75-A360 CarbonylContact O-C 3.5Å; F75-A360 WeakPolarHBondContact O-CA 3.33Å; A360-V362 HydrophobicContact CB-CG2 3.8Å; A360-V362 PolarHBondContact O-N 3.08Å; A360-V362 VanDerWaalsContact O-N 3.13Å; A360-D363 PolarHBondContact N-OD2 3.21Å; A360-D363 WeakPolarHBondContact O-CA 3.31Å; A360-D363 WeakPolarHBondContact O-CB 2.99Å; A360-D363 PolarHBondContact O-N 3.5Å; A360-R400 VanDerWaalsContact CB-NH2 3.34Å; A360-I403 HydrophobicContact CB-CD1 4.16Å; A360-I403 HydrophobicContact CB-CG2 3.7Å
361	N	98.4	Very high	97.7	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.032	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-55.6	-28	176.4	68.6	-15.4	0	0	0	113.6	F75 A77 S84 I88 D363 L364	F75-N361 PolarHBondContact O-N 3.22Å; A77-N361 VanDerWaalsContact CB-OD1 3.31Å; A77-N361 WeakPolarHBondContact CB-OD1 3.24Å; A77-N361 PolarHBondContact N-ND2 3.07Å; A77-N361 PolarHBondContact N-OD1 3.17Å; S84-N361 PolarHBondContact O-ND2 3.34Å; S84-N361 PolarHBondContact OG-ND2 2.94Å; I88-N361 HydrophobicContact CG1-CB 3.81Å; N361-D363 PolarHBondContact O-N 2.9Å; N361-L364 HydrophobicContact CB-CD1 4.47Å; N361-L364 WeakPolarHBondContact O-CB 3.16Å; N361-L364 PolarHBondContact O-N 2.8Å
362	V	98.8	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-62.3	-20	171.1	-66.7	0	0	0	0	113.9	A77 G91 K92 Y93 A360 P366	A77-V362 HydrophobicContact CB-CG1 3.9Å; G91-V362 VanDerWaalsContact CA-O 3.28Å; G91-V362 WeakPolarHBondContact CA-O 3.01Å; K92-V362 VanDerWaalsContact O-CG1 3.29Å; K92-V362 WeakPolarHBondContact O-CG1 3.4Å; Y93-V362 HydrophobicContact CD1-CG1 4.12Å; Y93-V362 HydrophobicContact CE1-CG1 4.19Å; Y93-V362 HydrophobicContact CE1-CG2 4.02Å; Y93-V362 HydrophobicContact CE2-CG2 4.21Å; Y93-V362 HydrophobicContact CG-CG1 4.33Å; A360-V362 HydrophobicContact CB-CG2 3.8Å; A360-V362 PolarHBondContact O-N 3.08Å; A360-V362 VanDerWaalsContact O-N 3.13Å; V362-P366 WeakPolarHBondContact O-CD 3.25Å
363	D	98.8	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-83.7	-13.6	180	-61	-31.4	0	0	0	112.9	A360 N361 P366 T367 G383 M384 F386 R400	A360-D363 PolarHBondContact N-OD2 3.21Å; A360-D363 WeakPolarHBondContact O-CA 3.31Å; A360-D363 WeakPolarHBondContact O-CB 2.99Å; A360-D363 PolarHBondContact O-N 3.5Å; N361-D363 PolarHBondContact O-N 2.9Å; D363-P366 WeakPolarHBondContact O-CD 3.33Å; D363-P366 WeakPolarHBondContact O-CG 3.01Å; D363-T367 VanDerWaalsContact O-CB 3.26Å; D363-T367 WeakPolarHBondContact O-CB 3.45Å; D363-T367 PolarHBondContact O-N 2.95Å; D363-T367 VanDerWaalsContact O-N 3.07Å; D363-T367 PolarHBondContact O-OG1 2.88Å; D363-G383 VanDerWaalsContact OD1-CA 3.26Å; D363-G383 WeakPolarHBondContact OD1-CA 3.11Å; D363-M384 WeakPolarHBondContact CB-O 3.38Å; D363-M384 PolarHBondContact OD1-N 3.23Å; D363-F386 HydrophobicContact CB-CD1 3.67Å; D363-F386 HydrophobicContact CB-CE1 3.98Å; D363-R400 VanDerWaalsContact CG-NH2 3.28Å; D363-R400 IonicContact OD1-CZ 2.85Å; D363-R400 IonicContact OD1-NH2 3.66Å; D363-R400 PolarHBondContact OD1-NH2 3.24Å; D363-R400 IonicContact OD2-CZ 2.95Å; D363-R400 IonicContact OD2-NE 3.8Å; D363-R400 IonicContact OD2-NH2 3.99Å; D363-R400 PolarHBondContact OD2-NH2 2.95Å
364	L	98.9	Very high	97.4	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-51.1	-177.9	-71.2	168.2	0	0	0	111.8	I88 F312 T314 L342 N361 T367 I368 F386	I88-L364 HydrophobicContact CG1-CD1 4.13Å; I88-L364 HydrophobicContact CG2-CD1 4.13Å; F312-L364 HydrophobicContact CD1-CD2 4.3Å; T314-L364 HydrophobicContact CG2-CD1 4.06Å; L342-L364 HydrophobicContact CD1-CD2 4.35Å; N361-L364 HydrophobicContact CB-CD1 4.47Å; N361-L364 WeakPolarHBondContact O-CB 3.16Å; N361-L364 PolarHBondContact O-N 2.8Å; L364-T367 PolarHBondContact O-N 3.44Å; L364-I368 WeakPolarHBondContact O-CB 3.29Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.19Å; L364-I368 PolarHBondContact O-N 2.83Å; L364-F386 HydrophobicContact CD2-CE1 4.18Å; L364-F386 HydrophobicContact CD2-CZ 4Å
365	G	98.3	Very high	97.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-52	-56.7	177.2	0	0	0	0	0	113.7	T367 I368 L369	G365-T367 VanDerWaalsContact C-N 3.32Å; G365-T367 PolarHBondContact O-N 3.04Å; G365-I368 PolarHBondContact O-N 2.79Å; G365-L369 WeakPolarHBondContact O-CG 3.22Å; G365-L369 PolarHBondContact O-N 3.2Å
366	P	98.4	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-34.1	178.2	22.8	-30.9	0	0	0	112.5	V362 D363 L369 D370 V376 M381	V362-P366 WeakPolarHBondContact O-CD 3.25Å; D363-P366 WeakPolarHBondContact O-CD 3.33Å; D363-P366 WeakPolarHBondContact O-CG 3.01Å; P366-L369 PolarHBondContact O-N 3.45Å; P366-D370 VanDerWaalsContact O-CB 3.31Å; P366-D370 WeakPolarHBondContact O-CB 3.41Å; P366-D370 PolarHBondContact O-N 2.67Å; P366-V376 HydrophobicContact CB-CB 4.46Å; P366-V376 HydrophobicContact CB-CG1 4.09Å; P366-V376 VanDerWaalsContact O-CG1 3.24Å; P366-V376 WeakPolarHBondContact O-CG1 3.4Å; P366-M381 HydrophobicContact CB-SD 4.03Å; P366-M381 VanDerWaalsContact CD-SD 3.6Å; P366-M381 HydrophobicContact CG-SD 4.29Å
367	T	98.8	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-44.6	175.7	-59.1	0	0	0	0	112.1	F312 D363 L364 G365 L369 D370 I371 S385 F386 L387 M390	F312-T367 HydrophobicContact CE1-CG2 4.38Å; F312-T367 HydrophobicContact CZ-CG2 4.27Å; D363-T367 VanDerWaalsContact O-CB 3.26Å; D363-T367 WeakPolarHBondContact O-CB 3.45Å; D363-T367 PolarHBondContact O-N 2.95Å; D363-T367 VanDerWaalsContact O-N 3.07Å; D363-T367 PolarHBondContact O-OG1 2.88Å; L364-T367 PolarHBondContact O-N 3.44Å; G365-T367 VanDerWaalsContact C-N 3.32Å; G365-T367 PolarHBondContact O-N 3.04Å; T367-L369 VanDerWaalsContact C-N 3.34Å; T367-L369 PolarHBondContact O-N 2.83Å; T367-D370 PolarHBondContact O-N 2.88Å; T367-I371 HydrophobicContact CG2-CD1 4.09Å; T367-I371 VanDerWaalsContact O-CG1 3.3Å; T367-I371 WeakPolarHBondContact O-CG1 3.35Å; T367-I371 PolarHBondContact O-N 3.42Å; T367-S385 WeakPolarHBondContact OG1-CA 3.38Å; T367-F386 HydrophobicContact CG2-CD1 4.31Å; T367-F386 HydrophobicContact CG2-CD2 4.03Å; T367-F386 HydrophobicContact CG2-CE1 4.17Å; T367-F386 HydrophobicContact CG2-CE2 3.9Å; T367-F386 HydrophobicContact CG2-CG 4.23Å; T367-F386 HydrophobicContact CG2-CZ 3.96Å; T367-F386 WeakPolarHBondContact OG1-CD1 3.43Å; T367-F386 VanDerWaalsContact OG1-CE1 3.29Å; T367-F386 WeakPolarHBondContact OG1-CE1 3.25Å; T367-F386 PolarHBondContact OG1-N 3.46Å; T367-L387 HydrophobicContact CG2-CB 4.29Å; T367-M390 HydrophobicContact CG2-CE 3.75Å
368	I	98.4	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-42	178	-72.1	168.8	0	0	0	110.7	I39 L41 F122 L126 F216 L364 G365 I371 A372	I39-I368 HydrophobicContact CD1-CG2 3.88Å; I39-I368 WeakPolarHBondContact CD1-O 3.42Å; I39-I368 HydrophobicContact CG2-CG1 4.2Å; I39-I368 HydrophobicContact CG2-CG2 4.32Å; L41-I368 HydrophobicContact CD2-CD1 4.33Å; F122-I368 HydrophobicContact CD2-CB 4.3Å; F122-I368 HydrophobicContact CD2-CD1 4.31Å; F122-I368 HydrophobicContact CD2-CG2 3.77Å; F122-I368 HydrophobicContact CE2-CB 4.46Å; F122-I368 HydrophobicContact CE2-CD1 3.73Å; F122-I368 HydrophobicContact CE2-CG2 3.9Å; F122-I368 HydrophobicContact CZ-CD1 3.86Å; L126-I368 HydrophobicContact CD1-CG2 3.73Å; L126-I368 HydrophobicContact CG-CG2 4.49Å; F216-I368 HydrophobicContact CD2-CG2 4.41Å; F216-I368 HydrophobicContact CE2-CD1 4.14Å; F216-I368 HydrophobicContact CE2-CG2 4.45Å; L364-I368 WeakPolarHBondContact O-CB 3.29Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.19Å; L364-I368 PolarHBondContact O-N 2.83Å; G365-I368 PolarHBondContact O-N 2.79Å; I368-I371 PolarHBondContact O-N 3.34Å; I368-A372 PolarHBondContact O-N 3.15Å; I368-A372 VanDerWaalsContact O-N 3.09Å
369	L	97.8	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-42.2	175.6	-74.7	176.7	0	0	0	112.3	F122 L125 L126 G365 P366 T367 A372 G373 Y374 V376 T379 M381	F122-L369 HydrophobicContact CB-CD1 4.15Å; F122-L369 HydrophobicContact CB-CD2 4.47Å; F122-L369 HydrophobicContact CB-CG 4.09Å; L125-L369 HydrophobicContact CB-CD1 4.41Å; L125-L369 HydrophobicContact CB-CD2 3.91Å; L125-L369 HydrophobicContact CD1-CD1 3.84Å; L126-L369 HydrophobicContact CD2-CD2 3.9Å; L126-L369 HydrophobicContact CG-CD2 3.88Å; G365-L369 WeakPolarHBondContact O-CG 3.22Å; G365-L369 PolarHBondContact O-N 3.2Å; P366-L369 PolarHBondContact O-N 3.45Å; T367-L369 VanDerWaalsContact C-N 3.34Å; T367-L369 PolarHBondContact O-N 2.83Å; L369-A372 CarbonylContact O-C 3.56Å; L369-A372 WeakPolarHBondContact O-CB 3.46Å; L369-A372 PolarHBondContact O-N 3.01Å; L369-A372 VanDerWaalsContact O-N 3.16Å; L369-G373 PolarHBondContact O-N 3.08Å; L369-Y374 HydrophobicContact CB-CD1 4.43Å; L369-Y374 HydrophobicContact CB-CG 4.46Å; L369-Y374 HydrophobicContact CD1-CD1 4.38Å; L369-Y374 HydrophobicContact CD2-CD1 4.48Å; L369-Y374 HydrophobicContact CD2-CG 4.13Å; L369-Y374 VanDerWaalsContact O-CB 3.29Å; L369-Y374 WeakPolarHBondContact O-CB 3.46Å; L369-Y374 PolarHBondContact O-N 2.03Å; L369-V376 HydrophobicContact CB-CG1 4.01Å; L369-T379 HydrophobicContact CD1-CG2 3.99Å; L369-M381 HydrophobicContact CD1-CE 3.63Å; L369-M381 HydrophobicContact CD1-SD 3.84Å
370	D	97.3	Very high	96.4	Very high	53 Å²	53	32.1 Å²	32.1	28%	0.283	17%	0.172	S	C	.	.	H	α-helix	trans	-63.2	-44	176.6	-171.6	19.4	0	0	0	111.7	P366 T367 A372 G373 V376 S385	P366-D370 VanDerWaalsContact O-CB 3.31Å; P366-D370 WeakPolarHBondContact O-CB 3.41Å; P366-D370 PolarHBondContact O-N 2.67Å; T367-D370 PolarHBondContact O-N 2.88Å; D370-A372 PolarHBondContact O-N 2.91Å; D370-G373 WeakPolarHBondContact O-CA 3.49Å; D370-G373 PolarHBondContact O-N 2.85Å; D370-V376 HydrophobicContact CB-CG1 4.15Å; D370-S385 WeakPolarHBondContact CB-OG 3.38Å; D370-S385 VanDerWaalsContact OD2-CB 3.24Å; D370-S385 WeakPolarHBondContact OD2-CB 3.39Å; D370-S385 PolarHBondContact OD2-OG 2.88Å
371	I	97.3	Very high	96.4	Very high	12 Å²	12	32 Å²	32	6%	0.062	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-38.3	172.6	-69.1	166.3	0	0	0	111.3	P37 I39 Y310 F312 T367 I368 G373 L387 M390	P37-I371 HydrophobicContact CB-CG2 3.97Å; P37-I371 HydrophobicContact CG-CG2 4.08Å; I39-I371 HydrophobicContact CD1-CB 3.93Å; I39-I371 HydrophobicContact CD1-CG2 3.61Å; I39-I371 HydrophobicContact CG1-CG2 3.79Å; Y310-I371 HydrophobicContact CD1-CD1 3.97Å; Y310-I371 HydrophobicContact CD2-CD1 4.2Å; Y310-I371 HydrophobicContact CD2-CG1 4.45Å; Y310-I371 HydrophobicContact CD2-CG2 3.48Å; Y310-I371 VanDerWaalsContact CD2-CG2 3.48Å; Y310-I371 HydrophobicContact CE1-CD1 4.3Å; Y310-I371 HydrophobicContact CE2-CG1 4.37Å; Y310-I371 HydrophobicContact CE2-CG2 3.62Å; Y310-I371 HydrophobicContact CG-CD1 3.91Å; Y310-I371 HydrophobicContact CG-CG2 4.25Å; F312-I371 HydrophobicContact CE2-CD1 3.92Å; F312-I371 HydrophobicContact CZ-CD1 3.57Å; T367-I371 HydrophobicContact CG2-CD1 4.09Å; T367-I371 VanDerWaalsContact O-CG1 3.3Å; T367-I371 WeakPolarHBondContact O-CG1 3.35Å; T367-I371 PolarHBondContact O-N 3.42Å; I368-I371 PolarHBondContact O-N 3.34Å; I371-G373 PolarHBondContact O-N 3.44Å; I371-L387 HydrophobicContact CD1-CD1 4.35Å; I371-L387 HydrophobicContact CG1-CD1 3.81Å; I371-L387 HydrophobicContact CG1-CD2 3.84Å; I371-L387 HydrophobicContact CG1-CG 4.26Å; I371-M390 HydrophobicContact CD1-CE 4.27Å
372	A	95.7	Very high	96.4	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.017	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.1	177.2	0	0	0	0	0	114.2	L126 Y132 I368 L369 D370	L126-A372 HydrophobicContact CD2-CB 3.38Å; Y132-A372 HydrophobicContact CE2-CB 3.67Å; Y132-A372 WeakPolarHBondContact OH-CA 3.26Å; Y132-A372 WeakPolarHBondContact OH-CB 3.24Å; I368-A372 PolarHBondContact O-N 3.15Å; I368-A372 VanDerWaalsContact O-N 3.09Å; L369-A372 CarbonylContact O-C 3.56Å; L369-A372 WeakPolarHBondContact O-CB 3.46Å; L369-A372 PolarHBondContact O-N 3.01Å; L369-A372 VanDerWaalsContact O-N 3.16Å; D370-A372 PolarHBondContact O-N 2.91Å
373	G	94.7	Very high	96.3	Very high	55 Å²	55	31.9 Å²	31.9	57%	0.567	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	16.8	-176.9	0	0	0	0	0	113.9	F129 L369 D370 I371	F129-G373 WeakPolarHBondContact CZ-O 3.48Å; L369-G373 PolarHBondContact O-N 3.08Å; D370-G373 WeakPolarHBondContact O-CA 3.49Å; D370-G373 PolarHBondContact O-N 2.85Å; I371-G373 PolarHBondContact O-N 3.44Å
374	Y	94.8	Very high	96.2	Very high	38 Å²	38	33.9 Å²	33.9	15%	0.149	18%	0.181	C	C	.	.			trans	-77.9	137.9	174.4	-170.5	-82.3	0	0	0	110.3	F129 L369 V376 K378 T379	F129-Y374 HydrophobicContact CB-CD2 3.65Å; F129-Y374 HydrophobicContact CB-CE2 3.99Å; F129-Y374 AromaticContact CD1-CD2 3.96Å; F129-Y374 HydrophobicContact CD1-CD2 3.96Å; F129-Y374 AromaticContact CD2-CD2 3.4Å; F129-Y374 HydrophobicContact CD2-CD2 3.4Å; F129-Y374 VanDerWaalsContact CD2-CD2 3.4Å; F129-Y374 AromaticContact CD2-CE2 3.76Å; F129-Y374 HydrophobicContact CD2-CE2 3.76Å; F129-Y374 HydrophobicContact CD2-CG 4.44Å; F129-Y374 HydrophobicContact CE1-CD2 4.45Å; F129-Y374 AromaticContact CE2-CD2 3.96Å; F129-Y374 HydrophobicContact CE2-CD2 3.96Å; F129-Y374 HydrophobicContact CE2-CE2 4.49Å; F129-Y374 AromaticContact CG-CD2 3.4Å; F129-Y374 HydrophobicContact CG-CD2 3.4Å; F129-Y374 VanDerWaalsContact CG-CD2 3.4Å; F129-Y374 HydrophobicContact CG-CE2 4.03Å; F129-Y374 HydrophobicContact CG-CG 4.44Å; F129-Y374 HydrophobicContact CZ-CD2 4.45Å; L369-Y374 HydrophobicContact CB-CD1 4.43Å; L369-Y374 HydrophobicContact CB-CG 4.46Å; L369-Y374 HydrophobicContact CD1-CD1 4.38Å; L369-Y374 HydrophobicContact CD2-CD1 4.48Å; L369-Y374 HydrophobicContact CD2-CG 4.13Å; L369-Y374 VanDerWaalsContact O-CB 3.29Å; L369-Y374 WeakPolarHBondContact O-CB 3.46Å; L369-Y374 PolarHBondContact O-N 2.03Å; Y374-V376 PolarHBondContact O-N 3Å; Y374-K378 HydrophobicContact CE1-CB 4.21Å; Y374-T379 HydrophobicContact CD1-CG2 4.25Å; Y374-T379 HydrophobicContact CE1-CG2 3.67Å
375	N	93	Very high	96.1	Very high	79 Å²	79	34.6 Å²	34.6	42%	0.422	19%	0.186	S	C	.	.			trans	-75.4	96.8	174.7	-177.4	-8.7	0	0	0	110.7	N377 K378	N375-N377 PolarHBondContact O-N 3.44Å; N375-N377 WeakPolarHBondContact OD1-CB 3.43Å; N375-N377 PolarHBondContact OD1-N 3.34Å; N375-K378 HydrophobicContact CB-CD 4.35Å; N375-K378 HydrophobicContact CB-CG 4.26Å; N375-K378 WeakPolarHBondContact O-CB 3.4Å; N375-K378 PolarHBondContact O-N 2.98Å
376	V	93.5	Very high	96.1	Very high	21 Å²	21	34.6 Å²	34.6	13%	0.127	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-57.3	-21.3	-179.2	-63.5	0	0	0	0	114.3	P366 L369 D370 Y374 K378 T379	P366-V376 HydrophobicContact CB-CB 4.46Å; P366-V376 HydrophobicContact CB-CG1 4.09Å; P366-V376 VanDerWaalsContact O-CG1 3.24Å; P366-V376 WeakPolarHBondContact O-CG1 3.4Å; L369-V376 HydrophobicContact CB-CG1 4.01Å; D370-V376 HydrophobicContact CB-CG1 4.15Å; Y374-V376 PolarHBondContact O-N 3Å; V376-K378 PolarHBondContact O-N 2.8Å; V376-T379 WeakPolarHBondContact O-CB 3.13Å; V376-T379 PolarHBondContact O-N 2.83Å; V376-T379 VanDerWaalsContact O-N 3.1Å; V376-T379 PolarHBondContact O-OG1 3.35Å
377	N	91.6	Very high	96.1	Very high	97 Å²	97	35.3 Å²	35.3	52%	0.519	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-71	-13.9	176.3	-64.6	-26.9	0	0	0	113.1	N375 T379	N375-N377 PolarHBondContact O-N 3.44Å; N375-N377 WeakPolarHBondContact OD1-CB 3.43Å; N375-N377 PolarHBondContact OD1-N 3.34Å; N377-T379 VanDerWaalsContact C-N 3.26Å
378	K	92.1	Very high	95.9	Very high	161 Å²	161	37 Å²	37	70%	0.7	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-81.6	-5.7	171.7	-63.1	-172.9	174.9	-175	0	113.2	Y374 N375 V376	Y374-K378 HydrophobicContact CE1-CB 4.21Å; N375-K378 HydrophobicContact CB-CD 4.35Å; N375-K378 HydrophobicContact CB-CG 4.26Å; N375-K378 WeakPolarHBondContact O-CB 3.4Å; N375-K378 PolarHBondContact O-N 2.98Å; V376-K378 PolarHBondContact O-N 2.8Å
379	T	94.6	Very high	95.8	Very high	16 Å²	16	37.5 Å²	37.5	10%	0.098	20%	0.203	C	C	.	.	S	Bend	trans	-95.7	163.7	178.2	75.3	0	0	0	0	111	L125 L369 Y374 V376 N377 M381	L125-T379 HydrophobicContact CD1-CG2 3.91Å; L369-T379 HydrophobicContact CD1-CG2 3.99Å; Y374-T379 HydrophobicContact CD1-CG2 4.25Å; Y374-T379 HydrophobicContact CE1-CG2 3.67Å; V376-T379 WeakPolarHBondContact O-CB 3.13Å; V376-T379 PolarHBondContact O-N 2.83Å; V376-T379 VanDerWaalsContact O-N 3.1Å; V376-T379 PolarHBondContact O-OG1 3.35Å; N377-T379 VanDerWaalsContact C-N 3.26Å; T379-M381 VanDerWaalsContact C-N 3.34Å; T379-M381 HydrophobicContact CG2-SD 4.43Å; T379-M381 WeakPolarHBondContact OG1-CB 3.42Å; T379-M381 WeakPolarHBondContact OG1-CG 3.41Å; T379-M381 PolarHBondContact OG1-N 3.35Å
380	Q	95.4	Very high	95.7	Very high	127 Å²	127	37.9 Å²	37.9	59%	0.593	21%	0.205	S	C	*	.			trans	-99.3	28.4	168.2	-61.5	-179.1	2.5	0	0	111.7	K92	K92-Q380 VanDerWaalsContact CE-O 3.24Å; K92-Q380 WeakPolarHBondContact CE-O 3.41Å
381	M	98.1	Very high	95.5	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	20%	0.203	C	C	.	.			trans	-72	138.1	178.1	-63.9	-176.5	166.3	0	0	110.3	T90 G91 F122 L125 P366 L369 T379 G506 R510	T90-M381 WeakPolarHBondContact O-CG 3.43Å; G91-M381 CarbonylContact O-C 3.59Å; F122-M381 HydrophobicContact CB-CE 3.79Å; L125-M381 HydrophobicContact CD1-CE 4.03Å; P366-M381 HydrophobicContact CB-SD 4.03Å; P366-M381 VanDerWaalsContact CD-SD 3.6Å; P366-M381 HydrophobicContact CG-SD 4.29Å; L369-M381 HydrophobicContact CD1-CE 3.63Å; L369-M381 HydrophobicContact CD1-SD 3.84Å; T379-M381 VanDerWaalsContact C-N 3.34Å; T379-M381 HydrophobicContact CG2-SD 4.43Å; T379-M381 WeakPolarHBondContact OG1-CB 3.42Å; T379-M381 WeakPolarHBondContact OG1-CG 3.41Å; T379-M381 PolarHBondContact OG1-N 3.35Å; M381-G506 WeakPolarHBondContact O-CA 3.48Å; M381-R510 PolarHBondContact O-NH2 3.04Å
382	D	98.4	Very high	95.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.011	23%	0.234	C	C	.	.	S	Bend	trans	-78.5	-36.5	177.5	-59.4	-23.1	0	0	0	110.9	G91 K92 Y93 N96 G506 C509 R510	G91-D382 PolarHBondContact O-N 3.4Å; K92-D382 WeakPolarHBondContact CA-OD2 3.35Å; K92-D382 WeakPolarHBondContact CB-OD2 3.31Å; Y93-D382 HydrophobicContact CD2-CB 3.67Å; Y93-D382 HydrophobicContact CE2-CB 4Å; Y93-D382 PolarHBondContact N-OD2 3.02Å; N96-D382 VanDerWaalsContact ND2-CG 3.31Å; N96-D382 PolarHBondContact ND2-OD1 2.86Å; N96-D382 PolarHBondContact ND2-OD2 3.14Å; D382-G506 WeakPolarHBondContact OD1-CA 3.22Å; D382-G506 PolarHBondContact OD1-N 3.21Å; D382-C509 HydrophobicContact CB-CB 3.85Å; D382-C509 VanDerWaalsContact CG-SG 3.59Å; D382-R510 WeakPolarHBondContact O-CG 3.35Å
383	G	97.5	Very high	95	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	27%	0.265	C	S	.	.	S	Bend	trans	-67.1	173.6	179.4	0	0	0	0	0	114.6	G91 D363 R510	G91-G383 PolarHBondContact O-N 2.86Å; G91-G383 VanDerWaalsContact O-N 3.08Å; D363-G383 VanDerWaalsContact OD1-CA 3.26Å; D363-G383 WeakPolarHBondContact OD1-CA 3.11Å; G383-R510 PolarHBondContact O-NE 2.8Å; G383-R510 PolarHBondContact O-NH2 3.5Å
384	M	95.9	Very high	94.7	Very high	41 Å²	41	46.9 Å²	46.9	20%	0.202	25%	0.248	C	C	.	.			trans	-124	144.4	-177.9	-63.9	177.8	64.9	0	0	110.8	D363 F386 W399 R510	D363-M384 WeakPolarHBondContact CB-O 3.38Å; D363-M384 PolarHBondContact OD1-N 3.23Å; M384-F386 PolarHBondContact O-N 3.41Å; M384-W399 HydrophobicContact CB-CH2 3.52Å; M384-W399 HydrophobicContact CB-CZ2 4.34Å; M384-W399 HydrophobicContact CB-CZ3 3.92Å; M384-W399 HydrophobicContact CE-CE3 4.25Å; M384-W399 HydrophobicContact CE-CZ3 3.97Å; M384-R510 HydrophobicContact CG-CB 3.9Å; M384-R510 HydrophobicContact CG-CG 3.59Å; M384-R510 HydrophobicContact SD-CB 3.76Å; M384-R510 HydrophobicContact SD-CG 4.15Å
385	S	97.5	Very high	94.2	Very high	18 Å²	18	49.1 Å²	49.1	13%	0.126	26%	0.263	C	S	.	.			trans	-66.8	125.3	171.3	174.8	0	0	0	0	110.6	T367 D370 L387 W399	T367-S385 WeakPolarHBondContact OG1-CA 3.38Å; D370-S385 WeakPolarHBondContact CB-OG 3.38Å; D370-S385 VanDerWaalsContact OD2-CB 3.24Å; D370-S385 WeakPolarHBondContact OD2-CB 3.39Å; D370-S385 PolarHBondContact OD2-OG 2.88Å; S385-L387 WeakPolarHBondContact OG-CB 3.41Å; S385-L387 PolarHBondContact OG-N 2.49Å; S385-W399 WeakPolarHBondContact O-CH2 3.41Å; S385-W399 VanDerWaalsContact O-CZ3 3.31Å; S385-W399 WeakPolarHBondContact O-CZ3 3.27Å
386	F	97.8	Very high	93.6	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	26%	0.263	C	S	.	.			trans	-96.4	10.3	171.4	61.6	-101.3	0	0	0	112.9	F71 F312 L342 V359 D363 L364 T367 M384 P388 I389 M390 W399	F71-F386 HydrophobicContact CE1-CD2 4.35Å; F71-F386 HydrophobicContact CE2-CD2 4.19Å; F71-F386 HydrophobicContact CE2-CE2 4.14Å; F71-F386 AromaticContact CZ-CD2 3.71Å; F71-F386 HydrophobicContact CZ-CD2 3.71Å; F71-F386 HydrophobicContact CZ-CE2 4.13Å; F71-F386 HydrophobicContact CZ-CG 4.5Å; F312-F386 HydrophobicContact CD1-CZ 4.31Å; F312-F386 AromaticContact CE1-CE2 3.81Å; F312-F386 HydrophobicContact CE1-CE2 3.81Å; F312-F386 AromaticContact CE1-CZ 3.79Å; F312-F386 HydrophobicContact CE1-CZ 3.79Å; L342-F386 HydrophobicContact CD2-CE2 4.48Å; L342-F386 HydrophobicContact CD2-CZ 4.13Å; V359-F386 HydrophobicContact CB-CD1 4.49Å; V359-F386 HydrophobicContact CG1-CB 4.12Å; V359-F386 HydrophobicContact CG1-CD1 4.22Å; V359-F386 HydrophobicContact CG1-CG 4.2Å; D363-F386 HydrophobicContact CB-CD1 3.67Å; D363-F386 HydrophobicContact CB-CE1 3.98Å; L364-F386 HydrophobicContact CD2-CE1 4.18Å; L364-F386 HydrophobicContact CD2-CZ 4Å; T367-F386 HydrophobicContact CG2-CD1 4.31Å; T367-F386 HydrophobicContact CG2-CD2 4.03Å; T367-F386 HydrophobicContact CG2-CE1 4.17Å; T367-F386 HydrophobicContact CG2-CE2 3.9Å; T367-F386 HydrophobicContact CG2-CG 4.23Å; T367-F386 HydrophobicContact CG2-CZ 3.96Å; T367-F386 WeakPolarHBondContact OG1-CD1 3.43Å; T367-F386 VanDerWaalsContact OG1-CE1 3.29Å; T367-F386 WeakPolarHBondContact OG1-CE1 3.25Å; T367-F386 PolarHBondContact OG1-N 3.46Å; M384-F386 PolarHBondContact O-N 3.41Å; F386-P388 VanDerWaalsContact C-CD 3.43Å; F386-P388 VanDerWaalsContact C-N 3.3Å; F386-I389 HydrophobicContact CB-CD1 3.88Å; F386-I389 HydrophobicContact CB-CG1 4.5Å; F386-I389 WeakPolarHBondContact O-CB 3.49Å; F386-I389 PolarHBondContact O-N 2.77Å; F386-M390 HydrophobicContact CD2-CE 3.88Å; F386-M390 HydrophobicContact CD2-CG 3.98Å; F386-M390 HydrophobicContact CD2-SD 3.93Å; F386-M390 HydrophobicContact CE2-CE 3.81Å; F386-M390 HydrophobicContact CE2-CG 4.32Å; F386-M390 HydrophobicContact CE2-SD 3.7Å; F386-M390 PolarHBondContact O-N 3.19Å; F386-W399 HydrophobicContact CB-CH2 3.88Å; F386-W399 HydrophobicContact CB-CZ2 4.09Å
387	L	97.3	Very high	92.9	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-51.7	-42.3	171.8	178.2	62.1	0	0	0	113	Y310 T367 I371 S385 I389 M390 Q391	Y310-L387 HydrophobicContact CE1-CD1 4.04Å; T367-L387 HydrophobicContact CG2-CB 4.29Å; I371-L387 HydrophobicContact CD1-CD1 4.35Å; I371-L387 HydrophobicContact CG1-CD1 3.81Å; I371-L387 HydrophobicContact CG1-CD2 3.84Å; I371-L387 HydrophobicContact CG1-CG 4.26Å; S385-L387 WeakPolarHBondContact OG-CB 3.41Å; S385-L387 PolarHBondContact OG-N 2.49Å; L387-I389 PolarHBondContact O-N 3.33Å; L387-M390 HydrophobicContact CB-CE 4.25Å; L387-M390 HydrophobicContact CD1-CE 3.82Å; L387-M390 PolarHBondContact O-N 3.16Å; L387-M390 VanDerWaalsContact O-N 3.17Å; L387-Q391 HydrophobicContact CD1-CG 4.13Å; L387-Q391 HydrophobicContact CG-CG 4.5Å; L387-Q391 WeakPolarHBondContact O-CG 3.09Å; L387-Q391 PolarHBondContact O-N 2.86Å; L387-Q391 VanDerWaalsContact O-N 3.09Å
388	P	95.6	Very high	92.6	Very high	37 Å²	37	48.9 Å²	48.9	24%	0.24	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-28.1	176	-25.5	37	0	0	0	114.2	F386 G392 K393 V394	F386-P388 VanDerWaalsContact C-CD 3.43Å; F386-P388 VanDerWaalsContact C-N 3.3Å; P388-G392 PolarHBondContact O-N 3.44Å; P388-K393 HydrophobicContact CB-CB 4.29Å; P388-K393 PolarHBondContact O-N 3.18Å; P388-V394 HydrophobicContact CB-CB 3.99Å; P388-V394 HydrophobicContact CB-CG2 3.42Å; P388-V394 VanDerWaalsContact CB-CG2 3.42Å; P388-V394 HydrophobicContact CG-CG2 4.43Å; P388-V394 PolarHBondContact O-N 2.68Å
389	I	96.3	Very high	92.6	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-47.7	174.3	-62.6	167.8	0	0	0	109.4	F71 M357 F386 L387 Q391 G392 V394 W399	F71-I389 HydrophobicContact CE1-CB 4.44Å; F71-I389 HydrophobicContact CE1-CG2 3.83Å; F71-I389 HydrophobicContact CZ-CG2 4.15Å; M357-I389 HydrophobicContact CB-CD1 4.2Å; M357-I389 HydrophobicContact CE-CG2 4.38Å; M357-I389 HydrophobicContact SD-CD1 3.83Å; M357-I389 HydrophobicContact SD-CG1 3.81Å; M357-I389 HydrophobicContact SD-CG2 4.04Å; F386-I389 HydrophobicContact CB-CD1 3.88Å; F386-I389 HydrophobicContact CB-CG1 4.5Å; F386-I389 WeakPolarHBondContact O-CB 3.49Å; F386-I389 PolarHBondContact O-N 2.77Å; L387-I389 PolarHBondContact O-N 3.33Å; I389-Q391 PolarHBondContact O-N 3.02Å; I389-G392 PolarHBondContact O-N 2.91Å; I389-V394 HydrophobicContact CG1-CB 4.19Å; I389-V394 HydrophobicContact CG1-CG1 3.86Å; I389-W399 HydrophobicContact CD1-CD2 3.45Å; I389-W399 VanDerWaalsContact CD1-CD2 3.45Å; I389-W399 HydrophobicContact CD1-CE3 3.79Å; I389-W399 HydrophobicContact CD1-CG 3.84Å; I389-W399 HydrophobicContact CD1-CH2 4.21Å; I389-W399 HydrophobicContact CD1-CZ2 3.93Å; I389-W399 HydrophobicContact CD1-CZ3 4.15Å; I389-W399 HydrophobicContact CG1-CD2 4.41Å; I389-W399 HydrophobicContact CG1-CE3 4.4Å
390	M	96.2	Very high	92.5	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.039	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-29.4	179.6	-61.2	-169.8	-72.9	0	0	113	I69 F71 F312 V344 I349 T367 I371 F386 L387	I69-M390 HydrophobicContact CG2-CG 4.1Å; I69-M390 HydrophobicContact CG2-SD 4.46Å; F71-M390 HydrophobicContact CE2-CG 4.01Å; F71-M390 HydrophobicContact CE2-SD 4.39Å; F71-M390 HydrophobicContact CZ-CG 3.77Å; F312-M390 HydrophobicContact CE1-CE 4.17Å; F312-M390 HydrophobicContact CE1-SD 4.25Å; F312-M390 HydrophobicContact CZ-CE 4.05Å; V344-M390 HydrophobicContact CB-SD 3.87Å; V344-M390 HydrophobicContact CG1-SD 3.56Å; V344-M390 VanDerWaalsContact CG1-SD 3.56Å; V344-M390 HydrophobicContact CG2-SD 4.05Å; I349-M390 HydrophobicContact CD1-CB 3.86Å; I349-M390 HydrophobicContact CD1-CG 4.32Å; I349-M390 HydrophobicContact CD1-SD 3.86Å; I349-M390 HydrophobicContact CG1-CB 4.07Å; T367-M390 HydrophobicContact CG2-CE 3.75Å; I371-M390 HydrophobicContact CD1-CE 4.27Å; F386-M390 HydrophobicContact CD2-CE 3.88Å; F386-M390 HydrophobicContact CD2-CG 3.98Å; F386-M390 HydrophobicContact CD2-SD 3.93Å; F386-M390 HydrophobicContact CE2-CE 3.81Å; F386-M390 HydrophobicContact CE2-CG 4.32Å; F386-M390 HydrophobicContact CE2-SD 3.7Å; F386-M390 PolarHBondContact O-N 3.19Å; L387-M390 HydrophobicContact CB-CE 4.25Å; L387-M390 HydrophobicContact CD1-CE 3.82Å; L387-M390 PolarHBondContact O-N 3.16Å; L387-M390 VanDerWaalsContact O-N 3.17Å
391	Q	92.8	Very high	92.4	Very high	52 Å²	52	35.8 Å²	35.8	24%	0.243	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.6	177.3	-65.3	-179.9	-7.8	0	0	113.8	L387 I389 K393	L387-Q391 HydrophobicContact CD1-CG 4.13Å; L387-Q391 HydrophobicContact CG-CG 4.5Å; L387-Q391 WeakPolarHBondContact O-CG 3.09Å; L387-Q391 PolarHBondContact O-N 2.86Å; L387-Q391 VanDerWaalsContact O-N 3.09Å; I389-Q391 PolarHBondContact O-N 3.02Å; Q391-K393 VanDerWaalsContact C-N 3.27Å; Q391-K393 HydrophobicContact CB-CD 4.13Å; Q391-K393 HydrophobicContact CB-CG 4.11Å; Q391-K393 PolarHBondContact O-N 3.24Å; Q391-K393 VanDerWaalsContact OE1-CE 3.32Å
392	G	91.6	Very high	92.3	Very high	68 Å²	68	35.7 Å²	35.7	70%	0.701	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	22.8	-178.2	0	0	0	0	0	114.6	P388 I389	P388-G392 PolarHBondContact O-N 3.44Å; I389-G392 PolarHBondContact O-N 2.91Å
393	K	90.9	Very high	92.3	Very high	155 Å²	155	35.6 Å²	35.6	67%	0.674	21%	0.214	S	C	*	.			trans	-93.7	-16.5	-178.8	-66.4	177.4	179	167.9	0	113.6	P388 Q391	P388-K393 HydrophobicContact CB-CB 4.29Å; P388-K393 PolarHBondContact O-N 3.18Å; Q391-K393 VanDerWaalsContact C-N 3.27Å; Q391-K393 HydrophobicContact CB-CD 4.13Å; Q391-K393 HydrophobicContact CB-CG 4.11Å; Q391-K393 PolarHBondContact O-N 3.24Å; Q391-K393 VanDerWaalsContact OE1-CE 3.32Å
394	V	87.8	Confident	92.3	Very high	36 Å²	36	35.5 Å²	35.5	22%	0.218	21%	0.214	C	C	.	.			trans	-120.8	145.8	179.6	160.2	0	0	0	0	109.1	P388 I389 S398 W399	P388-V394 HydrophobicContact CB-CB 3.99Å; P388-V394 HydrophobicContact CB-CG2 3.42Å; P388-V394 VanDerWaalsContact CB-CG2 3.42Å; P388-V394 HydrophobicContact CG-CG2 4.43Å; P388-V394 PolarHBondContact O-N 2.68Å; I389-V394 HydrophobicContact CG1-CB 4.19Å; I389-V394 HydrophobicContact CG1-CG1 3.86Å; V394-S398 WeakPolarHBondContact CG1-OG 3.38Å; V394-W399 HydrophobicContact CG1-CB 4.06Å; V394-W399 HydrophobicContact CG1-CE3 4.33Å
395	N	84.1	Confident	92.4	Very high	84 Å²	84	33.6 Å²	33.6	45%	0.449	20%	0.204	S	C	.	.			trans	-123.9	177.1	175.4	66.5	41.2	0	0	0	109.9	M357 S397 S398 W399	M357-N395 VanDerWaalsContact CE-CA 3.47Å; N395-S397 PolarHBondContact O-N 2.84Å; N395-S397 VanDerWaalsContact O-N 3.12Å; N395-S397 WeakPolarHBondContact OD1-CA 3.42Å; N395-S397 VanDerWaalsContact OD1-CB 3.32Å; N395-S397 WeakPolarHBondContact OD1-CB 3.43Å; N395-S397 PolarHBondContact OD1-N 3.15Å; N395-S397 PolarHBondContact OD1-OG 3.33Å; N395-S398 PolarHBondContact N-OG 2.94Å; N395-S398 PolarHBondContact O-N 3.32Å; N395-S398 PolarHBondContact O-OG 2.92Å; N395-W399 PolarHBondContact O-N 3.09Å
396	S	79.8	Confident	92.5	Very high	61 Å²	61	33.7 Å²	33.7	43%	0.427	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.4	-178.2	51.7	0	0	0	0	114	S398	S396-S398 VanDerWaalsContact C-N 3.32Å
397	S	80.4	Confident	92.5	Very high	75 Å²	75	34 Å²	34	52%	0.524	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.5	177.3	76.7	0	0	0	0	113.9	N395 R518	N395-S397 PolarHBondContact O-N 2.84Å; N395-S397 VanDerWaalsContact O-N 3.12Å; N395-S397 WeakPolarHBondContact OD1-CA 3.42Å; N395-S397 VanDerWaalsContact OD1-CB 3.32Å; N395-S397 WeakPolarHBondContact OD1-CB 3.43Å; N395-S397 PolarHBondContact OD1-N 3.15Å; N395-S397 PolarHBondContact OD1-OG 3.33Å; S397-R518 WeakPolarHBondContact O-CD 2.88Å; S397-R518 PolarHBondContact O-NE 2.8Å; S397-R518 PolarHBondContact O-NH1 3.16Å; S397-R518 PolarHBondContact O-NH2 3.36Å
398	S	84.3	Confident	92.5	Very high	56 Å²	56	37.2 Å²	37.2	39%	0.392	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-19.2	178.1	51.4	0	0	0	0	113.6	V394 N395 S396 R518	V394-S398 WeakPolarHBondContact CG1-OG 3.38Å; N395-S398 PolarHBondContact N-OG 2.94Å; N395-S398 PolarHBondContact O-N 3.32Å; N395-S398 PolarHBondContact O-OG 2.92Å; S396-S398 VanDerWaalsContact C-N 3.32Å; S398-R518 VanDerWaalsContact CA-NH1 3.33Å; S398-R518 PolarHBondContact O-NH1 3.05Å
399	W	92.6	Very high	92.6	Very high	11 Å²	11	36 Å²	36	4%	0.042	21%	0.212	C	C	.	.	S	Bend	trans	-84.4	165.7	177.3	-165.6	-113.6	0	0	0	113.5	M357 P358 V359 M384 S385 F386 I389 V394 N395 R518	M357-W399 HydrophobicContact SD-CB 4.04Å; M357-W399 HydrophobicContact SD-CG 4.33Å; P358-W399 PolarHBondContact O-NE1 2.72Å; V359-W399 HydrophobicContact CG1-CZ2 4.33Å; M384-W399 HydrophobicContact CB-CH2 3.52Å; M384-W399 HydrophobicContact CB-CZ2 4.34Å; M384-W399 HydrophobicContact CB-CZ3 3.92Å; M384-W399 HydrophobicContact CE-CE3 4.25Å; M384-W399 HydrophobicContact CE-CZ3 3.97Å; S385-W399 WeakPolarHBondContact O-CH2 3.41Å; S385-W399 VanDerWaalsContact O-CZ3 3.31Å; S385-W399 WeakPolarHBondContact O-CZ3 3.27Å; F386-W399 HydrophobicContact CB-CH2 3.88Å; F386-W399 HydrophobicContact CB-CZ2 4.09Å; I389-W399 HydrophobicContact CD1-CD2 3.45Å; I389-W399 VanDerWaalsContact CD1-CD2 3.45Å; I389-W399 HydrophobicContact CD1-CE3 3.79Å; I389-W399 HydrophobicContact CD1-CG 3.84Å; I389-W399 HydrophobicContact CD1-CH2 4.21Å; I389-W399 HydrophobicContact CD1-CZ2 3.93Å; I389-W399 HydrophobicContact CD1-CZ3 4.15Å; I389-W399 HydrophobicContact CG1-CD2 4.41Å; I389-W399 HydrophobicContact CG1-CE3 4.4Å; V394-W399 HydrophobicContact CG1-CB 4.06Å; V394-W399 HydrophobicContact CG1-CE3 4.33Å; N395-W399 PolarHBondContact O-N 3.09Å; W399-R518 PolarHBondContact O-NH2 2.88Å
400	R	92.1	Very high	92.4	Very high	12 Å²	12	37 Å²	37	5%	0.045	22%	0.217	C	C	.	.			trans	-74.5	156.4	174.6	67.2	-174	-178.6	124.4	-10.6	111.3	Y93 P358 A360 D363 D402 I403	Y93-R400 PolarHBondContact OH-NH1 3.25Å; Y93-R400 VanDerWaalsContact OH-NH1 3.11Å; P358-R400 WeakPolarHBondContact CG-O 3.36Å; A360-R400 VanDerWaalsContact CB-NH2 3.34Å; D363-R400 VanDerWaalsContact CG-NH2 3.28Å; D363-R400 IonicContact OD1-CZ 2.85Å; D363-R400 IonicContact OD1-NH2 3.66Å; D363-R400 PolarHBondContact OD1-NH2 3.24Å; D363-R400 IonicContact OD2-CZ 2.95Å; D363-R400 IonicContact OD2-NE 3.8Å; D363-R400 IonicContact OD2-NH2 3.99Å; D363-R400 PolarHBondContact OD2-NH2 2.95Å; R400-D402 PolarHBondContact NH1-O 3.14Å; R400-I403 VanDerWaalsContact NH2-CD1 3.29Å
401	T	94.4	Very high	92	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.037	22%	0.223	C	C	.	.			trans	-111.8	-13.9	176.7	58	0	0	0	0	113.6	T448 V449 A450 G513	T401-T448 CarbonylContact O-C 3.58Å; T401-T448 WeakPolarHBondContact O-CA 3.3Å; T401-V449 PolarHBondContact O-N 2.98Å; T401-A450 HydrophobicContact CG2-CB 3.67Å; T401-G513 VanDerWaalsContact OG1-CA 3.31Å; T401-G513 WeakPolarHBondContact OG1-CA 3.39Å
402	D	95.5	Very high	91.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.4	-172.9	-60.7	-13.1	0	0	0	111.2	R400 V446 R447 T448 R497 L501 G513 V514	R400-D402 PolarHBondContact NH1-O 3.14Å; D402-V446 HydrophobicContact CB-CG1 3.83Å; D402-R447 WeakPolarHBondContact CA-O 3.32Å; D402-T448 WeakPolarHBondContact OD1-CB 3.22Å; D402-T448 WeakPolarHBondContact OD1-CG2 3.36Å; D402-T448 PolarHBondContact OD1-OG1 3.44Å; D402-R497 WeakPolarHBondContact OD2-CG 3.02Å; D402-R497 IonicContact OD2-CZ 3.92Å; D402-R497 IonicContact OD2-NE 2.61Å; D402-R497 PolarHBondContact OD2-NE 2.97Å; D402-R497 IonicContact OD2-NH2 3.73Å; D402-L501 HydrophobicContact CB-CD1 4.28Å; D402-G513 VanDerWaalsContact CG-CA 3.45Å; D402-G513 WeakPolarHBondContact OD2-CA 3.33Å; D402-V514 PolarHBondContact OD2-N 3.41Å; D402-V514 VanDerWaalsContact OD2-N 3.11Å
403	I	97.1	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.6	172.4	-47.9	-61	0	0	0	108.7	F75 P358 A360 R400 V446 R447	F75-I403 HydrophobicContact CB-CG2 4.15Å; F75-I403 HydrophobicContact CD2-CG1 3.89Å; P358-I403 HydrophobicContact CB-CD1 3.91Å; P358-I403 HydrophobicContact CB-CG1 3.99Å; A360-I403 HydrophobicContact CB-CD1 4.16Å; A360-I403 HydrophobicContact CB-CG2 3.7Å; R400-I403 VanDerWaalsContact NH2-CD1 3.29Å; I403-V446 WeakPolarHBondContact O-CA 3.36Å; I403-R447 HydrophobicContact CB-CB 4.32Å; I403-R447 PolarHBondContact N-O 2.82Å; I403-R447 PolarHBondContact O-N 3.22Å
404	L	98.6	Very high	91	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.4	169.6	179.3	68.2	0	0	0	109.7	Y93 E406 A444 C445 L498 L501 Q502	Y93-L404 HydrophobicContact CD1-CB 4.03Å; Y93-L404 HydrophobicContact CD1-CD2 4.09Å; Y93-L404 HydrophobicContact CD1-CG 4.32Å; Y93-L404 HydrophobicContact CE1-CB 3.7Å; Y93-L404 HydrophobicContact CE1-CG 4.47Å; Y93-L404 VanDerWaalsContact CE1-O 3.28Å; Y93-L404 WeakPolarHBondContact CE1-O 3.5Å; Y93-L404 HydrophobicContact CG-CD2 4.09Å; L404-E406 HydrophobicContact CD1-CG 4.12Å; L404-E406 HydrophobicContact CD2-CG 3.9Å; L404-E406 HydrophobicContact CG-CG 3.84Å; L404-A444 HydrophobicContact CD1-CB 4.47Å; L404-C445 WeakPolarHBondContact CA-O 3.4Å; L404-L498 HydrophobicContact CD1-CD1 3.79Å; L404-L501 HydrophobicContact CB-CB 4.18Å; L404-L501 HydrophobicContact CB-CD1 4.31Å; L404-L501 HydrophobicContact CD1-CB 4.09Å; L404-L501 HydrophobicContact CD2-CB 4.18Å; L404-L501 HydrophobicContact CG-CB 4.38Å; L404-Q502 HydrophobicContact CD1-CG 4.05Å
405	V	98.7	Very high	90.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.6	167.3	-173.7	0	0	0	0	108	A77 I338 A444 C445	A77-V405 CarbonylContact O-C 3.31Å; A77-V405 WeakPolarHBondContact O-CA 3.12Å; I338-V405 HydrophobicContact CD1-CG2 4.11Å; I338-V405 HydrophobicContact CG2-CG1 3.86Å; V405-A444 CarbonylContact O-C 3.24Å; V405-A444 VanDerWaalsContact O-CA 3.29Å; V405-A444 WeakPolarHBondContact O-CA 3.43Å; V405-C445 HydrophobicContact CB-CB 4.24Å; V405-C445 PolarHBondContact N-O 3.3Å; V405-C445 PolarHBondContact O-N 3.19Å
406	E	98.7	Very high	90.4	Very high	20 Å²	20	36.6 Å²	36.6	9%	0.093	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.8	-179.8	-62.1	177.2	118.3	0	0	110.7	A77 S78 P94 H95 L404 A444	A77-E406 PolarHBondContact O-N 3Å; S78-E406 VanDerWaalsContact CA-O 3.32Å; S78-E406 WeakPolarHBondContact CA-O 3.29Å; S78-E406 WeakPolarHBondContact CB-O 3.44Å; S78-E406 PolarHBondContact OG-O 3.24Å; P94-E406 HydrophobicContact CB-CB 4.25Å; P94-E406 WeakPolarHBondContact CD-OE2 3.47Å; P94-E406 HydrophobicContact CG-CB 4.12Å; H95-E406 IonicContact CE1-OE2 2.95Å; H95-E406 IonicContact CG-OE1 3.18Å; H95-E406 IonicContact CG-OE2 3.31Å; H95-E406 PolarHBondContact N-OE2 3.4Å; H95-E406 VanDerWaalsContact ND1-CD 3.26Å; H95-E406 IonicContact ND1-OE1 3.66Å; H95-E406 PolarHBondContact ND1-OE1 3.23Å; H95-E406 IonicContact ND1-OE2 3.58Å; H95-E406 PolarHBondContact ND1-OE2 2.93Å; L404-E406 HydrophobicContact CD1-CG 4.12Å; L404-E406 HydrophobicContact CD2-CG 3.9Å; L404-E406 HydrophobicContact CG-CG 3.84Å; E406-A444 HydrophobicContact CG-CB 4.24Å
407	Y	98.5	Very high	90.2	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.2	174.7	-173.6	-112.8	0	0	0	110.8	P79 L80 R331 D437 N441 T442 Y443	P79-Y407 HydrophobicContact CG-CD2 4.43Å; L80-Y407 HydrophobicContact CB-CD2 4.41Å; L80-Y407 HydrophobicContact CB-CE2 4.01Å; L80-Y407 HydrophobicContact CD2-CE2 3.94Å; L80-Y407 HydrophobicContact CG-CE2 4.47Å; R331-Y407 HydrophobicContact CB-CD1 4.35Å; R331-Y407 HydrophobicContact CB-CD2 4.46Å; R331-Y407 HydrophobicContact CB-CE1 3.77Å; R331-Y407 HydrophobicContact CB-CE2 3.89Å; R331-Y407 WeakPolarHBondContact CD-OH 3.2Å; R331-Y407 HydrophobicContact CG-CE1 4.25Å; R331-Y407 HydrophobicContact CG-CE2 3.71Å; R331-Y407 VanDerWaalsContact CG-OH 3.27Å; R331-Y407 WeakPolarHBondContact CG-OH 3.47Å; R331-Y407 PolarHBondContact NE-OH 3.14Å; R331-Y407 VanDerWaalsContact NE-OH 3.15Å; Y407-D437 WeakPolarHBondContact CE1-OD1 3Å; Y407-D437 PolarHBondContact OH-OD2 3.3Å; Y407-N441 WeakPolarHBondContact CD1-O 2.98Å; Y407-N441 WeakPolarHBondContact CE1-O 3.36Å; Y407-T442 CarbonylContact O-C 3.53Å; Y407-T442 WeakPolarHBondContact O-CA 3.35Å; Y407-Y443 HydrophobicContact CD1-CD1 4.2Å; Y407-Y443 AromaticContact CD1-CE1 3.6Å; Y407-Y443 HydrophobicContact CD1-CE1 3.6Å; Y407-Y443 AromaticContact CG-CE1 3.92Å; Y407-Y443 HydrophobicContact CG-CE1 3.92Å; Y407-Y443 PolarHBondContact N-O 2.96Å; Y407-Y443 PolarHBondContact O-N 2.9Å
408	E	97.4	Very high	90	Very high	83 Å²	83	37.8 Å²	37.8	39%	0.388	22%	0.22	S	C	.	.			trans	-114	117.3	174.1	-173.3	168.6	164	0	0	108.4	I100	I100-E408 HydrophobicContact CB-CB 4.25Å; I100-E408 VanDerWaalsContact CB-OE2 3.23Å; I100-E408 WeakPolarHBondContact CB-OE2 3.4Å; I100-E408 VanDerWaalsContact CD1-CD 3.48Å; I100-E408 WeakPolarHBondContact CD1-OE1 3.47Å; I100-E408 VanDerWaalsContact CD1-OE2 3.29Å; I100-E408 WeakPolarHBondContact CD1-OE2 3.16Å; I100-E408 WeakPolarHBondContact CG2-OE2 3.43Å
409	G	95.9	Very high	90	Very high	10 Å²	10	35.3 Å²	35.3	10%	0.103	20%	0.203	C	C	.	.			trans	-69.5	140.2	-170.3	0	0	0	0	0	113.8	S438 T442	G409-S438 CarbonylContact C-O 3.5Å; G409-S438 VanDerWaalsContact C-O 3.24Å; G409-S438 WeakPolarHBondContact CA-O 3.25Å; G409-T442 PolarHBondContact N-OG1 3.26Å
410	E	93.5	Very high	89.2	Confident	31 Å²	31	38.8 Å²	38.8	15%	0.145	23%	0.227	C	C	.	.			trans	-104.1	127.6	179.4	-52.2	-178.6	94.5	0	0	110.5	N101 R331 S427 D437 S438	N101-E410 HydrophobicContact CB-CG 4.1Å; N101-E410 WeakPolarHBondContact CB-OE1 3.43Å; R331-E410 IonicContact CZ-OE2 3.79Å; R331-E410 IonicContact NE-OE2 2.65Å; R331-E410 PolarHBondContact NE-OE2 2.77Å; R331-E410 IonicContact NH2-OE2 3.78Å; R331-E410 PolarHBondContact NH2-OE2 3.21Å; E410-S427 PolarHBondContact O-OG 2.85Å; E410-D437 WeakPolarHBondContact CA-OD2 3.42Å; E410-D437 WeakPolarHBondContact CB-OD2 3.43Å; E410-D437 PolarHBondContact N-OD2 2.89Å; E410-D437 CarbonylContact O-C 3.52Å; E410-S438 PolarHBondContact N-O 3.29Å; E410-S438 CarbonylContact O-C 3.02Å; E410-S438 WeakPolarHBondContact O-CA 3.49Å; E410-S438 PolarHBondContact O-N 3.07Å
411	G	88.1	Confident	88.7	Confident	17 Å²	17	46.4 Å²	46.4	18%	0.175	27%	0.268	C	S	.	.			trans	-131.1	168.8	174.8	0	0	0	0	0	112.1	G425 Y439	G411-G425 WeakPolarHBondContact CA-O 3.4Å; G411-Y439 VanDerWaalsContact C-CE1 3.43Å; G411-Y439 VanDerWaalsContact CA-CE1 3.45Å; G411-Y439 VanDerWaalsContact N-CD1 3.32Å; G411-Y439 WeakPolarHBondContact O-CE1 3.5Å; G411-Y439 PolarHBondContact O-OH 3.06Å
412	R	84.5	Confident	87.9	Confident	91 Å²	91	49.6 Å²	49.6	34%	0.343	28%	0.284	S	S	.	.			trans	-108.4	138.6	171.4	-62.3	-176.5	-171.8	-153.9	8.7	110.8	V414 D416 G425 V426 Y439	R412-V414 CarbonylContact C-O 3.51Å; R412-V414 HydrophobicContact CB-CG2 4.4Å; R412-V414 WeakPolarHBondContact CB-O 3.42Å; R412-V414 PolarHBondContact O-N 3.07Å; R412-V414 VanDerWaalsContact O-N 3.14Å; R412-D416 IonicContact CZ-OD2 3.3Å; R412-D416 VanDerWaalsContact CZ-OD2 3.3Å; R412-D416 IonicContact NE-OD2 3.3Å; R412-D416 PolarHBondContact NE-OD2 3.39Å; R412-D416 IonicContact NH1-OD2 3.91Å; R412-D416 IonicContact NH2-OD2 2.85Å; R412-D416 PolarHBondContact NH2-OD2 3.19Å; R412-G425 PolarHBondContact O-N 3.49Å; R412-V426 PolarHBondContact N-O 2.87Å; R412-Y439 WeakPolarHBondContact CA-OH 3.29Å; R412-Y439 PolarHBondContact N-OH 3.38Å
413	N	85	Confident	87.1	Confident	141 Å²	141	50.7 Å²	50.7	75%	0.754	30%	0.296	S	S	*	.	S	Bend	trans	-69.4	-6.4	172.3	-73.3	-24.2	0	0	0	113.3	Y439	N413-Y439 PolarHBondContact N-OH 3.45Å; N413-Y439 VanDerWaalsContact N-OH 3.11Å; N413-Y439 PolarHBondContact OD1-OH 3.14Å
414	V	83.8	Confident	86.7	Confident	97 Å²	97	55 Å²	55	59%	0.588	32%	0.324	S	S	*	.	S	Bend	trans	-125.3	162.6	176.2	-63.7	0	0	0	0	108.3	R412	R412-V414 CarbonylContact C-O 3.51Å; R412-V414 HydrophobicContact CB-CG2 4.4Å; R412-V414 WeakPolarHBondContact CB-O 3.42Å; R412-V414 PolarHBondContact O-N 3.07Å; R412-V414 VanDerWaalsContact O-N 3.14Å
415	S	81.4	Confident	86.3	Confident	42 Å²	42	55.8 Å²	55.8	29%	0.294	33%	0.331	S	S	.	.			trans	-57.5	146.3	172.1	-52.6	0	0	0	0	111.1	P420	S415-P420 VanDerWaalsContact CB-O 3.25Å; S415-P420 WeakPolarHBondContact CB-O 3.44Å; S415-P420 PolarHBondContact OG-O 3.39Å
416	D	78.7	Confident	86	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.043	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-60.2	130.9	173.1	-167.8	-74	0	0	0	109.7	R412 A418 C419 C429	R412-D416 IonicContact CZ-OD2 3.3Å; R412-D416 VanDerWaalsContact CZ-OD2 3.3Å; R412-D416 IonicContact NE-OD2 3.3Å; R412-D416 PolarHBondContact NE-OD2 3.39Å; R412-D416 IonicContact NH1-OD2 3.91Å; R412-D416 IonicContact NH2-OD2 2.85Å; R412-D416 PolarHBondContact NH2-OD2 3.19Å; D416-A418 PolarHBondContact O-N 2.92Å; D416-A418 WeakPolarHBondContact OD1-CB 3.34Å; D416-A418 PolarHBondContact OD1-N 3.08Å; D416-C419 HydrophobicContact CB-CB 4.4Å; D416-C419 CarbonylContact O-C 3.59Å; D416-C419 WeakPolarHBondContact O-CA 3.17Å; D416-C419 PolarHBondContact O-N 3.41Å; D416-C429 HydrophobicContact CB-CB 4Å
417	P	74.4	Confident	85.7	Confident	99 Å²	99	55.7 Å²	55.7	64%	0.643	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.7	-178.6	-25.3	34.2	0	0	0	114
418	A	77.1	Confident	85.5	Confident	61 Å²	61	59.3 Å²	59.3	50%	0.504	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-24	175.2	0	0	0	0	0	111.5	D416 C429	D416-A418 PolarHBondContact O-N 2.92Å; D416-A418 WeakPolarHBondContact OD1-CB 3.34Å; D416-A418 PolarHBondContact OD1-N 3.08Å; A418-C429 WeakPolarHBondContact CB-O 3.4Å
419	C	83.7	Confident	85.2	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.027	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-141.5	65.7	-168.3	-62.9	0	0	0	0	112.6	D416 L421 L422 C429 C433	D416-C419 HydrophobicContact CB-CB 4.4Å; D416-C419 CarbonylContact O-C 3.59Å; D416-C419 WeakPolarHBondContact O-CA 3.17Å; D416-C419 PolarHBondContact O-N 3.41Å; C419-L421 PolarHBondContact O-N 2.64Å; C419-L422 HydrophobicContact CB-CD1 3.79Å; C419-L422 HydrophobicContact CB-CG 4.26Å; C419-L422 PolarHBondContact O-N 2.74Å; C419-L422 VanDerWaalsContact O-N 3.13Å; C419-C429 HydrophobicContact CB-CB 3.94Å; C419-C433 WeakPolarHBondContact CA-SG 3.25Å; C419-C433 HydrophobicContact CB-CB 3.65Å; C419-C433 WeakPolarHBondContact CB-SG 3.19Å; C419-C433 WeakPolarHBondContact SG-CA 3.23Å; C419-C433 WeakPolarHBondContact SG-CB 3.07Å; C419-C433 CovalentContact SG-SG 2.03Å; C419-C433 PolarHBondContact SG-SG 2.83Å
420	P	76.8	Confident	85	Confident	85 Å²	85	60.4 Å²	60.4	55%	0.552	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-63.7	-18.8	-170.1	24.4	-34.9	0	0	0	114.2	S415	S415-P420 VanDerWaalsContact CB-O 3.25Å; S415-P420 WeakPolarHBondContact CB-O 3.44Å; S415-P420 PolarHBondContact OG-O 3.39Å
421	L	81.4	Confident	84.9	Confident	172 Å²	172	59.5 Å²	59.5	90%	0.901	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-81	-14.2	-178.9	-60.3	179.6	0	0	0	114	C419 G423	C419-L421 PolarHBondContact O-N 2.64Å; L421-G423 PolarHBondContact O-N 2.89Å
422	L	76.4	Confident	85	Confident	73 Å²	73	62 Å²	62	38%	0.382	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-80.9	4.5	-174.5	-73.7	177.4	0	0	0	114.9	C419 V426 C433 C435	C419-L422 HydrophobicContact CB-CD1 3.79Å; C419-L422 HydrophobicContact CB-CG 4.26Å; C419-L422 PolarHBondContact O-N 2.74Å; C419-L422 VanDerWaalsContact O-N 3.13Å; L422-V426 HydrophobicContact CB-CG2 4.11Å; L422-C433 HydrophobicContact CD1-CB 3.94Å; L422-C433 WeakPolarHBondContact CD1-O 3.27Å; L422-C435 WeakPolarHBondContact CD1-SG 3.47Å
423	G	80.1	Confident	85.4	Confident	24 Å²	24	60 Å²	60	25%	0.247	36%	0.356	C	S	.	.			trans	65.2	177.4	-176.9	0	0	0	0	0	112.7	L421	L421-G423 PolarHBondContact O-N 2.89Å
424	P	88.1	Confident	85.8	Confident	90 Å²	90	53.5 Å²	53.5	58%	0.584	32%	0.322	S	S	*	.	S	Bend	trans	-74.7	165.3	176	33.4	-35.7	0	0	0	111.5
425	G	90.1	Very high	86.3	Confident	16 Å²	16	49 Å²	49	17%	0.165	30%	0.295	C	S	.	.	S	Bend	trans	101.5	-10.5	170	0	0	0	0	0	115.3	G411 R412 S438 Y439	G411-G425 WeakPolarHBondContact CA-O 3.4Å; R412-G425 PolarHBondContact O-N 3.49Å; G425-S438 CarbonylContact O-C 3.4Å; G425-S438 WeakPolarHBondContact O-CA 3.1Å; G425-S438 VanDerWaalsContact O-CB 3.29Å; G425-S438 WeakPolarHBondContact O-CB 3.04Å; G425-Y439 PolarHBondContact O-N 3.17Å
426	V	92.8	Very high	87	Confident	11 Å²	11	47 Å²	47	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	159.4	174.9	-66.4	0	0	0	0	111.7	W258 R412 L422 C435 D437	W258-V426 HydrophobicContact CH2-CG1 3.85Å; R412-V426 PolarHBondContact N-O 2.87Å; L422-V426 HydrophobicContact CB-CG2 4.11Å; V426-C435 HydrophobicContact CB-CB 3.99Å; V426-C435 HydrophobicContact CG1-CB 4.36Å; V426-D437 CarbonylContact C-O 3.49Å; V426-D437 WeakPolarHBondContact CA-O 3.09Å
427	S	93.1	Very high	87.8	Confident	8 Å²	8	46.7 Å²	46.7	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	172.3	171.8	76.2	0	0	0	0	111.9	E410 C429 E436 D437	E410-S427 PolarHBondContact O-OG 2.85Å; S427-C429 VanDerWaalsContact C-N 3.33Å; S427-C429 PolarHBondContact O-N 3.34Å; S427-E436 PolarHBondContact O-N 2.95Å; S427-D437 PolarHBondContact N-O 3.41Å; S427-D437 PolarHBondContact O-N 2.97Å
428	E	92.4	Very high	88.7	Confident	83 Å²	83	42 Å²	42	39%	0.388	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	47.1	-178.6	-54	-61.8	175.6	0	0	112.4	R331 F430 E436	R331-E428 IonicContact NH2-OE1 3.8Å; E428-F430 PolarHBondContact O-N 3.48Å; E428-E436 HydrophobicContact CB-CB 3.97Å; E428-E436 PolarHBondContact O-N 2.98Å
429	C	92.9	Very high	89.5	Confident	3 Å²	3	44 Å²	44	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	85.7	-175.7	-53.1	0	0	0	0	112.3	D416 A418 C419 S427 V434 C435	D416-C429 HydrophobicContact CB-CB 4Å; A418-C429 WeakPolarHBondContact CB-O 3.4Å; C419-C429 HydrophobicContact CB-CB 3.94Å; S427-C429 VanDerWaalsContact C-N 3.33Å; S427-C429 PolarHBondContact O-N 3.34Å; C429-V434 CarbonylContact C-O 3.59Å; C429-V434 WeakPolarHBondContact CA-O 3.39Å; C429-C435 HydrophobicContact CB-CB 4.08Å; C429-C435 WeakPolarHBondContact CB-SG 3.31Å; C429-C435 WeakPolarHBondContact SG-CB 3.45Å; C429-C435 CovalentContact SG-SG 2.04Å; C429-C435 PolarHBondContact SG-SG 3.46Å
430	F	90.5	Very high	90	Very high	112 Å²	112	45.9 Å²	45.9	49%	0.491	25%	0.254	S	S	.	.			trans	-166.8	149.4	-179.7	175.2	-96	0	0	0	112.8	F274 E428 V434	F274-F430 HydrophobicContact CD1-CE1 4.42Å; F274-F430 HydrophobicContact CE1-CD1 4.47Å; F274-F430 AromaticContact CE1-CE1 3.54Å; F274-F430 HydrophobicContact CE1-CE1 3.54Å; F274-F430 HydrophobicContact CE1-CZ 4.2Å; F274-F430 HydrophobicContact CE2-CE1 4.39Å; F274-F430 AromaticContact CZ-CE1 3.55Å; F274-F430 HydrophobicContact CZ-CE1 3.55Å; F274-F430 HydrophobicContact CZ-CZ 4.08Å; E428-F430 PolarHBondContact O-N 3.48Å; F430-V434 PolarHBondContact N-O 3.23Å
431	P	92	Very high	90.9	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.078	23%	0.227	C	C	.	.	S	Bend	cis	-69.5	177.2	-23.6	29	-40.8	0	0	0	113.6	S271 F274 P327 C433 V434	S271-P431 VanDerWaalsContact OG-CG 3.3Å; S271-P431 WeakPolarHBondContact OG-CG 3.28Å; F274-P431 HydrophobicContact CD1-CG 4.28Å; P327-P431 VanDerWaalsContact CB-CD 3.41Å; P327-P431 HydrophobicContact CB-CG 3.94Å; P327-P431 HydrophobicContact CG-CG 4.11Å; P431-C433 PolarHBondContact O-N 2.95Å; P431-V434 PolarHBondContact O-N 3.16Å; P431-V434 VanDerWaalsContact O-N 3.16Å
432	D	91.1	Very high	91.7	Very high	69 Å²	69	35 Å²	35	37%	0.369	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	22	171.7	-66	-27.9	0	0	0	115.4	S268 S271 V434	S268-D432 WeakPolarHBondContact CB-OD2 3.27Å; S268-D432 PolarHBondContact OG-OD2 3.4Å; S271-D432 PolarHBondContact OG-OD2 3.26Å; D432-V434 VanDerWaalsContact C-N 3.29Å; D432-V434 PolarHBondContact O-N 3.13Å
433	C	91.4	Very high	92.8	Very high	49 Å²	49	31.9 Å²	31.9	33%	0.331	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	39.9	-176.6	-63	0	0	0	0	114.8	C419 L422 P431	C419-C433 WeakPolarHBondContact CA-SG 3.25Å; C419-C433 HydrophobicContact CB-CB 3.65Å; C419-C433 WeakPolarHBondContact CB-SG 3.19Å; C419-C433 WeakPolarHBondContact SG-CA 3.23Å; C419-C433 WeakPolarHBondContact SG-CB 3.07Å; C419-C433 CovalentContact SG-SG 2.03Å; C419-C433 PolarHBondContact SG-SG 2.83Å; L422-C433 HydrophobicContact CD1-CB 3.94Å; L422-C433 WeakPolarHBondContact CD1-O 3.27Å; P431-C433 PolarHBondContact O-N 2.95Å
434	V	93.9	Very high	93.7	Very high	5 Å²	5	31 Å²	31	3%	0.03	17%	0.166	C	C	.	.			trans	-93.5	120.6	160.8	-176.7	0	0	0	0	107.7	A263 K264 L326 P327 C429 F430 P431 D432	A263-V434 HydrophobicContact CB-CG1 3.79Å; K264-V434 HydrophobicContact CB-CG2 4.09Å; L326-V434 HydrophobicContact CD2-CG1 4.16Å; P327-V434 HydrophobicContact CG-CB 3.9Å; P327-V434 HydrophobicContact CG-CG1 4.26Å; P327-V434 HydrophobicContact CG-CG2 4.46Å; C429-V434 CarbonylContact C-O 3.59Å; C429-V434 WeakPolarHBondContact CA-O 3.39Å; F430-V434 PolarHBondContact N-O 3.23Å; P431-V434 PolarHBondContact O-N 3.16Å; P431-V434 VanDerWaalsContact O-N 3.16Å; D432-V434 VanDerWaalsContact C-N 3.29Å; D432-V434 PolarHBondContact O-N 3.13Å
435	C	94.6	Very high	94.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.7	177.9	-54.4	0	0	0	0	111.7	L259 Q262 L422 V426 C429	L259-C435 HydrophobicContact CD1-CB 4.39Å; Q262-C435 PolarHBondContact NE2-O 2.85Å; Q262-C435 VanDerWaalsContact NE2-O 3.1Å; L422-C435 WeakPolarHBondContact CD1-SG 3.47Å; V426-C435 HydrophobicContact CB-CB 3.99Å; V426-C435 HydrophobicContact CG1-CB 4.36Å; C429-C435 HydrophobicContact CB-CB 4.08Å; C429-C435 WeakPolarHBondContact CB-SG 3.31Å; C429-C435 WeakPolarHBondContact SG-CB 3.45Å; C429-C435 CovalentContact SG-SG 2.04Å; C429-C435 PolarHBondContact SG-SG 3.46Å
436	E	95.1	Very high	94.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-9.1	-179.5	-60.9	-75.8	-171.3	0	0	112	H320 L326 P327 L328 D329 Q332 S427 E428	H320-E436 IonicContact CE1-OE2 3.42Å; H320-E436 IonicContact NE2-OE1 3.33Å; H320-E436 PolarHBondContact NE2-OE1 2.98Å; H320-E436 IonicContact NE2-OE2 2.68Å; H320-E436 PolarHBondContact NE2-OE2 3.35Å; H320-E436 VanDerWaalsContact NE2-OE2 3.17Å; L326-E436 WeakPolarHBondContact CB-OE2 3.43Å; L326-E436 WeakPolarHBondContact CD2-OE2 3.48Å; P327-E436 WeakPolarHBondContact CD-OE1 3.27Å; L328-E436 PolarHBondContact N-OE1 3.21Å; D329-E436 HydrophobicContact CB-CB 3.75Å; D329-E436 HydrophobicContact CB-CG 3.73Å; D329-E436 WeakPolarHBondContact OD2-CB 3.46Å; Q332-E436 PolarHBondContact NE2-O 3.33Å; S427-E436 PolarHBondContact O-N 2.95Å; E428-E436 HydrophobicContact CB-CB 3.97Å; E428-E436 PolarHBondContact O-N 2.98Å
437	D	95.8	Very high	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	163.2	178.7	-153.9	11	0	0	0	115.1	R331 Y407 E410 V426 S427 N441	R331-D437 IonicContact NE-OD2 2.68Å; Y407-D437 WeakPolarHBondContact CE1-OD1 3Å; Y407-D437 PolarHBondContact OH-OD2 3.3Å; E410-D437 WeakPolarHBondContact CA-OD2 3.42Å; E410-D437 WeakPolarHBondContact CB-OD2 3.43Å; E410-D437 PolarHBondContact N-OD2 2.89Å; E410-D437 CarbonylContact O-C 3.52Å; V426-D437 CarbonylContact C-O 3.49Å; V426-D437 WeakPolarHBondContact CA-O 3.09Å; S427-D437 PolarHBondContact N-O 3.41Å; S427-D437 PolarHBondContact O-N 2.97Å; D437-N441 VanDerWaalsContact OD1-CB 3.25Å; D437-N441 WeakPolarHBondContact OD1-CB 3.23Å; D437-N441 PolarHBondContact OD1-ND2 2.84Å
438	S	94.7	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.7	173.9	65.3	0	0	0	0	112	W258 G409 E410 G425 N440 N441	W258-S438 WeakPolarHBondContact CZ2-OG 3.33Å; G409-S438 CarbonylContact C-O 3.5Å; G409-S438 VanDerWaalsContact C-O 3.24Å; G409-S438 WeakPolarHBondContact CA-O 3.25Å; E410-S438 PolarHBondContact N-O 3.29Å; E410-S438 CarbonylContact O-C 3.02Å; E410-S438 WeakPolarHBondContact O-CA 3.49Å; E410-S438 PolarHBondContact O-N 3.07Å; G425-S438 CarbonylContact O-C 3.4Å; G425-S438 WeakPolarHBondContact O-CA 3.1Å; G425-S438 VanDerWaalsContact O-CB 3.29Å; G425-S438 WeakPolarHBondContact O-CB 3.04Å; S438-N440 PolarHBondContact O-N 2.9Å; S438-N440 VanDerWaalsContact O-N 3.13Å; S438-N440 PolarHBondContact OG-OD1 3.4Å; S438-N441 WeakPolarHBondContact O-CB 3.45Å; S438-N441 PolarHBondContact O-N 3.12Å; S438-N441 PolarHBondContact OG-N 2.98Å
439	Y	93.1	Very high	95.1	Very high	103 Å²	103	22.3 Å²	22.3	40%	0.404	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.7	177.5	-71.5	-54	0	0	0	114	G411 R412 N413 G425 T442	G411-Y439 VanDerWaalsContact C-CE1 3.43Å; G411-Y439 VanDerWaalsContact CA-CE1 3.45Å; G411-Y439 VanDerWaalsContact N-CD1 3.32Å; G411-Y439 WeakPolarHBondContact O-CE1 3.5Å; G411-Y439 PolarHBondContact O-OH 3.06Å; R412-Y439 WeakPolarHBondContact CA-OH 3.29Å; R412-Y439 PolarHBondContact N-OH 3.38Å; N413-Y439 PolarHBondContact N-OH 3.45Å; N413-Y439 VanDerWaalsContact N-OH 3.11Å; N413-Y439 PolarHBondContact OD1-OH 3.14Å; G425-Y439 PolarHBondContact O-N 3.17Å; Y439-T442 PolarHBondContact O-OG1 3.46Å; Y439-T442 VanDerWaalsContact O-OG1 3.11Å
440	N	93.7	Very high	95.1	Very high	44 Å²	44	22.9 Å²	22.9	24%	0.235	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	11.3	-179.9	67.4	-14	0	0	0	113.2	H257 W258 S438 T442 D462	H257-N440 PolarHBondContact NE2-O 3.47Å; W258-N440 WeakPolarHBondContact CZ2-OD1 3.24Å; W258-N440 PolarHBondContact NE1-ND2 3.22Å; W258-N440 PolarHBondContact NE1-OD1 2.99Å; W258-N440 VanDerWaalsContact NE1-OD1 3.12Å; S438-N440 PolarHBondContact O-N 2.9Å; S438-N440 VanDerWaalsContact O-N 3.13Å; S438-N440 PolarHBondContact OG-OD1 3.4Å; N440-T442 PolarHBondContact O-N 3.31Å; N440-D462 HydrophobicContact CB-CB 4.04Å
441	N	96.8	Very high	95	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.			trans	-77	39.9	161.6	-169.3	35.6	0	0	0	110.3	L259 Y407 D437 S438	L259-N441 HydrophobicContact CD2-CB 3.78Å; L259-N441 VanDerWaalsContact CD2-CG 3.44Å; L259-N441 WeakPolarHBondContact CD2-ND2 3.31Å; Y407-N441 WeakPolarHBondContact CD1-O 2.98Å; Y407-N441 WeakPolarHBondContact CE1-O 3.36Å; D437-N441 VanDerWaalsContact OD1-CB 3.25Å; D437-N441 WeakPolarHBondContact OD1-CB 3.23Å; D437-N441 PolarHBondContact OD1-ND2 2.84Å; S438-N441 WeakPolarHBondContact O-CB 3.45Å; S438-N441 PolarHBondContact O-N 3.12Å; S438-N441 PolarHBondContact OG-N 2.98Å
442	T	97.8	Very high	94.8	Very high	29 Å²	29	27.3 Å²	27.3	18%	0.178	16%	0.161	C	C	.	.			trans	-97.1	122.4	179.8	-66.5	0	0	0	0	106.9	Y407 G409 Y439 N440 F460 D461	Y407-T442 CarbonylContact O-C 3.53Å; Y407-T442 WeakPolarHBondContact O-CA 3.35Å; G409-T442 PolarHBondContact N-OG1 3.26Å; Y439-T442 PolarHBondContact O-OG1 3.46Å; Y439-T442 VanDerWaalsContact O-OG1 3.11Å; N440-T442 PolarHBondContact O-N 3.31Å; T442-F460 CarbonylContact O-C 3.58Å; T442-F460 WeakPolarHBondContact O-CA 3.33Å; T442-D461 HydrophobicContact CG2-CB 3.94Å; T442-D461 PolarHBondContact O-N 3.45Å
443	Y	98.5	Very high	94.8	Very high	8 Å²	8	24.6 Å²	24.6	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161.2	-176.2	64.2	-99.4	0	0	0	112.4	P79 R331 Q332 L333 Y407 E459 F460	P79-Y443 WeakPolarHBondContact CG-OH 3.37Å; R331-Y443 VanDerWaalsContact O-CE1 3.31Å; R331-Y443 WeakPolarHBondContact O-CE1 3.43Å; R331-Y443 PolarHBondContact O-OH 3.39Å; Q332-Y443 PolarHBondContact O-OH 3.05Å; L333-Y443 HydrophobicContact CB-CD2 4.11Å; L333-Y443 HydrophobicContact CB-CE1 4.48Å; L333-Y443 HydrophobicContact CB-CE2 3.64Å; L333-Y443 PolarHBondContact N-OH 3.27Å; Y407-Y443 HydrophobicContact CD1-CD1 4.2Å; Y407-Y443 AromaticContact CD1-CE1 3.6Å; Y407-Y443 HydrophobicContact CD1-CE1 3.6Å; Y407-Y443 AromaticContact CG-CE1 3.92Å; Y407-Y443 HydrophobicContact CG-CE1 3.92Å; Y407-Y443 PolarHBondContact N-O 2.96Å; Y407-Y443 PolarHBondContact O-N 2.9Å; Y443-E459 VanDerWaalsContact CA-O 3.22Å; Y443-E459 WeakPolarHBondContact CA-O 3.47Å; Y443-E459 WeakPolarHBondContact CB-O 3.37Å; Y443-F460 HydrophobicContact CD1-CD1 4.3Å; Y443-F460 AromaticContact CD1-CE1 3.77Å; Y443-F460 HydrophobicContact CD1-CE1 3.77Å; Y443-F460 HydrophobicContact CD1-CZ 4.3Å; Y443-F460 HydrophobicContact CG-CE1 4.21Å
444	A	98.6	Very high	95.1	Very high	4 Å²	4	24 Å²	24	3%	0.033	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.9	165.6	0	0	0	0	0	110.7	L404 V405 E406 C458 E459 L498 Q502	L404-A444 HydrophobicContact CD1-CB 4.47Å; V405-A444 CarbonylContact O-C 3.24Å; V405-A444 VanDerWaalsContact O-CA 3.29Å; V405-A444 WeakPolarHBondContact O-CA 3.43Å; E406-A444 HydrophobicContact CG-CB 4.24Å; A444-C458 WeakPolarHBondContact O-CA 3.38Å; A444-E459 PolarHBondContact N-O 3.4Å; A444-E459 PolarHBondContact O-N 2.79Å; A444-L498 HydrophobicContact CB-CD1 3.8Å; A444-Q502 HydrophobicContact CB-CG 4.05Å
445	C	98.7	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.6	-175.4	-58.4	0	0	0	0	112.5	L404 V405 Y457 C458	L404-C445 WeakPolarHBondContact CA-O 3.4Å; V405-C445 HydrophobicContact CB-CB 4.24Å; V405-C445 PolarHBondContact N-O 3.3Å; V405-C445 PolarHBondContact O-N 3.19Å; C445-Y457 CarbonylContact C-O 3.12Å; C445-Y457 WeakPolarHBondContact CA-O 3.37Å; C445-C458 HydrophobicContact CB-CB 4.05Å; C445-C458 WeakPolarHBondContact CB-SG 3.12Å; C445-C458 WeakPolarHBondContact SG-CB 3.33Å; C445-C458 CovalentContact SG-SG 2.03Å; C445-C458 PolarHBondContact SG-SG 3Å
446	V	98.2	Very high	95.4	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.4	160.5	-172.4	0	0	0	0	108.6	D402 I403 Q456 Y457 R497 L498 L501	D402-V446 HydrophobicContact CB-CG1 3.83Å; I403-V446 WeakPolarHBondContact O-CA 3.36Å; V446-Q456 WeakPolarHBondContact O-CA 3.23Å; V446-Y457 PolarHBondContact N-O 2.83Å; V446-Y457 PolarHBondContact O-N 2.02Å; V446-R497 HydrophobicContact CG1-CG 4.01Å; V446-R497 HydrophobicContact CG2-CB 4.43Å; V446-R497 HydrophobicContact CG2-CG 4.18Å; V446-L498 HydrophobicContact CG2-CB 3.7Å; V446-L498 HydrophobicContact CG2-CD1 3.72Å; V446-L498 HydrophobicContact CG2-CG 4.31Å; V446-L501 HydrophobicContact CG1-CD1 4.17Å; V446-L501 HydrophobicContact CG2-CD1 4.1Å
447	R	97.8	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	107.7	169.3	-175.8	66	-176.8	85.9	7.9	109.3	F75 E335 D402 I403 N454 L455	F75-R447 HydrophobicContact CD1-CG 4.26Å; F75-R447 HydrophobicContact CD2-CG 4.48Å; F75-R447 HydrophobicContact CE1-CG 3.88Å; F75-R447 HydrophobicContact CE2-CG 4.09Å; F75-R447 HydrophobicContact CZ-CG 3.78Å; E335-R447 IonicContact OE1-CZ 3.78Å; E335-R447 IonicContact OE1-NE 3.59Å; E335-R447 PolarHBondContact OE1-NE 2.68Å; E335-R447 IonicContact OE1-NH2 2.95Å; E335-R447 PolarHBondContact OE1-NH2 3.11Å; E335-R447 VanDerWaalsContact OE1-NH2 3.15Å; D402-R447 WeakPolarHBondContact CA-O 3.32Å; I403-R447 HydrophobicContact CB-CB 4.32Å; I403-R447 PolarHBondContact N-O 2.82Å; I403-R447 PolarHBondContact O-N 3.22Å; R447-N454 PolarHBondContact NH1-OD1 2.77Å; R447-N454 PolarHBondContact NH2-OD1 2.64Å; R447-L455 PolarHBondContact NH1-O 3.18Å
448	T	97.1	Very high	95.7	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.025	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.8	-179.8	-65.8	0	0	0	0	110.9	T401 D402 A450 A453 N454 L455 Y515	T401-T448 CarbonylContact O-C 3.58Å; T401-T448 WeakPolarHBondContact O-CA 3.3Å; D402-T448 WeakPolarHBondContact OD1-CB 3.22Å; D402-T448 WeakPolarHBondContact OD1-CG2 3.36Å; D402-T448 PolarHBondContact OD1-OG1 3.44Å; T448-A450 HydrophobicContact CG2-CB 4.39Å; T448-A453 HydrophobicContact CG2-CB 4.03Å; T448-N454 CarbonylContact O-C 3.59Å; T448-N454 VanDerWaalsContact O-CA 3.29Å; T448-N454 WeakPolarHBondContact O-CA 3.4Å; T448-L455 PolarHBondContact N-O 3.45Å; T448-L455 PolarHBondContact O-N 3.35Å; T448-Y515 HydrophobicContact CG2-CD2 3.62Å; T448-Y515 HydrophobicContact CG2-CE2 4.34Å; T448-Y515 HydrophobicContact CG2-CG 4.36Å
449	V	95.7	Very high	95.9	Very high	17 Å²	17	27 Å²	27	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	104.7	167.8	-176.4	0	0	0	0	108.7	F75 P358 T401	F75-V449 HydrophobicContact CE2-CG2 4.04Å; F75-V449 HydrophobicContact CZ-CG2 4.17Å; P358-V449 HydrophobicContact CB-CB 3.98Å; P358-V449 HydrophobicContact CB-CG2 4.31Å; P358-V449 HydrophobicContact CG-CB 4.03Å; T401-V449 PolarHBondContact O-N 2.98Å
450	A	92.1	Very high	96.1	Very high	15 Å²	15	22.4 Å²	22.4	12%	0.124	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.7	178.3	0	0	0	0	0	109.6	T401 T448 S452 A453	T401-A450 HydrophobicContact CG2-CB 3.67Å; T448-A450 HydrophobicContact CG2-CB 4.39Å; A450-S452 PolarHBondContact O-N 2.79Å; A450-A453 HydrophobicContact CB-CB 4.39Å; A450-A453 PolarHBondContact N-O 2.93Å; A450-A453 CarbonylContact O-C 3.5Å; A450-A453 PolarHBondContact O-N 3.03Å; A450-A453 VanDerWaalsContact O-N 3.15Å
451	P	88.3	Confident	96.2	Very high	117 Å²	117	26.3 Å²	26.3	76%	0.76	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.8	174.2	-27.3	35.8	0	0	0	114.3
452	S	88.1	Confident	95.9	Very high	100 Å²	100	27 Å²	27	70%	0.699	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.6	-178.8	55.3	0	0	0	0	114.7	A450	A450-S452 PolarHBondContact O-N 2.79Å
453	A	91.8	Very high	95.5	Very high	12 Å²	12	33.5 Å²	33.5	10%	0.099	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	132.7	-172.9	0	0	0	0	0	111.4	T448 A450 L455 Y515	T448-A453 HydrophobicContact CG2-CB 4.03Å; A450-A453 HydrophobicContact CB-CB 4.39Å; A450-A453 PolarHBondContact N-O 2.93Å; A450-A453 CarbonylContact O-C 3.5Å; A450-A453 PolarHBondContact O-N 3.03Å; A450-A453 VanDerWaalsContact O-N 3.15Å; A453-L455 HydrophobicContact CB-CD1 4.04Å; A453-L455 HydrophobicContact CB-CG 4.24Å; A453-Y515 HydrophobicContact CB-CD1 4.28Å; A453-Y515 HydrophobicContact CB-CD2 4.33Å; A453-Y515 HydrophobicContact CB-CG 3.99Å
454	N	96.4	Very high	95.2	Very high	37 Å²	37	38.4 Å²	38.4	20%	0.198	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	79.9	172.6	-171.8	18	0	0	0	107.8	R447 T448 V472 T473	R447-N454 PolarHBondContact NH1-OD1 2.77Å; R447-N454 PolarHBondContact NH2-OD1 2.64Å; T448-N454 CarbonylContact O-C 3.59Å; T448-N454 VanDerWaalsContact O-CA 3.29Å; T448-N454 WeakPolarHBondContact O-CA 3.4Å; N454-V472 PolarHBondContact O-N 3.06Å; N454-T473 WeakPolarHBondContact CB-OG1 3.39Å; N454-T473 PolarHBondContact ND2-OG1 3.07Å
455	L	97	Very high	94.8	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.12	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.3	-166	-58.9	172.2	0	0	0	109.9	R447 T448 A453 Y470 N471 M494 Y515	R447-L455 PolarHBondContact NH1-O 3.18Å; T448-L455 PolarHBondContact N-O 3.45Å; T448-L455 PolarHBondContact O-N 3.35Å; A453-L455 HydrophobicContact CB-CD1 4.04Å; A453-L455 HydrophobicContact CB-CG 4.24Å; L455-Y470 CarbonylContact C-O 3.6Å; L455-Y470 VanDerWaalsContact CA-O 3.31Å; L455-Y470 WeakPolarHBondContact CA-O 3.44Å; L455-N471 HydrophobicContact CD2-CB 3.94Å; L455-M494 HydrophobicContact CB-CE 4.09Å; L455-M494 HydrophobicContact CD1-CE 3.45Å; L455-M494 VanDerWaalsContact CD1-CE 3.45Å; L455-M494 HydrophobicContact CG-CE 4.23Å; L455-Y515 HydrophobicContact CD1-CE1 4.23Å; L455-Y515 HydrophobicContact CD1-CE2 3.97Å
456	Q	98.4	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.3	165	-176.8	168.2	16.7	0	0	108.4	L333 V446 V469 Y470 V472	L333-Q456 PolarHBondContact O-NE2 3.24Å; V446-Q456 WeakPolarHBondContact O-CA 3.23Å; Q456-V469 CarbonylContact O-C 3.59Å; Q456-V469 VanDerWaalsContact O-CA 3.29Å; Q456-V469 WeakPolarHBondContact O-CA 3.25Å; Q456-Y470 PolarHBondContact N-O 3.42Å; Q456-Y470 PolarHBondContact O-N 2.72Å; Q456-V472 HydrophobicContact CB-CG2 4.29Å
457	Y	98.4	Very high	94.8	Very high	8 Å²	8	45.4 Å²	45.4	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.9	177.1	174.6	-96.5	0	0	0	108.3	C445 V446 E459 V467 V469 L491 M494 N495 L498	C445-Y457 CarbonylContact C-O 3.12Å; C445-Y457 WeakPolarHBondContact CA-O 3.37Å; V446-Y457 PolarHBondContact N-O 2.83Å; V446-Y457 PolarHBondContact O-N 2.02Å; Y457-E459 HydrophobicContact CE1-CG 3.71Å; Y457-E459 WeakPolarHBondContact CE1-OE1 3.41Å; Y457-E459 VanDerWaalsContact OH-CD 3.29Å; Y457-E459 WeakPolarHBondContact OH-CG 3.26Å; Y457-E459 PolarHBondContact OH-OE1 3.01Å; Y457-V467 HydrophobicContact CD2-CG1 4.3Å; Y457-V467 HydrophobicContact CE2-CG1 3.6Å; Y457-V469 HydrophobicContact CD2-CG2 3.55Å; Y457-V469 HydrophobicContact CE2-CG2 4Å; Y457-L491 HydrophobicContact CD2-CD1 4.19Å; Y457-L491 HydrophobicContact CE2-CD1 3.55Å; Y457-L491 HydrophobicContact CE2-CG 4.17Å; Y457-M494 HydrophobicContact CD1-CB 3.83Å; Y457-M494 HydrophobicContact CD2-CB 3.58Å; Y457-M494 HydrophobicContact CD2-CG 4.2Å; Y457-M494 HydrophobicContact CD2-SD 3.53Å; Y457-M494 VanDerWaalsContact CD2-SD 3.53Å; Y457-M494 HydrophobicContact CE1-CB 4.21Å; Y457-M494 HydrophobicContact CE2-CB 4.01Å; Y457-M494 HydrophobicContact CE2-SD 4.45Å; Y457-M494 HydrophobicContact CG-CB 3.5Å; Y457-M494 VanDerWaalsContact CG-CB 3.5Å; Y457-M494 HydrophobicContact CG-CG 4.21Å; Y457-M494 HydrophobicContact CG-SD 3.9Å; Y457-N495 HydrophobicContact CE1-CB 4.38Å; Y457-L498 HydrophobicContact CD1-CB 4.37Å; Y457-L498 HydrophobicContact CD1-CD2 4.13Å; Y457-L498 HydrophobicContact CE1-CB 4.27Å; Y457-L498 HydrophobicContact CE1-CD2 3.82Å
458	C	98.5	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.5	-177.8	-61.1	0	0	0	0	111	L333 A444 C445 V467 E468	L333-C458 HydrophobicContact CD2-CB 3.92Å; A444-C458 WeakPolarHBondContact O-CA 3.38Å; C445-C458 HydrophobicContact CB-CB 4.05Å; C445-C458 WeakPolarHBondContact CB-SG 3.12Å; C445-C458 WeakPolarHBondContact SG-CB 3.33Å; C445-C458 CovalentContact SG-SG 2.03Å; C445-C458 PolarHBondContact SG-SG 3Å; C458-V467 WeakPolarHBondContact O-CA 3.19Å; C458-E468 HydrophobicContact CB-CB 4.45Å; C458-E468 PolarHBondContact N-O 2.96Å; C458-E468 PolarHBondContact O-N 3.37Å
459	E	98.3	Very high	94.9	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.7	170.2	-68.5	178.8	-151	0	0	109.7	Y443 A444 Y457 V467 N495 L498	Y443-E459 VanDerWaalsContact CA-O 3.22Å; Y443-E459 WeakPolarHBondContact CA-O 3.47Å; Y443-E459 WeakPolarHBondContact CB-O 3.37Å; A444-E459 PolarHBondContact N-O 3.4Å; A444-E459 PolarHBondContact O-N 2.79Å; Y457-E459 HydrophobicContact CE1-CG 3.71Å; Y457-E459 WeakPolarHBondContact CE1-OE1 3.41Å; Y457-E459 VanDerWaalsContact OH-CD 3.29Å; Y457-E459 WeakPolarHBondContact OH-CG 3.26Å; Y457-E459 PolarHBondContact OH-OE1 3.01Å; E459-V467 HydrophobicContact CG-CG2 4.22Å; E459-N495 PolarHBondContact OE1-ND2 3.2Å; E459-N495 PolarHBondContact OE2-ND2 3.14Å; E459-L498 HydrophobicContact CB-CD2 3.9Å; E459-L498 HydrophobicContact CG-CD2 3.86Å
460	F	98.2	Very high	95	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.7	173.9	-71.1	-101	0	0	0	110.4	H257 L333 T442 Y443 D462 F466 E468	H257-F460 HydrophobicContact CB-CD1 4.17Å; H257-F460 HydrophobicContact CB-CD2 4.35Å; H257-F460 HydrophobicContact CB-CE1 3.64Å; H257-F460 HydrophobicContact CB-CE2 3.84Å; H257-F460 HydrophobicContact CB-CG 4.49Å; H257-F460 HydrophobicContact CB-CZ 3.43Å; H257-F460 VanDerWaalsContact CB-CZ 3.43Å; H257-F460 AromaticContact CD2-CD1 3.4Å; H257-F460 WeakPolarHBondContact CD2-CD1 3.34Å; H257-F460 AromaticContact CD2-CE1 3.74Å; H257-F460 AromaticContact CD2-CG 3.69Å; H257-F460 AromaticContact CE1-CD1 3.88Å; H257-F460 AromaticContact CE1-CE1 3.99Å; H257-F460 AromaticContact CG-CD1 3.57Å; H257-F460 AromaticContact CG-CE1 3.37Å; H257-F460 AromaticContact CG-CZ 3.75Å; H257-F460 AromaticContact ND1-CD1 3.87Å; H257-F460 AromaticContact ND1-CE1 3.55Å; H257-F460 AromaticContact NE2-CD1 3.65Å; L333-F460 HydrophobicContact CD2-CE2 3.67Å; L333-F460 HydrophobicContact CD2-CZ 3.46Å; L333-F460 VanDerWaalsContact CD2-CZ 3.46Å; T442-F460 CarbonylContact O-C 3.58Å; T442-F460 WeakPolarHBondContact O-CA 3.33Å; Y443-F460 HydrophobicContact CD1-CD1 4.3Å; Y443-F460 AromaticContact CD1-CE1 3.77Å; Y443-F460 HydrophobicContact CD1-CE1 3.77Å; Y443-F460 HydrophobicContact CD1-CZ 4.3Å; Y443-F460 HydrophobicContact CG-CE1 4.21Å; F460-D462 HydrophobicContact CB-CB 4.41Å; F460-D462 PolarHBondContact O-N 3.47Å; F460-D462 VanDerWaalsContact O-N 3.16Å; F460-F466 HydrophobicContact CB-CB 4.23Å; F460-F466 HydrophobicContact CD2-CB 4.25Å; F460-F466 HydrophobicContact CD2-CD1 4.24Å; F460-F466 WeakPolarHBondContact CD2-O 3.36Å; F460-F466 HydrophobicContact CE2-CD1 4.39Å; F460-F466 HydrophobicContact CG-CB 4.46Å; F460-F466 PolarHBondContact N-O 2.95Å; F460-E468 HydrophobicContact CE2-CG 4.13Å
461	D	95.4	Very high	95.3	Very high	126 Å²	126	46.5 Å²	46.5	67%	0.674	26%	0.262	S	S	*	.			trans	-84.6	73.3	166.3	-169.2	15.7	0	0	0	108.4	T442	T442-D461 HydrophobicContact CG2-CB 3.94Å; T442-D461 PolarHBondContact O-N 3.45Å
462	D	91.8	Very high	95.7	Very high	14 Å²	14	41.3 Å²	41.3	8%	0.075	23%	0.228	C	C	.	.	S	Bend	trans	-131	-178	177.1	78	-9.8	0	0	0	111	H257 N440 F460 E464 V465 F466	H257-D462 IonicContact CD2-OD2 3.7Å; H257-D462 PolarHBondContact CD2-OD2 3.1Å; H257-D462 IonicContact NE2-OD2 3.91Å; H257-D462 PolarHBondContact NE2-OD2 3.47Å; N440-D462 HydrophobicContact CB-CB 4.04Å; F460-D462 HydrophobicContact CB-CB 4.41Å; F460-D462 PolarHBondContact O-N 3.47Å; F460-D462 VanDerWaalsContact O-N 3.16Å; D462-E464 PolarHBondContact O-N 2.96Å; D462-E464 PolarHBondContact OD1-N 2.93Å; D462-V465 PolarHBondContact O-N 2.97Å; D462-V465 WeakPolarHBondContact OD1-CA 3.37Å; D462-V465 PolarHBondContact OD1-N 3.02Å; D462-F466 PolarHBondContact OD1-N 3.06Å
463	N	89.5	Confident	96.1	Very high	167 Å²	167	41.4 Å²	41.4	89%	0.893	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.2	-179.2	-64.7	-31.8	0	0	0	113.3
464	E	91.6	Very high	96.4	Very high	111 Å²	111	44.8 Å²	44.8	52%	0.519	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-14.4	178.4	-65.9	-175.7	-170.6	0	0	111.8	R261 D462 F466	R261-E464 IonicContact NH2-OE1 3.74Å; R261-E464 IonicContact NH2-OE2 3.63Å; R261-E464 PolarHBondContact NH2-OE2 3.35Å; D462-E464 PolarHBondContact O-N 2.96Å; D462-E464 PolarHBondContact OD1-N 2.93Å; E464-F466 HydrophobicContact CB-CB 4.25Å; E464-F466 PolarHBondContact O-N 3.27Å; E464-F466 WeakPolarHBondContact OE2-CD2 3.47Å
465	V	90.8	Very high	96.5	Very high	90 Å²	90	43.9 Å²	43.9	55%	0.545	25%	0.247	S	C	.	.			trans	47.2	50	-163	-165.6	0	0	0	0	108.9	D462 V467	D462-V465 PolarHBondContact O-N 2.97Å; D462-V465 WeakPolarHBondContact OD1-CA 3.37Å; D462-V465 PolarHBondContact OD1-N 3.02Å; V465-V467 WeakPolarHBondContact O-CG2 3.35Å; V465-V467 PolarHBondContact O-N 3.17Å
466	F	97.3	Very high	96.5	Very high	32 Å²	32	46.1 Å²	46.1	14%	0.14	26%	0.263	C	S	.	.			trans	-62.3	139.6	-168.7	-163.4	-97.1	0	0	0	110.5	D255 K256 H257 F460 D462 E464 E468	D255-F466 WeakPolarHBondContact O-CZ 3.37Å; K256-F466 VanDerWaalsContact C-CZ 3.49Å; K256-F466 WeakPolarHBondContact O-CZ 3.3Å; H257-F466 HydrophobicContact CB-CD1 4.11Å; H257-F466 HydrophobicContact CB-CE1 4.5Å; H257-F466 VanDerWaalsContact N-CE1 3.25Å; F460-F466 HydrophobicContact CB-CB 4.23Å; F460-F466 HydrophobicContact CD2-CB 4.25Å; F460-F466 HydrophobicContact CD2-CD1 4.24Å; F460-F466 WeakPolarHBondContact CD2-O 3.36Å; F460-F466 HydrophobicContact CE2-CD1 4.39Å; F460-F466 HydrophobicContact CG-CB 4.46Å; F460-F466 PolarHBondContact N-O 2.95Å; D462-F466 PolarHBondContact OD1-N 3.06Å; E464-F466 HydrophobicContact CB-CB 4.25Å; E464-F466 PolarHBondContact O-N 3.27Å; E464-F466 WeakPolarHBondContact OE2-CD2 3.47Å; F466-E468 HydrophobicContact CD1-CG 3.98Å; F466-E468 HydrophobicContact CE1-CG 3.64Å
467	V	97.9	Very high	96.4	Very high	34 Å²	34	50 Å²	50	21%	0.206	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.4	-177.9	-176.7	0	0	0	0	109.9	Y457 C458 E459 V465 V469 N481 A483 L491	Y457-V467 HydrophobicContact CD2-CG1 4.3Å; Y457-V467 HydrophobicContact CE2-CG1 3.6Å; C458-V467 WeakPolarHBondContact O-CA 3.19Å; E459-V467 HydrophobicContact CG-CG2 4.22Å; V465-V467 WeakPolarHBondContact O-CG2 3.35Å; V465-V467 PolarHBondContact O-N 3.17Å; V467-V469 HydrophobicContact CG1-CG2 3.91Å; V467-N481 PolarHBondContact O-ND2 3.06Å; V467-A483 HydrophobicContact CB-CB 4.38Å; V467-A483 HydrophobicContact CG1-CB 4.16Å; V467-L491 HydrophobicContact CG1-CD1 4.36Å
468	E	98.5	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.3	169.9	-66.9	-167	-165.8	0	0	111	K256 H257 Y334 C458 F460 F466 Y470 N481	K256-E468 VanDerWaalsContact CA-OE1 3.23Å; K256-E468 WeakPolarHBondContact CA-OE1 3.44Å; K256-E468 WeakPolarHBondContact CB-OE1 3.37Å; H257-E468 PolarHBondContact N-OE1 2.93Å; Y334-E468 WeakPolarHBondContact CE1-OE2 3.23Å; Y334-E468 PolarHBondContact OH-OE1 3.28Å; Y334-E468 PolarHBondContact OH-OE2 2.99Å; C458-E468 HydrophobicContact CB-CB 4.45Å; C458-E468 PolarHBondContact N-O 2.96Å; C458-E468 PolarHBondContact O-N 3.37Å; F460-E468 HydrophobicContact CE2-CG 4.13Å; F466-E468 HydrophobicContact CD1-CG 3.98Å; F466-E468 HydrophobicContact CE1-CG 3.64Å; E468-Y470 HydrophobicContact CB-CE2 3.75Å; E468-Y470 VanDerWaalsContact OE2-CE2 3.26Å; E468-Y470 WeakPolarHBondContact OE2-CE2 3.13Å; E468-Y470 VanDerWaalsContact OE2-CZ 3.28Å; E468-Y470 PolarHBondContact OE2-OH 3.32Å; E468-N481 WeakPolarHBondContact CA-OD1 3.41Å
469	V	98.5	Very high	96.4	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.9	175.8	-170.1	0	0	0	0	109.8	Q456 Y457 V467 N481 I482 A483 I486 L491 M494	Q456-V469 CarbonylContact O-C 3.59Å; Q456-V469 VanDerWaalsContact O-CA 3.29Å; Q456-V469 WeakPolarHBondContact O-CA 3.25Å; Y457-V469 HydrophobicContact CD2-CG2 3.55Å; Y457-V469 HydrophobicContact CE2-CG2 4Å; V467-V469 HydrophobicContact CG1-CG2 3.91Å; V469-N481 PolarHBondContact N-OD1 2.85Å; V469-I482 HydrophobicContact CB-CG1 3.97Å; V469-I482 HydrophobicContact CG1-CD1 4.21Å; V469-I482 HydrophobicContact CG1-CG1 3.9Å; V469-I482 VanDerWaalsContact O-CG1 3.24Å; V469-I482 WeakPolarHBondContact O-CG1 3.4Å; V469-I482 PolarHBondContact O-N 3.28Å; V469-A483 HydrophobicContact CB-CB 4.33Å; V469-A483 HydrophobicContact CG2-CB 3.84Å; V469-I486 HydrophobicContact CG1-CD1 4.02Å; V469-L491 HydrophobicContact CG2-CD1 3.91Å; V469-M494 HydrophobicContact CG1-CE 4.17Å; V469-M494 HydrophobicContact CG1-SD 4.09Å
470	Y	98.4	Very high	96.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.3	179.8	-60.1	-73.5	0	0	0	111.7	K256 L333 Y334 L455 Q456 E468 Q478 N480 N481	K256-Y470 PolarHBondContact NZ-OH 3.46Å; K256-Y470 VanDerWaalsContact NZ-OH 3.1Å; L333-Y470 HydrophobicContact CD1-CE2 3.99Å; Y334-Y470 HydrophobicContact CD1-CE2 4.41Å; Y334-Y470 AromaticContact CE1-CE2 3.92Å; Y334-Y470 HydrophobicContact CE1-CE2 3.92Å; Y334-Y470 AromaticContact CE1-CZ 3.92Å; L455-Y470 CarbonylContact C-O 3.6Å; L455-Y470 VanDerWaalsContact CA-O 3.31Å; L455-Y470 WeakPolarHBondContact CA-O 3.44Å; Q456-Y470 PolarHBondContact N-O 3.42Å; Q456-Y470 PolarHBondContact O-N 2.72Å; E468-Y470 HydrophobicContact CB-CE2 3.75Å; E468-Y470 VanDerWaalsContact OE2-CE2 3.26Å; E468-Y470 WeakPolarHBondContact OE2-CE2 3.13Å; E468-Y470 VanDerWaalsContact OE2-CZ 3.28Å; E468-Y470 PolarHBondContact OE2-OH 3.32Å; Y470-Q478 HydrophobicContact CD1-CB 3.68Å; Y470-Q478 HydrophobicContact CD1-CG 4.15Å; Y470-Q478 HydrophobicContact CD2-CB 4.21Å; Y470-Q478 HydrophobicContact CD2-CG 4.23Å; Y470-Q478 VanDerWaalsContact CD2-NE2 3.29Å; Y470-Q478 HydrophobicContact CE1-CB 3.79Å; Y470-Q478 WeakPolarHBondContact CE1-O 3.39Å; Y470-Q478 HydrophobicContact CE2-CB 4.3Å; Y470-Q478 HydrophobicContact CG-CB 3.9Å; Y470-Q478 HydrophobicContact CG-CG 3.91Å; Y470-N480 VanDerWaalsContact CD1-O 3.3Å; Y470-N480 WeakPolarHBondContact CD1-O 3.16Å; Y470-N480 WeakPolarHBondContact CE1-O 3.46Å; Y470-N481 HydrophobicContact CE1-CB 4.32Å
471	N	97.6	Very high	96.4	Very high	60 Å²	60	55.8 Å²	55.8	32%	0.321	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	96.2	161.1	-178.9	-17.9	0	0	0	109	L455 T473 A474 D475 I482	L455-N471 HydrophobicContact CD2-CB 3.94Å; N471-T473 PolarHBondContact O-N 3.04Å; N471-T473 PolarHBondContact OD1-N 3.25Å; N471-A474 HydrophobicContact CB-CB 4.35Å; N471-A474 PolarHBondContact O-N 2.66Å; N471-A474 VanDerWaalsContact O-N 3.1Å; N471-A474 PolarHBondContact OD1-N 2.94Å; N471-D475 PolarHBondContact O-N 3.43Å; N471-I482 HydrophobicContact CB-CD1 4.32Å
472	V	97.5	Very high	96.5	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.048	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.9	-171.4	-171.3	0	0	0	0	112.3	E335 N454 Q456 P476	E335-V472 HydrophobicContact CG-CG1 4.2Å; N454-V472 PolarHBondContact O-N 3.06Å; Q456-V472 HydrophobicContact CB-CG2 4.29Å; V472-P476 VanDerWaalsContact O-CA 3.3Å; V472-P476 WeakPolarHBondContact O-CA 3.45Å
473	T	96.8	Very high	96.7	Very high	102 Å²	102	52.3 Å²	52.3	63%	0.626	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-44.3	170.8	-58.7	0	0	0	0	111.6	N454 N471	N454-T473 WeakPolarHBondContact CB-OG1 3.39Å; N454-T473 PolarHBondContact ND2-OG1 3.07Å; N471-T473 PolarHBondContact O-N 3.04Å; N471-T473 PolarHBondContact OD1-N 3.25Å
474	A	97.6	Very high	97	Very high	82 Å²	82	54 Å²	54	68%	0.678	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-29.1	-179.5	0	0	0	0	0	112.3	N471	N471-A474 HydrophobicContact CB-CB 4.35Å; N471-A474 PolarHBondContact O-N 2.66Å; N471-A474 VanDerWaalsContact O-N 3.1Å; N471-A474 PolarHBondContact OD1-N 2.94Å
475	D	97.9	Very high	97.1	Very high	18 Å²	18	54.2 Å²	54.2	10%	0.096	30%	0.303	C	S	.	.			trans	-135.1	75	-176.7	-172.8	2.7	0	0	0	110.5	N471 Y477 Q478 L479 N480	N471-D475 PolarHBondContact O-N 3.43Å; D475-Y477 PolarHBondContact O-N 3.45Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; D475-Q478 PolarHBondContact O-N 3.47Å; D475-Q478 VanDerWaalsContact O-N 3.11Å; D475-Q478 PolarHBondContact OD1-N 2.63Å; D475-L479 VanDerWaalsContact CG-N 3.27Å; D475-L479 PolarHBondContact OD1-N 3.03Å; D475-L479 PolarHBondContact OD2-N 2.96Å; D475-N480 PolarHBondContact OD2-N 3.19Å; D475-N480 PolarHBondContact OD2-ND2 2.62Å
476	P	96.9	Very high	97.2	Very high	71 Å²	71	51.6 Å²	51.6	46%	0.461	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.8	-177.2	27.1	-35.3	0	0	0	113.6	V472	V472-P476 VanDerWaalsContact O-CA 3.3Å; V472-P476 WeakPolarHBondContact O-CA 3.45Å
477	Y	97.7	Very high	97	Very high	81 Å²	81	56.7 Å²	56.7	32%	0.318	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2.3	178.5	-60.2	-71.5	0	0	0	112.8	D246 P247 N248 F324 D475 L479	D246-Y477 HydrophobicContact CB-CD1 3.87Å; D246-Y477 HydrophobicContact CB-CE1 3.53Å; D246-Y477 WeakPolarHBondContact OD1-CE1 3.47Å; D246-Y477 PolarHBondContact OD1-OH 3.27Å; P247-Y477 HydrophobicContact CB-CD2 3.95Å; P247-Y477 HydrophobicContact CB-CE2 4.39Å; P247-Y477 HydrophobicContact CB-CG 4.23Å; P247-Y477 VanDerWaalsContact CD-CE2 3.41Å; P247-Y477 VanDerWaalsContact CD-CZ 3.4Å; P247-Y477 HydrophobicContact CG-CD2 3.58Å; P247-Y477 HydrophobicContact CG-CE2 3.52Å; P247-Y477 HydrophobicContact CG-CG 4.17Å; N248-Y477 PolarHBondContact ND2-O 3.12Å; F324-Y477 WeakPolarHBondContact CZ-O 3.48Å; D475-Y477 PolarHBondContact O-N 3.45Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; Y477-L479 PolarHBondContact O-N 3.08Å
478	Q	98.3	Very high	96.8	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.014	33%	0.326	C	S	.	.			trans	54.4	41	175.4	-58.6	175.9	-107.5	0	0	112.5	K256 F324 Y334 E335 Y470 D475	K256-Q478 PolarHBondContact NZ-O 2.97Å; F324-Q478 VanDerWaalsContact CZ-O 3.3Å; F324-Q478 WeakPolarHBondContact CZ-O 3.47Å; Y334-Q478 HydrophobicContact CD1-CB 3.97Å; Y334-Q478 HydrophobicContact CE1-CB 4.5Å; E335-Q478 VanDerWaalsContact CG-OE1 3.27Å; Y470-Q478 HydrophobicContact CD1-CB 3.68Å; Y470-Q478 HydrophobicContact CD1-CG 4.15Å; Y470-Q478 HydrophobicContact CD2-CB 4.21Å; Y470-Q478 HydrophobicContact CD2-CG 4.23Å; Y470-Q478 VanDerWaalsContact CD2-NE2 3.29Å; Y470-Q478 HydrophobicContact CE1-CB 3.79Å; Y470-Q478 WeakPolarHBondContact CE1-O 3.39Å; Y470-Q478 HydrophobicContact CE2-CB 4.3Å; Y470-Q478 HydrophobicContact CG-CB 3.9Å; Y470-Q478 HydrophobicContact CG-CG 3.91Å; D475-Q478 PolarHBondContact O-N 3.47Å; D475-Q478 VanDerWaalsContact O-N 3.11Å; D475-Q478 PolarHBondContact OD1-N 2.63Å
479	L	98.1	Very high	96.3	Very high	48 Å²	48	66 Å²	66	25%	0.251	35%	0.351	S	S	.	.			trans	-68.7	-41.1	-179.1	-73.7	165.8	0	0	0	112.1	P247 N248 V251 K256 F324 D475 Y477	P247-L479 HydrophobicContact CB-CD1 3.94Å; N248-L479 HydrophobicContact CB-CD2 3.83Å; N248-L479 HydrophobicContact CB-CG 4.46Å; V251-L479 HydrophobicContact CG1-CD2 4.41Å; K256-L479 PolarHBondContact NZ-O 3.47Å; K256-L479 VanDerWaalsContact NZ-O 3.13Å; F324-L479 HydrophobicContact CE1-CD2 4.21Å; D475-L479 VanDerWaalsContact CG-N 3.27Å; D475-L479 PolarHBondContact OD1-N 3.03Å; D475-L479 PolarHBondContact OD2-N 2.96Å; Y477-L479 PolarHBondContact O-N 3.08Å
480	N	97.8	Very high	95.9	Very high	99 Å²	99	67.6 Å²	67.6	53%	0.529	36%	0.361	S	S	.	.	S	Bend	trans	-115.6	115	-169.2	-51.2	-82	0	0	0	110.8	D255 Y470 D475 I482	D255-N480 WeakPolarHBondContact OD2-CA 3.32Å; Y470-N480 VanDerWaalsContact CD1-O 3.3Å; Y470-N480 WeakPolarHBondContact CD1-O 3.16Å; Y470-N480 WeakPolarHBondContact CE1-O 3.46Å; D475-N480 PolarHBondContact OD2-N 3.19Å; D475-N480 PolarHBondContact OD2-ND2 2.62Å; N480-I482 PolarHBondContact O-N 3.16Å
481	N	98.3	Very high	95.5	Very high	26 Å²	26	69 Å²	69	14%	0.139	37%	0.368	C	S	.	.			trans	-75.3	110.9	171.4	179.3	5.6	0	0	0	109.9	D255 V467 E468 V469 Y470 A483	D255-N481 HydrophobicContact CB-CB 4.24Å; D255-N481 WeakPolarHBondContact O-CB 3.46Å; D255-N481 PolarHBondContact O-ND2 3.08Å; D255-N481 PolarHBondContact OD2-N 2.62Å; V467-N481 PolarHBondContact O-ND2 3.06Å; E468-N481 WeakPolarHBondContact CA-OD1 3.41Å; V469-N481 PolarHBondContact N-OD1 2.85Å; Y470-N481 HydrophobicContact CE1-CB 4.32Å; N481-A483 VanDerWaalsContact C-N 3.34Å; N481-A483 PolarHBondContact O-N 3.47Å; N481-A483 WeakPolarHBondContact OD1-CB 3.45Å; N481-A483 PolarHBondContact OD1-N 3.31Å; N481-A483 VanDerWaalsContact OD1-N 3.08Å
482	I	97.7	Very high	95.2	Very high	49 Å²	49	70.5 Å²	70.5	25%	0.251	37%	0.373	S	S	.	.			trans	-89.6	6.6	-176.7	63.3	163.8	0	0	0	113.7	V469 N471 N480 K484 T485 I486	V469-I482 HydrophobicContact CB-CG1 3.97Å; V469-I482 HydrophobicContact CG1-CD1 4.21Å; V469-I482 HydrophobicContact CG1-CG1 3.9Å; V469-I482 VanDerWaalsContact O-CG1 3.24Å; V469-I482 WeakPolarHBondContact O-CG1 3.4Å; V469-I482 PolarHBondContact O-N 3.28Å; N471-I482 HydrophobicContact CB-CD1 4.32Å; N480-I482 PolarHBondContact O-N 3.16Å; I482-K484 PolarHBondContact O-N 3.45Å; I482-K484 VanDerWaalsContact O-N 3.08Å; I482-T485 PolarHBondContact O-N 3.21Å; I482-T485 PolarHBondContact O-OG1 3.1Å; I482-I486 HydrophobicContact CD1-CD1 4.46Å; I482-I486 PolarHBondContact O-N 2.67Å
483	A	96.7	Very high	94.8	Very high	18 Å²	18	74.6 Å²	74.6	15%	0.149	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.3	-176.4	0	0	0	0	0	113.7	V467 V469 N481	V467-A483 HydrophobicContact CB-CB 4.38Å; V467-A483 HydrophobicContact CG1-CB 4.16Å; V469-A483 HydrophobicContact CB-CB 4.33Å; V469-A483 HydrophobicContact CG2-CB 3.84Å; N481-A483 VanDerWaalsContact C-N 3.34Å; N481-A483 PolarHBondContact O-N 3.47Å; N481-A483 WeakPolarHBondContact OD1-CB 3.45Å; N481-A483 PolarHBondContact OD1-N 3.31Å; N481-A483 VanDerWaalsContact OD1-N 3.08Å
484	K	94.7	Very high	94.6	Very high	203 Å²	203	70 Å²	70	88%	0.883	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.8	-179.8	-63.4	-175.1	-179.4	178.8	0	114.4	I482	I482-K484 PolarHBondContact O-N 3.45Å; I482-K484 VanDerWaalsContact O-N 3.08Å
485	T	94.6	Very high	94.4	Very high	115 Å²	115	68.1 Å²	68.1	71%	0.706	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-14.1	-173	55.7	0	0	0	0	113.3	I482	I482-T485 PolarHBondContact O-N 3.21Å; I482-T485 PolarHBondContact O-OG1 3.1Å
486	I	93.4	Very high	94.1	Very high	35 Å²	35	70.8 Å²	70.8	18%	0.179	35%	0.352	C	S	.	.	S	Bend	trans	-74	146.9	176.5	-160.8	168.5	0	0	0	110.2	V469 I482 Q488 V490 L491 M494	V469-I486 HydrophobicContact CG1-CD1 4.02Å; I482-I486 HydrophobicContact CD1-CD1 4.46Å; I482-I486 PolarHBondContact O-N 2.67Å; I486-Q488 PolarHBondContact O-N 2.79Å; I486-V490 HydrophobicContact CD1-CB 4.26Å; I486-V490 HydrophobicContact CD1-CG1 3.65Å; I486-V490 HydrophobicContact CG1-CB 4.13Å; I486-V490 HydrophobicContact CG1-CG1 4.05Å; I486-L491 HydrophobicContact CG2-CB 4.29Å; I486-L491 HydrophobicContact CG2-CD1 3.78Å; I486-M494 HydrophobicContact CD1-CE 3.84Å; I486-M494 HydrophobicContact CD1-SD 4.3Å
487	E	93.2	Very high	93.9	Very high	138 Å²	138	67.6 Å²	67.6	65%	0.645	33%	0.331	S	S	*	.			trans	-60.1	135.1	176.8	-66.4	179	176.9	0	0	110.9	E489 V490 L491	E487-E489 VanDerWaalsContact C-N 3.25Å; E487-E489 PolarHBondContact O-N 3.12Å; E487-V490 HydrophobicContact CB-CG2 4.1Å; E487-V490 WeakPolarHBondContact O-CB 3.32Å; E487-V490 PolarHBondContact O-N 3.21Å; E487-L491 PolarHBondContact O-N 2.91Å; E487-L491 VanDerWaalsContact O-N 3.11Å
488	Q	91.9	Very high	93.8	Very high	116 Å²	116	63.8 Å²	63.8	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-55.1	-39.4	-177.4	-178.4	61.3	27	0	0	112.7	I486 V490 L491 E492	I486-Q488 PolarHBondContact O-N 2.79Å; Q488-V490 VanDerWaalsContact C-N 3.28Å; Q488-V490 PolarHBondContact O-N 3.28Å; Q488-L491 WeakPolarHBondContact O-CB 3.12Å; Q488-L491 PolarHBondContact O-N 3.15Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.25Å; Q488-E492 PolarHBondContact NE2-OE1 2.91Å; Q488-E492 WeakPolarHBondContact O-CG 3.38Å; Q488-E492 PolarHBondContact O-N 3.41Å
489	E	89.6	Confident	93.6	Very high	114 Å²	114	67.5 Å²	67.5	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-35.5	177.9	-169.1	-169	153.4	0	0	112.2	E487 K493	E487-E489 VanDerWaalsContact C-N 3.25Å; E487-E489 PolarHBondContact O-N 3.12Å; E489-K493 WeakPolarHBondContact O-CG 3.34Å; E489-K493 PolarHBondContact O-N 3.32Å; E489-K493 VanDerWaalsContact O-N 3.14Å; E489-K493 VanDerWaalsContact OE1-CE 3.31Å; E489-K493 WeakPolarHBondContact OE1-CE 3.4Å; E489-K493 IonicContact OE1-NZ 3.21Å; E489-K493 PolarHBondContact OE1-NZ 3.08Å
490	V	89.6	Confident	93.3	Very high	34 Å²	34	65.9 Å²	65.9	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-70.9	-41.6	177	179.7	0	0	0	0	110	I486 E487 Q488 K493 M494 Y515	I486-V490 HydrophobicContact CD1-CB 4.26Å; I486-V490 HydrophobicContact CD1-CG1 3.65Å; I486-V490 HydrophobicContact CG1-CB 4.13Å; I486-V490 HydrophobicContact CG1-CG1 4.05Å; E487-V490 HydrophobicContact CB-CG2 4.1Å; E487-V490 WeakPolarHBondContact O-CB 3.32Å; E487-V490 PolarHBondContact O-N 3.21Å; Q488-V490 VanDerWaalsContact C-N 3.28Å; Q488-V490 PolarHBondContact O-N 3.28Å; V490-K493 PolarHBondContact O-N 2.95Å; V490-M494 HydrophobicContact CG1-CE 4Å; V490-M494 WeakPolarHBondContact O-CG 3.22Å; V490-M494 PolarHBondContact O-N 3.31Å; V490-Y515 VanDerWaalsContact CG1-OH 3.31Å; V490-Y515 WeakPolarHBondContact CG1-OH 3.29Å
491	L	90.7	Very high	93.2	Very high	28 Å²	28	61.3 Å²	61.3	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-46.9	175.9	-161.8	75.6	0	0	0	111.4	Y457 V467 V469 I486 E487 Q488 K493 M494 N495	Y457-L491 HydrophobicContact CD2-CD1 4.19Å; Y457-L491 HydrophobicContact CE2-CD1 3.55Å; Y457-L491 HydrophobicContact CE2-CG 4.17Å; V467-L491 HydrophobicContact CG1-CD1 4.36Å; V469-L491 HydrophobicContact CG2-CD1 3.91Å; I486-L491 HydrophobicContact CG2-CB 4.29Å; I486-L491 HydrophobicContact CG2-CD1 3.78Å; E487-L491 PolarHBondContact O-N 2.91Å; E487-L491 VanDerWaalsContact O-N 3.11Å; Q488-L491 WeakPolarHBondContact O-CB 3.12Å; Q488-L491 PolarHBondContact O-N 3.15Å; L491-K493 VanDerWaalsContact C-N 3.34Å; L491-K493 PolarHBondContact O-N 3.18Å; L491-M494 WeakPolarHBondContact O-CB 3.35Å; L491-M494 PolarHBondContact O-N 2.96Å; L491-M494 VanDerWaalsContact O-N 3.13Å; L491-N495 PolarHBondContact O-N 2.88Å
492	E	90.6	Very high	93	Very high	93 Å²	93	62.8 Å²	62.8	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-39.5	177.3	-72.8	169.7	-173	0	0	112.2	Q488 M494 N495 H496	Q488-E492 WeakPolarHBondContact CG-OE1 3.25Å; Q488-E492 PolarHBondContact NE2-OE1 2.91Å; Q488-E492 WeakPolarHBondContact O-CG 3.38Å; Q488-E492 PolarHBondContact O-N 3.41Å; E492-M494 VanDerWaalsContact C-N 3.34Å; E492-M494 PolarHBondContact O-N 2.8Å; E492-N495 PolarHBondContact O-N 2.93Å; E492-H496 WeakPolarHBondContact O-CB 3.36Å; E492-H496 PolarHBondContact O-N 3.48Å; E492-H496 PolarHBondContact O-ND1 3.44Å
493	K	89.4	Confident	92.9	Very high	94 Å²	94	62 Å²	62	41%	0.409	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-40.5	173.7	-75.2	170.8	-173.7	164	0	112.1	E489 V490 L491 R497	E489-K493 WeakPolarHBondContact O-CG 3.34Å; E489-K493 PolarHBondContact O-N 3.32Å; E489-K493 VanDerWaalsContact O-N 3.14Å; E489-K493 VanDerWaalsContact OE1-CE 3.31Å; E489-K493 WeakPolarHBondContact OE1-CE 3.4Å; E489-K493 IonicContact OE1-NZ 3.21Å; E489-K493 PolarHBondContact OE1-NZ 3.08Å; V490-K493 PolarHBondContact O-N 2.95Å; L491-K493 VanDerWaalsContact C-N 3.34Å; L491-K493 PolarHBondContact O-N 3.18Å; K493-R497 PolarHBondContact O-N 3.23Å; K493-R497 VanDerWaalsContact O-N 3.07Å
494	M	92.1	Very high	92.8	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-45.9	176.9	-67.9	175.9	170.3	0	0	111.6	L455 Y457 V469 I486 V490 L491 E492 H496 R497 L498 Y515	L455-M494 HydrophobicContact CB-CE 4.09Å; L455-M494 HydrophobicContact CD1-CE 3.45Å; L455-M494 VanDerWaalsContact CD1-CE 3.45Å; L455-M494 HydrophobicContact CG-CE 4.23Å; Y457-M494 HydrophobicContact CD1-CB 3.83Å; Y457-M494 HydrophobicContact CD2-CB 3.58Å; Y457-M494 HydrophobicContact CD2-CG 4.2Å; Y457-M494 HydrophobicContact CD2-SD 3.53Å; Y457-M494 VanDerWaalsContact CD2-SD 3.53Å; Y457-M494 HydrophobicContact CE1-CB 4.21Å; Y457-M494 HydrophobicContact CE2-CB 4.01Å; Y457-M494 HydrophobicContact CE2-SD 4.45Å; Y457-M494 HydrophobicContact CG-CB 3.5Å; Y457-M494 VanDerWaalsContact CG-CB 3.5Å; Y457-M494 HydrophobicContact CG-CG 4.21Å; Y457-M494 HydrophobicContact CG-SD 3.9Å; V469-M494 HydrophobicContact CG1-CE 4.17Å; V469-M494 HydrophobicContact CG1-SD 4.09Å; I486-M494 HydrophobicContact CD1-CE 3.84Å; I486-M494 HydrophobicContact CD1-SD 4.3Å; V490-M494 HydrophobicContact CG1-CE 4Å; V490-M494 WeakPolarHBondContact O-CG 3.22Å; V490-M494 PolarHBondContact O-N 3.31Å; L491-M494 WeakPolarHBondContact O-CB 3.35Å; L491-M494 PolarHBondContact O-N 2.96Å; L491-M494 VanDerWaalsContact O-N 3.13Å; E492-M494 VanDerWaalsContact C-N 3.34Å; E492-M494 PolarHBondContact O-N 2.8Å; M494-H496 PolarHBondContact O-N 2.54Å; M494-R497 WeakPolarHBondContact O-CB 3.35Å; M494-R497 PolarHBondContact O-N 3.43Å; M494-R497 VanDerWaalsContact O-N 3.15Å; M494-L498 PolarHBondContact O-N 2.88Å; M494-Y515 HydrophobicContact CE-CE2 4.43Å; M494-Y515 WeakPolarHBondContact CE-OH 3.48Å; M494-Y515 WeakPolarHBondContact CG-OH 3.13Å
495	N	93.4	Very high	92.8	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-56.2	-49.5	173.8	168.8	-95.1	0	0	0	111.3	Y457 E459 L491 E492 R497 L498 M499	Y457-N495 HydrophobicContact CE1-CB 4.38Å; E459-N495 PolarHBondContact OE1-ND2 3.2Å; E459-N495 PolarHBondContact OE2-ND2 3.14Å; L491-N495 PolarHBondContact O-N 2.88Å; E492-N495 PolarHBondContact O-N 2.93Å; N495-R497 VanDerWaalsContact C-N 3.27Å; N495-R497 PolarHBondContact O-N 3.41Å; N495-L498 WeakPolarHBondContact O-CB 3.29Å; N495-L498 PolarHBondContact O-N 2.99Å; N495-L498 VanDerWaalsContact O-N 3.08Å; N495-M499 WeakPolarHBondContact O-CG 3.32Å; N495-M499 PolarHBondContact O-N 3.03Å
496	H	90.8	Very high	92.8	Very high	75 Å²	75	49.3 Å²	49.3	35%	0.347	25%	0.247	S	C	.	.	H	α-helix	trans	-58.3	-39.9	176.9	-71.7	162.8	0	0	0	112.3	E492 M494 M499 M500 F521	E492-H496 WeakPolarHBondContact O-CB 3.36Å; E492-H496 PolarHBondContact O-N 3.48Å; E492-H496 PolarHBondContact O-ND1 3.44Å; M494-H496 PolarHBondContact O-N 2.54Å; H496-M499 PolarHBondContact O-N 3.46Å; H496-M500 WeakPolarHBondContact O-CG 3.33Å; H496-M500 PolarHBondContact O-N 3.27Å; H496-F521 HydrophobicContact CB-CE2 4.32Å
497	R	93.4	Very high	92.8	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.011	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-44.3	175.5	-174.2	45.8	169	170.3	4.2	111.7	D402 V446 K493 M494 N495 M499 M500 L501 T511 P512 V514	D402-R497 WeakPolarHBondContact OD2-CG 3.02Å; D402-R497 IonicContact OD2-CZ 3.92Å; D402-R497 IonicContact OD2-NE 2.61Å; D402-R497 PolarHBondContact OD2-NE 2.97Å; D402-R497 IonicContact OD2-NH2 3.73Å; V446-R497 HydrophobicContact CG1-CG 4.01Å; V446-R497 HydrophobicContact CG2-CB 4.43Å; V446-R497 HydrophobicContact CG2-CG 4.18Å; K493-R497 PolarHBondContact O-N 3.23Å; K493-R497 VanDerWaalsContact O-N 3.07Å; M494-R497 WeakPolarHBondContact O-CB 3.35Å; M494-R497 PolarHBondContact O-N 3.43Å; M494-R497 VanDerWaalsContact O-N 3.15Å; N495-R497 VanDerWaalsContact C-N 3.27Å; N495-R497 PolarHBondContact O-N 3.41Å; R497-M499 VanDerWaalsContact C-N 3.35Å; R497-M500 PolarHBondContact O-N 2.91Å; R497-L501 HydrophobicContact CG-CD1 4.11Å; R497-L501 WeakPolarHBondContact O-CG 3.46Å; R497-L501 PolarHBondContact O-N 3.42Å; R497-T511 PolarHBondContact NH1-OG1 3.44Å; R497-T511 PolarHBondContact NH2-O 3.37Å; R497-P512 PolarHBondContact NH2-O 2.9Å; R497-V514 HydrophobicContact CB-CB 4.43Å; R497-V514 HydrophobicContact CB-CG1 3.59Å; R497-V514 HydrophobicContact CB-CG2 3.97Å; R497-V514 HydrophobicContact CG-CG1 3.91Å; R497-V514 HydrophobicContact CG-CG2 4.08Å
498	L	95.9	Very high	92.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-50.1	177.8	-175.9	58.7	0	0	0	110.3	L404 A444 V446 Y457 E459 M494 N495 M500 L501 Q502	L404-L498 HydrophobicContact CD1-CD1 3.79Å; A444-L498 HydrophobicContact CB-CD1 3.8Å; V446-L498 HydrophobicContact CG2-CB 3.7Å; V446-L498 HydrophobicContact CG2-CD1 3.72Å; V446-L498 HydrophobicContact CG2-CG 4.31Å; Y457-L498 HydrophobicContact CD1-CB 4.37Å; Y457-L498 HydrophobicContact CD1-CD2 4.13Å; Y457-L498 HydrophobicContact CE1-CB 4.27Å; Y457-L498 HydrophobicContact CE1-CD2 3.82Å; E459-L498 HydrophobicContact CB-CD2 3.9Å; E459-L498 HydrophobicContact CG-CD2 3.86Å; M494-L498 PolarHBondContact O-N 2.88Å; N495-L498 WeakPolarHBondContact O-CB 3.29Å; N495-L498 PolarHBondContact O-N 2.99Å; N495-L498 VanDerWaalsContact O-N 3.08Å; L498-M500 VanDerWaalsContact C-N 3.33Å; L498-M500 PolarHBondContact O-N 2.8Å; L498-L501 PolarHBondContact O-N 3.11Å; L498-L501 VanDerWaalsContact O-N 3.11Å; L498-Q502 HydrophobicContact CD1-CG 4.14Å; L498-Q502 HydrophobicContact CG-CG 4.4Å; L498-Q502 WeakPolarHBondContact O-CG 3.37Å; L498-Q502 PolarHBondContact O-N 3.48Å
499	M	93.4	Very high	92.8	Very high	81 Å²	81	45.1 Å²	45.1	40%	0.399	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-41.3	177.2	-66.8	179.1	72.4	0	0	112.8	N495 H496 R497 S503 L526	N495-M499 WeakPolarHBondContact O-CG 3.32Å; N495-M499 PolarHBondContact O-N 3.03Å; H496-M499 PolarHBondContact O-N 3.46Å; R497-M499 VanDerWaalsContact C-N 3.35Å; M499-S503 WeakPolarHBondContact O-CB 3.36Å; M499-S503 PolarHBondContact O-N 2.74Å; M499-S503 PolarHBondContact O-OG 3.16Å; M499-L526 HydrophobicContact CB-CD2 4.16Å
500	M	92.5	Very high	92.8	Very high	15 Å²	15	41.9 Å²	41.9	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-41.8	176.3	-75.2	-177	73.5	0	0	111.9	H496 R497 L498 S503 C504 F519 F521 Q525 L526	H496-M500 WeakPolarHBondContact O-CG 3.33Å; H496-M500 PolarHBondContact O-N 3.27Å; R497-M500 PolarHBondContact O-N 2.91Å; L498-M500 VanDerWaalsContact C-N 3.33Å; L498-M500 PolarHBondContact O-N 2.8Å; M500-S503 PolarHBondContact O-OG 3Å; M500-C504 WeakPolarHBondContact O-CB 3.38Å; M500-C504 PolarHBondContact O-N 2.93Å; M500-F519 HydrophobicContact SD-CE2 4.24Å; M500-F519 HydrophobicContact SD-CZ 4.15Å; M500-F521 HydrophobicContact SD-CD2 4.37Å; M500-F521 HydrophobicContact SD-CE2 4.45Å; M500-Q525 HydrophobicContact CE-CB 4.34Å; M500-L526 HydrophobicContact CG-CD2 3.6Å; M500-L526 HydrophobicContact CG-CG 4.14Å
501	L	95.2	Very high	92.7	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-72.8	-39.1	-180	-72	174.3	0	0	0	112.2	H95 D402 L404 V446 R497 L498 S503 C504	H95-L501 PolarHBondContact CE1-O 3.12Å; D402-L501 HydrophobicContact CB-CD1 4.28Å; L404-L501 HydrophobicContact CB-CB 4.18Å; L404-L501 HydrophobicContact CB-CD1 4.31Å; L404-L501 HydrophobicContact CD1-CB 4.09Å; L404-L501 HydrophobicContact CD2-CB 4.18Å; L404-L501 HydrophobicContact CG-CB 4.38Å; V446-L501 HydrophobicContact CG1-CD1 4.17Å; V446-L501 HydrophobicContact CG2-CD1 4.1Å; R497-L501 HydrophobicContact CG-CD1 4.11Å; R497-L501 WeakPolarHBondContact O-CG 3.46Å; R497-L501 PolarHBondContact O-N 3.42Å; L498-L501 PolarHBondContact O-N 3.11Å; L498-L501 VanDerWaalsContact O-N 3.11Å; L501-S503 PolarHBondContact O-N 2.99Å; L501-C504 PolarHBondContact O-N 2.99Å; L501-C504 PolarHBondContact O-SG 3.47Å
502	Q	95.3	Very high	92.5	Very high	56 Å²	56	42 Å²	42	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-70.5	-12.7	177	-70.3	-178.2	-65.7	0	0	114.2	L404 A444 L498	L404-Q502 HydrophobicContact CD1-CG 4.05Å; A444-Q502 HydrophobicContact CB-CG 4.05Å; L498-Q502 HydrophobicContact CD1-CG 4.14Å; L498-Q502 HydrophobicContact CG-CG 4.4Å; L498-Q502 WeakPolarHBondContact O-CG 3.37Å; L498-Q502 PolarHBondContact O-N 3.48Å
503	S	93.9	Very high	92.2	Very high	34 Å²	34	37.6 Å²	37.6	24%	0.238	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	1.2	-179.8	60.3	0	0	0	0	113.6	M499 M500 L501 S529	M499-S503 WeakPolarHBondContact O-CB 3.36Å; M499-S503 PolarHBondContact O-N 2.74Å; M499-S503 PolarHBondContact O-OG 3.16Å; M500-S503 PolarHBondContact O-OG 3Å; L501-S503 PolarHBondContact O-N 2.99Å; S503-S529 PolarHBondContact O-OG 3Å
504	C	94.9	Very high	91.9	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.034	19%	0.186	C	C	.	.			trans	-79.1	160.3	-177.1	80	0	0	0	0	112	H95 N96 M500 L501 T508 C509	H95-C504 PolarHBondContact NE2-O 3.35Å; N96-C504 PolarHBondContact ND2-O 2.63Å; N96-C504 PolarHBondContact OD1-O 3.43Å; M500-C504 WeakPolarHBondContact O-CB 3.38Å; M500-C504 PolarHBondContact O-N 2.93Å; L501-C504 PolarHBondContact O-N 2.99Å; L501-C504 PolarHBondContact O-SG 3.47Å; C504-T508 WeakPolarHBondContact CA-OG1 3.08Å; C504-C509 HydrophobicContact CB-CB 3.88Å; C504-C509 WeakPolarHBondContact CB-SG 3.35Å; C504-C509 WeakPolarHBondContact SG-CA 3.34Å; C504-C509 WeakPolarHBondContact SG-CB 3.09Å; C504-C509 CovalentContact SG-SG 2.03Å; C504-C509 PolarHBondContact SG-SG 2.98Å
505	S	95.8	Very high	91.4	Very high	56 Å²	56	36.8 Å²	36.8	39%	0.392	20%	0.195	S	C	.	.			trans	-156.2	134.9	170.5	-165.4	0	0	0	0	110.3	N96 Q507 T508 C509	N96-S505 PolarHBondContact OD1-OG 3.16Å; S505-Q507 PolarHBondContact O-N 3.39Å; S505-T508 PolarHBondContact N-OG1 2.94Å; S505-T508 PolarHBondContact O-N 3.06Å; S505-T508 PolarHBondContact O-OG1 3.23Å; S505-C509 PolarHBondContact N-SG 3.25Å; S505-C509 VanDerWaalsContact N-SG 3.36Å
506	G	94.9	Very high	90.8	Very high	7 Å²	7	35.8 Å²	35.8	7%	0.072	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	56.1	-122.8	-176.5	0	0	0	0	0	111.9	M381 D382 T508 C509	M381-G506 WeakPolarHBondContact O-CA 3.48Å; D382-G506 WeakPolarHBondContact OD1-CA 3.22Å; D382-G506 PolarHBondContact OD1-N 3.21Å; G506-T508 PolarHBondContact O-N 3.08Å; G506-C509 WeakPolarHBondContact O-CB 3.12Å; G506-C509 PolarHBondContact O-N 3.44Å; G506-C509 VanDerWaalsContact O-N 3.15Å
507	Q	91.8	Very high	90.2	Very high	120 Å²	120	44.3 Å²	44.3	56%	0.561	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-64.6	-25	-174.5	-64.1	-178.1	11.6	0	0	113.8	S505 C509 R510	S505-Q507 PolarHBondContact O-N 3.39Å; Q507-C509 PolarHBondContact O-N 3.16Å; Q507-R510 WeakPolarHBondContact O-CB 3.35Å; Q507-R510 PolarHBondContact O-N 3.03Å; Q507-R510 VanDerWaalsContact O-N 3.11Å
508	T	91.6	Very high	89.7	Confident	76 Å²	76	48.8 Å²	48.8	47%	0.466	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-70.9	-16.6	179.5	64.7	0	0	0	0	112.5	C504 S505 G506 R510 T511	C504-T508 WeakPolarHBondContact CA-OG1 3.08Å; S505-T508 PolarHBondContact N-OG1 2.94Å; S505-T508 PolarHBondContact O-N 3.06Å; S505-T508 PolarHBondContact O-OG1 3.23Å; G506-T508 PolarHBondContact O-N 3.08Å; T508-R510 VanDerWaalsContact C-N 3.27Å; T508-R510 PolarHBondContact O-N 2.88Å; T508-T511 WeakPolarHBondContact O-CG2 3.2Å
509	C	93.9	Very high	88.9	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.034	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-75.3	-15.3	172.4	-61.3	0	0	0	0	113.5	Y93 D382 C504 S505 G506 Q507 T511	Y93-C509 HydrophobicContact CE2-CB 4.41Å; D382-C509 HydrophobicContact CB-CB 3.85Å; D382-C509 VanDerWaalsContact CG-SG 3.59Å; C504-C509 HydrophobicContact CB-CB 3.88Å; C504-C509 WeakPolarHBondContact CB-SG 3.35Å; C504-C509 WeakPolarHBondContact SG-CA 3.34Å; C504-C509 WeakPolarHBondContact SG-CB 3.09Å; C504-C509 CovalentContact SG-SG 2.03Å; C504-C509 PolarHBondContact SG-SG 2.98Å; S505-C509 PolarHBondContact N-SG 3.25Å; S505-C509 VanDerWaalsContact N-SG 3.36Å; G506-C509 WeakPolarHBondContact O-CB 3.12Å; G506-C509 PolarHBondContact O-N 3.44Å; G506-C509 VanDerWaalsContact O-N 3.15Å; Q507-C509 PolarHBondContact O-N 3.16Å; C509-T511 VanDerWaalsContact C-N 3.27Å; C509-T511 PolarHBondContact O-N 2.04Å
510	R	90.7	Very high	88.1	Confident	46 Å²	46	55.7 Å²	55.7	17%	0.174	26%	0.264	C	S	.	.			trans	-92.8	25.9	-170.8	-53.7	178.5	-175.6	173.2	2.8	113	M381 D382 G383 M384 Q507 T508	M381-R510 PolarHBondContact O-NH2 3.04Å; D382-R510 WeakPolarHBondContact O-CG 3.35Å; G383-R510 PolarHBondContact O-NE 2.8Å; G383-R510 PolarHBondContact O-NH2 3.5Å; M384-R510 HydrophobicContact CG-CB 3.9Å; M384-R510 HydrophobicContact CG-CG 3.59Å; M384-R510 HydrophobicContact SD-CB 3.76Å; M384-R510 HydrophobicContact SD-CG 4.15Å; Q507-R510 WeakPolarHBondContact O-CB 3.35Å; Q507-R510 PolarHBondContact O-N 3.03Å; Q507-R510 VanDerWaalsContact O-N 3.11Å; T508-R510 VanDerWaalsContact C-N 3.27Å; T508-R510 PolarHBondContact O-N 2.88Å
511	T	86.7	Confident	87.1	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.16	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-82.1	146.4	-175.6	49.7	0	0	0	0	111.5	R497 T508 C509	R497-T511 PolarHBondContact NH1-OG1 3.44Å; R497-T511 PolarHBondContact NH2-O 3.37Å; T508-T511 WeakPolarHBondContact O-CG2 3.2Å; C509-T511 VanDerWaalsContact C-N 3.27Å; C509-T511 PolarHBondContact O-N 2.04Å
512	P	85.2	Confident	85.8	Confident	39 Å²	39	61.9 Å²	61.9	25%	0.253	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-54.2	151.6	170.9	-22.3	32.7	0	0	0	111.3	R497 D516 R518	R497-P512 PolarHBondContact NH2-O 2.9Å; P512-D516 HydrophobicContact CB-CB 4.05Å; P512-R518 HydrophobicContact CB-CB 4.32Å; P512-R518 HydrophobicContact CG-CB 4.23Å
513	G	84.3	Confident	84.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-79.8	164.1	-179.1	0	0	0	0	0	114.1	T401 D402 Y515 D516 F519	T401-G513 VanDerWaalsContact OG1-CA 3.31Å; T401-G513 WeakPolarHBondContact OG1-CA 3.39Å; D402-G513 VanDerWaalsContact CG-CA 3.45Å; D402-G513 WeakPolarHBondContact OD2-CA 3.33Å; G513-Y515 PolarHBondContact O-N 2.77Å; G513-D516 WeakPolarHBondContact O-CA 3.32Å; G513-D516 WeakPolarHBondContact O-CB 3.42Å; G513-D516 PolarHBondContact O-N 3.02Å; G513-F519 VanDerWaalsContact O-CB 3.3Å; G513-F519 WeakPolarHBondContact O-CB 3.33Å
514	V	84.4	Confident	82.9	Confident	27 Å²	27	68 Å²	68	16%	0.164	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.5	-173.3	-75.2	0	0	0	0	114.7	D402 R497 D516 F519	D402-V514 PolarHBondContact OD2-N 3.41Å; D402-V514 VanDerWaalsContact OD2-N 3.11Å; R497-V514 HydrophobicContact CB-CB 4.43Å; R497-V514 HydrophobicContact CB-CG1 3.59Å; R497-V514 HydrophobicContact CB-CG2 3.97Å; R497-V514 HydrophobicContact CG-CG1 3.91Å; R497-V514 HydrophobicContact CG-CG2 4.08Å; V514-D516 VanDerWaalsContact C-N 3.33Å; V514-F519 HydrophobicContact CB-CD1 4.45Å; V514-F519 HydrophobicContact CB-CE1 4.44Å; V514-F519 HydrophobicContact CG1-CD1 4.16Å; V514-F519 HydrophobicContact CG1-CD2 4.24Å; V514-F519 HydrophobicContact CG1-CE1 3.72Å; V514-F519 HydrophobicContact CG1-CE2 3.81Å; V514-F519 HydrophobicContact CG1-CG 4.41Å; V514-F519 HydrophobicContact CG1-CZ 3.54Å
515	Y	81.9	Confident	81.1	Confident	56 Å²	56	72.1 Å²	72.1	22%	0.22	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2.7	174.6	-60.9	-78.6	0	0	0	113	T448 A453 L455 V490 M494 G513	T448-Y515 HydrophobicContact CG2-CD2 3.62Å; T448-Y515 HydrophobicContact CG2-CE2 4.34Å; T448-Y515 HydrophobicContact CG2-CG 4.36Å; A453-Y515 HydrophobicContact CB-CD1 4.28Å; A453-Y515 HydrophobicContact CB-CD2 4.33Å; A453-Y515 HydrophobicContact CB-CG 3.99Å; L455-Y515 HydrophobicContact CD1-CE1 4.23Å; L455-Y515 HydrophobicContact CD1-CE2 3.97Å; V490-Y515 VanDerWaalsContact CG1-OH 3.31Å; V490-Y515 WeakPolarHBondContact CG1-OH 3.29Å; M494-Y515 HydrophobicContact CE-CE2 4.43Å; M494-Y515 WeakPolarHBondContact CE-OH 3.48Å; M494-Y515 WeakPolarHBondContact CG-OH 3.13Å; G513-Y515 PolarHBondContact O-N 2.77Å
516	D	80.3	Confident	79.1	Confident	21 Å²	21	70.6 Å²	70.6	11%	0.112	33%	0.33	C	S	.	.	S	Bend	trans	-84.3	134.5	173.3	-165	-61.5	0	0	0	110.5	P512 G513 V514 R518 F519	P512-D516 HydrophobicContact CB-CB 4.05Å; G513-D516 WeakPolarHBondContact O-CA 3.32Å; G513-D516 WeakPolarHBondContact O-CB 3.42Å; G513-D516 PolarHBondContact O-N 3.02Å; V514-D516 VanDerWaalsContact C-N 3.33Å; D516-R518 PolarHBondContact O-N 3.13Å; D516-R518 VanDerWaalsContact O-N 3.07Å; D516-R518 VanDerWaalsContact OD1-CB 3.24Å; D516-R518 WeakPolarHBondContact OD1-CB 2.97Å; D516-R518 VanDerWaalsContact OD1-CG 3.32Å; D516-R518 WeakPolarHBondContact OD1-CG 3.44Å; D516-R518 IonicContact OD1-CZ 3.51Å; D516-R518 PolarHBondContact OD1-N 3.27Å; D516-R518 IonicContact OD1-NE 3.8Å; D516-R518 PolarHBondContact OD1-NE 3.34Å; D516-R518 IonicContact OD1-NH2 3.08Å; D516-R518 IonicContact OD2-CZ 3.23Å; D516-R518 IonicContact OD2-NE 2.81Å; D516-R518 PolarHBondContact OD2-NE 2.76Å; D516-R518 IonicContact OD2-NH2 2.87Å; D516-R518 PolarHBondContact OD2-NH2 3Å; D516-F519 WeakPolarHBondContact O-CB 3.16Å; D516-F519 PolarHBondContact O-N 3.12Å
517	R	77.5	Confident	77.1	Confident	253 Å²	253	75.7 Å²	75.7	96%	0.955	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.4	179	-65.3	-177.3	179.9	-178	-0.6	113.7	F519	R517-F519 VanDerWaalsContact C-N 3.33Å
518	R	82.5	Confident	75	Confident	98 Å²	98	74.5 Å²	74.5	37%	0.37	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.1	176.5	-59.2	171.1	-66	164.6	-7.7	112.5	S397 S398 W399 P512 D516 K520	S397-R518 WeakPolarHBondContact O-CD 2.88Å; S397-R518 PolarHBondContact O-NE 2.8Å; S397-R518 PolarHBondContact O-NH1 3.16Å; S397-R518 PolarHBondContact O-NH2 3.36Å; S398-R518 VanDerWaalsContact CA-NH1 3.33Å; S398-R518 PolarHBondContact O-NH1 3.05Å; W399-R518 PolarHBondContact O-NH2 2.88Å; P512-R518 HydrophobicContact CB-CB 4.32Å; P512-R518 HydrophobicContact CG-CB 4.23Å; D516-R518 PolarHBondContact O-N 3.13Å; D516-R518 VanDerWaalsContact O-N 3.07Å; D516-R518 VanDerWaalsContact OD1-CB 3.24Å; D516-R518 WeakPolarHBondContact OD1-CB 2.97Å; D516-R518 VanDerWaalsContact OD1-CG 3.32Å; D516-R518 WeakPolarHBondContact OD1-CG 3.44Å; D516-R518 IonicContact OD1-CZ 3.51Å; D516-R518 PolarHBondContact OD1-N 3.27Å; D516-R518 IonicContact OD1-NE 3.8Å; D516-R518 PolarHBondContact OD1-NE 3.34Å; D516-R518 IonicContact OD1-NH2 3.08Å; D516-R518 IonicContact OD2-CZ 3.23Å; D516-R518 IonicContact OD2-NE 2.81Å; D516-R518 PolarHBondContact OD2-NE 2.76Å; D516-R518 IonicContact OD2-NH2 2.87Å; D516-R518 PolarHBondContact OD2-NH2 3Å; R518-K520 PolarHBondContact O-N 2.03Å
519	F	80.9	Confident	72.9	Confident	49 Å²	49	73.6 Å²	73.6	22%	0.215	35%	0.352	C	S	.	.			trans	-62.1	124.9	-179.8	-176.2	-103.2	0	0	0	110.4	M500 G513 V514 D516 R517 F521	M500-F519 HydrophobicContact SD-CE2 4.24Å; M500-F519 HydrophobicContact SD-CZ 4.15Å; G513-F519 VanDerWaalsContact O-CB 3.3Å; G513-F519 WeakPolarHBondContact O-CB 3.33Å; V514-F519 HydrophobicContact CB-CD1 4.45Å; V514-F519 HydrophobicContact CB-CE1 4.44Å; V514-F519 HydrophobicContact CG1-CD1 4.16Å; V514-F519 HydrophobicContact CG1-CD2 4.24Å; V514-F519 HydrophobicContact CG1-CE1 3.72Å; V514-F519 HydrophobicContact CG1-CE2 3.81Å; V514-F519 HydrophobicContact CG1-CG 4.41Å; V514-F519 HydrophobicContact CG1-CZ 3.54Å; D516-F519 WeakPolarHBondContact O-CB 3.16Å; D516-F519 PolarHBondContact O-N 3.12Å; R517-F519 VanDerWaalsContact C-N 3.33Å; F519-F521 HydrophobicContact CE1-CB 3.85Å; F519-F521 HydrophobicContact CE1-CD2 4.45Å; F519-F521 HydrophobicContact CZ-CB 4.2Å; F519-F521 HydrophobicContact CZ-CD2 4.16Å
520	K	76.3	Confident	70.3	Confident	178 Å²	178	81.6 Å²	81.6	77%	0.774	38%	0.381	S	S	*	.			trans	-124.5	111.7	170.4	-67	-171.9	179	-174.8	0	106.8	R518 N522	R518-K520 PolarHBondContact O-N 2.03Å; K520-N522 PolarHBondContact O-N 2.87Å
521	F	70.3	Confident	67.6	Low	92 Å²	92	84.2 Å²	84.2	40%	0.404	41%	0.407	S	S	.	.			trans	-62.4	120.8	174.7	-176.3	-109.6	0	0	0	109.1	H496 M500 F519 P523 L526	H496-F521 HydrophobicContact CB-CE2 4.32Å; M500-F521 HydrophobicContact SD-CD2 4.37Å; M500-F521 HydrophobicContact SD-CE2 4.45Å; F519-F521 HydrophobicContact CE1-CB 3.85Å; F519-F521 HydrophobicContact CE1-CD2 4.45Å; F519-F521 HydrophobicContact CZ-CB 4.2Å; F519-F521 HydrophobicContact CZ-CD2 4.16Å; F521-P523 HydrophobicContact CD1-CG 4.08Å; F521-P523 HydrophobicContact CE1-CB 4.25Å; F521-P523 HydrophobicContact CE1-CG 3.68Å; F521-L526 HydrophobicContact CE2-CD1 3.92Å; F521-L526 HydrophobicContact CZ-CD1 3.7Å
522	N	68.8	Low	65.1	Low	56 Å²	56	92.9 Å²	92.9	30%	0.299	44%	0.437	S	S	.	.			trans	-120.6	106.5	171.3	-176.8	-8.6	0	0	0	108.9	K520 Q524 Q525	K520-N522 PolarHBondContact O-N 2.87Å; N522-Q524 PolarHBondContact O-N 3.3Å; N522-Q524 VanDerWaalsContact O-N 3.07Å; N522-Q524 VanDerWaalsContact OD1-CB 3.32Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.15Å; N522-Q524 PolarHBondContact OD1-N 3.22Å; N522-Q525 HydrophobicContact CB-CG 4.13Å; N522-Q525 WeakPolarHBondContact O-CB 3.45Å; N522-Q525 PolarHBondContact O-N 2.87Å
523	P	64.1	Low	62.8	Low	69 Å²	69	100.6 Å²	100.6	45%	0.448	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-55.8	-27.8	179.8	-19.6	26.1	0	0	0	113.7	F521 Q525 L526 F527	F521-P523 HydrophobicContact CD1-CG 4.08Å; F521-P523 HydrophobicContact CE1-CB 4.25Å; F521-P523 HydrophobicContact CE1-CG 3.68Å; P523-Q525 PolarHBondContact O-N 3.13Å; P523-L526 WeakPolarHBondContact O-CB 3.25Å; P523-L526 PolarHBondContact O-N 3.01Å; P523-F527 VanDerWaalsContact O-CD2 3.25Å; P523-F527 WeakPolarHBondContact O-CD2 3.44Å
524	Q	63.5	Low	60.1	Low	150 Å²	150	108.7 Å²	108.7	70%	0.701	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-66.7	-25.7	-179.3	-61.9	173.5	-19.5	0	0	112.5	N522 L526 F527 S528	N522-Q524 PolarHBondContact O-N 3.3Å; N522-Q524 VanDerWaalsContact O-N 3.07Å; N522-Q524 VanDerWaalsContact OD1-CB 3.32Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.15Å; N522-Q524 PolarHBondContact OD1-N 3.22Å; Q524-L526 VanDerWaalsContact C-N 3.26Å; Q524-L526 PolarHBondContact O-N 3.14Å; Q524-F527 PolarHBondContact O-N 3.22Å; Q524-S528 PolarHBondContact O-N 2.76Å
525	Q	57.3	Low	57.6	Low	90 Å²	90	112 Å²	112	42%	0.421	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-71.3	-20.1	177.3	-67.9	-178.1	-15.1	0	0	112.8	M500 N522 P523 F527	M500-Q525 HydrophobicContact CE-CB 4.34Å; N522-Q525 HydrophobicContact CB-CG 4.13Å; N522-Q525 WeakPolarHBondContact O-CB 3.45Å; N522-Q525 PolarHBondContact O-N 2.87Å; P523-Q525 PolarHBondContact O-N 3.13Å; Q525-F527 VanDerWaalsContact C-N 3.31Å
526	L	53.8	Low	55.5	Low	25 Å²	25	120.5 Å²	120.5	13%	0.131	56%	0.559	C	S	.	*	G	3₁₀ helix	trans	-74.8	-20	176.1	-73.9	160.3	0	0	0	113.1	M499 M500 F521 P523 Q524	M499-L526 HydrophobicContact CB-CD2 4.16Å; M500-L526 HydrophobicContact CG-CD2 3.6Å; M500-L526 HydrophobicContact CG-CG 4.14Å; F521-L526 HydrophobicContact CE2-CD1 3.92Å; F521-L526 HydrophobicContact CZ-CD1 3.7Å; P523-L526 WeakPolarHBondContact O-CB 3.25Å; P523-L526 PolarHBondContact O-N 3.01Å; Q524-L526 VanDerWaalsContact C-N 3.26Å; Q524-L526 PolarHBondContact O-N 3.14Å
527	F	52.5	Low	53.2	Low	113 Å²	113	128.1 Å²	128.1	50%	0.496	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.5	-8	-170.5	-58.6	-73.1	0	0	0	114.2	P523 Q524 Q525 S529 R530	P523-F527 VanDerWaalsContact O-CD2 3.25Å; P523-F527 WeakPolarHBondContact O-CD2 3.44Å; Q524-F527 PolarHBondContact O-N 3.22Å; Q525-F527 VanDerWaalsContact C-N 3.31Å; F527-S529 PolarHBondContact O-N 3.5Å; F527-R530 PolarHBondContact O-N 3.29Å
528	S	48.3	Very low	51.2	Low	95 Å²	95	119 Å²	119	66%	0.664	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-12.4	-176.8	56.8	0	0	0	0	114.8	Q524	Q524-S528 PolarHBondContact O-N 2.76Å
529	S	47.3	Very low	48.7	Very low	57 Å²	57	127.4 Å²	127.4	40%	0.399	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.1	6.2	178.8	55.9	0	0	0	0	114.7	S503 F527 S531	S503-S529 PolarHBondContact O-OG 3Å; F527-S529 PolarHBondContact O-N 3.5Å; S529-S531 VanDerWaalsContact C-N 3.29Å; S529-S531 PolarHBondContact O-N 3.11Å
530	R	40.7	Very low	47.1	Very low	173 Å²	173	131.4 Å²	131.4	65%	0.653	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	21.6	-169.4	-85.1	-161	-177.4	-159.7	-3	118	F527 W532	F527-R530 PolarHBondContact O-N 3.29Å; R530-W532 PolarHBondContact O-N 2.94Å
531	S	32.9	Very low	45.5	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-2.5	176.4	59.4	0	0	0	0	115.7	S529	S529-S531 VanDerWaalsContact C-N 3.29Å; S529-S531 PolarHBondContact O-N 3.11Å
532	W	35.1	Very low	44.2	Very low	209 Å²	209	130.9 Å²	130.9	79%	0.792	65%	0.654	S	S	*	*	S	Bend	trans	-126.4	1.9	-169	-74.5	96.3	0	0	0	118.7	R530	R530-W532 PolarHBondContact O-N 2.94Å
533	R	35.3	Very low	42.7	Very low	201 Å²	201	135.4 Å²	135.4	76%	0.758	68%	0.675	S	S	*	*	S	Bend	trans	-103.6	5.8	-177.7	-79.4	-166.8	-169.2	-159.3	6.1	116.8
534	L	29.3	Very low	41.4	Very low	170 Å²	170	139.5 Å²	139.5	89%	0.89	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	7.2	178.7	-82.9	167.3	0	0	0	115.4
535	S	31.5	Very low	39.9	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	12.7	-174.9	56	0	0	0	0	116.3
536	R	37.4	Very low	38.7	Very low	235 Å²	235	142.3 Å²	142.3	89%	0.887	71%	0.708	S	S	*	*	S	Bend	trans	-118.1	26.8	177.5	-72.1	-166.3	-173.2	-169.8	3.5	115.4
537	L	31.6	Very low	37.5	Very low	180 Å²	180	151.3 Å²	151.3	94%	0.942	75%	0.752	S	S	*	*	S	Bend	trans	-120.6	30.1	169.3	-83.1	168.3	0	0	0	113.1
538	G	35.8	Very low	36.3	Very low	61 Å²	61	154.5 Å²	154.5	63%	0.629	77%	0.773	S	S	*	*			trans	-170.8	79.2	174.3	0	0	0	0	0	112.5
539	Q	30	Very low	35.2	Very low	276 Å²	276	159.9 Å²	159.9	100%	1.29	78%	0.783	S	S	*	*			trans	-165.9	0	145.7	-107.4	170.4	39.9	0	0	110.1

Retrieved 539 of 539 residues in 197.6 ms (Link to these results)

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