G4VRB5_SCHMA Loading...

Putative ectonucleotide pyrophosphatase/phosphodiesterase

AlphaFold DB , UniProt , Accession G4VRB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 547 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	43.5	Very low	247 Å²	247	152.8 Å²	152.8	100%	1.217	81%	0.808	S	S	*	*				0	107.6	0	-79.4	172.7	163.7	0	0	106.2
2	S	40	Very low	43.8	Very low	107 Å²	107	152.8 Å²	152.8	75%	0.748	81%	0.808	S	S	*	*			trans	-83.1	140.5	-167.8	48.7	0	0	0	0	112.3	E4	S2-E4 PolarHBondContact O-N 3.11Å; S2-E4 VanDerWaalsContact O-N 3.11Å
3	T	43	Very low	43.7	Very low	144 Å²	144	150.2 Å²	150.2	88%	0.883	79%	0.794	S	S	*	*	S	Bend	trans	-81.7	38.1	-174.4	-33.1	0	0	0	0	113.6
4	E	45.4	Very low	43.9	Very low	168 Å²	168	145.6 Å²	145.6	79%	0.785	78%	0.777	S	S	*	*			trans	-129.7	24.6	-166.5	-87	-174.4	165.5	0	0	116.8	S2	S2-E4 PolarHBondContact O-N 3.11Å; S2-E4 VanDerWaalsContact O-N 3.11Å
5	Q	41.8	Very low	44	Very low	193 Å²	193	140.8 Å²	140.8	90%	0.902	76%	0.757	S	S	*	*			trans	-128.9	31.2	177.7	-80.7	-169.2	-26.7	0	0	116.7
6	I	45.8	Very low	44.5	Very low	150 Å²	150	138.8 Å²	138.8	77%	0.769	75%	0.754	S	S	*	*			trans	-121.5	68.7	164.1	-48.5	177.5	0	0	0	108.7	Q8	I6-Q8 VanDerWaalsContact C-N 3.35Å; I6-Q8 HydrophobicContact CG2-CB 4.22Å
7	I	42.8	Very low	44.4	Very low	173 Å²	173	140.6 Å²	140.6	89%	0.887	75%	0.749	S	S	*	*			trans	-93.3	86.9	150.1	-61.4	176.4	0	0	0	103.7
8	Q	43.9	Very low	44.6	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.762	74%	0.737	S	S	*	*			trans	-73.9	127	173.4	-142.2	171	-21.5	0	0	106.7	I6 D10	I6-Q8 VanDerWaalsContact C-N 3.35Å; I6-Q8 HydrophobicContact CG2-CB 4.22Å; Q8-D10 PolarHBondContact O-N 3.01Å
9	D	42.9	Very low	44.8	Very low	127 Å²	127	142.2 Å²	142.2	68%	0.679	74%	0.741	S	S	*	*			trans	-45.9	116.3	178.4	-170	16.9	0	0	0	111.1	S11	D9-S11 PolarHBondContact O-N 2.95Å; D9-S11 PolarHBondContact OD1-OG 3.49Å; D9-S11 PolarHBondContact OD2-OG 3.45Å
10	D	47.2	Very low	45.2	Very low	128 Å²	128	140.5 Å²	140.5	68%	0.684	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-74.2	14.3	-174.3	-120.4	0.2	0	0	0	112.5	Q8 D12 L13	Q8-D10 PolarHBondContact O-N 3.01Å; D10-D12 VanDerWaalsContact C-N 3.32Å; D10-D12 PolarHBondContact O-N 3.22Å; D10-L13 WeakPolarHBondContact OD1-CD1 3.11Å
11	S	49.5	Very low	46.2	Very low	81 Å²	81	137.2 Å²	137.2	57%	0.566	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-77.5	-12.9	-174.7	58.7	0	0	0	0	114.1	D9	D9-S11 PolarHBondContact O-N 2.95Å; D9-S11 PolarHBondContact OD1-OG 3.49Å; D9-S11 PolarHBondContact OD2-OG 3.45Å
12	D	46.9	Very low	47.6	Very low	153 Å²	153	131.9 Å²	131.9	82%	0.818	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-98.3	4.1	177.5	-82.4	-24.5	0	0	0	114.3	D10	D10-D12 VanDerWaalsContact C-N 3.32Å; D10-D12 PolarHBondContact O-N 3.22Å
13	L	42.9	Very low	48.9	Very low	119 Å²	119	131.9 Å²	131.9	62%	0.623	68%	0.675	S	S	*	*	S	Bend	trans	-81.4	121.8	173	-75.2	175	0	0	0	110.7	D10	D10-L13 WeakPolarHBondContact OD1-CD1 3.11Å
14	P	46.3	Very low	50	Low	85 Å²	85	127.4 Å²	127.4	55%	0.552	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-61	144.8	178.3	23.4	-31.4	0	0	0	111
15	P	46	Very low	51.1	Low	74 Å²	74	122.5 Å²	122.5	48%	0.481	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-55.4	138.4	-171.6	-6.9	5.7	0	0	0	111.9	Y17	P15-Y17 PolarHBondContact O-N 3.36Å
16	P	51.1	Low	52.6	Low	109 Å²	109	122.4 Å²	122.4	71%	0.708	62%	0.619	S	S	*	*	S	Bend	trans	-71.9	1.4	-170	-10.4	23.2	0	0	0	115.3
17	Y	42.7	Very low	53.7	Low	169 Å²	169	121.8 Å²	121.8	66%	0.663	61%	0.607	S	S	*	*			trans	-147.1	109.8	-171.5	22	-93.9	0	0	0	111.6	P15	P15-Y17 PolarHBondContact O-N 3.36Å
18	Y	49.1	Very low	54.8	Low	135 Å²	135	120 Å²	120	53%	0.529	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-88.6	123.3	166.6	-62	-84.1	0	0	0	109.1	I20	Y18-I20 PolarHBondContact O-N 2.98Å
19	Q	48	Very low	56.3	Low	176 Å²	176	118.1 Å²	118.1	82%	0.822	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-70.4	116.5	166.9	-90.8	-174.3	-9.3	0	0	109.3	N21	Q19-N21 PolarHBondContact O-N 3.14Å
20	I	53.3	Low	57.8	Low	109 Å²	109	121.8 Å²	121.8	56%	0.559	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-62.9	120	168	-58.6	174.2	0	0	0	107	Y18 H22 C24 I25	Y18-I20 PolarHBondContact O-N 2.98Å; I20-H22 PolarHBondContact O-N 3.08Å; I20-C24 HydrophobicContact CG2-CB 3.93Å; I20-I25 HydrophobicContact CB-CD1 4.36Å; I20-I25 HydrophobicContact CB-CG1 4.31Å; I20-I25 HydrophobicContact CG2-CD1 4.35Å; I20-I25 HydrophobicContact CG2-CG1 3.77Å
21	N	65	Low	58.8	Low	71 Å²	71	119.4 Å²	119.4	38%	0.38	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-47.9	130.2	179.1	-179.5	-17.3	0	0	0	110.5	Q19 E23 C24 I25	Q19-N21 PolarHBondContact O-N 3.14Å; N21-E23 PolarHBondContact O-N 3.32Å; N21-E23 VanDerWaalsContact O-N 3.11Å; N21-E23 WeakPolarHBondContact OD1-CB 3.36Å; N21-E23 PolarHBondContact OD1-N 3.25Å; N21-C24 HydrophobicContact CB-CB 4.31Å; N21-C24 WeakPolarHBondContact O-CA 3.23Å; N21-C24 VanDerWaalsContact O-CB 3.23Å; N21-C24 WeakPolarHBondContact O-CB 3.39Å; N21-C24 PolarHBondContact O-N 3.28Å; N21-I25 PolarHBondContact O-N 3.2Å; N21-I25 VanDerWaalsContact O-N 3.16Å
22	H	66.7	Low	60	Low	136 Å²	136	117.4 Å²	117.4	63%	0.63	55%	0.55	S	S	*	.	H	α-helix	trans	-52.2	-31.9	176.3	-88.1	-75.5	0	0	0	113.1	I20 R26	I20-H22 PolarHBondContact O-N 3.08Å; H22-R26 WeakPolarHBondContact O-CB 3.46Å; H22-R26 WeakPolarHBondContact O-CG 3.34Å; H22-R26 PolarHBondContact O-N 2.78Å
23	E	67.7	Low	61.5	Low	106 Å²	106	116.4 Å²	116.4	50%	0.495	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-40.2	171.8	-73	-157.1	144.8	0	0	112.7	N21 R26 R27	N21-E23 PolarHBondContact O-N 3.32Å; N21-E23 VanDerWaalsContact O-N 3.11Å; N21-E23 WeakPolarHBondContact OD1-CB 3.36Å; N21-E23 PolarHBondContact OD1-N 3.25Å; E23-R26 PolarHBondContact O-N 2.91Å; E23-R27 WeakPolarHBondContact O-CB 3.41Å; E23-R27 VanDerWaalsContact O-CG 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.43Å; E23-R27 PolarHBondContact O-N 2.77Å; E23-R27 IonicContact OE2-NH2 3.36Å; E23-R27 PolarHBondContact OE2-NH2 3.09Å
24	C	65	Low	63.1	Low	50 Å²	50	113.6 Å²	113.6	34%	0.338	53%	0.53	S	S	.	.	H	α-helix	trans	-63.5	-44.7	177.7	-171.4	0	0	0	0	110.5	I20 N21 R26 R27 Y28	I20-C24 HydrophobicContact CG2-CB 3.93Å; N21-C24 HydrophobicContact CB-CB 4.31Å; N21-C24 WeakPolarHBondContact O-CA 3.23Å; N21-C24 VanDerWaalsContact O-CB 3.23Å; N21-C24 WeakPolarHBondContact O-CB 3.39Å; N21-C24 PolarHBondContact O-N 3.28Å; C24-R26 PolarHBondContact O-N 3.43Å; C24-R27 PolarHBondContact O-N 3.2Å; C24-Y28 WeakPolarHBondContact O-CB 3.47Å; C24-Y28 PolarHBondContact O-N 2.82Å
25	I	68.5	Low	64.6	Low	66 Å²	66	111.4 Å²	111.4	34%	0.338	51%	0.514	S	S	.	.	H	α-helix	trans	-62.1	-44.8	175.7	-61.7	175.2	0	0	0	110.9	I20 N21 Y28 K29	I20-I25 HydrophobicContact CB-CD1 4.36Å; I20-I25 HydrophobicContact CB-CG1 4.31Å; I20-I25 HydrophobicContact CG2-CD1 4.35Å; I20-I25 HydrophobicContact CG2-CG1 3.77Å; N21-I25 PolarHBondContact O-N 3.2Å; N21-I25 VanDerWaalsContact O-N 3.16Å; I25-Y28 PolarHBondContact O-N 3.28Å; I25-K29 HydrophobicContact CG2-CD 4.24Å; I25-K29 HydrophobicContact CG2-CG 4.47Å; I25-K29 WeakPolarHBondContact O-CB 3.29Å; I25-K29 WeakPolarHBondContact O-CG 3.38Å; I25-K29 PolarHBondContact O-N 3.19Å
26	R	72.6	Confident	66.1	Low	190 Å²	190	115.5 Å²	115.5	72%	0.717	52%	0.521	S	S	*	.	H	α-helix	trans	-62.8	-42.5	177.7	-76.2	179.4	-177.6	179.9	2.5	111.8	H22 E23 C24 R30	H22-R26 WeakPolarHBondContact O-CB 3.46Å; H22-R26 WeakPolarHBondContact O-CG 3.34Å; H22-R26 PolarHBondContact O-N 2.78Å; E23-R26 PolarHBondContact O-N 2.91Å; C24-R26 PolarHBondContact O-N 3.43Å; R26-R30 WeakPolarHBondContact O-CB 3.45Å; R26-R30 PolarHBondContact O-N 2.85Å
27	R	68.8	Low	67.5	Low	138 Å²	138	116.5 Å²	116.5	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-44.8	176.9	-74.8	179	-170.5	172.1	10.5	111.5	E23 C24 R30 R31	E23-R27 WeakPolarHBondContact O-CB 3.41Å; E23-R27 VanDerWaalsContact O-CG 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.43Å; E23-R27 PolarHBondContact O-N 2.77Å; E23-R27 IonicContact OE2-NH2 3.36Å; E23-R27 PolarHBondContact OE2-NH2 3.09Å; C24-R27 PolarHBondContact O-N 3.2Å; R27-R30 PolarHBondContact O-N 3.11Å; R27-R31 WeakPolarHBondContact O-CG 3.39Å; R27-R31 PolarHBondContact O-N 3.49Å
28	Y	67.8	Low	69.3	Low	134 Å²	134	110 Å²	110	53%	0.525	49%	0.493	S	S	.	.	H	α-helix	trans	-58.9	-52.3	175.4	-178.4	-100	0	0	0	111	C24 I25 R30 R31 T32 E526	C24-Y28 WeakPolarHBondContact O-CB 3.47Å; C24-Y28 PolarHBondContact O-N 2.82Å; I25-Y28 PolarHBondContact O-N 3.28Å; Y28-R30 VanDerWaalsContact C-N 3.33Å; Y28-R30 PolarHBondContact O-N 3.31Å; Y28-R31 PolarHBondContact O-N 3.34Å; Y28-R31 VanDerWaalsContact O-N 3.12Å; Y28-T32 HydrophobicContact CD1-CG2 4.17Å; Y28-T32 HydrophobicContact CD2-CG2 4.49Å; Y28-T32 HydrophobicContact CE1-CG2 3.75Å; Y28-T32 HydrophobicContact CE2-CG2 4.1Å; Y28-T32 PolarHBondContact O-N 2.99Å; Y28-T32 PolarHBondContact O-OG1 3.43Å; Y28-E526 WeakPolarHBondContact CE2-OE1 3.36Å
29	K	74.2	Confident	70.8	Confident	124 Å²	124	108.9 Å²	108.9	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-56.3	-44.8	176.3	-76	-175.9	177.3	-175.5	0	112.2	I25 R31 T32 H33	I25-K29 HydrophobicContact CG2-CD 4.24Å; I25-K29 HydrophobicContact CG2-CG 4.47Å; I25-K29 WeakPolarHBondContact O-CB 3.29Å; I25-K29 WeakPolarHBondContact O-CG 3.38Å; I25-K29 PolarHBondContact O-N 3.19Å; K29-R31 VanDerWaalsContact C-N 3.35Å; K29-R31 PolarHBondContact O-N 3.16Å; K29-T32 WeakPolarHBondContact CA-OG1 3.38Å; K29-T32 PolarHBondContact O-N 2.86Å; K29-T32 PolarHBondContact O-OG1 3.28Å; K29-H33 WeakPolarHBondContact O-CB 3.38Å; K29-H33 PolarHBondContact O-CD2 2.81Å; K29-H33 PolarHBondContact O-N 3.34Å
30	R	75	Confident	72.4	Confident	205 Å²	205	105.2 Å²	105.2	77%	0.774	48%	0.481	S	S	*	.	H	α-helix	trans	-63.3	-39.8	178.5	-169.7	177.7	-179.4	-177.4	0.7	111.8	R26 R27 Y28 C34	R26-R30 WeakPolarHBondContact O-CB 3.45Å; R26-R30 PolarHBondContact O-N 2.85Å; R27-R30 PolarHBondContact O-N 3.11Å; Y28-R30 VanDerWaalsContact C-N 3.33Å; Y28-R30 PolarHBondContact O-N 3.31Å; R30-C34 WeakPolarHBondContact O-CB 3.45Å; R30-C34 PolarHBondContact O-N 3.47Å; R30-C34 VanDerWaalsContact O-N 3.07Å
31	R	68.4	Low	73.8	Confident	78 Å²	78	103.5 Å²	103.5	29%	0.294	47%	0.472	S	S	.	.	H	α-helix	trans	-69	-45.7	177.3	-74.8	-177.7	-179	165.1	4.9	111.6	R27 Y28 K29 H33 C34 T35 E529	R27-R31 WeakPolarHBondContact O-CG 3.39Å; R27-R31 PolarHBondContact O-N 3.49Å; Y28-R31 PolarHBondContact O-N 3.34Å; Y28-R31 VanDerWaalsContact O-N 3.12Å; K29-R31 VanDerWaalsContact C-N 3.35Å; K29-R31 PolarHBondContact O-N 3.16Å; R31-H33 VanDerWaalsContact C-N 3.34Å; R31-H33 PolarHBondContact O-N 2.85Å; R31-C34 WeakPolarHBondContact O-CA 3.12Å; R31-C34 WeakPolarHBondContact O-CB 3.46Å; R31-C34 PolarHBondContact O-N 3.32Å; R31-T35 PolarHBondContact O-N 3.43Å; R31-T35 PolarHBondContact O-OG1 3.07Å; R31-E529 IonicContact CZ-OE2 2.92Å; R31-E529 IonicContact NH1-OE2 3.31Å; R31-E529 PolarHBondContact NH1-OE2 3.06Å; R31-E529 IonicContact NH2-OE1 2.72Å; R31-E529 PolarHBondContact NH2-OE1 3.04Å; R31-E529 IonicContact NH2-OE2 3Å; R31-E529 PolarHBondContact NH2-OE2 2.9Å
32	T	74.8	Confident	74.5	Confident	39 Å²	39	101.3 Å²	101.3	24%	0.239	46%	0.462	C	S	.	.	H	α-helix	trans	-61.3	-42.1	176	53.7	0	0	0	0	111.7	Y28 K29 C34 T35 Y36	Y28-T32 HydrophobicContact CD1-CG2 4.17Å; Y28-T32 HydrophobicContact CD2-CG2 4.49Å; Y28-T32 HydrophobicContact CE1-CG2 3.75Å; Y28-T32 HydrophobicContact CE2-CG2 4.1Å; Y28-T32 PolarHBondContact O-N 2.99Å; Y28-T32 PolarHBondContact O-OG1 3.43Å; K29-T32 WeakPolarHBondContact CA-OG1 3.38Å; K29-T32 PolarHBondContact O-N 2.86Å; K29-T32 PolarHBondContact O-OG1 3.28Å; T32-C34 VanDerWaalsContact C-N 3.28Å; T32-C34 PolarHBondContact O-N 2.99Å; T32-T35 WeakPolarHBondContact CA-OG1 3.4Å; T32-T35 PolarHBondContact O-N 2.84Å; T32-T35 PolarHBondContact O-OG1 2.9Å; T32-Y36 VanDerWaalsContact O-CD2 3.28Å; T32-Y36 WeakPolarHBondContact O-CD2 3.44Å; T32-Y36 PolarHBondContact O-N 3.21Å
33	H	77.3	Confident	75.2	Confident	132 Å²	132	96.5 Å²	96.5	61%	0.611	45%	0.449	S	S	*	.	H	α-helix	trans	-60.2	-40.1	173.5	-86.5	-68.9	0	0	0	111.9	K29 R31 Y36 F37	K29-H33 WeakPolarHBondContact O-CB 3.38Å; K29-H33 PolarHBondContact O-CD2 2.81Å; K29-H33 PolarHBondContact O-N 3.34Å; R31-H33 VanDerWaalsContact C-N 3.34Å; R31-H33 PolarHBondContact O-N 2.85Å; H33-Y36 PolarHBondContact O-N 3.33Å; H33-F37 VanDerWaalsContact O-CB 3.24Å; H33-F37 WeakPolarHBondContact O-CB 3.36Å; H33-F37 PolarHBondContact O-N 2.84Å
34	C	77.2	Confident	75.9	Confident	60 Å²	60	95.7 Å²	95.7	41%	0.405	45%	0.447	S	S	.	.	H	α-helix	trans	-65.5	-42.9	178.2	-160.1	0	0	0	0	112	R30 R31 T32 F37 T38 M522	R30-C34 WeakPolarHBondContact O-CB 3.45Å; R30-C34 PolarHBondContact O-N 3.47Å; R30-C34 VanDerWaalsContact O-N 3.07Å; R31-C34 WeakPolarHBondContact O-CA 3.12Å; R31-C34 WeakPolarHBondContact O-CB 3.46Å; R31-C34 PolarHBondContact O-N 3.32Å; T32-C34 VanDerWaalsContact C-N 3.28Å; T32-C34 PolarHBondContact O-N 2.99Å; C34-F37 PolarHBondContact O-N 3.33Å; C34-T38 WeakPolarHBondContact O-CG2 3.5Å; C34-T38 PolarHBondContact O-N 3.48Å; C34-T38 PolarHBondContact O-OG1 2.94Å; C34-M522 HydrophobicContact CB-CE 4.15Å
35	T	76.7	Confident	76.7	Confident	38 Å²	38	96.2 Å²	96.2	23%	0.233	45%	0.449	C	S	.	.	H	α-helix	trans	-67	-39.2	175.1	43.7	0	0	0	0	113.2	R31 T32 F37 T38 L39 M522	R31-T35 PolarHBondContact O-N 3.43Å; R31-T35 PolarHBondContact O-OG1 3.07Å; T32-T35 WeakPolarHBondContact CA-OG1 3.4Å; T32-T35 PolarHBondContact O-N 2.84Å; T32-T35 PolarHBondContact O-OG1 2.9Å; T35-F37 VanDerWaalsContact C-N 3.32Å; T35-T38 WeakPolarHBondContact CA-OG1 3.33Å; T35-T38 PolarHBondContact O-N 2.91Å; T35-T38 PolarHBondContact O-OG1 3.1Å; T35-L39 WeakPolarHBondContact O-CG 3.28Å; T35-L39 PolarHBondContact O-N 2.87Å; T35-L39 VanDerWaalsContact O-N 3.07Å; T35-M522 HydrophobicContact CG2-CE 3.92Å; T35-M522 HydrophobicContact CG2-SD 4.41Å
36	Y	78.3	Confident	77.3	Confident	160 Å²	160	99 Å²	99	63%	0.627	46%	0.462	S	S	*	.	H	α-helix	trans	-63.5	-42.2	173.8	-91.9	-74.8	0	0	0	111.1	T32 H33 L39 I40	T32-Y36 VanDerWaalsContact O-CD2 3.28Å; T32-Y36 WeakPolarHBondContact O-CD2 3.44Å; T32-Y36 PolarHBondContact O-N 3.21Å; H33-Y36 PolarHBondContact O-N 3.33Å; Y36-L39 PolarHBondContact O-N 3.12Å; Y36-I40 VanDerWaalsContact O-CG1 3.28Å; Y36-I40 WeakPolarHBondContact O-CG1 3.24Å; Y36-I40 PolarHBondContact O-N 2.87Å
37	F	80.5	Confident	77.6	Confident	130 Å²	130	97 Å²	97	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-63.6	-42	178.3	-170	-105	0	0	0	112.3	H33 C34 T35 I40 I41	H33-F37 VanDerWaalsContact O-CB 3.24Å; H33-F37 WeakPolarHBondContact O-CB 3.36Å; H33-F37 PolarHBondContact O-N 2.84Å; C34-F37 PolarHBondContact O-N 3.33Å; T35-F37 VanDerWaalsContact C-N 3.32Å; F37-I40 PolarHBondContact O-N 3.42Å; F37-I41 HydrophobicContact CD1-CD1 3.61Å; F37-I41 HydrophobicContact CD1-CG1 4.46Å; F37-I41 HydrophobicContact CE1-CD1 3.19Å; F37-I41 HydrophobicContact CE1-CG1 4.25Å; F37-I41 HydrophobicContact CE2-CD1 4.46Å; F37-I41 HydrophobicContact CG-CD1 4.41Å; F37-I41 HydrophobicContact CZ-CD1 3.68Å; F37-I41 HydrophobicContact CZ-CG1 4.44Å; F37-I41 WeakPolarHBondContact O-CG1 3.36Å; F37-I41 PolarHBondContact O-N 2.95Å
38	T	79.9	Confident	78.2	Confident	32 Å²	32	96.2 Å²	96.2	20%	0.196	47%	0.468	C	S	.	.	H	α-helix	trans	-66.1	-38.7	176.1	52.1	0	0	0	0	112.6	C34 T35 I41 S42	C34-T38 WeakPolarHBondContact O-CG2 3.5Å; C34-T38 PolarHBondContact O-N 3.48Å; C34-T38 PolarHBondContact O-OG1 2.94Å; T35-T38 WeakPolarHBondContact CA-OG1 3.33Å; T35-T38 PolarHBondContact O-N 2.91Å; T35-T38 PolarHBondContact O-OG1 3.1Å; T38-I41 PolarHBondContact O-N 3.47Å; T38-S42 WeakPolarHBondContact O-CB 3.3Å; T38-S42 PolarHBondContact O-N 2.94Å
39	L	80.7	Confident	78.5	Confident	113 Å²	113	92.3 Å²	92.3	59%	0.592	45%	0.454	S	S	*	.	H	α-helix	trans	-64.4	-42.4	174.8	-73.2	170.9	0	0	0	112.2	T35 Y36 S42 G43	T35-L39 WeakPolarHBondContact O-CG 3.28Å; T35-L39 PolarHBondContact O-N 2.87Å; T35-L39 VanDerWaalsContact O-N 3.07Å; Y36-L39 PolarHBondContact O-N 3.12Å; L39-S42 PolarHBondContact O-N 2.95Å; L39-G43 PolarHBondContact O-N 3.29Å
40	I	82.1	Confident	78.6	Confident	99 Å²	99	88.2 Å²	88.2	51%	0.508	45%	0.447	S	S	.	.	H	α-helix	trans	-63	-47	176.6	-69.6	166.5	0	0	0	110.5	Y36 F37 S42 G43 I44	Y36-I40 VanDerWaalsContact O-CG1 3.28Å; Y36-I40 WeakPolarHBondContact O-CG1 3.24Å; Y36-I40 PolarHBondContact O-N 2.87Å; F37-I40 PolarHBondContact O-N 3.42Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.48Å; I40-G43 PolarHBondContact O-N 2.93Å; I40-I44 HydrophobicContact CG2-CD1 3.84Å; I40-I44 HydrophobicContact CG2-CG1 4.48Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; I40-I44 PolarHBondContact O-N 2.96Å
41	I	82	Confident	78.7	Confident	72 Å²	72	81 Å²	81	37%	0.369	43%	0.431	S	S	.	.	H	α-helix	trans	-59.7	-45.6	176.2	-72.4	176	0	0	0	110.7	F37 T38 G43 I44 V45	F37-I41 HydrophobicContact CD1-CD1 3.61Å; F37-I41 HydrophobicContact CD1-CG1 4.46Å; F37-I41 HydrophobicContact CE1-CD1 3.19Å; F37-I41 HydrophobicContact CE1-CG1 4.25Å; F37-I41 HydrophobicContact CE2-CD1 4.46Å; F37-I41 HydrophobicContact CG-CD1 4.41Å; F37-I41 HydrophobicContact CZ-CD1 3.68Å; F37-I41 HydrophobicContact CZ-CG1 4.44Å; F37-I41 WeakPolarHBondContact O-CG1 3.36Å; F37-I41 PolarHBondContact O-N 2.95Å; T38-I41 PolarHBondContact O-N 3.47Å; I41-G43 VanDerWaalsContact C-N 3.3Å; I41-G43 PolarHBondContact O-N 2.83Å; I41-I44 PolarHBondContact O-N 3.07Å; I41-V45 HydrophobicContact CG2-CG2 4.21Å; I41-V45 WeakPolarHBondContact O-CB 3.42Å; I41-V45 VanDerWaalsContact O-CG2 3.28Å; I41-V45 WeakPolarHBondContact O-CG2 3.39Å; I41-V45 PolarHBondContact O-N 3.35Å
42	S	79.8	Confident	79	Confident	25 Å²	25	81.4 Å²	81.4	18%	0.175	44%	0.438	C	S	.	.	H	α-helix	trans	-58.3	-43.2	176.8	-173.7	0	0	0	0	111.8	T38 L39 I40 V45 M46 L515	T38-S42 WeakPolarHBondContact O-CB 3.3Å; T38-S42 PolarHBondContact O-N 2.94Å; L39-S42 PolarHBondContact O-N 2.95Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.48Å; S42-V45 PolarHBondContact O-N 3.18Å; S42-M46 WeakPolarHBondContact O-CB 3.43Å; S42-M46 WeakPolarHBondContact O-CG 3.42Å; S42-M46 PolarHBondContact O-N 3.47Å; S42-L515 WeakPolarHBondContact OG-CD1 3.43Å
43	G	81.2	Confident	78.8	Confident	35 Å²	35	82.5 Å²	82.5	36%	0.361	44%	0.442	S	S	.	.	H	α-helix	trans	-63.3	-43.5	176.5	0	0	0	0	0	112.9	L39 I40 I41 M46 M47	L39-G43 PolarHBondContact O-N 3.29Å; I40-G43 PolarHBondContact O-N 2.93Å; I41-G43 VanDerWaalsContact C-N 3.3Å; I41-G43 PolarHBondContact O-N 2.83Å; G43-M46 PolarHBondContact O-N 3.23Å; G43-M47 WeakPolarHBondContact O-CB 3.31Å; G43-M47 PolarHBondContact O-N 3.34Å
44	I	83.1	Confident	78.5	Confident	89 Å²	89	81.7 Å²	81.7	46%	0.456	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176.2	-67.8	167.6	0	0	0	110.6	I40 I41 M46 M47 L48	I40-I44 HydrophobicContact CG2-CD1 3.84Å; I40-I44 HydrophobicContact CG2-CG1 4.48Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; I40-I44 PolarHBondContact O-N 2.96Å; I41-I44 PolarHBondContact O-N 3.07Å; I44-M46 VanDerWaalsContact C-N 3.34Å; I44-M46 PolarHBondContact O-N 3.4Å; I44-M47 PolarHBondContact O-N 3.45Å; I44-M47 VanDerWaalsContact O-N 3.17Å; I44-L48 HydrophobicContact CG2-CD1 3.9Å; I44-L48 HydrophobicContact CG2-CG 4.25Å; I44-L48 WeakPolarHBondContact O-CB 3.35Å; I44-L48 WeakPolarHBondContact O-CG 3.35Å; I44-L48 PolarHBondContact O-N 3.32Å
45	V	82.3	Confident	78.1	Confident	61 Å²	61	83.2 Å²	83.2	37%	0.37	45%	0.449	S	S	.	.	H	α-helix	trans	-59	-46.7	177.1	170.2	0	0	0	0	110.2	I41 S42 M47 F49 F511	I41-V45 HydrophobicContact CG2-CG2 4.21Å; I41-V45 WeakPolarHBondContact O-CB 3.42Å; I41-V45 VanDerWaalsContact O-CG2 3.28Å; I41-V45 WeakPolarHBondContact O-CG2 3.39Å; I41-V45 PolarHBondContact O-N 3.35Å; S42-V45 PolarHBondContact O-N 3.18Å; V45-M47 VanDerWaalsContact C-N 3.33Å; V45-M47 PolarHBondContact O-N 3.22Å; V45-F49 WeakPolarHBondContact O-CB 3.28Å; V45-F49 PolarHBondContact O-N 3.44Å; V45-F511 HydrophobicContact CG1-CE1 4.24Å
46	M	80.3	Confident	77.4	Confident	126 Å²	126	84 Å²	84	62%	0.621	45%	0.451	S	S	*	.	H	α-helix	trans	-61.5	-38.3	175.7	-80.6	-176.5	40.2	0	0	113.1	S42 G43 I44 F49 G50	S42-M46 WeakPolarHBondContact O-CB 3.43Å; S42-M46 WeakPolarHBondContact O-CG 3.42Å; S42-M46 PolarHBondContact O-N 3.47Å; G43-M46 PolarHBondContact O-N 3.23Å; I44-M46 VanDerWaalsContact C-N 3.34Å; I44-M46 PolarHBondContact O-N 3.4Å; M46-F49 WeakPolarHBondContact O-CB 3.39Å; M46-F49 PolarHBondContact O-N 3.07Å; M46-G50 PolarHBondContact O-N 2.92Å
47	M	80.2	Confident	76.5	Confident	146 Å²	146	80 Å²	80	72%	0.719	44%	0.44	S	S	*	.	H	α-helix	trans	-70.9	-45.6	-179.6	-162	-175.5	-63.6	0	0	112	G43 I44 V45 F49 G50 A51	G43-M47 WeakPolarHBondContact O-CB 3.31Å; G43-M47 PolarHBondContact O-N 3.34Å; I44-M47 PolarHBondContact O-N 3.45Å; I44-M47 VanDerWaalsContact O-N 3.17Å; V45-M47 VanDerWaalsContact C-N 3.33Å; V45-M47 PolarHBondContact O-N 3.22Å; M47-F49 PolarHBondContact O-N 2.92Å; M47-G50 PolarHBondContact O-N 2.96Å; M47-A51 PolarHBondContact O-N 3.46Å
48	L	81.4	Confident	75.7	Confident	123 Å²	123	77.1 Å²	77.1	64%	0.644	43%	0.43	S	S	*	.	H	α-helix	trans	-58.5	-35.8	171.9	-70.3	174.3	0	0	0	111.1	I44 L52	I44-L48 HydrophobicContact CG2-CD1 3.9Å; I44-L48 HydrophobicContact CG2-CG 4.25Å; I44-L48 WeakPolarHBondContact O-CB 3.35Å; I44-L48 WeakPolarHBondContact O-CG 3.35Å; I44-L48 PolarHBondContact O-N 3.32Å; L48-L52 PolarHBondContact O-N 2.94Å
49	F	73.2	Confident	74.4	Confident	51 Å²	51	79.3 Å²	79.3	22%	0.224	45%	0.445	C	S	.	.	H	α-helix	trans	-71.7	-44.6	178	-157.6	-96.2	0	0	0	113	V45 M46 M47 A51 L52 I53 I504 C508	V45-F49 WeakPolarHBondContact O-CB 3.28Å; V45-F49 PolarHBondContact O-N 3.44Å; M46-F49 WeakPolarHBondContact O-CB 3.39Å; M46-F49 PolarHBondContact O-N 3.07Å; M47-F49 PolarHBondContact O-N 2.92Å; F49-A51 VanDerWaalsContact C-N 3.26Å; F49-A51 PolarHBondContact O-N 3.38Å; F49-L52 HydrophobicContact CD2-CD2 4.42Å; F49-L52 HydrophobicContact CE2-CD2 4.08Å; F49-L52 WeakPolarHBondContact O-CB 3.43Å; F49-L52 PolarHBondContact O-N 3.04Å; F49-L52 VanDerWaalsContact O-N 3.1Å; F49-I53 HydrophobicContact CD1-CD1 3.83Å; F49-I53 HydrophobicContact CD1-CG1 4.08Å; F49-I53 HydrophobicContact CE1-CD1 3.65Å; F49-I53 HydrophobicContact CE1-CG1 3.77Å; F49-I53 WeakPolarHBondContact O-CG1 3.35Å; F49-I53 PolarHBondContact O-N 3.4Å; F49-I504 HydrophobicContact CE1-CG2 3.17Å; F49-I504 HydrophobicContact CE2-CD1 4.37Å; F49-I504 HydrophobicContact CE2-CG2 4.4Å; F49-I504 HydrophobicContact CZ-CB 4.1Å; F49-I504 HydrophobicContact CZ-CD1 3.89Å; F49-I504 HydrophobicContact CZ-CG1 4.1Å; F49-I504 HydrophobicContact CZ-CG2 3.1Å; F49-C508 VanDerWaalsContact CE1-SG 3.52Å
50	G	76.6	Confident	73	Confident	39 Å²	39	78 Å²	78	40%	0.402	44%	0.436	S	S	.	.	H	α-helix	trans	-58.3	-39.4	172.8	0	0	0	0	0	112.1	M46 M47 I53 L54	M46-G50 PolarHBondContact O-N 2.92Å; M47-G50 PolarHBondContact O-N 2.96Å; G50-I53 PolarHBondContact O-N 2.98Å; G50-L54 WeakPolarHBondContact O-CB 3.4Å; G50-L54 PolarHBondContact O-N 3.36Å
51	A	76.4	Confident	71.4	Confident	52 Å²	52	80.1 Å²	80.1	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-64.6	-41.3	172.9	0	0	0	0	0	112.5	M47 F49 L54 V55	M47-A51 PolarHBondContact O-N 3.46Å; F49-A51 VanDerWaalsContact C-N 3.26Å; F49-A51 PolarHBondContact O-N 3.38Å; A51-L54 WeakPolarHBondContact O-CB 3.48Å; A51-L54 PolarHBondContact O-N 3.07Å; A51-V55 WeakPolarHBondContact O-CG2 3.48Å; A51-V55 PolarHBondContact O-N 3.24Å
52	L	75.1	Confident	69.8	Low	87 Å²	87	82.5 Å²	82.5	46%	0.455	46%	0.456	S	S	.	.	H	α-helix	trans	-62	-45.3	175	-175.9	71.2	0	0	0	111.8	L48 F49 L54 V55 I56	L48-L52 PolarHBondContact O-N 2.94Å; F49-L52 HydrophobicContact CD2-CD2 4.42Å; F49-L52 HydrophobicContact CE2-CD2 4.08Å; F49-L52 WeakPolarHBondContact O-CB 3.43Å; F49-L52 PolarHBondContact O-N 3.04Å; F49-L52 VanDerWaalsContact O-N 3.1Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.9Å; L52-V55 PolarHBondContact O-N 3.28Å; L52-I56 HydrophobicContact CG-CD1 4.12Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.37Å; L52-I56 PolarHBondContact O-N 3.46Å; L52-I56 VanDerWaalsContact O-N 3.1Å
53	I	71.5	Confident	67.8	Low	63 Å²	63	85 Å²	85	32%	0.323	47%	0.467	S	S	.	.	H	α-helix	trans	-58.8	-45.7	173.7	-64.9	175.9	0	0	0	109.9	F49 G50 V55 I56 L57	F49-I53 HydrophobicContact CD1-CD1 3.83Å; F49-I53 HydrophobicContact CD1-CG1 4.08Å; F49-I53 HydrophobicContact CE1-CD1 3.65Å; F49-I53 HydrophobicContact CE1-CG1 3.77Å; F49-I53 WeakPolarHBondContact O-CG1 3.35Å; F49-I53 PolarHBondContact O-N 3.4Å; G50-I53 PolarHBondContact O-N 2.98Å; I53-V55 VanDerWaalsContact C-N 3.34Å; I53-V55 PolarHBondContact O-N 3.34Å; I53-I56 PolarHBondContact O-N 2.91Å; I53-I56 VanDerWaalsContact O-N 3.14Å; I53-L57 HydrophobicContact CG2-CD1 3.57Å; I53-L57 HydrophobicContact CG2-CG 3.93Å; I53-L57 WeakPolarHBondContact O-CB 3.28Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 2.96Å
54	L	69.7	Low	66	Low	115 Å²	115	88.6 Å²	88.6	60%	0.602	48%	0.478	S	S	*	.	H	α-helix	trans	-60	-43.4	179.8	-159.2	86.5	0	0	0	111.6	G50 A51 L52 I56 L57 I58	G50-L54 WeakPolarHBondContact O-CB 3.4Å; G50-L54 PolarHBondContact O-N 3.36Å; A51-L54 WeakPolarHBondContact O-CB 3.48Å; A51-L54 PolarHBondContact O-N 3.07Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.9Å; L54-I56 VanDerWaalsContact C-N 3.29Å; L54-I56 PolarHBondContact O-N 2.98Å; L54-L57 PolarHBondContact O-N 3.34Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.27Å; L54-I58 PolarHBondContact O-N 3.18Å
55	V	69.2	Low	63.9	Low	92 Å²	92	95 Å²	95	56%	0.558	50%	0.498	S	S	*	.	H	α-helix	trans	-61.9	-35.7	176.3	170.4	0	0	0	0	112.1	A51 L52 I53	A51-V55 WeakPolarHBondContact O-CG2 3.48Å; A51-V55 PolarHBondContact O-N 3.24Å; L52-V55 PolarHBondContact O-N 3.28Å; I53-V55 VanDerWaalsContact C-N 3.34Å; I53-V55 PolarHBondContact O-N 3.34Å
56	I	62.7	Low	61.7	Low	54 Å²	54	102 Å²	102	28%	0.277	52%	0.518	S	S	.	.	H	α-helix	trans	-75.5	-37.1	177.4	-65.1	166.4	0	0	0	111.5	L52 I53 L54 F500	L52-I56 HydrophobicContact CG-CD1 4.12Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.37Å; L52-I56 PolarHBondContact O-N 3.46Å; L52-I56 VanDerWaalsContact O-N 3.1Å; I53-I56 PolarHBondContact O-N 2.91Å; I53-I56 VanDerWaalsContact O-N 3.14Å; L54-I56 VanDerWaalsContact C-N 3.29Å; L54-I56 PolarHBondContact O-N 2.98Å; I56-F500 HydrophobicContact CD1-CE1 3.87Å
57	L	59.6	Low	59.6	Low	76 Å²	76	104.1 Å²	104.1	40%	0.398	52%	0.519	S	S	.	.	H	α-helix	trans	-76.9	-19.1	179.5	-69.2	178.8	0	0	0	113.7	I53 L54 P59 W493	I53-L57 HydrophobicContact CG2-CD1 3.57Å; I53-L57 HydrophobicContact CG2-CG 3.93Å; I53-L57 WeakPolarHBondContact O-CB 3.28Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 2.96Å; L54-L57 PolarHBondContact O-N 3.34Å; L57-P59 VanDerWaalsContact O-CD 3.32Å; L57-P59 WeakPolarHBondContact O-CD 3.48Å; L57-W493 HydrophobicContact CD2-CH2 3.61Å; L57-W493 HydrophobicContact CD2-CZ2 4.03Å
58	I	63.3	Low	57.3	Low	69 Å²	69	105.5 Å²	105.5	35%	0.354	53%	0.529	S	S	.	.	S	Bend	trans	-60.3	120.9	169.3	-71.1	164.4	0	0	0	107.3	L54 Q60	L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.27Å; L54-I58 PolarHBondContact O-N 3.18Å; I58-Q60 PolarHBondContact O-N 3.39Å; I58-Q60 VanDerWaalsContact O-N 3.1Å
59	P	51.4	Low	55.2	Low	79 Å²	79	105.2 Å²	105.2	51%	0.513	53%	0.527	S	S	.	.			trans	-52	121.9	179.2	-25.2	33.2	0	0	0	110.1	L57 E61 I62	L57-P59 VanDerWaalsContact O-CD 3.32Å; L57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-E61 PolarHBondContact O-N 2.89Å; P59-I62 PolarHBondContact O-N 2.72Å; P59-I62 VanDerWaalsContact O-N 3.12Å
60	Q	51.6	Low	53.5	Low	86 Å²	86	112.9 Å²	112.9	40%	0.402	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.6	-9.7	-176	-72.9	-171.8	-15.2	0	0	113.5	I58 I62 N63 L64	I58-Q60 PolarHBondContact O-N 3.39Å; I58-Q60 VanDerWaalsContact O-N 3.1Å; Q60-I62 PolarHBondContact O-N 3.48Å; Q60-N63 PolarHBondContact O-N 3.23Å; Q60-L64 HydrophobicContact CB-CD1 3.95Å; Q60-L64 HydrophobicContact CB-CG 4.25Å; Q60-L64 WeakPolarHBondContact O-CB 3.23Å; Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 3.44Å
61	E	48.6	Very low	51.6	Low	142 Å²	142	112.5 Å²	112.5	66%	0.664	56%	0.556	S	S	*	*	H	α-helix	trans	-55.8	-31.9	170.5	-67.2	-169.9	177.6	0	0	112.9	P59	P59-E61 PolarHBondContact O-N 2.89Å
62	I	48.4	Very low	49.8	Very low	123 Å²	123	115 Å²	115	63%	0.631	57%	0.568	S	S	*	*	H	α-helix	trans	-75.1	-25.9	177.9	-62.2	175	0	0	0	112	P59 Q60	P59-I62 PolarHBondContact O-N 2.72Å; P59-I62 VanDerWaalsContact O-N 3.12Å; Q60-I62 PolarHBondContact O-N 3.48Å
63	N	38.4	Very low	48.1	Very low	77 Å²	77	115.7 Å²	115.7	41%	0.412	57%	0.571	S	S	.	*	H	α-helix	trans	-102.7	-28.7	-174.8	-89.8	-38.7	0	0	0	114.5	Q60 Y65 R66 W67	Q60-N63 PolarHBondContact O-N 3.23Å; N63-Y65 VanDerWaalsContact C-N 3.25Å; N63-Y65 PolarHBondContact O-N 3.38Å; N63-R66 PolarHBondContact O-N 3.22Å; N63-R66 VanDerWaalsContact O-N 3.12Å; N63-W67 PolarHBondContact O-N 2.91Å
64	L	42.3	Very low	46.8	Very low	111 Å²	111	114.7 Å²	114.7	58%	0.581	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-28.2	-179.5	-75.9	165	0	0	0	112.7	Q60 R66	Q60-L64 HydrophobicContact CB-CD1 3.95Å; Q60-L64 HydrophobicContact CB-CG 4.25Å; Q60-L64 WeakPolarHBondContact O-CB 3.23Å; Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 3.44Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 2.95Å
65	Y	39	Very low	45.3	Very low	222 Å²	222	119.2 Å²	119.2	87%	0.871	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-16.6	176.5	-156.4	-96.9	0	0	0	113.6	N63	N63-Y65 VanDerWaalsContact C-N 3.25Å; N63-Y65 PolarHBondContact O-N 3.38Å
66	R	37.3	Very low	43.8	Very low	209 Å²	209	122.9 Å²	122.9	79%	0.789	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-22.4	-174.2	-83.7	-173	170.6	-175	-1.5	115.1	N63 L64	N63-R66 PolarHBondContact O-N 3.22Å; N63-R66 VanDerWaalsContact O-N 3.12Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 2.95Å
67	W	35.2	Very low	43	Very low	170 Å²	170	121.8 Å²	121.8	64%	0.644	58%	0.581	S	S	*	*			trans	-128.6	100	-174.9	-65.5	89.8	0	0	0	110.1	N63 I69	N63-W67 PolarHBondContact O-N 2.91Å; W67-I69 HydrophobicContact CB-CD1 3.96Å; W67-I69 HydrophobicContact CB-CG1 4.05Å; W67-I69 HydrophobicContact CD2-CD1 4.32Å; W67-I69 HydrophobicContact CE3-CD1 3.85Å; W67-I69 HydrophobicContact CE3-CG1 4.38Å; W67-I69 HydrophobicContact CG-CD1 4.41Å; W67-I69 PolarHBondContact O-N 2.97Å
68	N	33.5	Very low	42.6	Very low	176 Å²	176	124.1 Å²	124.1	94%	0.941	59%	0.594	S	S	*	*			trans	-67.5	45.7	169	-112.7	-10.9	0	0	0	111.6	K70	N68-K70 PolarHBondContact O-N 3.25Å
69	I	37.1	Very low	42.3	Very low	116 Å²	116	124.9 Å²	124.9	60%	0.595	60%	0.596	S	S	*	*			trans	-86.3	108.2	175.2	-61.2	172	0	0	0	106.1	W67 G71	W67-I69 HydrophobicContact CB-CD1 3.96Å; W67-I69 HydrophobicContact CB-CG1 4.05Å; W67-I69 HydrophobicContact CD2-CD1 4.32Å; W67-I69 HydrophobicContact CE3-CD1 3.85Å; W67-I69 HydrophobicContact CE3-CG1 4.38Å; W67-I69 HydrophobicContact CG-CD1 4.41Å; W67-I69 PolarHBondContact O-N 2.97Å; I69-G71 VanDerWaalsContact C-N 3.26Å; I69-G71 PolarHBondContact O-N 2.92Å
70	K	37.6	Very low	43.4	Very low	213 Å²	213	122.3 Å²	122.3	93%	0.926	58%	0.584	S	S	*	*			trans	-54.6	93.2	165.6	-68.2	-175.7	176.4	-174.4	0	107.9	N68	N68-K70 PolarHBondContact O-N 3.25Å
71	G	35.8	Very low	45.3	Very low	30 Å²	30	121.6 Å²	121.6	31%	0.309	58%	0.58	S	S	.	*			trans	-68	160.7	-167.2	0	0	0	0	0	112.7	I69 L73	I69-G71 VanDerWaalsContact C-N 3.26Å; I69-G71 PolarHBondContact O-N 2.92Å; G71-L73 PolarHBondContact O-N 2.93Å
72	P	38.5	Very low	47.6	Very low	104 Å²	104	115 Å²	115	68%	0.675	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-63.6	2.6	174.2	27.3	-33.3	0	0	0	114	S74 R75	P72-S74 PolarHBondContact O-N 3.39Å; P72-R75 PolarHBondContact O-N 2.94Å
73	L	40.5	Very low	50	Low	102 Å²	102	109.4 Å²	109.4	53%	0.534	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-64.5	-16.8	176	-77.5	162.5	0	0	0	113.9	G71 R75 F76	G71-L73 PolarHBondContact O-N 2.93Å; L73-R75 PolarHBondContact O-N 3.39Å; L73-R75 VanDerWaalsContact O-N 3.17Å; L73-F76 HydrophobicContact CD2-CD2 4.21Å; L73-F76 PolarHBondContact O-N 3.21Å
74	S	43.7	Very low	52.9	Low	43 Å²	43	105.7 Å²	105.7	30%	0.301	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.1	172.9	64	0	0	0	0	112.6	P72 F76 F77 H79	P72-S74 PolarHBondContact O-N 3.39Å; S74-F76 VanDerWaalsContact C-N 3.26Å; S74-F76 PolarHBondContact O-N 3.44Å; S74-F77 PolarHBondContact O-N 2.9Å; S74-H79 PolarHBondContact O-CE1 3.32Å; S74-H79 PolarHBondContact O-NE2 2.91Å
75	R	36.8	Very low	55.6	Low	209 Å²	209	100.4 Å²	100.4	79%	0.789	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-70.1	-16.5	176.3	-75.2	-173.7	-170.5	157.9	4.2	114.7	P72 L73	P72-R75 PolarHBondContact O-N 2.94Å; L73-R75 PolarHBondContact O-N 3.39Å; L73-R75 VanDerWaalsContact O-N 3.17Å
76	F	39	Very low	58.4	Low	170 Å²	170	90 Å²	90	75%	0.746	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-96.2	-3.5	-179.2	-68.3	-80.4	0	0	0	112.9	L73 S74	L73-F76 HydrophobicContact CD2-CD2 4.21Å; L73-F76 PolarHBondContact O-N 3.21Å; S74-F76 VanDerWaalsContact C-N 3.26Å; S74-F76 PolarHBondContact O-N 3.44Å
77	F	45.4	Very low	61.3	Low	31 Å²	31	80.1 Å²	80.1	14%	0.136	40%	0.395	C	S	.	.	S	Bend	trans	-66.5	137.1	168.6	-110.8	-99.9	0	0	0	109.6	S74 H79 L190 N193 L455 I457	S74-F77 PolarHBondContact O-N 2.9Å; F77-H79 VanDerWaalsContact C-N 3.25Å; F77-H79 PolarHBondContact O-CD2 3.45Å; F77-H79 PolarHBondContact O-N 2.87Å; F77-L190 HydrophobicContact CE1-CD1 4.43Å; F77-N193 VanDerWaalsContact CD2-O 3.25Å; F77-N193 WeakPolarHBondContact CD2-O 3.21Å; F77-N193 HydrophobicContact CE2-CB 3.99Å; F77-N193 WeakPolarHBondContact CE2-O 3.2Å; F77-N193 HydrophobicContact CZ-CB 3.93Å; F77-L455 VanDerWaalsContact CE1-O 3.29Å; F77-L455 WeakPolarHBondContact CE1-O 3.19Å; F77-I457 HydrophobicContact CE1-CG2 4.09Å; F77-I457 HydrophobicContact CZ-CG2 3.69Å
78	N	50.4	Low	64.4	Low	124 Å²	124	72.2 Å²	72.2	66%	0.663	37%	0.366	S	S	*	.			trans	-67.8	87.9	176.2	-166.8	-5	0	0	0	109.1	G80	N78-G80 PolarHBondContact O-N 3.46Å
79	H	56.8	Low	67.5	Low	85 Å²	85	64 Å²	64	39%	0.394	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	8.7	-177.3	-61.7	-64.8	0	0	0	114	S74 F77 H250	S74-H79 PolarHBondContact O-CE1 3.32Å; S74-H79 PolarHBondContact O-NE2 2.91Å; F77-H79 VanDerWaalsContact C-N 3.25Å; F77-H79 PolarHBondContact O-CD2 3.45Å; F77-H79 PolarHBondContact O-N 2.87Å; H79-H250 PolarHBondContact O-CD2 3.47Å; H79-H250 PolarHBondContact O-NE2 2.72Å
80	G	75.8	Confident	70.4	Confident	26 Å²	26	58.4 Å²	58.4	27%	0.268	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-12.9	-174.7	0	0	0	0	0	115.4	N78 K301	N78-G80 PolarHBondContact O-N 3.46Å; G80-K301 WeakPolarHBondContact O-CB 3.47Å; G80-K301 WeakPolarHBondContact O-CG 3.45Å
81	K	91	Very high	73.3	Confident	71 Å²	71	48.3 Å²	48.3	31%	0.309	25%	0.249	S	C	.	.			trans	-131	148.6	-169.8	-64.5	-171.1	176.7	-171.5	0	114	H250 K301	K81-H250 PolarHBondContact O-NE2 3.15Å; K81-K301 CarbonylContact C-O 3.57Å; K81-K301 WeakPolarHBondContact CA-O 3.37Å
82	T	97.3	Very high	76.3	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.3	174.7	-56.6	0	0	0	0	109.9	L244 H250 L251 N252 I254 K301 V302 D303	T82-L244 HydrophobicContact CG2-CD2 3.61Å; T82-H250 PolarHBondContact OG1-CE1 3.02Å; T82-H250 PolarHBondContact OG1-NE2 2.69Å; T82-L251 WeakPolarHBondContact CB-O 3.46Å; T82-L251 VanDerWaalsContact CG2-O 3.29Å; T82-L251 WeakPolarHBondContact CG2-O 3.46Å; T82-L251 PolarHBondContact OG1-O 3.3Å; T82-N252 CarbonylContact C-O 3.51Å; T82-N252 VanDerWaalsContact CA-O 3.29Å; T82-N252 WeakPolarHBondContact CA-O 3.5Å; T82-I254 HydrophobicContact CG2-CD1 4.14Å; T82-I254 HydrophobicContact CG2-CG1 4.13Å; T82-K301 PolarHBondContact N-O 3.48Å; T82-V302 WeakPolarHBondContact O-CA 3.29Å; T82-D303 PolarHBondContact O-N 2.76Å
83	V	98.6	Very high	79.1	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.8	164.9	-179.4	0	0	0	0	107.8	N252 L253 I254 D303 I305 M451 L454 L455	V83-N252 PolarHBondContact N-O 3.18Å; V83-L253 HydrophobicContact CB-CD1 4.27Å; V83-L253 HydrophobicContact CG1-CD1 4.28Å; V83-L253 CarbonylContact O-C 3.53Å; V83-L253 VanDerWaalsContact O-CA 3.31Å; V83-L253 WeakPolarHBondContact O-CA 3.5Å; V83-I254 PolarHBondContact O-N 2.92Å; V83-D303 CarbonylContact C-O 3.52Å; V83-D303 WeakPolarHBondContact CA-O 3.36Å; V83-I305 HydrophobicContact CG1-CD1 4.36Å; V83-M451 HydrophobicContact CG1-CG 3.97Å; V83-M451 HydrophobicContact CG1-SD 4.37Å; V83-L454 HydrophobicContact CG2-CB 3.63Å; V83-L454 HydrophobicContact CG2-CD1 4.18Å; V83-L455 HydrophobicContact CB-CD2 4.27Å; V83-L455 HydrophobicContact CB-CG 4.49Å; V83-L455 HydrophobicContact CG2-CD2 3.91Å; V83-L455 HydrophobicContact CG2-CG 3.98Å
84	L	98.7	Very high	81.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	107.7	178.2	172.4	58.3	0	0	0	108.4	I86 I240 I254 L289 V302 D303 I304 I305	L84-I86 HydrophobicContact CD1-CD1 4.43Å; L84-I86 HydrophobicContact CD1-CG1 3.95Å; L84-I86 HydrophobicContact CD2-CD1 3.98Å; L84-I86 HydrophobicContact CD2-CG1 4.33Å; L84-I86 HydrophobicContact CG-CD1 4.03Å; L84-I86 HydrophobicContact CG-CG1 3.83Å; L84-I240 HydrophobicContact CD1-CD1 4.46Å; L84-I240 HydrophobicContact CD1-CG2 4.31Å; L84-I240 HydrophobicContact CD2-CG2 4Å; L84-I254 WeakPolarHBondContact CA-O 3.21Å; L84-I254 HydrophobicContact CD1-CB 3.65Å; L84-I254 HydrophobicContact CD1-CG2 3.57Å; L84-L289 HydrophobicContact CD2-CD1 4.26Å; L84-L289 HydrophobicContact CD2-CD2 4.01Å; L84-V302 HydrophobicContact CB-CG1 4.11Å; L84-D303 PolarHBondContact N-O 3.42Å; L84-I304 HydrophobicContact CD2-CG1 4.41Å; L84-I304 CarbonylContact O-C 3.2Å; L84-I304 WeakPolarHBondContact O-CA 3.26Å; L84-I305 PolarHBondContact O-N 3.41Å
85	L	98.9	Very high	84.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.4	172.6	179.3	63.9	0	0	0	108.9	L139 W202 I254 L255 A256 I305 T307 V447 M451	L85-L139 HydrophobicContact CD2-CB 4.31Å; L85-W202 HydrophobicContact CD2-CH2 3.34Å; L85-W202 HydrophobicContact CD2-CZ2 3.92Å; L85-W202 HydrophobicContact CD2-CZ3 3.98Å; L85-W202 HydrophobicContact CG-CH2 3.75Å; L85-W202 HydrophobicContact CG-CZ3 3.95Å; L85-I254 PolarHBondContact N-O 2.89Å; L85-L255 HydrophobicContact CB-CD2 4.03Å; L85-L255 HydrophobicContact CD2-CD2 3.98Å; L85-A256 PolarHBondContact O-N 3.47Å; L85-I305 WeakPolarHBondContact CA-O 3.24Å; L85-I305 HydrophobicContact CD1-CB 3.85Å; L85-I305 HydrophobicContact CD1-CG2 3.6Å; L85-T307 HydrophobicContact CD1-CG2 3.84Å; L85-V447 HydrophobicContact CD1-CG1 4.21Å; L85-M451 HydrophobicContact CB-SD 4.05Å; L85-M451 HydrophobicContact CD2-CE 3.97Å; L85-M451 HydrophobicContact CD2-SD 3.8Å; L85-M451 HydrophobicContact CG-SD 4.41Å
86	I	98.9	Very high	87.5	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.8	176.9	-53.9	176.2	0	0	0	107.9	L84 A256 F258 L289 I304 I305 L306 T307	L84-I86 HydrophobicContact CD1-CD1 4.43Å; L84-I86 HydrophobicContact CD1-CG1 3.95Å; L84-I86 HydrophobicContact CD2-CD1 3.98Å; L84-I86 HydrophobicContact CD2-CG1 4.33Å; L84-I86 HydrophobicContact CG-CD1 4.03Å; L84-I86 HydrophobicContact CG-CG1 3.83Å; I86-A256 CarbonylContact C-O 3.46Å; I86-A256 WeakPolarHBondContact CA-O 3.37Å; I86-A256 HydrophobicContact CG1-CB 4.31Å; I86-F258 HydrophobicContact CG2-CD2 3.75Å; I86-F258 HydrophobicContact CG2-CE2 3.77Å; I86-L289 HydrophobicContact CD1-CD2 3.42Å; I86-L289 VanDerWaalsContact CD1-CD2 3.42Å; I86-I304 HydrophobicContact CD1-CG2 4.27Å; I86-I305 PolarHBondContact N-O 2.91Å; I86-L306 HydrophobicContact CB-CD1 3.6Å; I86-L306 HydrophobicContact CD1-CD1 4.47Å; I86-L306 HydrophobicContact CG2-CD1 3.52Å; I86-T307 PolarHBondContact O-N 2.87Å
87	S	98.8	Very high	90.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	170.2	-165.6	0	0	0	0	109.7	H136 A256 Y257 F258 T307	S87-H136 WeakPolarHBondContact CB-NE2 3.49Å; S87-H136 PolarHBondContact OG-NE2 2.96Å; S87-A256 PolarHBondContact N-O 2.87Å; S87-Y257 CarbonylContact O-C 3.55Å; S87-F258 PolarHBondContact O-N 3.33Å; S87-T307 CarbonylContact C-O 3.6Å; S87-T307 VanDerWaalsContact CA-O 3.27Å; S87-T307 WeakPolarHBondContact CA-O 3.35Å
88	M	98.7	Very high	92.8	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.6	166.8	-67.3	174.8	173.3	0	0	107.5	F91 F111 F258 L282 L306 T307 A308 F425	M88-F91 HydrophobicContact CB-CB 4.02Å; M88-F91 HydrophobicContact CB-CD2 3.9Å; M88-F91 HydrophobicContact CB-CG 4.41Å; M88-F91 HydrophobicContact CG-CD2 4.5Å; M88-F91 VanDerWaalsContact O-CB 3.25Å; M88-F91 WeakPolarHBondContact O-CB 3.44Å; M88-F91 PolarHBondContact O-N 2.88Å; M88-F91 HydrophobicContact SD-CD2 3.8Å; M88-F91 HydrophobicContact SD-CE2 3.98Å; M88-F111 HydrophobicContact CE-CZ 4.41Å; M88-F111 HydrophobicContact SD-CZ 4.12Å; M88-F258 CarbonylContact C-O 3.54Å; M88-F258 HydrophobicContact CG-CB 4.25Å; M88-L282 HydrophobicContact CE-CB 4.04Å; M88-L282 HydrophobicContact CE-CD2 4.24Å; M88-L282 HydrophobicContact SD-CB 4.18Å; M88-L282 HydrophobicContact SD-CD1 4.04Å; M88-L282 HydrophobicContact SD-CD2 4.41Å; M88-L282 HydrophobicContact SD-CG 4.44Å; M88-L306 HydrophobicContact CE-CD1 3.85Å; M88-L306 HydrophobicContact CE-CD2 4.45Å; M88-L306 HydrophobicContact CG-CD1 4.2Å; M88-L306 HydrophobicContact SD-CD1 4.01Å; M88-T307 PolarHBondContact N-O 2.55Å; M88-A308 WeakPolarHBondContact O-CB 3.36Å; M88-F425 HydrophobicContact CB-CE1 4.17Å; M88-F425 HydrophobicContact CB-CZ 4.37Å; M88-F425 HydrophobicContact CG-CZ 4.48Å; M88-F425 HydrophobicContact SD-CZ 3.98Å
89	D	98.6	Very high	95.1	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.011	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	135.8	-170.7	-157.3	-35.6	0	0	0	111.7	F91 T132 Y257 F258 E260 P261 D262 H310	D89-F91 PolarHBondContact O-N 2.99Å; D89-T132 WeakPolarHBondContact OD2-CG2 3.31Å; D89-Y257 HydrophobicContact CB-CE2 3.79Å; D89-Y257 WeakPolarHBondContact OD2-CE2 3.3Å; D89-Y257 VanDerWaalsContact OD2-CZ 3.32Å; D89-Y257 PolarHBondContact OD2-OH 2.89Å; D89-F258 WeakPolarHBondContact CB-O 3.43Å; D89-F258 PolarHBondContact N-O 3.33Å; D89-E260 CarbonylContact O-C 3.56Å; D89-P261 VanDerWaalsContact O-CD 3.23Å; D89-P261 WeakPolarHBondContact O-CD 3.21Å; D89-D262 HydrophobicContact CB-CB 3.95Å; D89-D262 PolarHBondContact O-N 3.41Å; D89-D262 VanDerWaalsContact O-N 3.13Å; D89-H310 IonicContact OD1-CE1 3.51Å; D89-H310 PolarHBondContact OD1-CE1 3.1Å; D89-H310 IonicContact OD1-NE2 3.24Å; D89-H310 PolarHBondContact OD1-NE2 3.22Å
90	G	98.5	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	8.6	176.4	0	0	0	0	0	115.3	R92 Y95 D309 H310	G90-R92 PolarHBondContact O-N 3.3Å; G90-Y95 VanDerWaalsContact O-CE2 3.29Å; G90-Y95 WeakPolarHBondContact O-CE2 3.42Å; G90-D309 PolarHBondContact N-OD1 2.85Å; G90-H310 CarbonylContact C-O 3.56Å; G90-H310 VanDerWaalsContact CA-O 3.27Å; G90-H310 WeakPolarHBondContact CA-O 3.17Å
91	F	98.8	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.			trans	-72	95.3	-179	-158.6	-53.2	0	0	0	110.9	M88 D89 Y95 I96 F111 P261 V279 L282 A308 H310 P424 F425	M88-F91 HydrophobicContact CB-CB 4.02Å; M88-F91 HydrophobicContact CB-CD2 3.9Å; M88-F91 HydrophobicContact CB-CG 4.41Å; M88-F91 HydrophobicContact CG-CD2 4.5Å; M88-F91 VanDerWaalsContact O-CB 3.25Å; M88-F91 WeakPolarHBondContact O-CB 3.44Å; M88-F91 PolarHBondContact O-N 2.88Å; M88-F91 HydrophobicContact SD-CD2 3.8Å; M88-F91 HydrophobicContact SD-CE2 3.98Å; D89-F91 PolarHBondContact O-N 2.99Å; F91-Y95 AromaticContact CD1-CD2 3.93Å; F91-Y95 HydrophobicContact CD1-CD2 3.93Å; F91-Y95 HydrophobicContact CD1-CG 4.35Å; F91-Y95 VanDerWaalsContact CE1-CB 3.46Å; F91-Y95 HydrophobicContact CE1-CD2 4.35Å; F91-Y95 HydrophobicContact CE1-CG 4.42Å; F91-Y95 HydrophobicContact CG-CD2 4.22Å; F91-I96 HydrophobicContact CE1-CG1 4.06Å; F91-I96 HydrophobicContact CZ-CG1 4.06Å; F91-F111 HydrophobicContact CE2-CE1 4.42Å; F91-F111 HydrophobicContact CE2-CE2 4.28Å; F91-F111 AromaticContact CE2-CZ 3.69Å; F91-F111 HydrophobicContact CE2-CZ 3.69Å; F91-F111 HydrophobicContact CZ-CE1 4.27Å; F91-F111 HydrophobicContact CZ-CE2 4.24Å; F91-F111 AromaticContact CZ-CZ 3.8Å; F91-F111 HydrophobicContact CZ-CZ 3.8Å; F91-P261 HydrophobicContact CB-CG 4.04Å; F91-P261 HydrophobicContact CD2-CG 4.06Å; F91-P261 HydrophobicContact CG-CG 4.12Å; F91-V279 HydrophobicContact CE2-CG1 4.13Å; F91-V279 HydrophobicContact CE2-CG2 4.07Å; F91-V279 HydrophobicContact CZ-CG1 3.8Å; F91-V279 HydrophobicContact CZ-CG2 4.13Å; F91-L282 HydrophobicContact CD2-CD1 4.07Å; F91-L282 HydrophobicContact CE2-CD1 4.1Å; F91-A308 HydrophobicContact CB-CB 3.89Å; F91-H310 PolarHBondContact N-O 3.01Å; F91-P424 WeakPolarHBondContact O-CA 3.32Å; F91-F425 HydrophobicContact CB-CD1 3.55Å; F91-F425 HydrophobicContact CB-CE1 3.46Å; F91-F425 VanDerWaalsContact CB-CE1 3.46Å; F91-F425 HydrophobicContact CB-CZ 4.44Å; F91-F425 HydrophobicContact CD1-CB 4.1Å; F91-F425 AromaticContact CD1-CD1 3.48Å; F91-F425 HydrophobicContact CD1-CD1 3.48Å; F91-F425 VanDerWaalsContact CD1-CD1 3.48Å; F91-F425 HydrophobicContact CD1-CD2 4.28Å; F91-F425 AromaticContact CD1-CE1 3.84Å; F91-F425 HydrophobicContact CD1-CE1 3.84Å; F91-F425 AromaticContact CD1-CG 3.7Å; F91-F425 HydrophobicContact CD1-CG 3.7Å; F91-F425 HydrophobicContact CD1-CZ 4.36Å; F91-F425 HydrophobicContact CD2-CD1 4.46Å; F91-F425 AromaticContact CD2-CE1 3.99Å; F91-F425 HydrophobicContact CD2-CE1 3.99Å; F91-F425 HydrophobicContact CD2-CZ 4.18Å; F91-F425 HydrophobicContact CE1-CB 4.47Å; F91-F425 HydrophobicContact CE1-CD1 4.29Å; F91-F425 HydrophobicContact CE1-CD2 4.32Å; F91-F425 HydrophobicContact CE1-CG 4.12Å; F91-F425 AromaticContact CG-CD1 3.59Å; F91-F425 HydrophobicContact CG-CD1 3.59Å; F91-F425 AromaticContact CG-CE1 3.5Å; F91-F425 HydrophobicContact CG-CE1 3.5Å; F91-F425 HydrophobicContact CG-CG 4.24Å; F91-F425 HydrophobicContact CG-CZ 4.09Å; F91-F425 WeakPolarHBondContact O-CD1 3.35Å; F91-F425 PolarHBondContact O-N 2.82Å
92	R	98.6	Very high	98.5	Very high	8 Å²	8	22.5 Å²	22.5	3%	0.03	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-65.1	147.9	179.5	-162.5	170.9	78.6	-176.9	5.7	112.4	G90 D94 Y95 N271 M312 E421	G90-R92 PolarHBondContact O-N 3.3Å; R92-D94 WeakPolarHBondContact CG-OD1 3.42Å; R92-D94 IonicContact CZ-OD1 3.18Å; R92-D94 IonicContact CZ-OD2 3.68Å; R92-D94 IonicContact NE-OD1 3.4Å; R92-D94 PolarHBondContact NE-OD1 3.17Å; R92-D94 IonicContact NE-OD2 3.41Å; R92-D94 IonicContact NH2-OD1 3.16Å; R92-D94 PolarHBondContact NH2-OD1 3.45Å; R92-D94 IonicContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact NH2-OD2 2.95Å; R92-D94 PolarHBondContact O-N 3.42Å; R92-Y95 HydrophobicContact CB-CD1 3.8Å; R92-Y95 HydrophobicContact CB-CD2 3.96Å; R92-Y95 HydrophobicContact CB-CE1 3.7Å; R92-Y95 HydrophobicContact CB-CE2 3.84Å; R92-Y95 HydrophobicContact CB-CG 3.97Å; R92-Y95 WeakPolarHBondContact O-CB 3.33Å; R92-Y95 PolarHBondContact O-N 3.32Å; R92-Y95 VanDerWaalsContact O-N 3.09Å; R92-N271 PolarHBondContact NH2-OD1 3.36Å; R92-N271 VanDerWaalsContact NH2-OD1 3.14Å; R92-M312 WeakPolarHBondContact CD-O 3.46Å; R92-M312 PolarHBondContact NH1-O 2.84Å; R92-E421 WeakPolarHBondContact CD-O 3.43Å; R92-E421 WeakPolarHBondContact CG-O 3.46Å
93	H	98.3	Very high	98.6	Very high	50 Å²	50	25.5 Å²	25.5	23%	0.231	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.7	-172.6	75.9	87	0	0	0	116.5	R120 S420 Y423	H93-R120 PolarHBondContact O-NH2 3.15Å; H93-S420 PolarHBondContact CD2-O 2.91Å; H93-Y423 PolarHBondContact N-O 2.68Å
94	D	98.2	Very high	98.6	Very high	35 Å²	35	27 Å²	27	19%	0.187	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	4.4	-175.1	66.3	-18.9	0	0	0	113.8	R92 I96 E97 L98	R92-D94 WeakPolarHBondContact CG-OD1 3.42Å; R92-D94 IonicContact CZ-OD1 3.18Å; R92-D94 IonicContact CZ-OD2 3.68Å; R92-D94 IonicContact NE-OD1 3.4Å; R92-D94 PolarHBondContact NE-OD1 3.17Å; R92-D94 IonicContact NE-OD2 3.41Å; R92-D94 IonicContact NH2-OD1 3.16Å; R92-D94 PolarHBondContact NH2-OD1 3.45Å; R92-D94 IonicContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact NH2-OD2 2.95Å; R92-D94 PolarHBondContact O-N 3.42Å; D94-I96 VanDerWaalsContact C-N 3.27Å; D94-I96 PolarHBondContact O-N 3.27Å; D94-E97 WeakPolarHBondContact CA-OE2 3.47Å; D94-E97 PolarHBondContact O-N 3.23Å; D94-E97 VanDerWaalsContact O-N 3.14Å; D94-L98 WeakPolarHBondContact O-CG 3.35Å; D94-L98 PolarHBondContact O-N 2.72Å; D94-L98 WeakPolarHBondContact OD2-CD1 3.13Å
95	Y	98.8	Very high	98.5	Very high	2 Å²	2	31 Å²	31	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-27.5	-177.5	-80.8	-8.2	0	0	0	113.9	G90 F91 R92 L98 A99 P261 P270 V275 M312	G90-Y95 VanDerWaalsContact O-CE2 3.29Å; G90-Y95 WeakPolarHBondContact O-CE2 3.42Å; F91-Y95 AromaticContact CD1-CD2 3.93Å; F91-Y95 HydrophobicContact CD1-CD2 3.93Å; F91-Y95 HydrophobicContact CD1-CG 4.35Å; F91-Y95 VanDerWaalsContact CE1-CB 3.46Å; F91-Y95 HydrophobicContact CE1-CD2 4.35Å; F91-Y95 HydrophobicContact CE1-CG 4.42Å; F91-Y95 HydrophobicContact CG-CD2 4.22Å; R92-Y95 HydrophobicContact CB-CD1 3.8Å; R92-Y95 HydrophobicContact CB-CD2 3.96Å; R92-Y95 HydrophobicContact CB-CE1 3.7Å; R92-Y95 HydrophobicContact CB-CE2 3.84Å; R92-Y95 HydrophobicContact CB-CG 3.97Å; R92-Y95 WeakPolarHBondContact O-CB 3.33Å; R92-Y95 PolarHBondContact O-N 3.32Å; R92-Y95 VanDerWaalsContact O-N 3.09Å; Y95-L98 HydrophobicContact CD1-CD1 4.08Å; Y95-L98 HydrophobicContact CE1-CD1 4.49Å; Y95-A99 WeakPolarHBondContact O-CB 3.27Å; Y95-A99 PolarHBondContact O-N 2.65Å; Y95-P261 HydrophobicContact CD2-CB 4.46Å; Y95-P261 HydrophobicContact CD2-CG 3.58Å; Y95-P261 HydrophobicContact CE2-CB 4.2Å; Y95-P261 HydrophobicContact CE2-CG 3.47Å; Y95-P261 VanDerWaalsContact CE2-CG 3.47Å; Y95-P270 HydrophobicContact CE1-CB 3.98Å; Y95-P270 VanDerWaalsContact CE1-O 3.26Å; Y95-P270 WeakPolarHBondContact CE1-O 3.27Å; Y95-P270 WeakPolarHBondContact OH-CA 3.17Å; Y95-P270 VanDerWaalsContact OH-CB 3.24Å; Y95-P270 WeakPolarHBondContact OH-CB 3.28Å; Y95-V275 HydrophobicContact CD1-CG1 4.31Å; Y95-V275 HydrophobicContact CD2-CG1 4.22Å; Y95-V275 HydrophobicContact CE1-CG1 4.08Å; Y95-V275 HydrophobicContact CE2-CG1 4.01Å; Y95-V275 HydrophobicContact CG-CG1 4.35Å; Y95-M312 VanDerWaalsContact OH-CB 3.22Å; Y95-M312 WeakPolarHBondContact OH-CB 3.36Å
96	I	98.6	Very high	98.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-48.2	172.2	-66.3	173.2	0	0	0	109.5	F91 D94 K100 L108 F111 I115 I427	F91-I96 HydrophobicContact CE1-CG1 4.06Å; F91-I96 HydrophobicContact CZ-CG1 4.06Å; D94-I96 VanDerWaalsContact C-N 3.27Å; D94-I96 PolarHBondContact O-N 3.27Å; I96-K100 WeakPolarHBondContact O-CG 3.31Å; I96-K100 PolarHBondContact O-N 2.77Å; I96-K100 VanDerWaalsContact O-N 3.14Å; I96-L108 HydrophobicContact CB-CD1 4.3Å; I96-L108 HydrophobicContact CG2-CD1 3.98Å; I96-F111 HydrophobicContact CD1-CB 4.2Å; I96-F111 HydrophobicContact CD1-CD1 3.74Å; I96-F111 HydrophobicContact CD1-CE1 4.32Å; I96-F111 HydrophobicContact CD1-CG 4.04Å; I96-F111 HydrophobicContact CG1-CD1 4.28Å; I96-F111 HydrophobicContact CG1-CG 4.24Å; I96-I115 HydrophobicContact CD1-CD1 4.12Å; I96-I427 HydrophobicContact CD1-CD1 3.78Å
97	E	98.4	Very high	98.4	Very high	77 Å²	77	37.9 Å²	37.9	36%	0.36	21%	0.209	S	C	.	.	H	α-helix	trans	-65.8	-45.6	178.5	-69.5	65.8	-146.1	0	0	111.5	D94 A99 K100 N101 R120	D94-E97 WeakPolarHBondContact CA-OE2 3.47Å; D94-E97 PolarHBondContact O-N 3.23Å; D94-E97 VanDerWaalsContact O-N 3.14Å; E97-A99 PolarHBondContact O-N 2.92Å; E97-K100 PolarHBondContact O-N 3.19Å; E97-N101 PolarHBondContact O-N 3.44Å; E97-N101 PolarHBondContact O-ND2 3.1Å; E97-R120 VanDerWaalsContact CD-NH2 3.28Å; E97-R120 IonicContact OE1-CZ 3.69Å; E97-R120 VanDerWaalsContact OE1-CZ 3.26Å; E97-R120 IonicContact OE1-NH1 3.42Å; E97-R120 PolarHBondContact OE1-NH1 3.37Å; E97-R120 IonicContact OE1-NH2 3.22Å; E97-R120 PolarHBondContact OE1-NH2 3.21Å; E97-R120 IonicContact OE2-CZ 2.94Å; E97-R120 IonicContact OE2-NH1 2.84Å; E97-R120 IonicContact OE2-NH2 3.68Å; E97-R120 PolarHBondContact OE2-NH2 2.91Å
98	L	98.4	Very high	98.4	Very high	36 Å²	36	37.9 Å²	37.9	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-39.5	179.6	-74	173.9	0	0	0	112.7	D94 Y95 N101 H102	D94-L98 WeakPolarHBondContact O-CG 3.35Å; D94-L98 PolarHBondContact O-N 2.72Å; D94-L98 WeakPolarHBondContact OD2-CD1 3.13Å; Y95-L98 HydrophobicContact CD1-CD1 4.08Å; Y95-L98 HydrophobicContact CE1-CD1 4.49Å; L98-N101 PolarHBondContact O-N 2.94Å; L98-H102 PolarHBondContact O-N 3.45Å; L98-H102 VanDerWaalsContact O-N 3.15Å; L98-H102 PolarHBondContact O-ND1 3Å
99	A	98.8	Very high	98.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-43	176.1	0	0	0	0	0	111.3	Y95 E97 N101 H102 L103 L108 A276 V279	Y95-A99 WeakPolarHBondContact O-CB 3.27Å; Y95-A99 PolarHBondContact O-N 2.65Å; E97-A99 PolarHBondContact O-N 2.92Å; A99-N101 VanDerWaalsContact C-N 3.33Å; A99-N101 PolarHBondContact O-N 2.93Å; A99-H102 PolarHBondContact O-N 2.9Å; A99-H102 VanDerWaalsContact O-N 3.14Å; A99-L103 WeakPolarHBondContact O-CB 3.32Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 3.37Å; A99-L108 HydrophobicContact CB-CD1 3.91Å; A99-A276 HydrophobicContact CB-CB 4.06Å; A99-V279 HydrophobicContact CB-CB 4.1Å; A99-V279 HydrophobicContact CB-CG1 3.88Å
100	K	98.6	Very high	98.4	Very high	43 Å²	43	42.3 Å²	42.3	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-36.7	174.4	-72.8	-177.2	-179.3	-160.1	0	113.1	I96 E97 H102 G104 L108 D112	I96-K100 WeakPolarHBondContact O-CG 3.31Å; I96-K100 PolarHBondContact O-N 2.77Å; I96-K100 VanDerWaalsContact O-N 3.14Å; E97-K100 PolarHBondContact O-N 3.19Å; K100-H102 VanDerWaalsContact C-N 3.25Å; K100-H102 PolarHBondContact O-N 3.1Å; K100-G104 WeakPolarHBondContact CA-O 3.34Å; K100-G104 CarbonylContact O-C 3.48Å; K100-G104 VanDerWaalsContact O-C 3.23Å; K100-G104 VanDerWaalsContact O-CA 3.23Å; K100-G104 WeakPolarHBondContact O-CA 3.47Å; K100-G104 PolarHBondContact O-N 3.37Å; K100-L108 HydrophobicContact CG-CD1 4.22Å; K100-L108 HydrophobicContact CG-CG 4.3Å; K100-D112 IonicContact NZ-OD1 2.69Å; K100-D112 PolarHBondContact NZ-OD1 3.24Å; K100-D112 IonicContact NZ-OD2 3.18Å; K100-D112 PolarHBondContact NZ-OD2 3.46Å
101	N	98.4	Very high	98.4	Very high	131 Å²	131	42.3 Å²	42.3	70%	0.701	24%	0.237	S	C	*	.	H	α-helix	trans	-63.4	-33.6	174.6	-70.5	-19.2	0	0	0	112	E97 L98 A99	E97-N101 PolarHBondContact O-N 3.44Å; E97-N101 PolarHBondContact O-ND2 3.1Å; L98-N101 PolarHBondContact O-N 2.94Å; A99-N101 VanDerWaalsContact C-N 3.33Å; A99-N101 PolarHBondContact O-N 2.93Å
102	H	98.5	Very high	98.4	Very high	69 Å²	69	45 Å²	45	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-82.9	-36.1	178.2	-76.7	101.1	0	0	0	114.2	L98 A99 K100 N271 K273 A276	L98-H102 PolarHBondContact O-N 3.45Å; L98-H102 VanDerWaalsContact O-N 3.15Å; L98-H102 PolarHBondContact O-ND1 3Å; A99-H102 PolarHBondContact O-N 2.9Å; A99-H102 VanDerWaalsContact O-N 3.14Å; K100-H102 VanDerWaalsContact C-N 3.25Å; K100-H102 PolarHBondContact O-N 3.1Å; H102-N271 PolarHBondContact CE1-O 3.49Å; H102-N271 PolarHBondContact NE2-O 2.94Å; H102-K273 HydrophobicContact CB-CG 4.49Å; H102-K273 WeakPolarHBondContact CD2-CG 3.29Å; H102-A276 HydrophobicContact CB-CB 3.68Å
103	L	98.6	Very high	98.4	Very high	67 Å²	67	47.2 Å²	47.2	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-113.1	-11.9	-167.4	-58.2	179.7	0	0	0	114.1	A99 A107 A276 Q280	A99-L103 WeakPolarHBondContact O-CB 3.32Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 3.37Å; L103-A107 HydrophobicContact CB-CB 3.56Å; L103-A107 HydrophobicContact CD1-CB 4.44Å; L103-A276 HydrophobicContact CD1-CB 4.12Å; L103-A276 VanDerWaalsContact CD1-O 3.28Å; L103-A276 WeakPolarHBondContact CD1-O 3.14Å; L103-A276 HydrophobicContact CG-CB 4.09Å; L103-Q280 HydrophobicContact CD1-CB 3.98Å
104	G	98.4	Very high	98.4	Very high	36 Å²	36	44.8 Å²	44.8	37%	0.371	25%	0.249	S	C	.	.			trans	107.5	157.8	-175.8	0	0	0	0	0	113.5	K100 N106 A107	K100-G104 WeakPolarHBondContact CA-O 3.34Å; K100-G104 CarbonylContact O-C 3.48Å; K100-G104 VanDerWaalsContact O-C 3.23Å; K100-G104 VanDerWaalsContact O-CA 3.23Å; K100-G104 WeakPolarHBondContact O-CA 3.47Å; K100-G104 PolarHBondContact O-N 3.37Å; G104-N106 PolarHBondContact O-N 2.84Å; G104-A107 VanDerWaalsContact O-CB 3.24Å; G104-A107 WeakPolarHBondContact O-CB 3.33Å; G104-A107 PolarHBondContact O-N 3.18Å; G104-A107 VanDerWaalsContact O-N 3.15Å
105	S	97.3	Very high	98.5	Very high	82 Å²	82	45 Å²	45	57%	0.573	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.4	-173.6	59.7	0	0	0	0	114.5
106	N	97.5	Very high	98.4	Very high	138 Å²	138	48 Å²	48	74%	0.738	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	9.6	-176.5	-58.9	-15	0	0	0	112.8	G104 L108	G104-N106 PolarHBondContact O-N 2.84Å; N106-L108 VanDerWaalsContact C-N 3.28Å; N106-L108 PolarHBondContact O-N 3.43Å
107	A	98.3	Very high	98.4	Very high	12 Å²	12	51.2 Å²	51.2	10%	0.099	29%	0.286	C	S	.	.	S	Bend	trans	-71.7	-20.5	-173.4	0	0	0	0	0	114.1	L103 G104 P109 Q280	L103-A107 HydrophobicContact CB-CB 3.56Å; L103-A107 HydrophobicContact CD1-CB 4.44Å; G104-A107 VanDerWaalsContact O-CB 3.24Å; G104-A107 WeakPolarHBondContact O-CB 3.33Å; G104-A107 PolarHBondContact O-N 3.18Å; G104-A107 VanDerWaalsContact O-N 3.15Å; A107-P109 VanDerWaalsContact C-CD 3.44Å; A107-P109 WeakPolarHBondContact O-CD 3.41Å; A107-Q280 PolarHBondContact O-NE2 2.89Å
108	L	98.7	Very high	98.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.269	C	S	.	.			trans	-126	60.8	-174.4	-54.8	-176.4	0	0	0	112.8	I96 A99 K100 N106 N110 F111 D112 V279 Q280 D283	I96-L108 HydrophobicContact CB-CD1 4.3Å; I96-L108 HydrophobicContact CG2-CD1 3.98Å; A99-L108 HydrophobicContact CB-CD1 3.91Å; K100-L108 HydrophobicContact CG-CD1 4.22Å; K100-L108 HydrophobicContact CG-CG 4.3Å; N106-L108 VanDerWaalsContact C-N 3.28Å; N106-L108 PolarHBondContact O-N 3.43Å; L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 2.7Å; L108-F111 HydrophobicContact CB-CB 4.3Å; L108-F111 HydrophobicContact CB-CD2 4.28Å; L108-F111 HydrophobicContact CD1-CD2 4.28Å; L108-D112 PolarHBondContact O-N 2.95Å; L108-D112 VanDerWaalsContact O-N 3.14Å; L108-V279 HydrophobicContact CD1-CG1 3.86Å; L108-V279 HydrophobicContact CD2-CG1 4.03Å; L108-Q280 HydrophobicContact CD2-CB 4.15Å; L108-D283 VanDerWaalsContact CA-OD1 3.28Å; L108-D283 WeakPolarHBondContact CA-OD1 3.12Å; L108-D283 HydrophobicContact CB-CB 4.49Å; L108-D283 HydrophobicContact CD2-CB 3.79Å
109	P	98.7	Very high	98.4	Very high	73 Å²	73	45.9 Å²	45.9	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-25.7	-174.9	27.8	-36.5	0	0	0	113.8	A107 R113 D283	A107-P109 VanDerWaalsContact C-CD 3.44Å; A107-P109 WeakPolarHBondContact O-CD 3.41Å; P109-R113 WeakPolarHBondContact O-CB 3.42Å; P109-R113 PolarHBondContact O-N 2.84Å; P109-D283 VanDerWaalsContact CD-OD2 3.27Å; P109-D283 WeakPolarHBondContact CD-OD2 3.42Å
110	N	98.9	Very high	98.4	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.139	27%	0.266	C	S	.	.	H	α-helix	trans	-83.7	-35.4	-176.8	-62.3	-70.8	0	0	0	112.5	L108 D112 R113 L114 D283 L286 G287	L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 2.7Å; N110-D112 VanDerWaalsContact C-N 3.34Å; N110-R113 PolarHBondContact O-N 3.29Å; N110-R113 PolarHBondContact OD1-NH2 3Å; N110-L114 WeakPolarHBondContact O-CB 3.4Å; N110-L114 PolarHBondContact O-N 3.33Å; N110-D283 WeakPolarHBondContact CA-OD1 3.16Å; N110-D283 VanDerWaalsContact CB-O 3.27Å; N110-D283 WeakPolarHBondContact CB-O 3.22Å; N110-D283 WeakPolarHBondContact CB-OD1 3.34Å; N110-D283 WeakPolarHBondContact CB-OD2 3.35Å; N110-D283 PolarHBondContact N-OD1 3.02Å; N110-D283 PolarHBondContact N-OD2 3.34Å; N110-D283 PolarHBondContact ND2-O 2.8Å; N110-D283 VanDerWaalsContact ND2-O 3.09Å; N110-D283 PolarHBondContact ND2-OD2 2.94Å; N110-L286 HydrophobicContact CB-CB 4.45Å; N110-L286 HydrophobicContact CB-CD2 4.34Å; N110-L286 HydrophobicContact CB-CG 4.29Å; N110-G287 WeakPolarHBondContact OD1-CA 3.15Å
111	F	98.8	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-43.4	166.5	-80	-68.4	0	0	0	110.8	M88 F91 I96 L108 R113 L114 I115 V279 D283 L286 L306 F425 I427	M88-F111 HydrophobicContact CE-CZ 4.41Å; M88-F111 HydrophobicContact SD-CZ 4.12Å; F91-F111 HydrophobicContact CE2-CE1 4.42Å; F91-F111 HydrophobicContact CE2-CE2 4.28Å; F91-F111 AromaticContact CE2-CZ 3.69Å; F91-F111 HydrophobicContact CE2-CZ 3.69Å; F91-F111 HydrophobicContact CZ-CE1 4.27Å; F91-F111 HydrophobicContact CZ-CE2 4.24Å; F91-F111 AromaticContact CZ-CZ 3.8Å; F91-F111 HydrophobicContact CZ-CZ 3.8Å; I96-F111 HydrophobicContact CD1-CB 4.2Å; I96-F111 HydrophobicContact CD1-CD1 3.74Å; I96-F111 HydrophobicContact CD1-CE1 4.32Å; I96-F111 HydrophobicContact CD1-CG 4.04Å; I96-F111 HydrophobicContact CG1-CD1 4.28Å; I96-F111 HydrophobicContact CG1-CG 4.24Å; L108-F111 HydrophobicContact CB-CB 4.3Å; L108-F111 HydrophobicContact CB-CD2 4.28Å; L108-F111 HydrophobicContact CD1-CD2 4.28Å; F111-R113 VanDerWaalsContact C-N 3.33Å; F111-R113 PolarHBondContact O-N 3.14Å; F111-L114 PolarHBondContact O-N 3.22Å; F111-I115 WeakPolarHBondContact O-CB 3.26Å; F111-I115 VanDerWaalsContact O-CG1 3.27Å; F111-I115 WeakPolarHBondContact O-CG1 3.28Å; F111-I115 PolarHBondContact O-N 3.48Å; F111-V279 HydrophobicContact CE2-CG1 4.28Å; F111-D283 HydrophobicContact CD2-CB 3.7Å; F111-D283 WeakPolarHBondContact CD2-OD1 3.49Å; F111-D283 HydrophobicContact CE2-CB 3.87Å; F111-D283 PolarHBondContact N-OD1 3.04Å; F111-L286 HydrophobicContact CD1-CD2 3.83Å; F111-L286 HydrophobicContact CE1-CD2 3.97Å; F111-L286 HydrophobicContact CG-CD2 4.15Å; F111-L286 HydrophobicContact CZ-CD2 4.39Å; F111-L306 HydrophobicContact CD1-CD2 4.43Å; F111-L306 HydrophobicContact CE1-CD2 3.75Å; F111-F425 AromaticContact CE1-CE2 4Å; F111-F425 HydrophobicContact CE1-CE2 4Å; F111-I427 HydrophobicContact CD1-CD1 4.08Å
112	D	98.7	Very high	98.3	Very high	57 Å²	57	42.1 Å²	42.1	31%	0.305	25%	0.247	S	C	.	.	H	α-helix	trans	-58.8	-46	174.8	-76.9	-23.5	0	0	0	111.9	K100 L108 N110 L114 I115 S116	K100-D112 IonicContact NZ-OD1 2.69Å; K100-D112 PolarHBondContact NZ-OD1 3.24Å; K100-D112 IonicContact NZ-OD2 3.18Å; K100-D112 PolarHBondContact NZ-OD2 3.46Å; L108-D112 PolarHBondContact O-N 2.95Å; L108-D112 VanDerWaalsContact O-N 3.14Å; N110-D112 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.39Å; D112-I115 PolarHBondContact O-N 2.84Å; D112-S116 WeakPolarHBondContact O-CB 3.36Å; D112-S116 PolarHBondContact O-N 3.23Å; D112-S116 PolarHBondContact O-OG 2.99Å
113	R	98.5	Very high	98.3	Very high	54 Å²	54	44 Å²	44	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-51.4	173.1	178.2	172.6	59.2	174	-5.3	111.3	P109 N110 F111 I115 S116 E117 G287 L290 D291	P109-R113 WeakPolarHBondContact O-CB 3.42Å; P109-R113 PolarHBondContact O-N 2.84Å; N110-R113 PolarHBondContact O-N 3.29Å; N110-R113 PolarHBondContact OD1-NH2 3Å; F111-R113 VanDerWaalsContact C-N 3.33Å; F111-R113 PolarHBondContact O-N 3.14Å; R113-I115 VanDerWaalsContact C-N 3.33Å; R113-I115 PolarHBondContact O-N 3.05Å; R113-S116 PolarHBondContact O-N 3.42Å; R113-S116 PolarHBondContact O-OG 2.94Å; R113-E117 HydrophobicContact CG-CG 4.41Å; R113-E117 WeakPolarHBondContact CG-OE1 2.81Å; R113-E117 WeakPolarHBondContact O-CB 3.45Å; R113-E117 WeakPolarHBondContact O-CG 3.21Å; R113-E117 PolarHBondContact O-N 2.86Å; R113-G287 PolarHBondContact NH2-O 3.4Å; R113-L290 VanDerWaalsContact NH2-CB 3.26Å; R113-D291 IonicContact CZ-OD1 2.73Å; R113-D291 IonicContact NH1-OD1 3.73Å; R113-D291 PolarHBondContact NH1-OD1 3.41Å; R113-D291 IonicContact NH2-OD1 3.35Å; R113-D291 PolarHBondContact NH2-OD1 3.1Å
114	L	98.4	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-42.1	-178.2	-169.7	74.4	0	0	0	112.2	N110 F111 D112 E117 G118 L286 L290 L306 I427 R429	N110-L114 WeakPolarHBondContact O-CB 3.4Å; N110-L114 PolarHBondContact O-N 3.33Å; F111-L114 PolarHBondContact O-N 3.22Å; D112-L114 PolarHBondContact O-N 3.39Å; L114-E117 PolarHBondContact O-N 3.24Å; L114-G118 PolarHBondContact O-N 3.12Å; L114-G118 VanDerWaalsContact O-N 3.12Å; L114-L286 HydrophobicContact CB-CD2 4.32Å; L114-L286 HydrophobicContact CD2-CD1 4.41Å; L114-L286 HydrophobicContact CD2-CD2 4.03Å; L114-L290 HydrophobicContact CB-CD1 4.4Å; L114-L290 HydrophobicContact CD1-CD1 4.25Å; L114-L290 HydrophobicContact CD1-CD2 3.92Å; L114-L306 HydrophobicContact CD2-CB 4.18Å; L114-L306 HydrophobicContact CD2-CD2 3.52Å; L114-L306 HydrophobicContact CD2-CG 4.48Å; L114-I427 HydrophobicContact CB-CG2 4.49Å; L114-I427 HydrophobicContact CD2-CB 4Å; L114-I427 HydrophobicContact CD2-CD1 4.38Å; L114-I427 HydrophobicContact CD2-CG2 3.61Å; L114-I427 HydrophobicContact CG-CG2 3.71Å; L114-R429 HydrophobicContact CD1-CB 3.56Å; L114-R429 HydrophobicContact CD1-CG 3.98Å; L114-R429 HydrophobicContact CG-CB 4.25Å
115	I	98.4	Very high	98.2	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.195	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-47	177.1	-68.1	166.9	0	0	0	110.5	I96 F111 D112 R113 E117 G118 R120 I427	I96-I115 HydrophobicContact CD1-CD1 4.12Å; F111-I115 WeakPolarHBondContact O-CB 3.26Å; F111-I115 VanDerWaalsContact O-CG1 3.27Å; F111-I115 WeakPolarHBondContact O-CG1 3.28Å; F111-I115 PolarHBondContact O-N 3.48Å; D112-I115 PolarHBondContact O-N 2.84Å; R113-I115 VanDerWaalsContact C-N 3.33Å; R113-I115 PolarHBondContact O-N 3.05Å; I115-E117 PolarHBondContact O-N 3.28Å; I115-G118 CarbonylContact O-C 3.48Å; I115-G118 PolarHBondContact O-N 2.78Å; I115-R120 HydrophobicContact CG1-CB 4.5Å; I115-I427 HydrophobicContact CD1-CD1 4.09Å; I115-I427 HydrophobicContact CG1-CD1 3.76Å; I115-I427 HydrophobicContact CG1-CG1 4.29Å; I115-I427 HydrophobicContact CG1-CG2 4.29Å
116	S	98.3	Very high	98.3	Very high	66 Å²	66	37 Å²	37	46%	0.462	20%	0.202	S	C	.	.	H	α-helix	trans	-65.6	-28.2	-179.9	72.6	0	0	0	0	113.2	D112 R113 A436	D112-S116 WeakPolarHBondContact O-CB 3.36Å; D112-S116 PolarHBondContact O-N 3.23Å; D112-S116 PolarHBondContact O-OG 2.99Å; R113-S116 PolarHBondContact O-N 3.42Å; R113-S116 PolarHBondContact O-OG 2.94Å; S116-A436 WeakPolarHBondContact O-CB 3.24Å; S116-A436 PolarHBondContact O-N 2.87Å
117	E	98.2	Very high	98.3	Very high	70 Å²	70	30.8 Å²	30.8	33%	0.327	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.1	178.5	-67.7	-175.2	-161.3	0	0	113.4	R113 L114 I115 R429	R113-E117 HydrophobicContact CG-CG 4.41Å; R113-E117 WeakPolarHBondContact CG-OE1 2.81Å; R113-E117 WeakPolarHBondContact O-CB 3.45Å; R113-E117 WeakPolarHBondContact O-CG 3.21Å; R113-E117 PolarHBondContact O-N 2.86Å; L114-E117 PolarHBondContact O-N 3.24Å; I115-E117 PolarHBondContact O-N 3.28Å; E117-R429 HydrophobicContact CB-CG 4.02Å; E117-R429 WeakPolarHBondContact O-CG 3.47Å; E117-R429 IonicContact OE2-CZ 2.65Å; E117-R429 IonicContact OE2-NE 3.4Å; E117-R429 PolarHBondContact OE2-NE 3.33Å; E117-R429 IonicContact OE2-NH2 3.29Å; E117-R429 PolarHBondContact OE2-NH2 3.33Å
118	G	98.6	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-147.7	-152.4	-168.6	0	0	0	0	0	113.9	L114 I115 A428 K434 I435 A436 E437	L114-G118 PolarHBondContact O-N 3.12Å; L114-G118 VanDerWaalsContact O-N 3.12Å; I115-G118 CarbonylContact O-C 3.48Å; I115-G118 PolarHBondContact O-N 2.78Å; G118-A428 CarbonylContact C-O 3.59Å; G118-A428 VanDerWaalsContact CA-O 3.25Å; G118-A428 WeakPolarHBondContact CA-O 3.18Å; G118-K434 CarbonylContact C-O 3.53Å; G118-K434 VanDerWaalsContact CA-O 3.29Å; G118-K434 WeakPolarHBondContact CA-O 3.5Å; G118-I435 CarbonylContact O-C 3.4Å; G118-A436 PolarHBondContact O-N 2.78Å; G118-E437 PolarHBondContact O-N 3.42Å; G118-E437 VanDerWaalsContact O-N 3.12Å
119	V	98.7	Very high	98.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.1	179.1	59.5	0	0	0	0	109.9	I427 A428 F433 K434 E437 V439 I472	V119-I427 CarbonylContact O-C 3.58Å; V119-I427 WeakPolarHBondContact O-CA 3.3Å; V119-A428 HydrophobicContact CG1-CB 3.9Å; V119-A428 PolarHBondContact N-O 3.1Å; V119-A428 PolarHBondContact O-N 2.92Å; V119-F433 HydrophobicContact CG1-CB 4.08Å; V119-F433 HydrophobicContact CG1-CD1 4.32Å; V119-F433 HydrophobicContact CG1-CG 4.46Å; V119-K434 HydrophobicContact CB-CB 4.48Å; V119-E437 VanDerWaalsContact CA-O 3.3Å; V119-E437 WeakPolarHBondContact CA-O 3.39Å; V119-E437 HydrophobicContact CB-CB 4.49Å; V119-E437 HydrophobicContact CG2-CB 4.23Å; V119-V439 HydrophobicContact CG2-CG1 3.9Å; V119-V439 HydrophobicContact CG2-CG2 4.35Å; V119-I472 HydrophobicContact CG1-CB 3.88Å; V119-I472 HydrophobicContact CG2-CB 4.18Å; V119-I472 HydrophobicContact CG2-CG2 4.41Å
120	R	98.7	Very high	98	Very high	36 Å²	36	26.8 Å²	26.8	14%	0.136	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.2	175.9	179.4	173.4	178.6	-170.1	-0.6	110.9	H93 E97 I115 F426 I427 E437 S438 V439	H93-R120 PolarHBondContact O-NH2 3.15Å; E97-R120 VanDerWaalsContact CD-NH2 3.28Å; E97-R120 IonicContact OE1-CZ 3.69Å; E97-R120 VanDerWaalsContact OE1-CZ 3.26Å; E97-R120 IonicContact OE1-NH1 3.42Å; E97-R120 PolarHBondContact OE1-NH1 3.37Å; E97-R120 IonicContact OE1-NH2 3.22Å; E97-R120 PolarHBondContact OE1-NH2 3.21Å; E97-R120 IonicContact OE2-CZ 2.94Å; E97-R120 IonicContact OE2-NH1 2.84Å; E97-R120 IonicContact OE2-NH2 3.68Å; E97-R120 PolarHBondContact OE2-NH2 2.91Å; I115-R120 HydrophobicContact CG1-CB 4.5Å; R120-F426 WeakPolarHBondContact CA-O 3.29Å; R120-I427 HydrophobicContact CB-CG1 4.25Å; R120-I427 HydrophobicContact CG-CG1 4Å; R120-E437 PolarHBondContact N-O 2.96Å; R120-S438 CarbonylContact O-C 3.39Å; R120-S438 VanDerWaalsContact O-CA 3.25Å; R120-S438 WeakPolarHBondContact O-CA 3.29Å; R120-S438 PolarHBondContact O-OG 3.29Å; R120-V439 PolarHBondContact O-N 3.16Å
121	A	98.4	Very high	97.9	Very high	5 Å²	5	25.8 Å²	25.8	4%	0.041	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.2	169.4	0	0	0	0	0	110.6	K123 F426 V439 V442	A121-K123 VanDerWaalsContact C-N 3.34Å; A121-F426 HydrophobicContact CB-CB 4.06Å; A121-F426 HydrophobicContact CB-CD1 4.12Å; A121-F426 HydrophobicContact CB-CG 4.45Å; A121-F426 PolarHBondContact N-O 3.34Å; A121-V439 CarbonylContact C-O 3.11Å; A121-V439 WeakPolarHBondContact CA-O 3.26Å; A121-V439 HydrophobicContact CB-CG2 3.81Å; A121-V442 HydrophobicContact CB-CB 4.27Å; A121-V442 HydrophobicContact CB-CG1 3.79Å; A121-V442 HydrophobicContact CB-CG2 3.58Å
122	A	96.9	Very high	97.8	Very high	54 Å²	54	26 Å²	26	45%	0.446	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-32.5	174.1	0	0	0	0	0	112	V439	A122-V439 PolarHBondContact N-O 3.21Å
123	K	96.6	Very high	97.7	Very high	109 Å²	109	23.3 Å²	23.3	47%	0.474	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.9	174	-59.8	-179.4	-178.3	-179.6	0	109.7	A121 Y423 P440 T441 V442	A121-K123 VanDerWaalsContact C-N 3.34Å; K123-Y423 HydrophobicContact CB-CD2 4.41Å; K123-Y423 HydrophobicContact CD-CE2 4.27Å; K123-Y423 HydrophobicContact CG-CD2 4.4Å; K123-Y423 HydrophobicContact CG-CE2 4.43Å; K123-P440 PolarHBondContact N-O 3.17Å; K123-P440 VanDerWaalsContact N-O 3.07Å; K123-T441 HydrophobicContact CB-CG2 4.38Å; K123-T441 CarbonylContact O-C 3.59Å; K123-T441 VanDerWaalsContact O-CA 3.23Å; K123-T441 WeakPolarHBondContact O-CA 3.3Å; K123-V442 PolarHBondContact O-N 3.32Å
124	S	98.1	Very high	97.5	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.1	167.4	-169.3	0	0	0	0	107.8	Y423 P424 V442	S124-Y423 WeakPolarHBondContact O-CB 3.04Å; S124-Y423 WeakPolarHBondContact O-CD1 3.4Å; S124-P424 WeakPolarHBondContact CB-O 3.18Å; S124-P424 WeakPolarHBondContact O-CD 2.92Å; S124-V442 CarbonylContact C-O 3.58Å; S124-V442 WeakPolarHBondContact CA-O 3.45Å; S124-V442 WeakPolarHBondContact OG-CG2 3.41Å
125	I	98.2	Very high	97.5	Very high	31 Å²	31	20.8 Å²	20.8	16%	0.159	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.5	-177.9	-52.3	-58.5	0	0	0	108.5	Y423 T441 V442 H443 A444	I125-Y423 HydrophobicContact CD1-CD1 3.95Å; I125-Y423 HydrophobicContact CD1-CE1 3.39Å; I125-Y423 HydrophobicContact CD1-CE2 4.18Å; I125-T441 HydrophobicContact CD1-CG2 4.4Å; I125-T441 HydrophobicContact CG1-CG2 3.7Å; I125-V442 PolarHBondContact N-O 3.01Å; I125-H443 CarbonylContact O-C 3.57Å; I125-H443 WeakPolarHBondContact O-CA 3.47Å; I125-A444 PolarHBondContact O-N 3.23Å
126	N	98.3	Very high	97.5	Very high	6 Å²	6	19 Å²	19	3%	0.032	11%	0.105	C	C	.	.			trans	-85.9	-174.1	175.2	58.8	-8.7	0	0	0	111.9	T130 N135 D309 H310 T417 M422 P424	N126-T130 WeakPolarHBondContact ND2-CB 3.37Å; N126-T130 VanDerWaalsContact ND2-CG2 3.3Å; N126-T130 WeakPolarHBondContact ND2-CG2 3.35Å; N126-T130 WeakPolarHBondContact OD1-CG2 3.37Å; N126-N135 WeakPolarHBondContact CB-OD1 3.25Å; N126-D309 VanDerWaalsContact CB-O 3.27Å; N126-D309 WeakPolarHBondContact CB-O 3.46Å; N126-D309 PolarHBondContact ND2-O 3.11Å; N126-D309 VanDerWaalsContact ND2-O 3.15Å; N126-H310 WeakPolarHBondContact ND2-CA 3.44Å; N126-T417 VanDerWaalsContact O-CG2 3.32Å; N126-T417 WeakPolarHBondContact O-CG2 3.29Å; N126-M422 PolarHBondContact ND2-O 3.13Å; N126-P424 HydrophobicContact CB-CG 4.21Å
127	V	97.8	Very high	97.3	Very high	6 Å²	6	16 Å²	16	4%	0.036	8%	0.084	C	C	.	.			trans	-109.4	155.9	179.7	-61.4	0	0	0	0	111.7	P129 T130 N135 T138 Y144 P145 V445	V127-P129 CarbonylContact O-C 3.21Å; V127-P129 VanDerWaalsContact O-O 3.05Å; V127-T130 WeakPolarHBondContact O-CG2 3.33Å; V127-T130 PolarHBondContact O-N 3.41Å; V127-N135 WeakPolarHBondContact CG2-OD1 3.47Å; V127-N135 PolarHBondContact N-OD1 3.29Å; V127-N135 PolarHBondContact O-ND2 2.84Å; V127-N135 PolarHBondContact O-OD1 2.87Å; V127-T138 HydrophobicContact CG1-CG2 3.76Å; V127-T138 HydrophobicContact CG2-CG2 4.21Å; V127-T138 WeakPolarHBondContact CG2-OG1 3.24Å; V127-Y144 HydrophobicContact CB-CD1 4.28Å; V127-Y144 HydrophobicContact CG1-CD1 3.62Å; V127-Y144 HydrophobicContact CG1-CE1 3.87Å; V127-P145 HydrophobicContact CB-CG 4.35Å; V127-P145 HydrophobicContact CG2-CG 3.77Å; V127-V445 HydrophobicContact CG1-CG1 3.89Å
128	Y	96.4	Very high	97.3	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.008	7%	0.068	C	C	.	.	S	Bend	trans	-89.7	134.8	176.9	-177.1	-94.9	0	0	0	111.3	P145 L376 F378 I391 G414	Y128-P145 VanDerWaalsContact O-CG 3.3Å; Y128-P145 WeakPolarHBondContact O-CG 3.36Å; Y128-L376 HydrophobicContact CD1-CB 3.94Å; Y128-L376 HydrophobicContact CD1-CD1 4.09Å; Y128-L376 HydrophobicContact CD1-CD2 4.31Å; Y128-L376 HydrophobicContact CD1-CG 4.34Å; Y128-L376 HydrophobicContact CD2-CD2 4Å; Y128-L376 HydrophobicContact CE1-CD1 4.15Å; Y128-L376 HydrophobicContact CG-CB 4.12Å; Y128-L376 HydrophobicContact CG-CD1 4.35Å; Y128-L376 HydrophobicContact CG-CD2 3.79Å; Y128-L376 HydrophobicContact CG-CG 4.31Å; Y128-F378 HydrophobicContact CD1-CB 4.01Å; Y128-F378 HydrophobicContact CD1-CD1 4.43Å; Y128-F378 AromaticContact CD1-CD2 3.98Å; Y128-F378 HydrophobicContact CD1-CD2 3.98Å; Y128-F378 AromaticContact CD1-CG 3.87Å; Y128-F378 HydrophobicContact CD1-CG 3.87Å; Y128-F378 HydrophobicContact CE1-CD1 4.19Å; Y128-F378 HydrophobicContact CE1-CD2 4.34Å; Y128-F378 HydrophobicContact CE1-CG 4.08Å; Y128-I391 HydrophobicContact CE1-CD1 4.28Å; Y128-I391 WeakPolarHBondContact OH-CD1 3.09Å; Y128-I391 WeakPolarHBondContact OH-CG1 3.27Å; Y128-G414 WeakPolarHBondContact CE2-O 3.32Å
129	P	96	Very high	97.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	S	Bend	cis	-75.2	146.9	-3.6	29.3	-34.7	0	0	0	112.7	V127 I131 P134 N135 V151 M340 F342 F378	V127-P129 CarbonylContact O-C 3.21Å; V127-P129 VanDerWaalsContact O-O 3.05Å; P129-I131 HydrophobicContact CB-CD1 4Å; P129-I131 HydrophobicContact CB-CG1 3.96Å; P129-I131 HydrophobicContact CG-CD1 3.69Å; P129-I131 HydrophobicContact CG-CG1 3.78Å; P129-I131 PolarHBondContact O-N 3.05Å; P129-P134 HydrophobicContact CG-CB 4.48Å; P129-P134 HydrophobicContact CG-CG 4.06Å; P129-N135 PolarHBondContact O-ND2 3.12Å; P129-V151 WeakPolarHBondContact CG-O 3.28Å; P129-M340 HydrophobicContact CB-CE 3.45Å; P129-M340 VanDerWaalsContact CB-CE 3.45Å; P129-F342 HydrophobicContact CG-CZ 4.23Å; P129-F378 HydrophobicContact CG-CE2 4.28Å
130	T	98.1	Very high	97.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.			trans	-80.4	58.5	-178.9	67.8	0	0	0	0	111.2	N126 V127 N135 H310 H413 G414 Y415 T417 M422	N126-T130 WeakPolarHBondContact ND2-CB 3.37Å; N126-T130 VanDerWaalsContact ND2-CG2 3.3Å; N126-T130 WeakPolarHBondContact ND2-CG2 3.35Å; N126-T130 WeakPolarHBondContact OD1-CG2 3.37Å; V127-T130 WeakPolarHBondContact O-CG2 3.33Å; V127-T130 PolarHBondContact O-N 3.41Å; T130-N135 WeakPolarHBondContact CA-ND2 3.17Å; T130-H310 WeakPolarHBondContact O-CB 3.27Å; T130-H310 PolarHBondContact O-CD2 3.14Å; T130-H310 VanDerWaalsContact O-CG 3.26Å; T130-H413 PolarHBondContact O-ND1 3.14Å; T130-G414 WeakPolarHBondContact O-CA 3.15Å; T130-G414 PolarHBondContact O-N 3.13Å; T130-G414 VanDerWaalsContact OG1-C 3.23Å; T130-G414 WeakPolarHBondContact OG1-CA 3.42Å; T130-G414 PolarHBondContact OG1-N 2.78Å; T130-Y415 VanDerWaalsContact CG2-O 3.3Å; T130-Y415 WeakPolarHBondContact CG2-O 3.46Å; T130-Y415 PolarHBondContact OG1-N 2.86Å; T130-Y415 PolarHBondContact OG1-O 3.01Å; T130-Y415 VanDerWaalsContact OG1-O 3.14Å; T130-T417 HydrophobicContact CG2-CG2 3.8Å; T130-M422 HydrophobicContact CG2-CB 4Å; T130-M422 HydrophobicContact CG2-CG 4.34Å; T130-M422 PolarHBondContact OG1-SD 2.52Å
131	I	96.6	Very high	97.2	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.021	6%	0.063	C	C	.	.	S	Bend	trans	-125.9	166.4	179.4	59.9	-175.8	0	0	0	109.9	P129 P134 N135 G152 H310 M340	P129-I131 HydrophobicContact CB-CD1 4Å; P129-I131 HydrophobicContact CB-CG1 3.96Å; P129-I131 HydrophobicContact CG-CD1 3.69Å; P129-I131 HydrophobicContact CG-CG1 3.78Å; P129-I131 PolarHBondContact O-N 3.05Å; I131-P134 HydrophobicContact CD1-CG 4.22Å; I131-P134 HydrophobicContact CG1-CG 3.7Å; I131-P134 WeakPolarHBondContact O-CD 3.31Å; I131-N135 PolarHBondContact N-ND2 3.17Å; I131-N135 PolarHBondContact O-N 2.63Å; I131-N135 PolarHBondContact O-ND2 3.01Å; I131-G152 VanDerWaalsContact CD1-CA 3.47Å; I131-H310 VanDerWaalsContact C-CD2 3.48Å; I131-H310 VanDerWaalsContact CA-CD2 3.45Å; I131-H310 WeakPolarHBondContact CA-CD2 3.05Å; I131-M340 HydrophobicContact CD1-CE 4.41Å; I131-M340 HydrophobicContact CD1-SD 4.21Å; I131-M340 HydrophobicContact CG2-CE 3.82Å; I131-M340 HydrophobicContact CG2-SD 4.26Å
132	T	96.9	Very high	97.2	Very high	6 Å²	6	11 Å²	11	4%	0.037	6%	0.061	C	C	.	.	H	α-helix	trans	-54.1	-64.5	-161.7	-44.3	0	0	0	0	114.8	D89 N135 H136 N153 I167 Y257 D309 H310	D89-T132 WeakPolarHBondContact OD2-CG2 3.31Å; T132-N135 PolarHBondContact O-N 3Å; T132-H136 WeakPolarHBondContact CG2-ND1 3.31Å; T132-H136 WeakPolarHBondContact O-CB 3.33Å; T132-H136 PolarHBondContact O-N 3.17Å; T132-H136 PolarHBondContact O-ND1 3.32Å; T132-N153 PolarHBondContact OG1-ND2 3.24Å; T132-I167 HydrophobicContact CG2-CD1 4.21Å; T132-Y257 HydrophobicContact CG2-CE2 4.41Å; T132-D309 VanDerWaalsContact CA-OD2 3.22Å; T132-D309 WeakPolarHBondContact CA-OD2 3.14Å; T132-H310 PolarHBondContact N-NE2 2.85Å
133	L	94.8	Very high	97.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.3	-43.3	-171.8	-64.9	-171.9	0	0	0	114.9	N135 H136 R137 V150 N153 F165 I167 P203 L204	L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 3.46Å; L133-H136 PolarHBondContact O-N 3.35Å; L133-R137 VanDerWaalsContact O-CB 3.32Å; L133-R137 WeakPolarHBondContact O-CB 3.43Å; L133-R137 PolarHBondContact O-N 3.32Å; L133-V150 HydrophobicContact CB-CG1 3.64Å; L133-N153 WeakPolarHBondContact CG-OD1 3.29Å; L133-N153 PolarHBondContact N-OD1 3.4Å; L133-F165 HydrophobicContact CD1-CD1 4.49Å; L133-F165 HydrophobicContact CD1-CE1 3.33Å; L133-F165 HydrophobicContact CD1-CZ 3.77Å; L133-I167 HydrophobicContact CD1-CB 3.84Å; L133-I167 HydrophobicContact CD1-CD1 4.08Å; L133-I167 HydrophobicContact CD1-CG1 3.85Å; L133-I167 HydrophobicContact CD2-CD1 3.46Å; L133-I167 VanDerWaalsContact CD2-CD1 3.46Å; L133-I167 HydrophobicContact CD2-CG1 3.81Å; L133-I167 HydrophobicContact CG-CB 4.29Å; L133-I167 HydrophobicContact CG-CD1 3.58Å; L133-I167 HydrophobicContact CG-CG1 3.93Å; L133-P203 HydrophobicContact CD2-CB 3.32Å; L133-P203 HydrophobicContact CD2-CG 4.17Å; L133-L204 HydrophobicContact CB-CD1 4.19Å; L133-L204 HydrophobicContact CD1-CD1 4.19Å; L133-L204 HydrophobicContact CD1-CD2 4.42Å; L133-L204 HydrophobicContact CD2-CD1 3.73Å; L133-L204 HydrophobicContact CD2-CG 4.07Å; L133-L204 HydrophobicContact CG-CD1 4.28Å
134	P	95.2	Very high	97.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-55.8	-45.3	176.7	-27.6	36.1	0	0	0	113.1	P129 I131 R137 T138 P145 H148 V150	P129-P134 HydrophobicContact CG-CB 4.48Å; P129-P134 HydrophobicContact CG-CG 4.06Å; I131-P134 HydrophobicContact CD1-CG 4.22Å; I131-P134 HydrophobicContact CG1-CG 3.7Å; I131-P134 WeakPolarHBondContact O-CD 3.31Å; P134-R137 PolarHBondContact O-N 3.27Å; P134-T138 PolarHBondContact O-N 2.76Å; P134-T138 PolarHBondContact O-OG1 3.18Å; P134-P145 HydrophobicContact CB-CB 4.34Å; P134-P145 HydrophobicContact CB-CG 3.83Å; P134-H148 PolarHBondContact O-CE1 3.21Å; P134-H148 PolarHBondContact O-NE2 2.95Å; P134-H148 VanDerWaalsContact O-NE2 3.16Å; P134-V150 WeakPolarHBondContact CA-O 3.49Å; P134-V150 VanDerWaalsContact CB-O 3.24Å; P134-V150 WeakPolarHBondContact CB-O 3.34Å; P134-V150 VanDerWaalsContact CG-O 3.28Å; P134-V150 WeakPolarHBondContact CG-O 3.5Å
135	N	98.3	Very high	96.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-75.4	-42.2	-177.8	-77.4	-79	0	0	0	112.1	N126 V127 P129 T130 I131 T132 L133 R137 T138 L139 D309	N126-N135 WeakPolarHBondContact CB-OD1 3.25Å; V127-N135 WeakPolarHBondContact CG2-OD1 3.47Å; V127-N135 PolarHBondContact N-OD1 3.29Å; V127-N135 PolarHBondContact O-ND2 2.84Å; V127-N135 PolarHBondContact O-OD1 2.87Å; P129-N135 PolarHBondContact O-ND2 3.12Å; T130-N135 WeakPolarHBondContact CA-ND2 3.17Å; I131-N135 PolarHBondContact N-ND2 3.17Å; I131-N135 PolarHBondContact O-N 2.63Å; I131-N135 PolarHBondContact O-ND2 3.01Å; T132-N135 PolarHBondContact O-N 3Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 3.46Å; N135-R137 PolarHBondContact O-N 3.49Å; N135-T138 WeakPolarHBondContact O-CB 3.43Å; N135-T138 PolarHBondContact O-N 3.26Å; N135-T138 VanDerWaalsContact O-N 3.09Å; N135-L139 WeakPolarHBondContact O-CG 3.24Å; N135-L139 PolarHBondContact O-N 3.34Å; N135-D309 HydrophobicContact CB-CB 3.6Å; N135-D309 PolarHBondContact OD1-O 2.84Å
136	H	98	Very high	96.5	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-59.3	-37.1	172.8	-79.4	93.3	0	0	0	112	S87 T132 L133 I140 W202 P203 Y257 D309	S87-H136 WeakPolarHBondContact CB-NE2 3.49Å; S87-H136 PolarHBondContact OG-NE2 2.96Å; T132-H136 WeakPolarHBondContact CG2-ND1 3.31Å; T132-H136 WeakPolarHBondContact O-CB 3.33Å; T132-H136 PolarHBondContact O-N 3.17Å; T132-H136 PolarHBondContact O-ND1 3.32Å; L133-H136 PolarHBondContact O-N 3.35Å; H136-I140 WeakPolarHBondContact O-CG1 3.49Å; H136-W202 HydrophobicContact CB-CZ2 4.46Å; H136-W202 AromaticContact CD2-CH2 3.92Å; H136-W202 AromaticContact CD2-CZ2 3.75Å; H136-P203 HydrophobicContact CB-CB 4.48Å; H136-P203 HydrophobicContact CB-CG 4.01Å; H136-Y257 AromaticContact CE1-CD2 3.81Å; H136-Y257 AromaticContact CE1-CE2 3.52Å; H136-Y257 AromaticContact NE2-CD2 3.32Å; H136-Y257 VanDerWaalsContact NE2-CD2 3.32Å; H136-Y257 WeakPolarHBondContact NE2-CD2 3.34Å; H136-Y257 AromaticContact NE2-CE2 3.55Å; H136-D309 VanDerWaalsContact CE1-CG 3.4Å; H136-D309 IonicContact CE1-OD2 3.62Å; H136-D309 PolarHBondContact CE1-OD2 2.9Å; H136-D309 IonicContact ND1-OD2 2.92Å; H136-D309 PolarHBondContact ND1-OD2 3.45Å
137	R	95.4	Very high	96.1	Very high	2 Å²	2	9 Å²	9	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-68.6	-40.2	174.5	-171.9	62.3	177.5	-172.1	3.2	112.1	L133 P134 N135 L139 I140 T141 H148 V150 P183	L133-R137 VanDerWaalsContact O-CB 3.32Å; L133-R137 WeakPolarHBondContact O-CB 3.43Å; L133-R137 PolarHBondContact O-N 3.32Å; P134-R137 PolarHBondContact O-N 3.27Å; N135-R137 PolarHBondContact O-N 3.49Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.24Å; R137-I140 VanDerWaalsContact O-CG1 3.24Å; R137-I140 WeakPolarHBondContact O-CG1 3.38Å; R137-I140 PolarHBondContact O-N 2.89Å; R137-T141 HydrophobicContact CG-CG2 4.37Å; R137-T141 PolarHBondContact O-N 2.97Å; R137-T141 PolarHBondContact O-OG1 3.5Å; R137-H148 HydrophobicContact CG-CB 3.83Å; R137-H148 VanDerWaalsContact CG-CG 3.5Å; R137-H148 WeakPolarHBondContact CG-ND1 3.33Å; R137-V150 HydrophobicContact CB-CB 4.2Å; R137-V150 HydrophobicContact CB-CG2 4.02Å; R137-V150 HydrophobicContact CG-CB 4.38Å; R137-V150 HydrophobicContact CG-CG2 3.72Å; R137-P183 PolarHBondContact NH2-O 3.13Å
138	T	98.2	Very high	95.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-57.9	-45.7	174.8	-66.1	0	0	0	0	111.5	V127 P134 N135 I140 T141 G142 L143 H148 A444 V445	V127-T138 HydrophobicContact CG1-CG2 3.76Å; V127-T138 HydrophobicContact CG2-CG2 4.21Å; V127-T138 WeakPolarHBondContact CG2-OG1 3.24Å; P134-T138 PolarHBondContact O-N 2.76Å; P134-T138 PolarHBondContact O-OG1 3.18Å; N135-T138 WeakPolarHBondContact O-CB 3.43Å; N135-T138 PolarHBondContact O-N 3.26Å; N135-T138 VanDerWaalsContact O-N 3.09Å; T138-I140 PolarHBondContact O-N 2.76Å; T138-I140 VanDerWaalsContact O-N 3.1Å; T138-T141 PolarHBondContact O-N 3.44Å; T138-G142 WeakPolarHBondContact O-CA 3.09Å; T138-G142 PolarHBondContact O-N 3.46Å; T138-L143 WeakPolarHBondContact CG2-O 3.16Å; T138-L143 PolarHBondContact OG1-O 2.88Å; T138-H148 PolarHBondContact OG1-NE2 2.99Å; T138-H148 VanDerWaalsContact OG1-NE2 3.16Å; T138-A444 HydrophobicContact CG2-CB 4.28Å; T138-V445 HydrophobicContact CG2-CB 4.43Å; T138-V445 HydrophobicContact CG2-CG1 3.65Å
139	L	98.7	Very high	95.5	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-56.8	-31.3	-178.3	-71	173.1	0	0	0	113.2	L85 N135 R137 W202 T307 A444 V447 M451	L85-L139 HydrophobicContact CD2-CB 4.31Å; N135-L139 WeakPolarHBondContact O-CG 3.24Å; N135-L139 PolarHBondContact O-N 3.34Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.24Å; L139-W202 HydrophobicContact CB-CH2 4.5Å; L139-W202 HydrophobicContact CB-CZ2 4.15Å; L139-W202 HydrophobicContact CD1-CH2 4.01Å; L139-W202 HydrophobicContact CD1-CZ2 4.23Å; L139-T307 HydrophobicContact CD1-CG2 4.22Å; L139-T307 HydrophobicContact CD2-CG2 4.48Å; L139-A444 HydrophobicContact CD2-CB 4.14Å; L139-V447 HydrophobicContact CD2-CB 3.94Å; L139-V447 HydrophobicContact CD2-CG1 4.19Å; L139-V447 HydrophobicContact CD2-CG2 3.83Å; L139-M451 WeakPolarHBondContact O-CE 3.22Å
140	I	98	Very high	95.2	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-104	-0.3	-176	61.6	168.3	0	0	0	114.7	H136 R137 T138 P185 I186 W187 W202 L255 Y448	H136-I140 WeakPolarHBondContact O-CG1 3.49Å; R137-I140 VanDerWaalsContact O-CG1 3.24Å; R137-I140 WeakPolarHBondContact O-CG1 3.38Å; R137-I140 PolarHBondContact O-N 2.89Å; T138-I140 PolarHBondContact O-N 2.76Å; T138-I140 VanDerWaalsContact O-N 3.1Å; I140-P185 HydrophobicContact CD1-CB 3.86Å; I140-P185 HydrophobicContact CG1-CB 4.28Å; I140-I186 HydrophobicContact CB-CG2 4.03Å; I140-I186 HydrophobicContact CG2-CG2 4.26Å; I140-I186 PolarHBondContact O-N 2.75Å; I140-W187 HydrophobicContact CD1-CE3 4.21Å; I140-W187 HydrophobicContact CD1-CH2 4.12Å; I140-W187 HydrophobicContact CD1-CZ3 3.37Å; I140-W202 HydrophobicContact CG2-CZ2 3.67Å; I140-L255 HydrophobicContact CG2-CD1 4.03Å; I140-L255 HydrophobicContact CG2-CD2 4.07Å; I140-Y448 VanDerWaalsContact C-CD2 3.48Å; I140-Y448 VanDerWaalsContact O-CD2 3.28Å; I140-Y448 WeakPolarHBondContact O-CD2 3.37Å; I140-Y448 WeakPolarHBondContact O-CE2 3.41Å
141	T	97.4	Very high	94.9	Very high	4 Å²	4	8.8 Å²	8.8	3%	0.025	4%	0.044	C	C	.	.	H	α-helix	trans	-129.1	-19.9	178.5	55.8	0	0	0	0	113.6	R137 T138 L143 P185 Y448	R137-T141 HydrophobicContact CG-CG2 4.37Å; R137-T141 PolarHBondContact O-N 2.97Å; R137-T141 PolarHBondContact O-OG1 3.5Å; T138-T141 PolarHBondContact O-N 3.44Å; T141-L143 PolarHBondContact O-N 3.08Å; T141-L143 PolarHBondContact OG1-N 2.89Å; T141-P185 HydrophobicContact CG2-CB 4.28Å; T141-Y448 VanDerWaalsContact O-CD1 3.26Å; T141-Y448 WeakPolarHBondContact O-CD1 3.4Å; T141-Y448 WeakPolarHBondContact O-CE1 2.88Å
142	G	98.1	Very high	94.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.			trans	67.4	13.7	-173.4	0	0	0	0	0	113.5	T138 V445 Y448 N463 G464	T138-G142 WeakPolarHBondContact O-CA 3.09Å; T138-G142 PolarHBondContact O-N 3.46Å; G142-V445 WeakPolarHBondContact CA-O 3.27Å; G142-Y448 VanDerWaalsContact CA-CB 3.46Å; G142-N463 WeakPolarHBondContact O-CA 3.24Å; G142-N463 WeakPolarHBondContact O-CB 3.32Å; G142-N463 PolarHBondContact O-N 3.22Å; G142-G464 PolarHBondContact O-N 3.32Å
143	L	96.3	Very high	94.5	Very high	20 Å²	20	8.8 Å²	8.8	11%	0.105	4%	0.043	C	C	.	.			trans	-101	152.3	-175.2	-70.4	174.2	0	0	0	111.6	T138 T141 N147 H148 P183 N463	T138-L143 WeakPolarHBondContact CG2-O 3.16Å; T138-L143 PolarHBondContact OG1-O 2.88Å; T141-L143 PolarHBondContact O-N 3.08Å; T141-L143 PolarHBondContact OG1-N 2.89Å; L143-N147 HydrophobicContact CB-CB 4.1Å; L143-N147 HydrophobicContact CD1-CB 4.42Å; L143-N147 HydrophobicContact CD2-CB 3.95Å; L143-N147 HydrophobicContact CG-CB 4.39Å; L143-H148 HydrophobicContact CB-CB 4.06Å; L143-H148 HydrophobicContact CD1-CB 4.22Å; L143-H148 PolarHBondContact O-CD2 3.47Å; L143-P183 HydrophobicContact CD1-CB 3.4Å; L143-P183 VanDerWaalsContact CD1-CB 3.4Å; L143-P183 HydrophobicContact CD1-CG 3.55Å; L143-N463 VanDerWaalsContact CA-OD1 3.27Å; L143-N463 WeakPolarHBondContact CA-OD1 3.38Å
144	Y	95.3	Very high	94.4	Very high	48 Å²	48	9.7 Å²	9.7	19%	0.188	5%	0.05	C	C	.	.			trans	-73.7	160.1	165.9	-65.9	-62	0	0	0	111.8	V127 E146 N147 H148 N377 V445 N463	V127-Y144 HydrophobicContact CB-CD1 4.28Å; V127-Y144 HydrophobicContact CG1-CD1 3.62Å; V127-Y144 HydrophobicContact CG1-CE1 3.87Å; Y144-E146 PolarHBondContact O-N 3.13Å; Y144-E146 VanDerWaalsContact O-N 3.15Å; Y144-N147 PolarHBondContact O-N 2.78Å; Y144-H148 VanDerWaalsContact C-CD2 3.49Å; Y144-H148 PolarHBondContact O-CD2 3.49Å; Y144-H148 PolarHBondContact O-N 3.43Å; Y144-N377 HydrophobicContact CD1-CB 3.73Å; Y144-N377 HydrophobicContact CD2-CB 3.65Å; Y144-N377 HydrophobicContact CE1-CB 4.08Å; Y144-N377 HydrophobicContact CE2-CB 3.99Å; Y144-N377 HydrophobicContact CG-CB 3.52Å; Y144-V445 HydrophobicContact CD1-CG1 4.05Å; Y144-V445 HydrophobicContact CE1-CG1 3.75Å; Y144-N463 HydrophobicContact CD2-CB 3.68Å; Y144-N463 WeakPolarHBondContact CD2-OD1 3.49Å; Y144-N463 HydrophobicContact CE2-CB 3.49Å; Y144-N463 VanDerWaalsContact CE2-CB 3.49Å; Y144-N463 HydrophobicContact CG-CB 4.44Å; Y144-N463 PolarHBondContact N-OD1 3.14Å
145	P	93	Very high	94.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-29.3	179.3	-33.1	43.1	0	0	0	115.6	V127 Y128 P134 N147 H148 G149 V151 F378	V127-P145 HydrophobicContact CB-CG 4.35Å; V127-P145 HydrophobicContact CG2-CG 3.77Å; Y128-P145 VanDerWaalsContact O-CG 3.3Å; Y128-P145 WeakPolarHBondContact O-CG 3.36Å; P134-P145 HydrophobicContact CB-CB 4.34Å; P134-P145 HydrophobicContact CB-CG 3.83Å; P145-N147 VanDerWaalsContact C-N 3.28Å; P145-N147 PolarHBondContact O-N 2.96Å; P145-H148 VanDerWaalsContact CA-CE1 3.4Å; P145-H148 WeakPolarHBondContact CA-CE1 3.47Å; P145-H148 WeakPolarHBondContact CA-NE2 3.36Å; P145-G149 VanDerWaalsContact O-CA 3.28Å; P145-G149 WeakPolarHBondContact O-CA 3.25Å; P145-G149 PolarHBondContact O-N 2.75Å; P145-V151 HydrophobicContact CB-CG1 4.46Å; P145-F378 HydrophobicContact CB-CD2 4.33Å; P145-F378 HydrophobicContact CB-CE2 4.42Å
146	E	89.6	Confident	93.6	Very high	24 Å²	24	11.5 Å²	11.5	11%	0.112	6%	0.059	C	C	.	.	H	α-helix	trans	-66.5	-28	172.5	70.3	-177.3	165.4	0	0	114.2	Y144 N377 N379 I380 M385	Y144-E146 PolarHBondContact O-N 3.13Å; Y144-E146 VanDerWaalsContact O-N 3.15Å; E146-N377 WeakPolarHBondContact CG-O 3.43Å; E146-N379 PolarHBondContact OE2-N 3.12Å; E146-I380 WeakPolarHBondContact OE2-CG1 3.45Å; E146-I380 PolarHBondContact OE2-N 2.59Å; E146-M385 HydrophobicContact CB-CE 3.57Å
147	N	90.9	Very high	93	Very high	68 Å²	68	11.7 Å²	11.7	36%	0.364	6%	0.06	S	C	.	.	H	α-helix	trans	-93.5	-39.3	-178.1	-56.4	116.2	0	0	0	112.4	L143 Y144 P145 N463	L143-N147 HydrophobicContact CB-CB 4.1Å; L143-N147 HydrophobicContact CD1-CB 4.42Å; L143-N147 HydrophobicContact CD2-CB 3.95Å; L143-N147 HydrophobicContact CG-CB 4.39Å; Y144-N147 PolarHBondContact O-N 2.78Å; P145-N147 VanDerWaalsContact C-N 3.28Å; P145-N147 PolarHBondContact O-N 2.96Å; N147-N463 PolarHBondContact OD1-OD1 2.98Å
148	H	91.1	Very high	92.4	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-86.1	-11.9	174.8	66	66.4	0	0	0	114.1	P134 R137 T138 L143 Y144 P145 V150 P183	P134-H148 PolarHBondContact O-CE1 3.21Å; P134-H148 PolarHBondContact O-NE2 2.95Å; P134-H148 VanDerWaalsContact O-NE2 3.16Å; R137-H148 HydrophobicContact CG-CB 3.83Å; R137-H148 VanDerWaalsContact CG-CG 3.5Å; R137-H148 WeakPolarHBondContact CG-ND1 3.33Å; T138-H148 PolarHBondContact OG1-NE2 2.99Å; T138-H148 VanDerWaalsContact OG1-NE2 3.16Å; L143-H148 HydrophobicContact CB-CB 4.06Å; L143-H148 HydrophobicContact CD1-CB 4.22Å; L143-H148 PolarHBondContact O-CD2 3.47Å; Y144-H148 VanDerWaalsContact C-CD2 3.49Å; Y144-H148 PolarHBondContact O-CD2 3.49Å; Y144-H148 PolarHBondContact O-N 3.43Å; P145-H148 VanDerWaalsContact CA-CE1 3.4Å; P145-H148 WeakPolarHBondContact CA-CE1 3.47Å; P145-H148 WeakPolarHBondContact CA-NE2 3.36Å; H148-V150 VanDerWaalsContact C-N 3.29Å; H148-V150 PolarHBondContact CE1-O 2.88Å; H148-V150 VanDerWaalsContact ND1-CB 3.34Å; H148-V150 WeakPolarHBondContact ND1-CB 3.46Å; H148-V150 WeakPolarHBondContact ND1-CG2 3.28Å; H148-V150 PolarHBondContact ND1-N 3.02Å; H148-V150 PolarHBondContact O-N 3.37Å; H148-P183 HydrophobicContact CB-CG 4.29Å
149	G	89.1	Confident	91.6	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.031	12%	0.118	C	C	.	.			trans	70.3	20.8	172.5	0	0	0	0	0	114.7	P145 R384	P145-G149 VanDerWaalsContact O-CA 3.28Å; P145-G149 WeakPolarHBondContact O-CA 3.25Å; P145-G149 PolarHBondContact O-N 2.75Å; G149-R384 WeakPolarHBondContact O-CD 3.06Å; G149-R384 PolarHBondContact O-NH1 3.21Å
150	V	90.8	Very high	90.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.			trans	-107.8	88.4	173.6	-167.5	0	0	0	0	106.4	L133 P134 R137 H148 L155 W182 L204	L133-V150 HydrophobicContact CB-CG1 3.64Å; P134-V150 WeakPolarHBondContact CA-O 3.49Å; P134-V150 VanDerWaalsContact CB-O 3.24Å; P134-V150 WeakPolarHBondContact CB-O 3.34Å; P134-V150 VanDerWaalsContact CG-O 3.28Å; P134-V150 WeakPolarHBondContact CG-O 3.5Å; R137-V150 HydrophobicContact CB-CB 4.2Å; R137-V150 HydrophobicContact CB-CG2 4.02Å; R137-V150 HydrophobicContact CG-CB 4.38Å; R137-V150 HydrophobicContact CG-CG2 3.72Å; H148-V150 VanDerWaalsContact C-N 3.29Å; H148-V150 PolarHBondContact CE1-O 2.88Å; H148-V150 VanDerWaalsContact ND1-CB 3.34Å; H148-V150 WeakPolarHBondContact ND1-CB 3.46Å; H148-V150 WeakPolarHBondContact ND1-CG2 3.28Å; H148-V150 PolarHBondContact ND1-N 3.02Å; H148-V150 PolarHBondContact O-N 3.37Å; V150-L155 HydrophobicContact CG1-CD1 4.37Å; V150-W182 HydrophobicContact CB-CH2 4.18Å; V150-W182 HydrophobicContact CB-CZ2 4.3Å; V150-W182 HydrophobicContact CG1-CH2 4.04Å; V150-W182 HydrophobicContact CG1-CZ2 4.39Å; V150-W182 HydrophobicContact CG2-CD2 3.99Å; V150-W182 HydrophobicContact CG2-CE3 3.93Å; V150-W182 HydrophobicContact CG2-CH2 3.1Å; V150-W182 HydrophobicContact CG2-CZ2 3.21Å; V150-W182 HydrophobicContact CG2-CZ3 3.5Å; V150-L204 HydrophobicContact CG1-CD1 4.26Å
151	V	91	Very high	89.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.			trans	-96.9	-8.1	-166.8	-55.2	0	0	0	0	112.7	P129 P145 L155 F342 F378 R384 M385	P129-V151 WeakPolarHBondContact CG-O 3.28Å; P145-V151 HydrophobicContact CB-CG1 4.46Å; V151-L155 HydrophobicContact CB-CD2 4.3Å; V151-L155 HydrophobicContact CG2-CD2 3.37Å; V151-F342 HydrophobicContact CG2-CE2 4.29Å; V151-F342 WeakPolarHBondContact O-CE2 3.24Å; V151-F342 WeakPolarHBondContact O-CZ 3.33Å; V151-F378 HydrophobicContact CB-CE2 3.72Å; V151-F378 HydrophobicContact CB-CZ 3.86Å; V151-F378 HydrophobicContact CG1-CE2 4.13Å; V151-F378 HydrophobicContact CG1-CZ 4.45Å; V151-R384 WeakPolarHBondContact CG2-O 3.21Å; V151-M385 HydrophobicContact CB-CE 4.29Å; V151-M385 HydrophobicContact CB-SD 4.12Å; V151-M385 HydrophobicContact CG1-CE 3.29Å; V151-M385 HydrophobicContact CG1-CG 4.47Å; V151-M385 HydrophobicContact CG1-SD 3.54Å; V151-M385 VanDerWaalsContact CG1-SD 3.54Å
152	G	92.9	Very high	89.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-173	178.7	174.9	0	0	0	0	0	113.6	I131 S154 L155	I131-G152 VanDerWaalsContact CD1-CA 3.47Å; G152-S154 VanDerWaalsContact C-N 3.27Å; G152-L155 VanDerWaalsContact N-CD2 3.34Å
153	N	93.4	Very high	88.6	Confident	10 Å²	10	46.1 Å²	46.1	5%	0.053	22%	0.224	C	C	.	.	S	Bend	trans	-74.5	-20.2	180	-75.7	-0.9	0	0	0	112.6	T132 L133 I167	T132-N153 PolarHBondContact OG1-ND2 3.24Å; L133-N153 WeakPolarHBondContact CG-OD1 3.29Å; L133-N153 PolarHBondContact N-OD1 3.4Å; N153-I167 HydrophobicContact CB-CB 4.37Å; N153-I167 HydrophobicContact CB-CG2 3.89Å; N153-I167 PolarHBondContact O-N 3.47Å
154	S	92.2	Very high	88.2	Confident	20 Å²	20	50.2 Å²	50.2	14%	0.14	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136	168.1	-57.7	0	0	0	0	110.9	G152 F165 T335	G152-S154 VanDerWaalsContact C-N 3.27Å; S154-F165 CarbonylContact C-O 3.53Å; S154-F165 WeakPolarHBondContact CA-O 3.36Å; S154-F165 WeakPolarHBondContact CB-O 3.11Å; S154-T335 WeakPolarHBondContact CB-O 3.36Å; S154-T335 WeakPolarHBondContact O-CB 3.44Å; S154-T335 PolarHBondContact O-OG1 2.93Å
155	L	87.6	Confident	87.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.5	-167.5	-56.1	168	0	0	0	111.4	V150 V151 G152 F165	V150-L155 HydrophobicContact CG1-CD1 4.37Å; V151-L155 HydrophobicContact CB-CD2 4.3Å; V151-L155 HydrophobicContact CG2-CD2 3.37Å; G152-L155 VanDerWaalsContact N-CD2 3.34Å; L155-F165 HydrophobicContact CB-CB 3.91Å; L155-F165 HydrophobicContact CB-CD1 4.18Å; L155-F165 HydrophobicContact CD1-CD1 3.62Å; L155-F165 HydrophobicContact CD1-CE1 4.19Å; L155-F165 HydrophobicContact CD1-CG 4.46Å; L155-F165 HydrophobicContact CG-CD1 3.86Å; L155-F165 PolarHBondContact N-O 2.84Å; L155-F165 VanDerWaalsContact N-O 3.1Å; L155-F165 PolarHBondContact O-N 2.98Å
156	L	88.6	Confident	87.7	Confident	36 Å²	36	49.2 Å²	49.2	19%	0.188	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.9	162.8	-82.2	171.3	0	0	0	108.5	I164 T335 Y344 R384	L156-I164 HydrophobicContact CD2-CB 4.48Å; L156-I164 HydrophobicContact CD2-CG1 3.55Å; L156-I164 HydrophobicContact CG-CG1 4.19Å; L156-T335 HydrophobicContact CB-CG2 4.15Å; L156-T335 HydrophobicContact CD1-CG2 3.72Å; L156-T335 HydrophobicContact CG-CG2 3.56Å; L156-Y344 HydrophobicContact CB-CE1 4.02Å; L156-Y344 HydrophobicContact CD1-CD1 4Å; L156-Y344 HydrophobicContact CD1-CD2 3.91Å; L156-Y344 HydrophobicContact CD1-CE1 3.88Å; L156-Y344 HydrophobicContact CD1-CE2 3.82Å; L156-Y344 HydrophobicContact CD1-CG 4.01Å; L156-R384 WeakPolarHBondContact O-CA 3.47Å
157	D	85.4	Confident	87.7	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.027	24%	0.24	C	C	.	.			trans	-123.5	131.8	171.7	-162.8	-35.8	0	0	0	109.2	K159 W160 S383 R384	D157-K159 PolarHBondContact O-N 2.93Å; D157-K159 VanDerWaalsContact O-N 3.14Å; D157-K159 PolarHBondContact OD1-N 3.26Å; D157-W160 CarbonylContact O-C 3.47Å; D157-W160 VanDerWaalsContact O-C 3.23Å; D157-W160 PolarHBondContact O-N 3.13Å; D157-S383 WeakPolarHBondContact OD1-CB 3.41Å; D157-S383 PolarHBondContact OD1-OG 3.04Å; D157-S383 PolarHBondContact OD2-OG 3.08Å; D157-R384 HydrophobicContact CB-CG 3.9Å; D157-R384 WeakPolarHBondContact OD2-CG 3.43Å; D157-R384 IonicContact OD2-CZ 3.47Å; D157-R384 IonicContact OD2-NE 3.9Å; D157-R384 PolarHBondContact OD2-NE 3.43Å; D157-R384 IonicContact OD2-NH2 2.61Å
158	K	82.8	Confident	87.5	Confident	152 Å²	152	51.7 Å²	51.7	66%	0.661	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.2	176.1	-66.3	-179.2	-177.1	-176.6	0	113	W160	K158-W160 PolarHBondContact O-N 3.45Å
159	K	81	Confident	87.3	Confident	127 Å²	127	54.6 Å²	54.6	55%	0.552	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.6	174.2	-65.5	-173.7	-176.5	-174.7	0	112.7	D157 D181	D157-K159 PolarHBondContact O-N 2.93Å; D157-K159 VanDerWaalsContact O-N 3.14Å; D157-K159 PolarHBondContact OD1-N 3.26Å; K159-D181 IonicContact NZ-OD2 3.19Å; K159-D181 PolarHBondContact NZ-OD2 3.47Å
160	W	82.9	Confident	87	Confident	106 Å²	106	56.7 Å²	56.7	40%	0.402	27%	0.274	S	S	.	.	S	Bend	trans	-135.1	65.8	-174.5	-57.4	91.6	0	0	0	111	D157 K158 N162 K163 P177	D157-W160 CarbonylContact O-C 3.47Å; D157-W160 VanDerWaalsContact O-C 3.23Å; D157-W160 PolarHBondContact O-N 3.13Å; K158-W160 PolarHBondContact O-N 3.45Å; W160-N162 PolarHBondContact O-N 3.42Å; W160-K163 HydrophobicContact CB-CB 4.32Å; W160-K163 HydrophobicContact CE3-CD 4.34Å; W160-K163 PolarHBondContact O-N 3.22Å; W160-K163 VanDerWaalsContact O-N 3.08Å; W160-P177 HydrophobicContact CD2-CB 3.79Å; W160-P177 HydrophobicContact CD2-CG 3.46Å; W160-P177 VanDerWaalsContact CD2-CG 3.46Å; W160-P177 HydrophobicContact CE3-CB 4.17Å; W160-P177 HydrophobicContact CE3-CG 3.86Å; W160-P177 HydrophobicContact CG-CB 4.41Å; W160-P177 HydrophobicContact CG-CG 3.74Å; W160-P177 HydrophobicContact CH2-CB 3.78Å; W160-P177 HydrophobicContact CH2-CG 4.38Å; W160-P177 HydrophobicContact CZ2-CB 3.37Å; W160-P177 HydrophobicContact CZ2-CG 4.06Å; W160-P177 HydrophobicContact CZ3-CB 4.16Å; W160-P177 HydrophobicContact CZ3-CG 4.29Å
161	P	79.3	Confident	86.8	Confident	92 Å²	92	63 Å²	63	60%	0.597	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.4	-167.3	24.4	-35.3	0	0	0	115.1
162	N	82.4	Confident	86.5	Confident	159 Å²	159	63.4 Å²	63.4	85%	0.85	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	12.4	-178.5	-60.5	-25.4	0	0	0	113.4	W160	W160-N162 PolarHBondContact O-N 3.42Å
163	K	84.7	Confident	86.1	Confident	96 Å²	96	63.4 Å²	63.4	42%	0.417	31%	0.306	S	S	.	.			trans	-126.2	123.1	180	-66.1	-168.8	174.1	-166.8	0	110.2	W160 P177 W178	W160-K163 HydrophobicContact CB-CB 4.32Å; W160-K163 HydrophobicContact CE3-CD 4.34Å; W160-K163 PolarHBondContact O-N 3.22Å; W160-K163 VanDerWaalsContact O-N 3.08Å; K163-P177 HydrophobicContact CD-CG 4.27Å; K163-W178 HydrophobicContact CB-CZ3 4.28Å
164	I	87.4	Confident	85.6	Confident	105 Å²	105	65.6 Å²	65.6	54%	0.538	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.1	170.4	-63.3	168.9	0	0	0	106.9	L156	L156-I164 HydrophobicContact CD2-CB 4.48Å; L156-I164 HydrophobicContact CD2-CG1 3.55Å; L156-I164 HydrophobicContact CG-CG1 4.19Å
165	F	89	Confident	84.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.2	166.7	179.8	-123.3	0	0	0	110.1	L133 S154 L155 S172 L173 W178 L204	L133-F165 HydrophobicContact CD1-CD1 4.49Å; L133-F165 HydrophobicContact CD1-CE1 3.33Å; L133-F165 HydrophobicContact CD1-CZ 3.77Å; S154-F165 CarbonylContact C-O 3.53Å; S154-F165 WeakPolarHBondContact CA-O 3.36Å; S154-F165 WeakPolarHBondContact CB-O 3.11Å; L155-F165 HydrophobicContact CB-CB 3.91Å; L155-F165 HydrophobicContact CB-CD1 4.18Å; L155-F165 HydrophobicContact CD1-CD1 3.62Å; L155-F165 HydrophobicContact CD1-CE1 4.19Å; L155-F165 HydrophobicContact CD1-CG 4.46Å; L155-F165 HydrophobicContact CG-CD1 3.86Å; L155-F165 PolarHBondContact N-O 2.84Å; L155-F165 VanDerWaalsContact N-O 3.1Å; L155-F165 PolarHBondContact O-N 2.98Å; F165-S172 VanDerWaalsContact CD2-CB 3.5Å; F165-L173 HydrophobicContact CE2-CD2 4.1Å; F165-L173 HydrophobicContact CZ-CD2 3.97Å; F165-W178 HydrophobicContact CB-CH2 3.39Å; F165-W178 HydrophobicContact CB-CZ2 3.19Å; F165-W178 HydrophobicContact CB-CZ3 4.13Å; F165-W178 AromaticContact CD2-CE2 3.74Å; F165-W178 AromaticContact CD2-CH2 3.94Å; F165-W178 HydrophobicContact CD2-CH2 3.94Å; F165-W178 AromaticContact CD2-CZ2 3.08Å; F165-W178 HydrophobicContact CD2-CZ2 3.08Å; F165-W178 AromaticContact CD2-NE1 3.95Å; F165-W178 HydrophobicContact CE2-CZ2 4.05Å; F165-W178 AromaticContact CG-CE2 3.73Å; F165-W178 HydrophobicContact CG-CH2 4.04Å; F165-W178 AromaticContact CG-CZ2 3.33Å; F165-W178 HydrophobicContact CG-CZ2 3.33Å; F165-W178 AromaticContact CG-NE1 3.94Å; F165-L204 HydrophobicContact CE1-CD2 4.29Å; F165-L204 HydrophobicContact CE2-CD2 4.35Å; F165-L204 HydrophobicContact CZ-CD2 3.58Å
166	S	89.8	Confident	83.9	Confident	28 Å²	28	70.4 Å²	70.4	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134	165.7	-178.4	0	0	0	0	110.8	Y168 D169 S172	S166-Y168 PolarHBondContact O-N 2.98Å; S166-Y168 PolarHBondContact OG-N 3.19Å; S166-D169 PolarHBondContact O-N 2.82Å; S166-D169 VanDerWaalsContact O-N 3.16Å; S166-S172 PolarHBondContact N-OG 3.39Å; S166-S172 WeakPolarHBondContact O-CB 3.49Å
167	I	89.4	Confident	82.7	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.9	171.2	-164.2	-175.9	0	0	0	112.7	T132 L133 N153 D169 Y221	T132-I167 HydrophobicContact CG2-CD1 4.21Å; L133-I167 HydrophobicContact CD1-CB 3.84Å; L133-I167 HydrophobicContact CD1-CD1 4.08Å; L133-I167 HydrophobicContact CD1-CG1 3.85Å; L133-I167 HydrophobicContact CD2-CD1 3.46Å; L133-I167 VanDerWaalsContact CD2-CD1 3.46Å; L133-I167 HydrophobicContact CD2-CG1 3.81Å; L133-I167 HydrophobicContact CG-CB 4.29Å; L133-I167 HydrophobicContact CG-CD1 3.58Å; L133-I167 HydrophobicContact CG-CG1 3.93Å; N153-I167 HydrophobicContact CB-CB 4.37Å; N153-I167 HydrophobicContact CB-CG2 3.89Å; N153-I167 PolarHBondContact O-N 3.47Å; I167-D169 VanDerWaalsContact C-N 3.31Å; I167-Y221 HydrophobicContact CD1-CE1 3.67Å; I167-Y221 WeakPolarHBondContact CD1-OH 3.45Å; I167-Y221 HydrophobicContact CG1-CD1 4.31Å; I167-Y221 HydrophobicContact CG1-CE1 3.54Å
168	Y	86	Confident	81.9	Confident	141 Å²	141	69.9 Å²	69.9	55%	0.553	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.7	-176.9	-51.8	-63.8	0	0	0	113.5	S166 N225	S166-Y168 PolarHBondContact O-N 2.98Å; S166-Y168 PolarHBondContact OG-N 3.19Å; Y168-N225 WeakPolarHBondContact CD1-ND2 3.27Å
169	D	86.8	Confident	80.9	Confident	62 Å²	62	62.6 Å²	62.6	33%	0.332	30%	0.304	S	S	.	.			trans	-109.8	119.3	179.3	167.6	31	0	0	0	109.8	S166 I167 E171 S172 L173	S166-D169 PolarHBondContact O-N 2.82Å; S166-D169 VanDerWaalsContact O-N 3.16Å; I167-D169 VanDerWaalsContact C-N 3.31Å; D169-E171 VanDerWaalsContact C-N 3.28Å; D169-E171 PolarHBondContact O-N 3.39Å; D169-E171 WeakPolarHBondContact OD1-CB 3.31Å; D169-E171 PolarHBondContact OD1-N 3Å; D169-S172 WeakPolarHBondContact O-CB 3.34Å; D169-S172 PolarHBondContact O-N 3.3Å; D169-S172 WeakPolarHBondContact OD2-CB 3.28Å; D169-S172 PolarHBondContact OD2-N 2.9Å; D169-S172 PolarHBondContact OD2-OG 2.93Å; D169-L173 PolarHBondContact O-N 3.46Å; D169-L173 VanDerWaalsContact O-N 3.08Å
170	Q	84.5	Confident	80	Confident	48 Å²	48	61 Å²	61	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-29.4	-179.9	-167	63.1	57.3	0	0	111.8	S172 L173 N174 D206 A222	Q170-S172 VanDerWaalsContact C-N 3.33Å; Q170-L173 PolarHBondContact O-N 3.45Å; Q170-N174 PolarHBondContact NE2-OD1 2.58Å; Q170-N174 WeakPolarHBondContact O-CB 3.32Å; Q170-N174 PolarHBondContact O-N 3.43Å; Q170-N174 PolarHBondContact O-ND2 2.96Å; Q170-D206 PolarHBondContact NE2-OD1 2.79Å; Q170-A222 HydrophobicContact CB-CB 3.66Å; Q170-A222 HydrophobicContact CG-CB 4.24Å
171	E	84.6	Confident	79.5	Confident	132 Å²	132	60.3 Å²	60.3	62%	0.617	31%	0.31	S	S	*	.	H	α-helix	trans	-63.6	-45.5	174.9	-168.7	-174.2	161.5	0	0	109.7	D169 L173 N174 H175	D169-E171 VanDerWaalsContact C-N 3.28Å; D169-E171 PolarHBondContact O-N 3.39Å; D169-E171 WeakPolarHBondContact OD1-CB 3.31Å; D169-E171 PolarHBondContact OD1-N 3Å; E171-L173 VanDerWaalsContact C-N 3.34Å; E171-L173 PolarHBondContact O-N 2.91Å; E171-N174 PolarHBondContact O-N 3.05Å; E171-H175 WeakPolarHBondContact O-CB 3.44Å; E171-H175 PolarHBondContact O-N 3.17Å
172	S	86.3	Confident	79.5	Confident	8 Å²	8	56.3 Å²	56.3	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-52.4	-45.4	169.5	-83.8	0	0	0	0	113	F165 S166 D169 Q170 A176	F165-S172 VanDerWaalsContact CD2-CB 3.5Å; S166-S172 PolarHBondContact N-OG 3.39Å; S166-S172 WeakPolarHBondContact O-CB 3.49Å; D169-S172 WeakPolarHBondContact O-CB 3.34Å; D169-S172 PolarHBondContact O-N 3.3Å; D169-S172 WeakPolarHBondContact OD2-CB 3.28Å; D169-S172 PolarHBondContact OD2-N 2.9Å; D169-S172 PolarHBondContact OD2-OG 2.93Å; Q170-S172 VanDerWaalsContact C-N 3.33Å; S172-A176 WeakPolarHBondContact O-CB 3.22Å; S172-A176 PolarHBondContact O-N 2.98Å
173	L	84.6	Confident	79.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.9	-31.9	179.9	-66.6	173.8	0	0	0	113.9	F165 D169 Q170 E171 L204 D206 Q207 Y221	F165-L173 HydrophobicContact CE2-CD2 4.1Å; F165-L173 HydrophobicContact CZ-CD2 3.97Å; D169-L173 PolarHBondContact O-N 3.46Å; D169-L173 VanDerWaalsContact O-N 3.08Å; Q170-L173 PolarHBondContact O-N 3.45Å; E171-L173 VanDerWaalsContact C-N 3.34Å; E171-L173 PolarHBondContact O-N 2.91Å; L173-L204 HydrophobicContact CD2-CD2 4.19Å; L173-D206 HydrophobicContact CB-CB 4.36Å; L173-Q207 WeakPolarHBondContact O-CB 3.41Å; L173-Y221 HydrophobicContact CD1-CD1 3.78Å; L173-Y221 HydrophobicContact CD1-CG 4.05Å
174	N	81.8	Confident	80.2	Confident	57 Å²	57	47.9 Å²	47.9	31%	0.305	24%	0.243	S	C	.	.	H	α-helix	trans	-87.9	-32.4	-175.9	-70.9	-11.6	0	0	0	113.9	Q170 E171 Q207	Q170-N174 PolarHBondContact NE2-OD1 2.58Å; Q170-N174 WeakPolarHBondContact O-CB 3.32Å; Q170-N174 PolarHBondContact O-N 3.43Å; Q170-N174 PolarHBondContact O-ND2 2.96Å; E171-N174 PolarHBondContact O-N 3.05Å; N174-Q207 VanDerWaalsContact C-OE1 3.23Å; N174-Q207 WeakPolarHBondContact O-CB 3.43Å; N174-Q207 VanDerWaalsContact O-CD 3.28Å; N174-Q207 WeakPolarHBondContact O-CG 3.36Å; N174-Q207 PolarHBondContact O-OE1 2.92Å
175	H	76.2	Confident	80.6	Confident	122 Å²	122	42.9 Å²	42.9	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-129.4	8	-165.7	-59.2	-59.6	0	0	0	113.8	E171 P177	E171-H175 WeakPolarHBondContact O-CB 3.44Å; E171-H175 PolarHBondContact O-N 3.17Å; H175-P177 WeakPolarHBondContact O-CD 3.25Å
176	A	68.1	Low	81.1	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.008	22%	0.217	C	C	.	.			trans	-43.3	106.9	170	0	0	0	0	0	111.5	S172 W178 L179 Q207	S172-A176 WeakPolarHBondContact O-CB 3.22Å; S172-A176 PolarHBondContact O-N 2.98Å; A176-W178 HydrophobicContact CB-CD2 4.09Å; A176-W178 HydrophobicContact CB-CG 4.38Å; A176-W178 HydrophobicContact CB-CH2 4.18Å; A176-W178 HydrophobicContact CB-CZ2 3.19Å; A176-W178 VanDerWaalsContact CB-NE1 3.29Å; A176-W178 PolarHBondContact O-N 3.27Å; A176-W178 VanDerWaalsContact O-N 3.1Å; A176-L179 HydrophobicContact CB-CD1 3.98Å; A176-L179 HydrophobicContact CB-CG 3.7Å; A176-L179 PolarHBondContact O-N 2.97Å; A176-Q207 PolarHBondContact O-NE2 3.28Å; A176-Q207 PolarHBondContact O-OE1 3.21Å
177	P	64.5	Low	81.4	Confident	22 Å²	22	41.6 Å²	41.6	14%	0.143	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.2	-22.5	-179	26.2	-34.1	0	0	0	112.1	W160 K163 H175 L179 T180	W160-P177 HydrophobicContact CD2-CB 3.79Å; W160-P177 HydrophobicContact CD2-CG 3.46Å; W160-P177 VanDerWaalsContact CD2-CG 3.46Å; W160-P177 HydrophobicContact CE3-CB 4.17Å; W160-P177 HydrophobicContact CE3-CG 3.86Å; W160-P177 HydrophobicContact CG-CB 4.41Å; W160-P177 HydrophobicContact CG-CG 3.74Å; W160-P177 HydrophobicContact CH2-CB 3.78Å; W160-P177 HydrophobicContact CH2-CG 4.38Å; W160-P177 HydrophobicContact CZ2-CB 3.37Å; W160-P177 HydrophobicContact CZ2-CG 4.06Å; W160-P177 HydrophobicContact CZ3-CB 4.16Å; W160-P177 HydrophobicContact CZ3-CG 4.29Å; K163-P177 HydrophobicContact CD-CG 4.27Å; H175-P177 WeakPolarHBondContact O-CD 3.25Å; P177-L179 PolarHBondContact O-N 2.9Å; P177-T180 PolarHBondContact O-OG1 3.28Å
178	W	67.2	Low	81.7	Confident	7 Å²	7	41.5 Å²	41.5	3%	0.027	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-76.2	-13	-176.4	52.8	71.4	0	0	0	115.1	K163 F165 A176 T180 W182 R384	K163-W178 HydrophobicContact CB-CZ3 4.28Å; F165-W178 HydrophobicContact CB-CH2 3.39Å; F165-W178 HydrophobicContact CB-CZ2 3.19Å; F165-W178 HydrophobicContact CB-CZ3 4.13Å; F165-W178 AromaticContact CD2-CE2 3.74Å; F165-W178 AromaticContact CD2-CH2 3.94Å; F165-W178 HydrophobicContact CD2-CH2 3.94Å; F165-W178 AromaticContact CD2-CZ2 3.08Å; F165-W178 HydrophobicContact CD2-CZ2 3.08Å; F165-W178 AromaticContact CD2-NE1 3.95Å; F165-W178 HydrophobicContact CE2-CZ2 4.05Å; F165-W178 AromaticContact CG-CE2 3.73Å; F165-W178 HydrophobicContact CG-CH2 4.04Å; F165-W178 AromaticContact CG-CZ2 3.33Å; F165-W178 HydrophobicContact CG-CZ2 3.33Å; F165-W178 AromaticContact CG-NE1 3.94Å; A176-W178 HydrophobicContact CB-CD2 4.09Å; A176-W178 HydrophobicContact CB-CG 4.38Å; A176-W178 HydrophobicContact CB-CH2 4.18Å; A176-W178 HydrophobicContact CB-CZ2 3.19Å; A176-W178 VanDerWaalsContact CB-NE1 3.29Å; A176-W178 PolarHBondContact O-N 3.27Å; A176-W178 VanDerWaalsContact O-N 3.1Å; W178-T180 PolarHBondContact O-N 3.22Å; W178-W182 AromaticContact CD1-CZ2 3.83Å; W178-W182 AromaticContact CD1-NE1 3.84Å; W178-W182 PolarHBondContact O-NE1 2.9Å; W178-R384 PolarHBondContact O-NH2 3.19Å
179	L	63.2	Low	82.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-68.9	-20.2	179.3	-63.9	-175.2	0	0	0	113.4	A176 P177 D181 W182 L204 Q207	A176-L179 HydrophobicContact CB-CD1 3.98Å; A176-L179 HydrophobicContact CB-CG 3.7Å; A176-L179 PolarHBondContact O-N 2.97Å; P177-L179 PolarHBondContact O-N 2.9Å; L179-D181 VanDerWaalsContact C-N 3.35Å; L179-D181 PolarHBondContact O-N 2.93Å; L179-W182 HydrophobicContact CD2-CD2 3.58Å; L179-W182 VanDerWaalsContact CD2-CE2 3.48Å; L179-W182 HydrophobicContact CD2-CE3 3.46Å; L179-W182 VanDerWaalsContact CD2-CE3 3.46Å; L179-W182 HydrophobicContact CD2-CG 4.41Å; L179-W182 HydrophobicContact CD2-CH2 3.25Å; L179-W182 HydrophobicContact CD2-CZ2 3.33Å; L179-W182 HydrophobicContact CD2-CZ3 3.3Å; L179-W182 WeakPolarHBondContact O-CB 3.34Å; L179-W182 PolarHBondContact O-N 3.38Å; L179-L204 HydrophobicContact CD2-CD2 4.19Å; L179-Q207 HydrophobicContact CD1-CB 3.66Å; L179-Q207 HydrophobicContact CD1-CG 3.89Å
180	T	62	Low	82.5	Confident	92 Å²	92	32 Å²	32	56%	0.564	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-63.3	-37.2	179.5	47.6	0	0	0	0	113.1	P177 W178 W182	P177-T180 PolarHBondContact O-OG1 3.28Å; W178-T180 PolarHBondContact O-N 3.22Å; T180-W182 VanDerWaalsContact C-N 3.35Å
181	D	72.4	Confident	83	Confident	93 Å²	93	31.2 Å²	31.2	50%	0.497	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-90.6	9.5	-179.9	-66.9	-32.9	0	0	0	113.4	K159 L179	K159-D181 IonicContact NZ-OD2 3.19Å; K159-D181 PolarHBondContact NZ-OD2 3.47Å; L179-D181 VanDerWaalsContact C-N 3.35Å; L179-D181 PolarHBondContact O-N 2.93Å
182	W	79.1	Confident	83.4	Confident	7 Å²	7	30.5 Å²	30.5	3%	0.027	16%	0.16	C	C	.	.	S	Bend	trans	-78.3	145	-177.4	-79.6	22.7	0	0	0	111.9	V150 W178 L179 T180 E184 L204 R384	V150-W182 HydrophobicContact CB-CH2 4.18Å; V150-W182 HydrophobicContact CB-CZ2 4.3Å; V150-W182 HydrophobicContact CG1-CH2 4.04Å; V150-W182 HydrophobicContact CG1-CZ2 4.39Å; V150-W182 HydrophobicContact CG2-CD2 3.99Å; V150-W182 HydrophobicContact CG2-CE3 3.93Å; V150-W182 HydrophobicContact CG2-CH2 3.1Å; V150-W182 HydrophobicContact CG2-CZ2 3.21Å; V150-W182 HydrophobicContact CG2-CZ3 3.5Å; W178-W182 AromaticContact CD1-CZ2 3.83Å; W178-W182 AromaticContact CD1-NE1 3.84Å; W178-W182 PolarHBondContact O-NE1 2.9Å; L179-W182 HydrophobicContact CD2-CD2 3.58Å; L179-W182 VanDerWaalsContact CD2-CE2 3.48Å; L179-W182 HydrophobicContact CD2-CE3 3.46Å; L179-W182 VanDerWaalsContact CD2-CE3 3.46Å; L179-W182 HydrophobicContact CD2-CG 4.41Å; L179-W182 HydrophobicContact CD2-CH2 3.25Å; L179-W182 HydrophobicContact CD2-CZ2 3.33Å; L179-W182 HydrophobicContact CD2-CZ3 3.3Å; L179-W182 WeakPolarHBondContact O-CB 3.34Å; L179-W182 PolarHBondContact O-N 3.38Å; T180-W182 VanDerWaalsContact C-N 3.35Å; W182-E184 PolarHBondContact O-N 2.96Å; W182-L204 HydrophobicContact CH2-CB 4.41Å; W182-L204 HydrophobicContact CH2-CD1 3.48Å; W182-L204 VanDerWaalsContact CH2-CD1 3.48Å; W182-L204 HydrophobicContact CH2-CD2 3.61Å; W182-L204 HydrophobicContact CH2-CG 3.98Å; W182-L204 HydrophobicContact CZ3-CB 3.97Å; W182-L204 HydrophobicContact CZ3-CD1 3.55Å; W182-L204 HydrophobicContact CZ3-CD2 4.02Å; W182-L204 HydrophobicContact CZ3-CG 4.02Å; W182-R384 VanDerWaalsContact NE1-CZ 3.32Å
183	P	89.1	Confident	83.5	Confident	40 Å²	40	33.7 Å²	33.7	26%	0.26	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-55.4	141.8	173.1	-27.5	37.5	0	0	0	111.4	R137 L143 H148 P185	R137-P183 PolarHBondContact NH2-O 3.13Å; L143-P183 HydrophobicContact CD1-CB 3.4Å; L143-P183 VanDerWaalsContact CD1-CB 3.4Å; L143-P183 HydrophobicContact CD1-CG 3.55Å; H148-P183 HydrophobicContact CB-CG 4.29Å; P183-P185 WeakPolarHBondContact O-CD 3.3Å
184	E	93.3	Very high	83.7	Confident	39 Å²	39	34.6 Å²	34.6	18%	0.182	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-57	119.3	-177	-173.1	-178.6	95.9	0	0	111.8	W182 V188 T189 Q192 N460	W182-E184 PolarHBondContact O-N 2.96Å; E184-V188 HydrophobicContact CG-CB 3.55Å; E184-V188 HydrophobicContact CG-CG1 3.57Å; E184-V188 HydrophobicContact CG-CG2 4.43Å; E184-T189 VanDerWaalsContact OE1-CA 3.31Å; E184-T189 WeakPolarHBondContact OE1-CA 3.33Å; E184-T189 VanDerWaalsContact OE1-CB 3.31Å; E184-T189 WeakPolarHBondContact OE1-CB 3.21Å; E184-T189 PolarHBondContact OE1-N 3Å; E184-T189 PolarHBondContact OE1-OG1 3.14Å; E184-Q192 PolarHBondContact OE2-NE2 2.9Å; E184-Q192 PolarHBondContact OE2-OE1 3.12Å; E184-N460 PolarHBondContact OE1-ND2 2.93Å
185	P	95.7	Very high	84.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-82.6	160	175.7	33	-31.6	0	0	0	111.1	I140 T141 P183 W187 V188 T189 V209	I140-P185 HydrophobicContact CD1-CB 3.86Å; I140-P185 HydrophobicContact CG1-CB 4.28Å; T141-P185 HydrophobicContact CG2-CB 4.28Å; P183-P185 WeakPolarHBondContact O-CD 3.3Å; P185-W187 HydrophobicContact CB-CD2 4.06Å; P185-W187 HydrophobicContact CB-CE3 3.65Å; P185-W187 HydrophobicContact CB-CH2 3.77Å; P185-W187 HydrophobicContact CB-CZ2 4.14Å; P185-W187 HydrophobicContact CB-CZ3 3.53Å; P185-W187 HydrophobicContact CG-CD2 3.65Å; P185-W187 VanDerWaalsContact CG-CE2 3.4Å; P185-W187 HydrophobicContact CG-CE3 3.72Å; P185-W187 HydrophobicContact CG-CH2 3.36Å; P185-W187 HydrophobicContact CG-CZ2 3.24Å; P185-W187 HydrophobicContact CG-CZ3 3.61Å; P185-W187 PolarHBondContact O-N 3.28Å; P185-V188 HydrophobicContact CG-CG2 3.93Å; P185-V188 WeakPolarHBondContact O-CB 3.45Å; P185-V188 PolarHBondContact O-N 3.11Å; P185-T189 PolarHBondContact O-N 2.92Å; P185-V209 HydrophobicContact CG-CB 4.41Å; P185-V209 HydrophobicContact CG-CG1 4.3Å
186	I	97.6	Very high	85.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-53.3	-31.4	-171.9	-166.3	167.5	0	0	0	115.4	I140 V188 T189 L190 L253 Y448 M451 L455 I457	I140-I186 HydrophobicContact CB-CG2 4.03Å; I140-I186 HydrophobicContact CG2-CG2 4.26Å; I140-I186 PolarHBondContact O-N 2.75Å; I186-V188 VanDerWaalsContact C-N 3.32Å; I186-V188 PolarHBondContact O-N 3.42Å; I186-T189 PolarHBondContact O-N 2.7Å; I186-L190 VanDerWaalsContact O-CB 3.24Å; I186-L190 WeakPolarHBondContact O-CB 3.49Å; I186-L190 PolarHBondContact O-N 3.01Å; I186-L253 HydrophobicContact CB-CD2 4.46Å; I186-L253 HydrophobicContact CG1-CD2 4.3Å; I186-L253 HydrophobicContact CG2-CD2 3.53Å; I186-Y448 HydrophobicContact CB-CD2 4.02Å; I186-Y448 HydrophobicContact CB-CE2 3.8Å; I186-Y448 HydrophobicContact CD1-CD2 4.25Å; I186-Y448 HydrophobicContact CD1-CE2 4.42Å; I186-Y448 HydrophobicContact CG1-CD2 4.43Å; I186-Y448 HydrophobicContact CG1-CE2 4.18Å; I186-M451 HydrophobicContact CD1-CB 3.36Å; I186-M451 HydrophobicContact CD1-CE 3.88Å; I186-M451 HydrophobicContact CD1-CG 4.44Å; I186-M451 HydrophobicContact CD1-SD 4.35Å; I186-M451 HydrophobicContact CG2-CE 4.45Å; I186-L455 HydrophobicContact CD1-CD1 3.88Å; I186-L455 HydrophobicContact CG1-CD1 4.25Å; I186-I457 HydrophobicContact CG1-CD1 4.02Å
187	W	96.6	Very high	86.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-36.3	179.2	70.9	82.2	0	0	0	112.1	I140 P185 Q191 A197 T205 V209 P214 L255	I140-W187 HydrophobicContact CD1-CE3 4.21Å; I140-W187 HydrophobicContact CD1-CH2 4.12Å; I140-W187 HydrophobicContact CD1-CZ3 3.37Å; P185-W187 HydrophobicContact CB-CD2 4.06Å; P185-W187 HydrophobicContact CB-CE3 3.65Å; P185-W187 HydrophobicContact CB-CH2 3.77Å; P185-W187 HydrophobicContact CB-CZ2 4.14Å; P185-W187 HydrophobicContact CB-CZ3 3.53Å; P185-W187 HydrophobicContact CG-CD2 3.65Å; P185-W187 VanDerWaalsContact CG-CE2 3.4Å; P185-W187 HydrophobicContact CG-CE3 3.72Å; P185-W187 HydrophobicContact CG-CH2 3.36Å; P185-W187 HydrophobicContact CG-CZ2 3.24Å; P185-W187 HydrophobicContact CG-CZ3 3.61Å; P185-W187 PolarHBondContact O-N 3.28Å; W187-Q191 WeakPolarHBondContact O-CB 3.41Å; W187-Q191 WeakPolarHBondContact O-CG 3.26Å; W187-Q191 PolarHBondContact O-N 3.37Å; W187-A197 HydrophobicContact CB-CB 3.57Å; W187-T205 HydrophobicContact CE3-CG2 4.26Å; W187-T205 HydrophobicContact CH2-CG2 3.85Å; W187-T205 HydrophobicContact CZ3-CG2 3.67Å; W187-V209 HydrophobicContact CZ2-CB 4.31Å; W187-V209 HydrophobicContact CZ2-CG2 3.99Å; W187-P214 HydrophobicContact CB-CG 4.46Å; W187-P214 HydrophobicContact CD2-CG 4.07Å; W187-P214 HydrophobicContact CG-CG 3.99Å; W187-L255 HydrophobicContact CE3-CD1 4.04Å
188	V	95.5	Very high	88.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-50.1	177.7	179.4	0	0	0	0	108.8	E184 P185 I186 L190 Q191 Q192 V209 D212	E184-V188 HydrophobicContact CG-CB 3.55Å; E184-V188 HydrophobicContact CG-CG1 3.57Å; E184-V188 HydrophobicContact CG-CG2 4.43Å; P185-V188 HydrophobicContact CG-CG2 3.93Å; P185-V188 WeakPolarHBondContact O-CB 3.45Å; P185-V188 PolarHBondContact O-N 3.11Å; I186-V188 VanDerWaalsContact C-N 3.32Å; I186-V188 PolarHBondContact O-N 3.42Å; V188-L190 VanDerWaalsContact C-N 3.26Å; V188-L190 PolarHBondContact O-N 2.88Å; V188-Q191 PolarHBondContact O-N 3.35Å; V188-Q191 VanDerWaalsContact O-N 3.13Å; V188-Q192 HydrophobicContact CG1-CG 4.26Å; V188-Q192 VanDerWaalsContact CG1-NE2 3.31Å; V188-Q192 WeakPolarHBondContact O-CB 3.28Å; V188-Q192 WeakPolarHBondContact O-CG 3.47Å; V188-Q192 PolarHBondContact O-N 3.41Å; V188-V209 HydrophobicContact CG2-CB 4.5Å; V188-D212 HydrophobicContact CG1-CB 4.37Å; V188-D212 HydrophobicContact CG2-CB 4.19Å
189	T	95.3	Very high	89.5	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-54.7	-44.6	176.5	-45.6	0	0	0	0	111.2	E184 P185 I186 N193 I457 N460	E184-T189 VanDerWaalsContact OE1-CA 3.31Å; E184-T189 WeakPolarHBondContact OE1-CA 3.33Å; E184-T189 VanDerWaalsContact OE1-CB 3.31Å; E184-T189 WeakPolarHBondContact OE1-CB 3.21Å; E184-T189 PolarHBondContact OE1-N 3Å; E184-T189 PolarHBondContact OE1-OG1 3.14Å; P185-T189 PolarHBondContact O-N 2.92Å; I186-T189 PolarHBondContact O-N 2.7Å; T189-N193 PolarHBondContact O-N 3.01Å; T189-N193 PolarHBondContact O-ND2 3.45Å; T189-I457 HydrophobicContact CG2-CD1 4.12Å; T189-N460 PolarHBondContact OG1-ND2 2.89Å
190	L	95.9	Very high	91.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-46.5	177.8	174.9	64.2	0	0	0	112.5	F77 I186 V188 N193 G194 G195 A197 N252 L253 L455 I457	F77-L190 HydrophobicContact CE1-CD1 4.43Å; I186-L190 VanDerWaalsContact O-CB 3.24Å; I186-L190 WeakPolarHBondContact O-CB 3.49Å; I186-L190 PolarHBondContact O-N 3.01Å; V188-L190 VanDerWaalsContact C-N 3.26Å; V188-L190 PolarHBondContact O-N 2.88Å; L190-N193 CarbonylContact O-C 3.6Å; L190-N193 PolarHBondContact O-N 3.33Å; L190-N193 VanDerWaalsContact O-N 3.17Å; L190-G194 PolarHBondContact O-N 3.5Å; L190-G195 PolarHBondContact O-N 3.05Å; L190-A197 HydrophobicContact CD2-CB 4.22Å; L190-N252 HydrophobicContact CD1-CB 4.06Å; L190-N252 HydrophobicContact CD2-CB 4.02Å; L190-L253 HydrophobicContact CD2-CB 3.47Å; L190-L253 VanDerWaalsContact CD2-CB 3.47Å; L190-L253 HydrophobicContact CD2-CD2 4.41Å; L190-L455 HydrophobicContact CD1-CB 4.48Å; L190-L455 HydrophobicContact CD1-CD1 4.43Å; L190-L455 HydrophobicContact CD1-CD2 4.29Å; L190-L455 HydrophobicContact CD2-CD1 4.4Å; L190-I457 HydrophobicContact CB-CD1 4.16Å; L190-I457 HydrophobicContact CD1-CG2 4.28Å
191	Q	95	Very high	92.7	Very high	31 Å²	31	24.5 Å²	24.5	15%	0.145	13%	0.125	C	C	.	.	H	α-helix	trans	-72.8	-34.6	-175.4	-73	177.7	171.6	0	0	112.8	W187 V188 N193 G194 G195 D212 L213 F215	W187-Q191 WeakPolarHBondContact O-CB 3.41Å; W187-Q191 WeakPolarHBondContact O-CG 3.26Å; W187-Q191 PolarHBondContact O-N 3.37Å; V188-Q191 PolarHBondContact O-N 3.35Å; V188-Q191 VanDerWaalsContact O-N 3.13Å; Q191-N193 PolarHBondContact O-N 3.19Å; Q191-G194 PolarHBondContact O-N 2.94Å; Q191-G195 WeakPolarHBondContact CA-O 3.47Å; Q191-G195 WeakPolarHBondContact CG-O 3.48Å; Q191-D212 WeakPolarHBondContact CB-OD2 3.47Å; Q191-D212 PolarHBondContact NE2-OD1 2.71Å; Q191-D212 PolarHBondContact NE2-OD2 2.93Å; Q191-L213 PolarHBondContact NE2-O 3.01Å; Q191-F215 VanDerWaalsContact OE1-CB 3.29Å
192	Q	91.8	Very high	93.8	Very high	118 Å²	118	20 Å²	20	55%	0.551	10%	0.102	S	C	*	.	H	α-helix	trans	-61.9	-32	168.9	-71.2	174.9	1.6	0	0	112.1	E184 V188 G194	E184-Q192 PolarHBondContact OE2-NE2 2.9Å; E184-Q192 PolarHBondContact OE2-OE1 3.12Å; V188-Q192 HydrophobicContact CG1-CG 4.26Å; V188-Q192 VanDerWaalsContact CG1-NE2 3.31Å; V188-Q192 WeakPolarHBondContact O-CB 3.28Å; V188-Q192 WeakPolarHBondContact O-CG 3.47Å; V188-Q192 PolarHBondContact O-N 3.41Å; Q192-G194 VanDerWaalsContact C-N 3.28Å; Q192-G194 PolarHBondContact O-N 2.59Å
193	N	89.1	Confident	94.3	Very high	74 Å²	74	19.8 Å²	19.8	40%	0.396	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	2.7	174.5	-77.7	-91.4	0	0	0	113.5	F77 T189 L190 Q191 I457	F77-N193 VanDerWaalsContact CD2-O 3.25Å; F77-N193 WeakPolarHBondContact CD2-O 3.21Å; F77-N193 HydrophobicContact CE2-CB 3.99Å; F77-N193 WeakPolarHBondContact CE2-O 3.2Å; F77-N193 HydrophobicContact CZ-CB 3.93Å; T189-N193 PolarHBondContact O-N 3.01Å; T189-N193 PolarHBondContact O-ND2 3.45Å; L190-N193 CarbonylContact O-C 3.6Å; L190-N193 PolarHBondContact O-N 3.33Å; L190-N193 VanDerWaalsContact O-N 3.17Å; Q191-N193 PolarHBondContact O-N 3.19Å; N193-I457 HydrophobicContact CB-CG2 3.85Å
194	G	87.8	Confident	94.3	Very high	19 Å²	19	18 Å²	18	20%	0.196	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	8.2	174	0	0	0	0	0	115.6	L190 Q191 Q192	L190-G194 PolarHBondContact O-N 3.5Å; Q191-G194 PolarHBondContact O-N 2.94Å; Q192-G194 VanDerWaalsContact C-N 3.28Å; Q192-G194 PolarHBondContact O-N 2.59Å
195	G	92.3	Very high	94.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.01	8%	0.08	C	C	.	.			trans	-85.1	175.9	168.6	0	0	0	0	0	112.9	L190 Q191 N252	L190-G195 PolarHBondContact O-N 3.05Å; Q191-G195 WeakPolarHBondContact CA-O 3.47Å; Q191-G195 WeakPolarHBondContact CG-O 3.48Å; G195-N252 WeakPolarHBondContact CA-OD1 3.29Å
196	Y	95.6	Very high	93.7	Very high	88 Å²	88	16.6 Å²	16.6	35%	0.345	8%	0.083	S	C	.	.			trans	-125.9	136.7	175.9	-62.2	-65.8	0	0	0	112	F215 L251 N252 L253	Y196-F215 HydrophobicContact CD1-CB 3.99Å; Y196-F215 HydrophobicContact CD1-CD1 4.09Å; Y196-F215 AromaticContact CD1-CD2 3.46Å; Y196-F215 HydrophobicContact CD1-CD2 3.46Å; Y196-F215 VanDerWaalsContact CD1-CD2 3.46Å; Y196-F215 HydrophobicContact CD1-CE1 4.47Å; Y196-F215 AromaticContact CD1-CE2 3.89Å; Y196-F215 HydrophobicContact CD1-CE2 3.89Å; Y196-F215 AromaticContact CD1-CG 3.57Å; Y196-F215 HydrophobicContact CD1-CG 3.57Å; Y196-F215 HydrophobicContact CD1-CZ 4.37Å; Y196-F215 AromaticContact CE1-CD2 3.74Å; Y196-F215 HydrophobicContact CE1-CD2 3.74Å; Y196-F215 AromaticContact CE1-CE2 3.78Å; Y196-F215 HydrophobicContact CE1-CE2 3.78Å; Y196-F215 HydrophobicContact CE1-CG 4.3Å; Y196-F215 HydrophobicContact CE1-CZ 4.39Å; Y196-F215 HydrophobicContact CG-CD1 4.29Å; Y196-F215 HydrophobicContact CG-CD2 4.41Å; Y196-F215 HydrophobicContact CG-CG 4.16Å; Y196-L251 CarbonylContact O-C 3.47Å; Y196-L251 WeakPolarHBondContact O-CA 3.46Å; Y196-N252 PolarHBondContact N-OD1 3.31Å; Y196-N252 PolarHBondContact O-N 2.74Å; Y196-L253 PolarHBondContact O-N 2.87Å
197	A	97.2	Very high	93.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.9	177.5	0	0	0	0	0	112.3	W187 L190 P214 F215 Q216 L253	W187-A197 HydrophobicContact CB-CB 3.57Å; L190-A197 HydrophobicContact CD2-CB 4.22Å; A197-P214 HydrophobicContact CB-CB 4.4Å; A197-F215 WeakPolarHBondContact O-CB 3.29Å; A197-F215 PolarHBondContact O-N 3.49Å; A197-Q216 PolarHBondContact O-N 3.15Å; A197-Q216 VanDerWaalsContact O-N 3.13Å; A197-L253 CarbonylContact C-O 3.52Å; A197-L253 WeakPolarHBondContact CA-O 3.34Å; A197-L253 HydrophobicContact CB-CB 4.42Å
198	G	97.6	Very high	92.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.7	166.6	0	0	0	0	0	111.2	Q216 L253 I254 L255	G198-Q216 CarbonylContact C-O 3.38Å; G198-Q216 VanDerWaalsContact CA-O 3.23Å; G198-Q216 WeakPolarHBondContact CA-O 3.44Å; G198-L253 PolarHBondContact N-O 2.77Å; G198-I254 WeakPolarHBondContact O-CA 3.41Å; G198-L255 PolarHBondContact O-N 3.11Å
199	S	97.9	Very high	92	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.2	169.1	177.9	0	0	0	0	110.9	W202 T205 Q216 R217 V218 L255	S199-W202 VanDerWaalsContact OG-CB 3.26Å; S199-W202 WeakPolarHBondContact OG-CB 3.39Å; S199-W202 PolarHBondContact OG-N 3.42Å; S199-T205 PolarHBondContact OG-OG1 2.89Å; S199-Q216 PolarHBondContact N-O 3.34Å; S199-R217 CarbonylContact O-C 3.49Å; S199-R217 VanDerWaalsContact O-CA 3.24Å; S199-R217 WeakPolarHBondContact O-CA 3.45Å; S199-V218 PolarHBondContact O-N 3.49Å; S199-L255 CarbonylContact C-O 3.54Å; S199-L255 WeakPolarHBondContact CA-O 3.42Å
200	I	97	Very high	91.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	104.2	166.5	-62.8	-173.3	0	0	0	107.6	W202 V218 Y231 R236 D239 I240 W243 L255 Y257	I200-W202 PolarHBondContact O-N 2.93Å; I200-V218 HydrophobicContact CG1-CG2 4.31Å; I200-Y231 HydrophobicContact CG2-CD1 4.21Å; I200-Y231 HydrophobicContact CG2-CE1 3.86Å; I200-R236 WeakPolarHBondContact CD1-O 3.31Å; I200-R236 HydrophobicContact CG2-CB 4.2Å; I200-R236 HydrophobicContact CG2-CG 3.81Å; I200-D239 HydrophobicContact CD1-CB 4.11Å; I200-I240 HydrophobicContact CD1-CD1 4.16Å; I200-I240 HydrophobicContact CD1-CG1 3.53Å; I200-W243 HydrophobicContact CD1-CH2 3.9Å; I200-W243 HydrophobicContact CD1-CZ3 3.9Å; I200-W243 HydrophobicContact CG1-CH2 3.33Å; I200-W243 HydrophobicContact CG1-CZ2 4.32Å; I200-W243 HydrophobicContact CG1-CZ3 3.45Å; I200-W243 VanDerWaalsContact CG1-CZ3 3.45Å; I200-L255 PolarHBondContact N-O 3.22Å; I200-Y257 PolarHBondContact O-N 3.49Å
201	L	94.5	Very high	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	53.6	20	175.6	-50.4	170.5	0	0	0	113.3	V218 Q220 Y221 L224 Y231 R236 Y257	L201-V218 HydrophobicContact CD2-CG1 4.03Å; L201-V218 HydrophobicContact CG-CG1 4.45Å; L201-V218 PolarHBondContact N-O 3.28Å; L201-Q220 HydrophobicContact CD2-CB 3.9Å; L201-Y221 VanDerWaalsContact O-CD2 3.25Å; L201-Y221 WeakPolarHBondContact O-CD2 3.46Å; L201-L224 HydrophobicContact CD1-CD2 3.9Å; L201-Y231 HydrophobicContact CD1-CD1 4.03Å; L201-Y231 HydrophobicContact CD1-CG 4.5Å; L201-R236 VanDerWaalsContact CD1-CZ 3.47Å; L201-Y257 HydrophobicContact CB-CD1 4.37Å; L201-Y257 VanDerWaalsContact O-CB 3.26Å; L201-Y257 WeakPolarHBondContact O-CB 3.25Å
202	W	95.4	Very high	90.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.			trans	-64.5	128.5	175.7	-168.7	-86.6	0	0	0	107.8	L85 H136 L139 I140 S199 I200 L204 T205 L255	L85-W202 HydrophobicContact CD2-CH2 3.34Å; L85-W202 HydrophobicContact CD2-CZ2 3.92Å; L85-W202 HydrophobicContact CD2-CZ3 3.98Å; L85-W202 HydrophobicContact CG-CH2 3.75Å; L85-W202 HydrophobicContact CG-CZ3 3.95Å; H136-W202 HydrophobicContact CB-CZ2 4.46Å; H136-W202 AromaticContact CD2-CH2 3.92Å; H136-W202 AromaticContact CD2-CZ2 3.75Å; L139-W202 HydrophobicContact CB-CH2 4.5Å; L139-W202 HydrophobicContact CB-CZ2 4.15Å; L139-W202 HydrophobicContact CD1-CH2 4.01Å; L139-W202 HydrophobicContact CD1-CZ2 4.23Å; I140-W202 HydrophobicContact CG2-CZ2 3.67Å; S199-W202 VanDerWaalsContact OG-CB 3.26Å; S199-W202 WeakPolarHBondContact OG-CB 3.39Å; S199-W202 PolarHBondContact OG-N 3.42Å; I200-W202 PolarHBondContact O-N 2.93Å; W202-L204 PolarHBondContact O-N 3.17Å; W202-T205 HydrophobicContact CB-CG2 3.92Å; W202-T205 HydrophobicContact CG-CG2 4.27Å; W202-T205 WeakPolarHBondContact O-CG2 3.5Å; W202-T205 PolarHBondContact O-N 3.1Å; W202-T205 PolarHBondContact O-OG1 2.91Å; W202-L255 HydrophobicContact CB-CB 3.83Å; W202-L255 HydrophobicContact CB-CD1 4.49Å; W202-L255 HydrophobicContact CD2-CB 3.71Å; W202-L255 HydrophobicContact CD2-CD1 4.24Å; W202-L255 HydrophobicContact CD2-CD2 4.48Å; W202-L255 HydrophobicContact CD2-CG 4.37Å; W202-L255 HydrophobicContact CE3-CB 3.67Å; W202-L255 HydrophobicContact CG-CB 3.79Å; W202-L255 HydrophobicContact CG-CD1 4.01Å; W202-L255 HydrophobicContact CG-CG 4.47Å; W202-L255 HydrophobicContact CZ3-CB 4.46Å
203	P	90.8	Very high	90.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.013	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	140.9	-175.2	-20.2	25	0	0	0	111.8	L133 H136 T205 Y221 Y257	L133-P203 HydrophobicContact CD2-CB 3.32Å; L133-P203 HydrophobicContact CD2-CG 4.17Å; H136-P203 HydrophobicContact CB-CB 4.48Å; H136-P203 HydrophobicContact CB-CG 4.01Å; P203-T205 PolarHBondContact O-N 3.46Å; P203-Y221 HydrophobicContact CB-CE2 4.02Å; P203-Y221 HydrophobicContact CG-CD2 4.49Å; P203-Y221 HydrophobicContact CG-CE2 3.68Å; P203-Y257 HydrophobicContact CG-CD2 4.29Å; P203-Y257 HydrophobicContact CG-CE2 4.45Å
204	L	87.9	Confident	91	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	35.2	174	-52	150	0	0	0	113	L133 V150 F165 L173 L179 W182 W202	L133-L204 HydrophobicContact CB-CD1 4.19Å; L133-L204 HydrophobicContact CD1-CD1 4.19Å; L133-L204 HydrophobicContact CD1-CD2 4.42Å; L133-L204 HydrophobicContact CD2-CD1 3.73Å; L133-L204 HydrophobicContact CD2-CG 4.07Å; L133-L204 HydrophobicContact CG-CD1 4.28Å; V150-L204 HydrophobicContact CG1-CD1 4.26Å; F165-L204 HydrophobicContact CE1-CD2 4.29Å; F165-L204 HydrophobicContact CE2-CD2 4.35Å; F165-L204 HydrophobicContact CZ-CD2 3.58Å; L173-L204 HydrophobicContact CD2-CD2 4.19Å; L179-L204 HydrophobicContact CD2-CD2 4.19Å; W182-L204 HydrophobicContact CH2-CB 4.41Å; W182-L204 HydrophobicContact CH2-CD1 3.48Å; W182-L204 VanDerWaalsContact CH2-CD1 3.48Å; W182-L204 HydrophobicContact CH2-CD2 3.61Å; W182-L204 HydrophobicContact CH2-CG 3.98Å; W182-L204 HydrophobicContact CZ3-CB 3.97Å; W182-L204 HydrophobicContact CZ3-CD1 3.55Å; W182-L204 HydrophobicContact CZ3-CD2 4.02Å; W182-L204 HydrophobicContact CZ3-CG 4.02Å; W202-L204 PolarHBondContact O-N 3.17Å
205	T	90.7	Very high	91.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.			trans	-114.1	10.5	172.9	61.7	0	0	0	0	113.5	W187 S199 W202 P203 L213 P214	W187-T205 HydrophobicContact CE3-CG2 4.26Å; W187-T205 HydrophobicContact CH2-CG2 3.85Å; W187-T205 HydrophobicContact CZ3-CG2 3.67Å; S199-T205 PolarHBondContact OG-OG1 2.89Å; W202-T205 HydrophobicContact CB-CG2 3.92Å; W202-T205 HydrophobicContact CG-CG2 4.27Å; W202-T205 WeakPolarHBondContact O-CG2 3.5Å; W202-T205 PolarHBondContact O-N 3.1Å; W202-T205 PolarHBondContact O-OG1 2.91Å; P203-T205 PolarHBondContact O-N 3.46Å; T205-L213 WeakPolarHBondContact O-CD2 3.29Å; T205-P214 HydrophobicContact CG2-CG 4.09Å
206	D	85.7	Confident	91.5	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.053	16%	0.158	C	C	.	.	S	Bend	trans	-86.1	-18.4	-178.7	-52.5	-105.3	0	0	0	112.8	Q170 L173 S219	Q170-D206 PolarHBondContact NE2-OD1 2.79Å; L173-D206 HydrophobicContact CB-CB 4.36Å; D206-S219 VanDerWaalsContact OD1-CA 3.27Å; D206-S219 WeakPolarHBondContact OD1-CA 3.47Å; D206-S219 WeakPolarHBondContact OD1-CB 3.33Å
207	Q	84.7	Confident	91.4	Very high	25 Å²	25	33 Å²	33	12%	0.117	16%	0.161	C	C	.	.	S	Bend	trans	-130	150.9	-176.7	175.4	179.6	-1.7	0	0	112.1	L173 N174 A176 L179 L213	L173-Q207 WeakPolarHBondContact O-CB 3.41Å; N174-Q207 VanDerWaalsContact C-OE1 3.23Å; N174-Q207 WeakPolarHBondContact O-CB 3.43Å; N174-Q207 VanDerWaalsContact O-CD 3.28Å; N174-Q207 WeakPolarHBondContact O-CG 3.36Å; N174-Q207 PolarHBondContact O-OE1 2.92Å; A176-Q207 PolarHBondContact O-NE2 3.28Å; A176-Q207 PolarHBondContact O-OE1 3.21Å; L179-Q207 HydrophobicContact CD1-CB 3.66Å; L179-Q207 HydrophobicContact CD1-CG 3.89Å; Q207-L213 WeakPolarHBondContact O-CD2 3.4Å
208	F	85.6	Confident	91.2	Very high	116 Å²	116	33.7 Å²	33.7	51%	0.509	17%	0.166	S	C	.	.			trans	-58.3	135.6	180	-68.5	-83.6	0	0	0	113.1	D211 D212 L213	F208-D211 VanDerWaalsContact CD1-C 3.43Å; F208-D211 WeakPolarHBondContact CD1-O 3.45Å; F208-D212 WeakPolarHBondContact CA-O 3.48Å; F208-L213 HydrophobicContact CD1-CD1 4.04Å; F208-L213 HydrophobicContact CD1-CG 3.73Å; F208-L213 HydrophobicContact CD2-CD1 4.23Å; F208-L213 HydrophobicContact CD2-CG 4.49Å; F208-L213 HydrophobicContact CE1-CB 4.45Å; F208-L213 HydrophobicContact CE1-CD1 3.73Å; F208-L213 HydrophobicContact CE1-CG 3.85Å; F208-L213 HydrophobicContact CE2-CD1 3.91Å; F208-L213 HydrophobicContact CG-CD1 4.3Å; F208-L213 HydrophobicContact CG-CG 4.09Å; F208-L213 HydrophobicContact CZ-CD1 3.66Å; F208-L213 HydrophobicContact CZ-CG 4.28Å
209	V	84.8	Confident	90.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-120.7	124	163.9	-179.1	0	0	0	0	107.1	P185 W187 V188 D211 D212	P185-V209 HydrophobicContact CG-CB 4.41Å; P185-V209 HydrophobicContact CG-CG1 4.3Å; W187-V209 HydrophobicContact CZ2-CB 4.31Å; W187-V209 HydrophobicContact CZ2-CG2 3.99Å; V188-V209 HydrophobicContact CG2-CB 4.5Å; V209-D211 VanDerWaalsContact C-N 3.28Å; V209-D211 PolarHBondContact O-N 3.37Å; V209-D212 PolarHBondContact N-O 2.81Å; V209-D212 PolarHBondContact O-N 3.17Å; V209-D212 VanDerWaalsContact O-N 3.1Å
210	S	83.3	Confident	89.7	Confident	63 Å²	63	39 Å²	39	44%	0.441	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	46.5	-172.8	-56.2	0	0	0	0	113	D212	S210-D212 PolarHBondContact O-N 2.91Å; S210-D212 VanDerWaalsContact O-N 3.11Å
211	D	84.2	Confident	89	Confident	153 Å²	153	39.6 Å²	39.6	82%	0.818	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	19.8	-177.9	-56.8	-43.2	0	0	0	115.3	F208 V209	F208-D211 VanDerWaalsContact CD1-C 3.43Å; F208-D211 WeakPolarHBondContact CD1-O 3.45Å; V209-D211 VanDerWaalsContact C-N 3.28Å; V209-D211 PolarHBondContact O-N 3.37Å
212	D	90.7	Very high	88.4	Confident	43 Å²	43	40.6 Å²	40.6	23%	0.23	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-129.9	155.1	-179.9	-158.5	12.2	0	0	0	114.1	V188 Q191 F208 V209 S210	V188-D212 HydrophobicContact CG1-CB 4.37Å; V188-D212 HydrophobicContact CG2-CB 4.19Å; Q191-D212 WeakPolarHBondContact CB-OD2 3.47Å; Q191-D212 PolarHBondContact NE2-OD1 2.71Å; Q191-D212 PolarHBondContact NE2-OD2 2.93Å; F208-D212 WeakPolarHBondContact CA-O 3.48Å; V209-D212 PolarHBondContact N-O 2.81Å; V209-D212 PolarHBondContact O-N 3.17Å; V209-D212 VanDerWaalsContact O-N 3.1Å; S210-D212 PolarHBondContact O-N 2.91Å; S210-D212 VanDerWaalsContact O-N 3.11Å
213	L	92.5	Very high	87.8	Confident	16 Å²	16	43.8 Å²	43.8	8%	0.084	22%	0.221	C	C	.	.			trans	-134.2	157.1	178.3	-80.8	170.8	0	0	0	109.1	Q191 T205 Q207 F208 F215	Q191-L213 PolarHBondContact NE2-O 3.01Å; T205-L213 WeakPolarHBondContact O-CD2 3.29Å; Q207-L213 WeakPolarHBondContact O-CD2 3.4Å; F208-L213 HydrophobicContact CD1-CD1 4.04Å; F208-L213 HydrophobicContact CD1-CG 3.73Å; F208-L213 HydrophobicContact CD2-CD1 4.23Å; F208-L213 HydrophobicContact CD2-CG 4.49Å; F208-L213 HydrophobicContact CE1-CB 4.45Å; F208-L213 HydrophobicContact CE1-CD1 3.73Å; F208-L213 HydrophobicContact CE1-CG 3.85Å; F208-L213 HydrophobicContact CE2-CD1 3.91Å; F208-L213 HydrophobicContact CG-CD1 4.3Å; F208-L213 HydrophobicContact CG-CG 4.09Å; F208-L213 HydrophobicContact CZ-CD1 3.66Å; F208-L213 HydrophobicContact CZ-CG 4.28Å; L213-F215 PolarHBondContact O-N 3.48Å
214	P	95.3	Very high	87.6	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.019	22%	0.223	C	C	.	.			trans	-52.9	129.5	167	-24.5	35	0	0	0	110.9	W187 A197 T205 Q216	W187-P214 HydrophobicContact CB-CG 4.46Å; W187-P214 HydrophobicContact CD2-CG 4.07Å; W187-P214 HydrophobicContact CG-CG 3.99Å; A197-P214 HydrophobicContact CB-CB 4.4Å; T205-P214 HydrophobicContact CG2-CG 4.09Å; P214-Q216 PolarHBondContact O-N 3.48Å; P214-Q216 VanDerWaalsContact O-N 3.14Å
215	F	95.2	Very high	87.3	Confident	93 Å²	93	47.7 Å²	47.7	41%	0.408	24%	0.242	S	C	.	.	S	Bend	trans	-50.6	-40.1	-175.1	175.7	-97.6	0	0	0	113.1	Q191 Y196 A197 L213 Y249 L251	Q191-F215 VanDerWaalsContact OE1-CB 3.29Å; Y196-F215 HydrophobicContact CD1-CB 3.99Å; Y196-F215 HydrophobicContact CD1-CD1 4.09Å; Y196-F215 AromaticContact CD1-CD2 3.46Å; Y196-F215 HydrophobicContact CD1-CD2 3.46Å; Y196-F215 VanDerWaalsContact CD1-CD2 3.46Å; Y196-F215 HydrophobicContact CD1-CE1 4.47Å; Y196-F215 AromaticContact CD1-CE2 3.89Å; Y196-F215 HydrophobicContact CD1-CE2 3.89Å; Y196-F215 AromaticContact CD1-CG 3.57Å; Y196-F215 HydrophobicContact CD1-CG 3.57Å; Y196-F215 HydrophobicContact CD1-CZ 4.37Å; Y196-F215 AromaticContact CE1-CD2 3.74Å; Y196-F215 HydrophobicContact CE1-CD2 3.74Å; Y196-F215 AromaticContact CE1-CE2 3.78Å; Y196-F215 HydrophobicContact CE1-CE2 3.78Å; Y196-F215 HydrophobicContact CE1-CG 4.3Å; Y196-F215 HydrophobicContact CE1-CZ 4.39Å; Y196-F215 HydrophobicContact CG-CD1 4.29Å; Y196-F215 HydrophobicContact CG-CD2 4.41Å; Y196-F215 HydrophobicContact CG-CG 4.16Å; A197-F215 WeakPolarHBondContact O-CB 3.29Å; A197-F215 PolarHBondContact O-N 3.49Å; L213-F215 PolarHBondContact O-N 3.48Å; F215-Y249 AromaticContact CE1-CD1 3.83Å; F215-Y249 HydrophobicContact CE1-CD1 3.83Å; F215-Y249 AromaticContact CE1-CD2 3.98Å; F215-Y249 HydrophobicContact CE1-CD2 3.98Å; F215-Y249 HydrophobicContact CE1-CE1 4.11Å; F215-Y249 HydrophobicContact CE1-CE2 4.29Å; F215-Y249 AromaticContact CE1-CG 3.74Å; F215-Y249 HydrophobicContact CE1-CG 3.74Å; F215-Y249 HydrophobicContact CZ-CD1 4.3Å; F215-Y249 HydrophobicContact CZ-CG 4.41Å; F215-L251 HydrophobicContact CD1-CD2 3.88Å
216	Q	95	Very high	87	Confident	61 Å²	61	50.6 Å²	50.6	29%	0.285	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.4	172.7	-175.5	67.2	59	0	0	109.1	A197 G198 S199 P214 W243 Y249 L251	A197-Q216 PolarHBondContact O-N 3.15Å; A197-Q216 VanDerWaalsContact O-N 3.13Å; G198-Q216 CarbonylContact C-O 3.38Å; G198-Q216 VanDerWaalsContact CA-O 3.23Å; G198-Q216 WeakPolarHBondContact CA-O 3.44Å; S199-Q216 PolarHBondContact N-O 3.34Å; P214-Q216 PolarHBondContact O-N 3.48Å; P214-Q216 VanDerWaalsContact O-N 3.14Å; Q216-W243 HydrophobicContact CB-CZ2 4.42Å; Q216-W243 HydrophobicContact CG-CD2 4.02Å; Q216-W243 HydrophobicContact CG-CH2 3.98Å; Q216-W243 HydrophobicContact CG-CZ2 3.35Å; Q216-Y249 PolarHBondContact OE1-OH 2.86Å; Q216-Y249 VanDerWaalsContact OE1-OH 3.09Å; Q216-L251 HydrophobicContact CB-CD1 4.24Å
217	R	93.7	Very high	86.8	Confident	106 Å²	106	58.2 Å²	58.2	40%	0.4	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.2	-174.4	64.4	-170.9	-179.4	105.6	-6	114	S199 S219	S199-R217 CarbonylContact O-C 3.49Å; S199-R217 VanDerWaalsContact O-CA 3.24Å; S199-R217 WeakPolarHBondContact O-CA 3.45Å; R217-S219 VanDerWaalsContact NH1-CB 3.3Å; R217-S219 PolarHBondContact NH1-OG 2.81Å
218	V	92.3	Very high	86.9	Confident	16 Å²	16	65.1 Å²	65.1	10%	0.097	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	101.2	161.1	-178	0	0	0	0	106.8	S199 I200 L201 Y231 W243	S199-V218 PolarHBondContact O-N 3.49Å; I200-V218 HydrophobicContact CG1-CG2 4.31Å; L201-V218 HydrophobicContact CD2-CG1 4.03Å; L201-V218 HydrophobicContact CG-CG1 4.45Å; L201-V218 PolarHBondContact N-O 3.28Å; V218-Y231 HydrophobicContact CG1-CD1 4.14Å; V218-Y231 HydrophobicContact CG1-CD2 4.12Å; V218-Y231 HydrophobicContact CG1-CE1 4.09Å; V218-Y231 HydrophobicContact CG1-CE2 4.07Å; V218-Y231 HydrophobicContact CG1-CG 4.15Å; V218-Y231 HydrophobicContact CG2-CE1 4.36Å; V218-W243 HydrophobicContact CG2-CH2 4.3Å; V218-W243 HydrophobicContact CG2-CZ2 4.32Å
219	S	85.1	Confident	86.9	Confident	32 Å²	32	64.9 Å²	64.9	22%	0.224	32%	0.319	C	S	.	.			trans	-106	74.8	-175.3	-67.1	0	0	0	0	109.8	D206 R217	D206-S219 VanDerWaalsContact OD1-CA 3.27Å; D206-S219 WeakPolarHBondContact OD1-CA 3.47Å; D206-S219 WeakPolarHBondContact OD1-CB 3.33Å; R217-S219 VanDerWaalsContact NH1-CB 3.3Å; R217-S219 PolarHBondContact NH1-OG 2.81Å
220	Q	79	Confident	87.2	Confident	79 Å²	79	66.8 Å²	66.8	37%	0.369	33%	0.326	S	S	.	.			trans	-132.7	30.5	-179.5	-69.2	-178.1	-4.8	0	0	110.7	L201 A222 L223	L201-Q220 HydrophobicContact CD2-CB 3.9Å; Q220-A222 VanDerWaalsContact C-N 3.29Å; Q220-A222 PolarHBondContact O-N 3.19Å; Q220-L223 HydrophobicContact CB-CB 4.37Å; Q220-L223 HydrophobicContact CB-CD1 4.02Å; Q220-L223 HydrophobicContact CB-CG 4.29Å; Q220-L223 HydrophobicContact CG-CD1 4.07Å; Q220-L223 WeakPolarHBondContact O-CB 3.28Å; Q220-L223 PolarHBondContact O-N 3.47Å
221	Y	83.5	Confident	87.7	Confident	13 Å²	13	65.2 Å²	65.2	5%	0.051	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.3	-42.4	-172	-169.5	-80.2	0	0	0	112.3	I167 L173 L201 P203 L223 L224 Y257	I167-Y221 HydrophobicContact CD1-CE1 3.67Å; I167-Y221 WeakPolarHBondContact CD1-OH 3.45Å; I167-Y221 HydrophobicContact CG1-CD1 4.31Å; I167-Y221 HydrophobicContact CG1-CE1 3.54Å; L173-Y221 HydrophobicContact CD1-CD1 3.78Å; L173-Y221 HydrophobicContact CD1-CG 4.05Å; L201-Y221 VanDerWaalsContact O-CD2 3.25Å; L201-Y221 WeakPolarHBondContact O-CD2 3.46Å; P203-Y221 HydrophobicContact CB-CE2 4.02Å; P203-Y221 HydrophobicContact CG-CD2 4.49Å; P203-Y221 HydrophobicContact CG-CE2 3.68Å; Y221-L223 PolarHBondContact O-N 2.65Å; Y221-L224 HydrophobicContact CD1-CD1 4.33Å; Y221-L224 HydrophobicContact CD2-CD1 3.87Å; Y221-L224 HydrophobicContact CE1-CD1 4.26Å; Y221-L224 HydrophobicContact CE2-CD1 3.82Å; Y221-L224 HydrophobicContact CG-CD1 4.14Å; Y221-L224 WeakPolarHBondContact O-CB 3.42Å; Y221-L224 WeakPolarHBondContact O-CD1 3.41Å; Y221-L224 WeakPolarHBondContact O-CG 3.4Å; Y221-L224 PolarHBondContact O-N 2.96Å; Y221-Y257 AromaticContact CE2-CD1 3.99Å; Y221-Y257 HydrophobicContact CE2-CD1 3.99Å; Y221-Y257 AromaticContact CE2-CE1 3.81Å; Y221-Y257 HydrophobicContact CE2-CE1 3.81Å; Y221-Y257 PolarHBondContact OH-OH 3.28Å
222	A	80.1	Confident	88.1	Confident	21 Å²	21	60.6 Å²	60.6	17%	0.174	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67.8	-20.6	-179.9	0	0	0	0	0	113.8	Q170 Q220 L224 N225	Q170-A222 HydrophobicContact CB-CB 3.66Å; Q170-A222 HydrophobicContact CG-CB 4.24Å; Q220-A222 VanDerWaalsContact C-N 3.29Å; Q220-A222 PolarHBondContact O-N 3.19Å; A222-L224 PolarHBondContact O-N 3.13Å; A222-N225 PolarHBondContact O-N 3.02Å
223	L	84.4	Confident	88.4	Confident	67 Å²	67	60.5 Å²	60.5	35%	0.351	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-73.7	-8	173.8	-58.5	-174.7	0	0	0	112.3	Q220 Y221 N225 D226	Q220-L223 HydrophobicContact CB-CB 4.37Å; Q220-L223 HydrophobicContact CB-CD1 4.02Å; Q220-L223 HydrophobicContact CB-CG 4.29Å; Q220-L223 HydrophobicContact CG-CD1 4.07Å; Q220-L223 WeakPolarHBondContact O-CB 3.28Å; Q220-L223 PolarHBondContact O-N 3.47Å; Y221-L223 PolarHBondContact O-N 2.65Å; L223-N225 PolarHBondContact O-N 3.29Å; L223-D226 PolarHBondContact O-N 3.45Å
224	L	86.1	Confident	88.6	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.042	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-60.8	-21.5	170.5	-70	174.1	0	0	0	112.4	L201 Y221 A222 R230 Y257 E259	L201-L224 HydrophobicContact CD1-CD2 3.9Å; Y221-L224 HydrophobicContact CD1-CD1 4.33Å; Y221-L224 HydrophobicContact CD2-CD1 3.87Å; Y221-L224 HydrophobicContact CE1-CD1 4.26Å; Y221-L224 HydrophobicContact CE2-CD1 3.82Å; Y221-L224 HydrophobicContact CG-CD1 4.14Å; Y221-L224 WeakPolarHBondContact O-CB 3.42Å; Y221-L224 WeakPolarHBondContact O-CD1 3.41Å; Y221-L224 WeakPolarHBondContact O-CG 3.4Å; Y221-L224 PolarHBondContact O-N 2.96Å; A222-L224 PolarHBondContact O-N 3.13Å; L224-R230 WeakPolarHBondContact O-CD 3.42Å; L224-R230 PolarHBondContact O-NE 2.98Å; L224-R230 PolarHBondContact O-NH2 2.76Å; L224-Y257 HydrophobicContact CD1-CD1 3.96Å; L224-Y257 HydrophobicContact CD1-CE1 3.55Å; L224-E259 HydrophobicContact CD2-CG 4.49Å; L224-E259 WeakPolarHBondContact CD2-OE2 3.23Å
225	N	81.1	Confident	88.6	Confident	77 Å²	77	66 Å²	66	41%	0.412	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-84	-15.5	173.4	-71.8	-33.5	0	0	0	113.2	Y168 A222 L223 Y227	Y168-N225 WeakPolarHBondContact CD1-ND2 3.27Å; A222-N225 PolarHBondContact O-N 3.02Å; L223-N225 PolarHBondContact O-N 3.29Å; N225-Y227 PolarHBondContact O-N 2.82Å
226	D	85.4	Confident	88.7	Confident	61 Å²	61	61.6 Å²	61.6	33%	0.326	30%	0.299	S	S	.	.			trans	-92.9	88.4	-179	-176.9	-12.9	0	0	0	110	L223 E228 H229 R230	L223-D226 PolarHBondContact O-N 3.45Å; D226-E228 PolarHBondContact O-N 3.1Å; D226-E228 PolarHBondContact OD1-N 3Å; D226-H229 HydrophobicContact CB-CB 4.44Å; D226-H229 CarbonylContact O-C 3.53Å; D226-H229 PolarHBondContact O-N 3.37Å; D226-H229 IonicContact OD1-CG 2.67Å; D226-H229 PolarHBondContact OD1-N 2.78Å; D226-H229 IonicContact OD1-ND1 3.48Å; D226-H229 PolarHBondContact OD1-ND1 3.22Å; D226-H229 VanDerWaalsContact OD1-ND1 3.12Å; D226-H229 IonicContact OD2-CE1 3.47Å; D226-H229 IonicContact OD2-CG 2.77Å; D226-H229 IonicContact OD2-ND1 3.55Å; D226-H229 PolarHBondContact OD2-ND1 3Å; D226-R230 WeakPolarHBondContact O-CG 3.38Å; D226-R230 PolarHBondContact O-N 2.65Å
227	Y	81.4	Confident	88.9	Confident	169 Å²	169	59 Å²	59	66%	0.663	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-31.3	-177.1	-70	-87.6	0	0	0	115	N225 R230 E263	N225-Y227 PolarHBondContact O-N 2.82Å; Y227-R230 VanDerWaalsContact CE1-NH1 3.33Å; Y227-R230 VanDerWaalsContact CE2-NH2 3.25Å; Y227-R230 PolarHBondContact OH-NH2 3.39Å; Y227-E263 PolarHBondContact OH-OE2 3.45Å
228	E	86	Confident	89.1	Confident	170 Å²	170	60 Å²	60	79%	0.794	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-27.7	-179.3	-64.2	-175.4	171.4	0	0	112.2	D226	D226-E228 PolarHBondContact O-N 3.1Å; D226-E228 PolarHBondContact OD1-N 3Å
229	H	85.7	Confident	89.3	Confident	112 Å²	112	61 Å²	61	52%	0.519	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	6.5	-173.7	-54.1	100.3	0	0	0	114	D226 Y231	D226-H229 HydrophobicContact CB-CB 4.44Å; D226-H229 CarbonylContact O-C 3.53Å; D226-H229 PolarHBondContact O-N 3.37Å; D226-H229 IonicContact OD1-CG 2.67Å; D226-H229 PolarHBondContact OD1-N 2.78Å; D226-H229 IonicContact OD1-ND1 3.48Å; D226-H229 PolarHBondContact OD1-ND1 3.22Å; D226-H229 VanDerWaalsContact OD1-ND1 3.12Å; D226-H229 IonicContact OD2-CE1 3.47Å; D226-H229 IonicContact OD2-CG 2.77Å; D226-H229 IonicContact OD2-ND1 3.55Å; D226-H229 PolarHBondContact OD2-ND1 3Å; H229-Y231 PolarHBondContact O-N 3.28Å
230	R	91	Very high	89.9	Confident	39 Å²	39	59.5 Å²	59.5	15%	0.147	29%	0.285	C	S	.	.	S	Bend	trans	-57	137.6	175.5	-49.8	-172.1	178.6	-163	-20.7	109.6	L224 D226 Y227 A232 E263	L224-R230 WeakPolarHBondContact O-CD 3.42Å; L224-R230 PolarHBondContact O-NE 2.98Å; L224-R230 PolarHBondContact O-NH2 2.76Å; D226-R230 WeakPolarHBondContact O-CG 3.38Å; D226-R230 PolarHBondContact O-N 2.65Å; Y227-R230 VanDerWaalsContact CE1-NH1 3.33Å; Y227-R230 VanDerWaalsContact CE2-NH2 3.25Å; Y227-R230 PolarHBondContact OH-NH2 3.39Å; R230-A232 PolarHBondContact O-N 2.95Å; R230-E263 IonicContact CZ-OE1 3.87Å; R230-E263 IonicContact CZ-OE2 3.41Å; R230-E263 IonicContact NH1-OE1 2.8Å; R230-E263 PolarHBondContact NH1-OE1 3.14Å; R230-E263 IonicContact NH1-OE2 2.86Å; R230-E263 PolarHBondContact NH1-OE2 2.8Å; R230-E263 IonicContact NH2-OE1 3.91Å; R230-E263 PolarHBondContact NH2-OE1 2.83Å; R230-E263 IonicContact NH2-OE2 3.63Å; R230-E263 PolarHBondContact NH2-OE2 3.35Å; R230-E263 VanDerWaalsContact NH2-OE2 3.16Å
231	Y	93.1	Very high	90.8	Very high	30 Å²	30	56.3 Å²	56.3	12%	0.118	27%	0.27	C	S	.	.			trans	-66.8	108.5	177.6	-174.7	-105.9	0	0	0	110	I200 L201 V218 H229 Q235 R236 D239	I200-Y231 HydrophobicContact CG2-CD1 4.21Å; I200-Y231 HydrophobicContact CG2-CE1 3.86Å; L201-Y231 HydrophobicContact CD1-CD1 4.03Å; L201-Y231 HydrophobicContact CD1-CG 4.5Å; V218-Y231 HydrophobicContact CG1-CD1 4.14Å; V218-Y231 HydrophobicContact CG1-CD2 4.12Å; V218-Y231 HydrophobicContact CG1-CE1 4.09Å; V218-Y231 HydrophobicContact CG1-CE2 4.07Å; V218-Y231 HydrophobicContact CG1-CG 4.15Å; V218-Y231 HydrophobicContact CG2-CE1 4.36Å; H229-Y231 PolarHBondContact O-N 3.28Å; Y231-Q235 HydrophobicContact CD2-CG 4.27Å; Y231-Q235 HydrophobicContact CE1-CG 4.38Å; Y231-Q235 HydrophobicContact CE2-CB 4.25Å; Y231-Q235 HydrophobicContact CE2-CG 3.47Å; Y231-Q235 VanDerWaalsContact CE2-CG 3.47Å; Y231-R236 HydrophobicContact CD1-CB 4.46Å; Y231-R236 HydrophobicContact CD1-CG 3.32Å; Y231-R236 HydrophobicContact CE1-CB 4.09Å; Y231-R236 HydrophobicContact CE1-CG 3.38Å; Y231-R236 VanDerWaalsContact O-CZ 3.27Å; Y231-R236 PolarHBondContact O-NE 3.35Å; Y231-R236 PolarHBondContact O-NH2 2.99Å; Y231-D239 PolarHBondContact OH-OD2 3.06Å
232	A	94.2	Very high	91.4	Very high	56 Å²	56	62.2 Å²	62.2	46%	0.463	29%	0.293	S	S	.	.			trans	-61.5	145.3	-167.1	0	0	0	0	0	113.7	R230 D234 Q235 R236	R230-A232 PolarHBondContact O-N 2.95Å; A232-D234 VanDerWaalsContact C-N 3.34Å; A232-D234 PolarHBondContact O-N 2.61Å; A232-Q235 HydrophobicContact CB-CB 4.36Å; A232-Q235 WeakPolarHBondContact O-CA 3.09Å; A232-Q235 WeakPolarHBondContact O-CB 3.43Å; A232-Q235 PolarHBondContact O-N 3.4Å; A232-R236 WeakPolarHBondContact O-CG 3.29Å; A232-R236 PolarHBondContact O-N 2.73Å
233	Y	96.6	Very high	92.2	Very high	41 Å²	41	61.4 Å²	61.4	16%	0.161	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-44	-179.9	-66.5	-9.5	0	0	0	113	Q235 R236 I237 F258 E260 L282	Y233-Q235 PolarHBondContact O-N 3.18Å; Y233-R236 WeakPolarHBondContact O-CB 3.5Å; Y233-R236 PolarHBondContact O-N 3.42Å; Y233-R236 VanDerWaalsContact O-N 3.14Å; Y233-I237 WeakPolarHBondContact O-CG1 3.22Å; Y233-I237 PolarHBondContact O-N 2.79Å; Y233-F258 AromaticContact CD1-CD1 3.57Å; Y233-F258 HydrophobicContact CD1-CD1 3.57Å; Y233-F258 AromaticContact CD1-CE1 3.8Å; Y233-F258 HydrophobicContact CD1-CE1 3.8Å; Y233-F258 HydrophobicContact CD2-CD1 4.45Å; Y233-F258 AromaticContact CE1-CD1 3.68Å; Y233-F258 HydrophobicContact CE1-CD1 3.68Å; Y233-F258 HydrophobicContact CE1-CE1 4.38Å; Y233-F258 AromaticContact CG-CD1 3.98Å; Y233-F258 HydrophobicContact CG-CD1 3.98Å; Y233-F258 AromaticContact CG-CE1 3.98Å; Y233-F258 HydrophobicContact CG-CE1 3.98Å; Y233-E260 WeakPolarHBondContact OH-CB 3.36Å; Y233-E260 VanDerWaalsContact OH-CG 3.31Å; Y233-E260 WeakPolarHBondContact OH-CG 3.34Å; Y233-L282 HydrophobicContact CE2-CD2 3.98Å
234	D	96.2	Very high	92.7	Very high	73 Å²	73	58.5 Å²	58.5	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-33	175.5	-77.1	-35.5	0	0	0	112.6	A232 R238 H288	A232-D234 VanDerWaalsContact C-N 3.34Å; A232-D234 PolarHBondContact O-N 2.61Å; D234-R238 WeakPolarHBondContact O-CB 3.38Å; D234-R238 VanDerWaalsContact O-CG 3.3Å; D234-R238 WeakPolarHBondContact O-CG 3.4Å; D234-R238 PolarHBondContact O-N 3.22Å; D234-H288 IonicContact OD1-CE1 3.42Å; D234-H288 PolarHBondContact OD1-CE1 2.96Å; D234-H288 IonicContact OD1-ND1 3.8Å; D234-H288 PolarHBondContact OD1-ND1 2.88Å
235	Q	96.3	Very high	92.9	Very high	61 Å²	61	64.1 Å²	64.1	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-41.8	174.5	-171.2	62.8	50.5	0	0	111	Y231 A232 Y233 I237 R238 D239	Y231-Q235 HydrophobicContact CD2-CG 4.27Å; Y231-Q235 HydrophobicContact CE1-CG 4.38Å; Y231-Q235 HydrophobicContact CE2-CB 4.25Å; Y231-Q235 HydrophobicContact CE2-CG 3.47Å; Y231-Q235 VanDerWaalsContact CE2-CG 3.47Å; A232-Q235 HydrophobicContact CB-CB 4.36Å; A232-Q235 WeakPolarHBondContact O-CA 3.09Å; A232-Q235 WeakPolarHBondContact O-CB 3.43Å; A232-Q235 PolarHBondContact O-N 3.4Å; Y233-Q235 PolarHBondContact O-N 3.18Å; Q235-I237 VanDerWaalsContact C-N 3.31Å; Q235-I237 PolarHBondContact O-N 2.94Å; Q235-R238 PolarHBondContact O-N 2.91Å; Q235-D239 PolarHBondContact NE2-OD1 2.91Å; Q235-D239 PolarHBondContact O-N 3.22Å
236	R	97.3	Very high	93.3	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-53.5	-49.4	172.6	-61	177	-160.5	-168.2	15.8	110.8	I200 L201 Y231 A232 Y233 D239 I240 Y257 F258 E259	I200-R236 WeakPolarHBondContact CD1-O 3.31Å; I200-R236 HydrophobicContact CG2-CB 4.2Å; I200-R236 HydrophobicContact CG2-CG 3.81Å; L201-R236 VanDerWaalsContact CD1-CZ 3.47Å; Y231-R236 HydrophobicContact CD1-CB 4.46Å; Y231-R236 HydrophobicContact CD1-CG 3.32Å; Y231-R236 HydrophobicContact CE1-CB 4.09Å; Y231-R236 HydrophobicContact CE1-CG 3.38Å; Y231-R236 VanDerWaalsContact O-CZ 3.27Å; Y231-R236 PolarHBondContact O-NE 3.35Å; Y231-R236 PolarHBondContact O-NH2 2.99Å; A232-R236 WeakPolarHBondContact O-CG 3.29Å; A232-R236 PolarHBondContact O-N 2.73Å; Y233-R236 WeakPolarHBondContact O-CB 3.5Å; Y233-R236 PolarHBondContact O-N 3.42Å; Y233-R236 VanDerWaalsContact O-N 3.14Å; R236-D239 PolarHBondContact O-N 3.21Å; R236-I240 VanDerWaalsContact O-CG1 3.29Å; R236-I240 WeakPolarHBondContact O-CG1 3.31Å; R236-I240 PolarHBondContact O-N 2.98Å; R236-Y257 PolarHBondContact NH1-O 2.92Å; R236-F258 HydrophobicContact CB-CE1 4.31Å; R236-F258 HydrophobicContact CB-CZ 4.04Å; R236-E259 IonicContact CZ-OE2 3.35Å; R236-E259 IonicContact NH1-OE2 2.71Å; R236-E259 PolarHBondContact NH1-OE2 3.36Å; R236-E259 IonicContact NH2-OE1 3.12Å; R236-E259 PolarHBondContact NH2-OE1 2.85Å; R236-E259 IonicContact NH2-OE2 2.96Å; R236-E259 PolarHBondContact NH2-OE2 3.34Å
237	I	98.5	Very high	93.1	Very high	6 Å²	6	64.4 Å²	64.4	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-41.9	179.5	-61.9	-46.2	0	0	0	111.9	Y233 Q235 D239 I240 L241 F258 T285 H288 L289	Y233-I237 WeakPolarHBondContact O-CG1 3.22Å; Y233-I237 PolarHBondContact O-N 2.79Å; Q235-I237 VanDerWaalsContact C-N 3.31Å; Q235-I237 PolarHBondContact O-N 2.94Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 2.81Å; I237-I240 HydrophobicContact CD1-CD1 4.3Å; I237-I240 PolarHBondContact O-N 3.38Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 4.2Å; I237-L241 WeakPolarHBondContact O-CB 3.49Å; I237-L241 WeakPolarHBondContact O-CG 3.24Å; I237-L241 PolarHBondContact O-N 3.26Å; I237-F258 HydrophobicContact CD1-CZ 3.98Å; I237-T285 HydrophobicContact CD1-CG2 4.02Å; I237-T285 HydrophobicContact CG1-CG2 3.62Å; I237-H288 HydrophobicContact CG2-CB 4.05Å; I237-L289 HydrophobicContact CD1-CB 3.97Å; I237-L289 HydrophobicContact CD1-CD1 4.41Å; I237-L289 HydrophobicContact CD1-CD2 4.46Å; I237-L289 HydrophobicContact CG2-CB 4.08Å; I237-L289 HydrophobicContact CG2-CD1 4.47Å
238	R	97.7	Very high	93.3	Very high	129 Å²	129	65.5 Å²	65.5	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-43.7	175.3	-79.6	-169.9	-62.9	-92.8	7.7	112.1	D234 Q235 L241 W242	D234-R238 WeakPolarHBondContact O-CB 3.38Å; D234-R238 VanDerWaalsContact O-CG 3.3Å; D234-R238 WeakPolarHBondContact O-CG 3.4Å; D234-R238 PolarHBondContact O-N 3.22Å; Q235-R238 PolarHBondContact O-N 2.91Å; R238-L241 PolarHBondContact O-N 3.33Å; R238-W242 WeakPolarHBondContact O-CB 3.34Å; R238-W242 PolarHBondContact O-N 2.94Å
239	D	97.1	Very high	93.2	Very high	36 Å²	36	59.3 Å²	59.3	19%	0.193	28%	0.28	C	S	.	.	H	α-helix	trans	-70.4	-42.9	-178.2	-77.7	17.3	0	0	0	111.5	I200 Y231 Q235 R236 I237 L241 W242 W243	I200-D239 HydrophobicContact CD1-CB 4.11Å; Y231-D239 PolarHBondContact OH-OD2 3.06Å; Q235-D239 PolarHBondContact NE2-OD1 2.91Å; Q235-D239 PolarHBondContact O-N 3.22Å; R236-D239 PolarHBondContact O-N 3.21Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 2.81Å; D239-L241 VanDerWaalsContact C-N 3.33Å; D239-L241 PolarHBondContact O-N 3.25Å; D239-W242 PolarHBondContact O-N 3.18Å; D239-W243 HydrophobicContact CB-CZ2 4.39Å; D239-W243 PolarHBondContact O-N 2.95Å
240	I	98.1	Very high	93.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.4	-50.4	172	-67.4	168.7	0	0	0	110.2	L84 I200 R236 I237 W242 W243 L244 I254 A256 L289	L84-I240 HydrophobicContact CD1-CD1 4.46Å; L84-I240 HydrophobicContact CD1-CG2 4.31Å; L84-I240 HydrophobicContact CD2-CG2 4Å; I200-I240 HydrophobicContact CD1-CD1 4.16Å; I200-I240 HydrophobicContact CD1-CG1 3.53Å; R236-I240 VanDerWaalsContact O-CG1 3.29Å; R236-I240 WeakPolarHBondContact O-CG1 3.31Å; R236-I240 PolarHBondContact O-N 2.98Å; I237-I240 HydrophobicContact CD1-CD1 4.3Å; I237-I240 PolarHBondContact O-N 3.38Å; I240-W242 VanDerWaalsContact C-N 3.28Å; I240-W242 PolarHBondContact O-N 3.13Å; I240-W243 PolarHBondContact O-N 3.44Å; I240-L244 HydrophobicContact CG2-CD1 3.81Å; I240-L244 HydrophobicContact CG2-CG 4.24Å; I240-L244 WeakPolarHBondContact O-CB 3.42Å; I240-L244 VanDerWaalsContact O-CG 3.22Å; I240-L244 WeakPolarHBondContact O-CG 3.34Å; I240-L244 PolarHBondContact O-N 2.76Å; I240-I254 HydrophobicContact CG1-CG2 4.3Å; I240-I254 HydrophobicContact CG2-CD1 4.33Å; I240-A256 HydrophobicContact CD1-CB 3.88Å; I240-L289 HydrophobicContact CG2-CD1 3.86Å
241	L	98	Very high	93.7	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-29.9	-179	-70.8	174.3	0	0	0	113.2	I237 R238 D239 L289 I293 R296	I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 4.2Å; I237-L241 WeakPolarHBondContact O-CB 3.49Å; I237-L241 WeakPolarHBondContact O-CG 3.24Å; I237-L241 PolarHBondContact O-N 3.26Å; R238-L241 PolarHBondContact O-N 3.33Å; D239-L241 VanDerWaalsContact C-N 3.33Å; D239-L241 PolarHBondContact O-N 3.25Å; L241-L289 HydrophobicContact CD2-CD1 4.17Å; L241-L289 HydrophobicContact CG-CD1 4.44Å; L241-I293 HydrophobicContact CD2-CG1 3.95Å; L241-R296 PolarHBondContact O-NE 2.94Å
242	W	95.9	Very high	93.8	Very high	138 Å²	138	53 Å²	53	52%	0.523	25%	0.253	S	S	.	.	H	α-helix	trans	-73.1	-44.7	174.2	-177.6	77	0	0	0	111.1	R238 D239 I240 L244 K245 N246 Y249	R238-W242 WeakPolarHBondContact O-CB 3.34Å; R238-W242 PolarHBondContact O-N 2.94Å; D239-W242 PolarHBondContact O-N 3.18Å; I240-W242 VanDerWaalsContact C-N 3.28Å; I240-W242 PolarHBondContact O-N 3.13Å; W242-L244 PolarHBondContact O-N 3.2Å; W242-K245 CarbonylContact O-C 3.59Å; W242-K245 PolarHBondContact O-N 3.1Å; W242-N246 WeakPolarHBondContact CH2-ND2 3.44Å; W242-N246 VanDerWaalsContact CZ2-ND2 3.32Å; W242-N246 WeakPolarHBondContact CZ2-ND2 3.23Å; W242-N246 PolarHBondContact O-N 2.9Å; W242-Y249 VanDerWaalsContact CZ3-OH 3.29Å; W242-Y249 WeakPolarHBondContact CZ3-OH 3.47Å
243	W	95.9	Very high	94	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.011	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-44.2	175.7	-63.8	-16.3	0	0	0	112.6	I200 Q216 V218 D239 I240 K245 N246 L251 I254	I200-W243 HydrophobicContact CD1-CH2 3.9Å; I200-W243 HydrophobicContact CD1-CZ3 3.9Å; I200-W243 HydrophobicContact CG1-CH2 3.33Å; I200-W243 HydrophobicContact CG1-CZ2 4.32Å; I200-W243 HydrophobicContact CG1-CZ3 3.45Å; I200-W243 VanDerWaalsContact CG1-CZ3 3.45Å; Q216-W243 HydrophobicContact CB-CZ2 4.42Å; Q216-W243 HydrophobicContact CG-CD2 4.02Å; Q216-W243 HydrophobicContact CG-CH2 3.98Å; Q216-W243 HydrophobicContact CG-CZ2 3.35Å; V218-W243 HydrophobicContact CG2-CH2 4.3Å; V218-W243 HydrophobicContact CG2-CZ2 4.32Å; D239-W243 HydrophobicContact CB-CZ2 4.39Å; D239-W243 PolarHBondContact O-N 2.95Å; I240-W243 PolarHBondContact O-N 3.44Å; W243-K245 PolarHBondContact O-N 2.88Å; W243-K245 VanDerWaalsContact O-N 3.11Å; W243-N246 WeakPolarHBondContact O-CB 3.46Å; W243-N246 PolarHBondContact O-N 2.97Å; W243-L251 HydrophobicContact CB-CD1 3.62Å; W243-L251 HydrophobicContact CB-CG 4.29Å; W243-L251 HydrophobicContact CD2-CD1 3.78Å; W243-L251 HydrophobicContact CE3-CD1 3.65Å; W243-L251 HydrophobicContact CG-CD1 3.76Å; W243-I254 HydrophobicContact CB-CD1 4.28Å; W243-I254 HydrophobicContact CE3-CD1 4.34Å; W243-I254 HydrophobicContact CE3-CG1 4.45Å; W243-I254 HydrophobicContact CE3-CG2 4.24Å; W243-I254 HydrophobicContact CZ3-CG2 4.31Å
244	L	95.5	Very high	94.1	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.2	178.5	-76.2	175.7	0	0	0	113.9	T82 I240 W242 I254 I293 L298 V302	T82-L244 HydrophobicContact CG2-CD2 3.61Å; I240-L244 HydrophobicContact CG2-CD1 3.81Å; I240-L244 HydrophobicContact CG2-CG 4.24Å; I240-L244 WeakPolarHBondContact O-CB 3.42Å; I240-L244 VanDerWaalsContact O-CG 3.22Å; I240-L244 WeakPolarHBondContact O-CG 3.34Å; I240-L244 PolarHBondContact O-N 2.76Å; W242-L244 PolarHBondContact O-N 3.2Å; L244-I254 HydrophobicContact CD2-CD1 3.82Å; L244-I254 HydrophobicContact CG-CD1 3.95Å; L244-I293 HydrophobicContact CD1-CD1 4.34Å; L244-I293 HydrophobicContact CD1-CG1 4.03Å; L244-L298 HydrophobicContact CB-CD1 3.79Å; L244-V302 HydrophobicContact CD1-CG2 4.3Å; L244-V302 HydrophobicContact CD2-CG2 3.84Å
245	K	90.7	Very high	94.2	Very high	126 Å²	126	44.9 Å²	44.9	55%	0.548	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	11.8	-179.2	-166.8	50.6	178.6	-178.4	0	112.9	W242 W243 L298	W242-K245 CarbonylContact O-C 3.59Å; W242-K245 PolarHBondContact O-N 3.1Å; W243-K245 PolarHBondContact O-N 2.88Å; W243-K245 VanDerWaalsContact O-N 3.11Å; K245-L298 HydrophobicContact CB-CD1 4.48Å
246	N	88.2	Confident	94.3	Very high	19 Å²	19	42 Å²	42	10%	0.102	19%	0.192	C	C	.	.			trans	-62.8	129.3	-173.9	-171.6	-56.9	0	0	0	110.6	W242 W243 K248 Y249	W242-N246 WeakPolarHBondContact CH2-ND2 3.44Å; W242-N246 VanDerWaalsContact CZ2-ND2 3.32Å; W242-N246 WeakPolarHBondContact CZ2-ND2 3.23Å; W242-N246 PolarHBondContact O-N 2.9Å; W243-N246 WeakPolarHBondContact O-CB 3.46Å; W243-N246 PolarHBondContact O-N 2.97Å; N246-K248 VanDerWaalsContact C-N 3.35Å; N246-K248 WeakPolarHBondContact OD1-CA 3.45Å; N246-K248 WeakPolarHBondContact OD1-CB 3.15Å; N246-K248 PolarHBondContact OD1-N 2.88Å; N246-Y249 HydrophobicContact CB-CD2 4.17Å; N246-Y249 HydrophobicContact CB-CE2 3.99Å; N246-Y249 WeakPolarHBondContact CB-O 3.32Å; N246-Y249 WeakPolarHBondContact ND2-CE1 3.29Å; N246-Y249 PolarHBondContact ND2-OH 3.19Å; N246-Y249 VanDerWaalsContact O-O 3.08Å; N246-Y249 PolarHBondContact OD1-N 3.43Å
247	P	81.4	Confident	94.4	Very high	125 Å²	125	42.3 Å²	42.3	81%	0.812	19%	0.193	S	C	*	.	S	Bend	trans	-79.9	-14.8	-176.7	31.1	-35.5	0	0	0	113.8
248	K	85	Confident	94.4	Very high	192 Å²	192	42.1 Å²	42.1	84%	0.835	19%	0.192	S	C	*	.	S	Bend	trans	-94.3	-34.7	-175.9	-64.6	-177.5	176.7	179.5	0	112.7	N246	N246-K248 VanDerWaalsContact C-N 3.35Å; N246-K248 WeakPolarHBondContact OD1-CA 3.45Å; N246-K248 WeakPolarHBondContact OD1-CB 3.15Å; N246-K248 PolarHBondContact OD1-N 2.88Å
249	Y	85.6	Confident	94.3	Very high	39 Å²	39	36.4 Å²	36.4	15%	0.153	17%	0.171	C	C	.	.			trans	-145.3	154.3	-179	55.1	-104.1	0	0	0	110.2	F215 Q216 W242 N246 L251	F215-Y249 AromaticContact CE1-CD1 3.83Å; F215-Y249 HydrophobicContact CE1-CD1 3.83Å; F215-Y249 AromaticContact CE1-CD2 3.98Å; F215-Y249 HydrophobicContact CE1-CD2 3.98Å; F215-Y249 HydrophobicContact CE1-CE1 4.11Å; F215-Y249 HydrophobicContact CE1-CE2 4.29Å; F215-Y249 AromaticContact CE1-CG 3.74Å; F215-Y249 HydrophobicContact CE1-CG 3.74Å; F215-Y249 HydrophobicContact CZ-CD1 4.3Å; F215-Y249 HydrophobicContact CZ-CG 4.41Å; Q216-Y249 PolarHBondContact OE1-OH 2.86Å; Q216-Y249 VanDerWaalsContact OE1-OH 3.09Å; W242-Y249 VanDerWaalsContact CZ3-OH 3.29Å; W242-Y249 WeakPolarHBondContact CZ3-OH 3.47Å; N246-Y249 HydrophobicContact CB-CD2 4.17Å; N246-Y249 HydrophobicContact CB-CE2 3.99Å; N246-Y249 WeakPolarHBondContact CB-O 3.32Å; N246-Y249 WeakPolarHBondContact ND2-CE1 3.29Å; N246-Y249 PolarHBondContact ND2-OH 3.19Å; N246-Y249 VanDerWaalsContact O-O 3.08Å; N246-Y249 PolarHBondContact OD1-N 3.43Å; Y249-L251 HydrophobicContact CD2-CD2 3.82Å; Y249-L251 HydrophobicContact CD2-CG 4.17Å; Y249-L251 HydrophobicContact CE2-CD2 4Å; Y249-L251 HydrophobicContact CE2-CG 4.15Å
250	H	90.8	Very high	94.3	Very high	43 Å²	43	35.7 Å²	35.7	20%	0.199	17%	0.166	C	C	.	.			trans	-116.4	118.9	176	176.5	78	0	0	0	109	H79 K81 T82	H79-H250 PolarHBondContact O-CD2 3.47Å; H79-H250 PolarHBondContact O-NE2 2.72Å; K81-H250 PolarHBondContact O-NE2 3.15Å; T82-H250 PolarHBondContact OG1-CE1 3.02Å; T82-H250 PolarHBondContact OG1-NE2 2.69Å
251	L	95.3	Very high	94.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.			trans	-81.4	120.9	173.8	-57	-170.8	0	0	0	109.6	T82 Y196 F215 Q216 W243 Y249 I254	T82-L251 WeakPolarHBondContact CB-O 3.46Å; T82-L251 VanDerWaalsContact CG2-O 3.29Å; T82-L251 WeakPolarHBondContact CG2-O 3.46Å; T82-L251 PolarHBondContact OG1-O 3.3Å; Y196-L251 CarbonylContact O-C 3.47Å; Y196-L251 WeakPolarHBondContact O-CA 3.46Å; F215-L251 HydrophobicContact CD1-CD2 3.88Å; Q216-L251 HydrophobicContact CB-CD1 4.24Å; W243-L251 HydrophobicContact CB-CD1 3.62Å; W243-L251 HydrophobicContact CB-CG 4.29Å; W243-L251 HydrophobicContact CD2-CD1 3.78Å; W243-L251 HydrophobicContact CE3-CD1 3.65Å; W243-L251 HydrophobicContact CG-CD1 3.76Å; Y249-L251 HydrophobicContact CD2-CD2 3.82Å; Y249-L251 HydrophobicContact CD2-CG 4.17Å; Y249-L251 HydrophobicContact CE2-CD2 4Å; Y249-L251 HydrophobicContact CE2-CG 4.15Å; L251-I254 HydrophobicContact CB-CD1 4.45Å; L251-I254 HydrophobicContact CB-CG1 4.09Å; L251-I254 HydrophobicContact CD1-CD1 4.43Å; L251-I254 HydrophobicContact CD1-CG1 4.15Å
252	N	96.1	Very high	94.4	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.027	17%	0.167	C	C	.	.	S	Bend	trans	-80.8	-31.2	177.2	-56.2	95.1	0	0	0	111.7	T82 V83 L190 G195 Y196 L455	T82-N252 CarbonylContact C-O 3.51Å; T82-N252 VanDerWaalsContact CA-O 3.29Å; T82-N252 WeakPolarHBondContact CA-O 3.5Å; V83-N252 PolarHBondContact N-O 3.18Å; L190-N252 HydrophobicContact CD1-CB 4.06Å; L190-N252 HydrophobicContact CD2-CB 4.02Å; G195-N252 WeakPolarHBondContact CA-OD1 3.29Å; Y196-N252 PolarHBondContact N-OD1 3.31Å; Y196-N252 PolarHBondContact O-N 2.74Å; N252-L455 HydrophobicContact CB-CD2 3.81Å; N252-L455 WeakPolarHBondContact O-CD2 3.48Å
253	L	98.4	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.8	177	175.5	67.1	0	0	0	109.5	V83 I186 L190 Y196 A197 G198 L255 M451 L455	V83-L253 HydrophobicContact CB-CD1 4.27Å; V83-L253 HydrophobicContact CG1-CD1 4.28Å; V83-L253 CarbonylContact O-C 3.53Å; V83-L253 VanDerWaalsContact O-CA 3.31Å; V83-L253 WeakPolarHBondContact O-CA 3.5Å; I186-L253 HydrophobicContact CB-CD2 4.46Å; I186-L253 HydrophobicContact CG1-CD2 4.3Å; I186-L253 HydrophobicContact CG2-CD2 3.53Å; L190-L253 HydrophobicContact CD2-CB 3.47Å; L190-L253 VanDerWaalsContact CD2-CB 3.47Å; L190-L253 HydrophobicContact CD2-CD2 4.41Å; Y196-L253 PolarHBondContact O-N 2.87Å; A197-L253 CarbonylContact C-O 3.52Å; A197-L253 WeakPolarHBondContact CA-O 3.34Å; A197-L253 HydrophobicContact CB-CB 4.42Å; G198-L253 PolarHBondContact N-O 2.77Å; L253-L255 HydrophobicContact CD1-CD2 4Å; L253-L255 HydrophobicContact CD2-CD2 4.12Å; L253-L255 HydrophobicContact CD2-CG 4.22Å; L253-L255 HydrophobicContact CG-CD2 4.15Å; L253-L255 HydrophobicContact CG-CG 4.27Å; L253-M451 HydrophobicContact CD1-SD 4.19Å; L253-L455 HydrophobicContact CB-CD1 4.27Å; L253-L455 HydrophobicContact CB-CD2 4.42Å; L253-L455 HydrophobicContact CD1-CD1 4.48Å
254	I	98.5	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.4	167.1	-59.7	174.2	0	0	0	108	T82 V83 L84 L85 G198 I240 W243 L244 L251	T82-I254 HydrophobicContact CG2-CD1 4.14Å; T82-I254 HydrophobicContact CG2-CG1 4.13Å; V83-I254 PolarHBondContact O-N 2.92Å; L84-I254 WeakPolarHBondContact CA-O 3.21Å; L84-I254 HydrophobicContact CD1-CB 3.65Å; L84-I254 HydrophobicContact CD1-CG2 3.57Å; L85-I254 PolarHBondContact N-O 2.89Å; G198-I254 WeakPolarHBondContact O-CA 3.41Å; I240-I254 HydrophobicContact CG1-CG2 4.3Å; I240-I254 HydrophobicContact CG2-CD1 4.33Å; W243-I254 HydrophobicContact CB-CD1 4.28Å; W243-I254 HydrophobicContact CE3-CD1 4.34Å; W243-I254 HydrophobicContact CE3-CG1 4.45Å; W243-I254 HydrophobicContact CE3-CG2 4.24Å; W243-I254 HydrophobicContact CZ3-CG2 4.31Å; L244-I254 HydrophobicContact CD2-CD1 3.82Å; L244-I254 HydrophobicContact CG-CD1 3.95Å; L251-I254 HydrophobicContact CB-CD1 4.45Å; L251-I254 HydrophobicContact CB-CG1 4.09Å; L251-I254 HydrophobicContact CD1-CD1 4.43Å; L251-I254 HydrophobicContact CD1-CG1 4.15Å
255	L	98.7	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.2	172.7	-58.9	179.7	0	0	0	108.2	L85 I140 W187 G198 S199 I200 W202 L253	L85-L255 HydrophobicContact CB-CD2 4.03Å; L85-L255 HydrophobicContact CD2-CD2 3.98Å; I140-L255 HydrophobicContact CG2-CD1 4.03Å; I140-L255 HydrophobicContact CG2-CD2 4.07Å; W187-L255 HydrophobicContact CE3-CD1 4.04Å; G198-L255 PolarHBondContact O-N 3.11Å; S199-L255 CarbonylContact C-O 3.54Å; S199-L255 WeakPolarHBondContact CA-O 3.42Å; I200-L255 PolarHBondContact N-O 3.22Å; W202-L255 HydrophobicContact CB-CB 3.83Å; W202-L255 HydrophobicContact CB-CD1 4.49Å; W202-L255 HydrophobicContact CD2-CB 3.71Å; W202-L255 HydrophobicContact CD2-CD1 4.24Å; W202-L255 HydrophobicContact CD2-CD2 4.48Å; W202-L255 HydrophobicContact CD2-CG 4.37Å; W202-L255 HydrophobicContact CE3-CB 3.67Å; W202-L255 HydrophobicContact CG-CB 3.79Å; W202-L255 HydrophobicContact CG-CD1 4.01Å; W202-L255 HydrophobicContact CG-CG 4.47Å; W202-L255 HydrophobicContact CZ3-CB 4.46Å; L253-L255 HydrophobicContact CD1-CD2 4Å; L253-L255 HydrophobicContact CD2-CD2 4.12Å; L253-L255 HydrophobicContact CD2-CG 4.22Å; L253-L255 HydrophobicContact CG-CD2 4.15Å; L253-L255 HydrophobicContact CG-CG 4.27Å
256	A	98.5	Very high	95	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.3	-179.2	0	0	0	0	0	111	L85 I86 S87 I240 F258	L85-A256 PolarHBondContact O-N 3.47Å; I86-A256 CarbonylContact C-O 3.46Å; I86-A256 WeakPolarHBondContact CA-O 3.37Å; I86-A256 HydrophobicContact CG1-CB 4.31Å; S87-A256 PolarHBondContact N-O 2.87Å; I240-A256 HydrophobicContact CD1-CB 3.88Å; A256-F258 HydrophobicContact CB-CE2 4.34Å
257	Y	98	Very high	95.4	Very high	8 Å²	8	29.8 Å²	29.8	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.8	-179	174.4	-95.8	0	0	0	111.2	S87 D89 T132 H136 I200 L201 P203 Y221 L224 R236 E259	S87-Y257 CarbonylContact O-C 3.55Å; D89-Y257 HydrophobicContact CB-CE2 3.79Å; D89-Y257 WeakPolarHBondContact OD2-CE2 3.3Å; D89-Y257 VanDerWaalsContact OD2-CZ 3.32Å; D89-Y257 PolarHBondContact OD2-OH 2.89Å; T132-Y257 HydrophobicContact CG2-CE2 4.41Å; H136-Y257 AromaticContact CE1-CD2 3.81Å; H136-Y257 AromaticContact CE1-CE2 3.52Å; H136-Y257 AromaticContact NE2-CD2 3.32Å; H136-Y257 VanDerWaalsContact NE2-CD2 3.32Å; H136-Y257 WeakPolarHBondContact NE2-CD2 3.34Å; H136-Y257 AromaticContact NE2-CE2 3.55Å; I200-Y257 PolarHBondContact O-N 3.49Å; L201-Y257 HydrophobicContact CB-CD1 4.37Å; L201-Y257 VanDerWaalsContact O-CB 3.26Å; L201-Y257 WeakPolarHBondContact O-CB 3.25Å; P203-Y257 HydrophobicContact CG-CD2 4.29Å; P203-Y257 HydrophobicContact CG-CE2 4.45Å; Y221-Y257 AromaticContact CE2-CD1 3.99Å; Y221-Y257 HydrophobicContact CE2-CD1 3.99Å; Y221-Y257 AromaticContact CE2-CE1 3.81Å; Y221-Y257 HydrophobicContact CE2-CE1 3.81Å; Y221-Y257 PolarHBondContact OH-OH 3.28Å; L224-Y257 HydrophobicContact CD1-CD1 3.96Å; L224-Y257 HydrophobicContact CD1-CE1 3.55Å; R236-Y257 PolarHBondContact NH1-O 2.92Å; Y257-E259 HydrophobicContact CE1-CB 4.01Å
258	F	98	Very high	96.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.5	173.7	-66.3	-101	0	0	0	108.2	I86 S87 M88 D89 Y233 R236 I237 A256 E260 T285	I86-F258 HydrophobicContact CG2-CD2 3.75Å; I86-F258 HydrophobicContact CG2-CE2 3.77Å; S87-F258 PolarHBondContact O-N 3.33Å; M88-F258 CarbonylContact C-O 3.54Å; M88-F258 HydrophobicContact CG-CB 4.25Å; D89-F258 WeakPolarHBondContact CB-O 3.43Å; D89-F258 PolarHBondContact N-O 3.33Å; Y233-F258 AromaticContact CD1-CD1 3.57Å; Y233-F258 HydrophobicContact CD1-CD1 3.57Å; Y233-F258 AromaticContact CD1-CE1 3.8Å; Y233-F258 HydrophobicContact CD1-CE1 3.8Å; Y233-F258 HydrophobicContact CD2-CD1 4.45Å; Y233-F258 AromaticContact CE1-CD1 3.68Å; Y233-F258 HydrophobicContact CE1-CD1 3.68Å; Y233-F258 HydrophobicContact CE1-CE1 4.38Å; Y233-F258 AromaticContact CG-CD1 3.98Å; Y233-F258 HydrophobicContact CG-CD1 3.98Å; Y233-F258 AromaticContact CG-CE1 3.98Å; Y233-F258 HydrophobicContact CG-CE1 3.98Å; R236-F258 HydrophobicContact CB-CE1 4.31Å; R236-F258 HydrophobicContact CB-CZ 4.04Å; I237-F258 HydrophobicContact CD1-CZ 3.98Å; A256-F258 HydrophobicContact CB-CE2 4.34Å; F258-E260 VanDerWaalsContact C-N 3.33Å; F258-E260 PolarHBondContact O-N 2.85Å; F258-T285 HydrophobicContact CE1-CG2 3.96Å; F258-T285 HydrophobicContact CZ-CG2 4.41Å
259	E	96.3	Very high	96.9	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.042	10%	0.099	C	C	.	.			trans	-78.8	-12.9	-172.4	61.2	-85.7	-157.6	0	0	114.1	L224 R236 Y257 D262	L224-E259 HydrophobicContact CD2-CG 4.49Å; L224-E259 WeakPolarHBondContact CD2-OE2 3.23Å; R236-E259 IonicContact CZ-OE2 3.35Å; R236-E259 IonicContact NH1-OE2 2.71Å; R236-E259 PolarHBondContact NH1-OE2 3.36Å; R236-E259 IonicContact NH2-OE1 3.12Å; R236-E259 PolarHBondContact NH2-OE1 2.85Å; R236-E259 IonicContact NH2-OE2 2.96Å; R236-E259 PolarHBondContact NH2-OE2 3.34Å; Y257-E259 HydrophobicContact CE1-CB 4.01Å; E259-D262 WeakPolarHBondContact O-CB 3.4Å; E259-D262 PolarHBondContact O-N 3.03Å
260	E	98.1	Very high	97.5	Very high	22 Å²	22	18.8 Å²	18.8	10%	0.103	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	152.2	179.3	-73	-76.9	-156.9	0	0	111.1	D89 Y233 F258 T264 V278 L282	D89-E260 CarbonylContact O-C 3.56Å; Y233-E260 WeakPolarHBondContact OH-CB 3.36Å; Y233-E260 VanDerWaalsContact OH-CG 3.31Å; Y233-E260 WeakPolarHBondContact OH-CG 3.34Å; F258-E260 VanDerWaalsContact C-N 3.33Å; F258-E260 PolarHBondContact O-N 2.85Å; E260-T264 VanDerWaalsContact CD-OG1 3.24Å; E260-T264 PolarHBondContact OE1-OG1 3.12Å; E260-T264 WeakPolarHBondContact OE2-CB 3.25Å; E260-T264 PolarHBondContact OE2-N 3.36Å; E260-T264 PolarHBondContact OE2-OG1 3.09Å; E260-V278 HydrophobicContact CB-CG2 3.79Å; E260-V278 HydrophobicContact CG-CG2 3.76Å; E260-L282 HydrophobicContact CB-CD1 4.32Å; E260-L282 WeakPolarHBondContact O-CD1 3.48Å
261	P	98.5	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.9	13.8	9.6	35.7	-39.6	0	0	0	116.9	D89 F91 Y95 T264 G265 V275 V278 V279	D89-P261 VanDerWaalsContact O-CD 3.23Å; D89-P261 WeakPolarHBondContact O-CD 3.21Å; F91-P261 HydrophobicContact CB-CG 4.04Å; F91-P261 HydrophobicContact CD2-CG 4.06Å; F91-P261 HydrophobicContact CG-CG 4.12Å; Y95-P261 HydrophobicContact CD2-CB 4.46Å; Y95-P261 HydrophobicContact CD2-CG 3.58Å; Y95-P261 HydrophobicContact CE2-CB 4.2Å; Y95-P261 HydrophobicContact CE2-CG 3.47Å; Y95-P261 VanDerWaalsContact CE2-CG 3.47Å; P261-T264 PolarHBondContact O-N 3.49Å; P261-G265 PolarHBondContact O-N 2.75Å; P261-V275 HydrophobicContact CB-CG1 4.25Å; P261-V278 HydrophobicContact CB-CG1 3.61Å; P261-V279 HydrophobicContact CB-CG2 4.34Å; P261-V279 HydrophobicContact CG-CG2 4.43Å
262	D	98.5	Very high	98	Very high	16 Å²	16	21.1 Å²	21.1	9%	0.086	11%	0.108	C	C	.	.	H	α-helix	trans	-57.4	-53.8	-174	-169	69.9	0	0	0	113.7	D89 E259 T264 G265 H266 H310 M312 H413	D89-D262 HydrophobicContact CB-CB 3.95Å; D89-D262 PolarHBondContact O-N 3.41Å; D89-D262 VanDerWaalsContact O-N 3.13Å; E259-D262 WeakPolarHBondContact O-CB 3.4Å; E259-D262 PolarHBondContact O-N 3.03Å; D262-T264 VanDerWaalsContact C-N 3.35Å; D262-T264 PolarHBondContact O-N 3.17Å; D262-G265 CarbonylContact O-C 3.52Å; D262-G265 WeakPolarHBondContact O-CA 3.41Å; D262-G265 PolarHBondContact O-N 3.29Å; D262-H266 PolarHBondContact O-N 3.34Å; D262-H266 IonicContact OD2-CD2 2.66Å; D262-H266 PolarHBondContact OD2-CD2 2.85Å; D262-H266 IonicContact OD2-NE2 3.89Å; D262-H266 PolarHBondContact OD2-NE2 2.99Å; D262-H310 IonicContact OD1-CE1 3.66Å; D262-H310 PolarHBondContact OD1-CE1 3.17Å; D262-M312 WeakPolarHBondContact OD1-CE 3.35Å; D262-H413 IonicContact OD1-CD2 3Å; D262-H413 IonicContact OD1-NE2 3.02Å
263	E	96.9	Very high	98.1	Very high	35 Å²	35	28 Å²	28	16%	0.164	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-44.8	-179.2	-68.4	-168.7	165.8	0	0	112.2	Y227 R230 G265 H266 S267	Y227-E263 PolarHBondContact OH-OE2 3.45Å; R230-E263 IonicContact CZ-OE1 3.87Å; R230-E263 IonicContact CZ-OE2 3.41Å; R230-E263 IonicContact NH1-OE1 2.8Å; R230-E263 PolarHBondContact NH1-OE1 3.14Å; R230-E263 IonicContact NH1-OE2 2.86Å; R230-E263 PolarHBondContact NH1-OE2 2.8Å; R230-E263 IonicContact NH2-OE1 3.91Å; R230-E263 PolarHBondContact NH2-OE1 2.83Å; R230-E263 IonicContact NH2-OE2 3.63Å; R230-E263 PolarHBondContact NH2-OE2 3.35Å; R230-E263 VanDerWaalsContact NH2-OE2 3.16Å; E263-G265 VanDerWaalsContact C-N 3.33Å; E263-H266 PolarHBondContact O-N 3.27Å; E263-S267 PolarHBondContact O-N 2.86Å; E263-S267 VanDerWaalsContact O-N 3.11Å; E263-S267 PolarHBondContact O-OG 2.82Å
264	T	98.3	Very high	98.1	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.11	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-38.7	176	-68	0	0	0	0	111	E260 P261 D262 S267 Y268 H274 V275 V278	E260-T264 VanDerWaalsContact CD-OG1 3.24Å; E260-T264 PolarHBondContact OE1-OG1 3.12Å; E260-T264 WeakPolarHBondContact OE2-CB 3.25Å; E260-T264 PolarHBondContact OE2-N 3.36Å; E260-T264 PolarHBondContact OE2-OG1 3.09Å; P261-T264 PolarHBondContact O-N 3.49Å; D262-T264 VanDerWaalsContact C-N 3.35Å; D262-T264 PolarHBondContact O-N 3.17Å; T264-S267 PolarHBondContact O-N 2.96Å; T264-Y268 HydrophobicContact CG2-CD2 3.97Å; T264-Y268 PolarHBondContact O-N 3.01Å; T264-H274 HydrophobicContact CG2-CB 3.72Å; T264-V275 HydrophobicContact CG2-CB 4.49Å; T264-V275 HydrophobicContact CG2-CG2 3.87Å; T264-V278 HydrophobicContact CG2-CG1 4.17Å
265	G	98.5	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-45.3	175.9	0	0	0	0	0	112.5	P261 D262 E263 G269 G411	P261-G265 PolarHBondContact O-N 2.75Å; D262-G265 CarbonylContact O-C 3.52Å; D262-G265 WeakPolarHBondContact O-CA 3.41Å; D262-G265 PolarHBondContact O-N 3.29Å; E263-G265 VanDerWaalsContact C-N 3.33Å; G265-G269 CarbonylContact O-C 3.49Å; G265-G269 WeakPolarHBondContact O-CA 3.39Å; G265-G269 PolarHBondContact O-N 2.85Å; G265-G411 VanDerWaalsContact O-CA 3.3Å; G265-G411 WeakPolarHBondContact O-CA 3.23Å; G265-G411 PolarHBondContact O-N 3.19Å
266	H	97.6	Very high	98.1	Very high	41 Å²	41	32.9 Å²	32.9	19%	0.19	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-47.1	173.4	-84.7	-58.3	0	0	0	112.3	D262 E263 V409 S410 G411 D412 H413	D262-H266 PolarHBondContact O-N 3.34Å; D262-H266 IonicContact OD2-CD2 2.66Å; D262-H266 PolarHBondContact OD2-CD2 2.85Å; D262-H266 IonicContact OD2-NE2 3.89Å; D262-H266 PolarHBondContact OD2-NE2 2.99Å; E263-H266 PolarHBondContact O-N 3.27Å; H266-V409 WeakPolarHBondContact O-CB 3.39Å; H266-S410 PolarHBondContact O-N 3.07Å; H266-G411 PolarHBondContact ND1-O 3.07Å; H266-G411 PolarHBondContact O-N 3.1Å; H266-G411 VanDerWaalsContact O-N 3.11Å; H266-D412 IonicContact CE1-OD1 3.07Å; H266-D412 PolarHBondContact CE1-OD1 3.34Å; H266-H413 AromaticContact CE1-CD2 3.46Å; H266-H413 PolarHBondContact CE1-CD2 3.42Å; H266-H413 VanDerWaalsContact CE1-CD2 3.46Å; H266-H413 AromaticContact CE1-NE2 3.68Å; H266-H413 AromaticContact NE2-CD2 3.35Å; H266-H413 PolarHBondContact NE2-CD2 3.43Å; H266-H413 VanDerWaalsContact NE2-CD2 3.35Å; H266-H413 AromaticContact NE2-NE2 3.21Å; H266-H413 PolarHBondContact NE2-NE2 3.07Å
267	S	97.2	Very high	98.1	Very high	70 Å²	70	37.9 Å²	37.9	49%	0.49	18%	0.183	S	C	.	.	H	α-helix	trans	-69.9	-46.8	-173.9	-61.2	0	0	0	0	112.7	E263 T264 S410	E263-S267 PolarHBondContact O-N 2.86Å; E263-S267 VanDerWaalsContact O-N 3.11Å; E263-S267 PolarHBondContact O-OG 2.82Å; T264-S267 PolarHBondContact O-N 2.96Å; S267-S410 PolarHBondContact O-OG 3.03Å
268	Y	97.9	Very high	98.1	Very high	123 Å²	123	38.5 Å²	38.5	48%	0.482	19%	0.188	S	C	.	.	H	α-helix	trans	-113.3	-8.6	-168.4	-61.5	-77.8	0	0	0	114.8	T264 S272 H274	T264-Y268 HydrophobicContact CG2-CD2 3.97Å; T264-Y268 PolarHBondContact O-N 3.01Å; Y268-S272 WeakPolarHBondContact CB-OG 3.48Å; Y268-S272 WeakPolarHBondContact O-CB 3.34Å; Y268-H274 HydrophobicContact CD1-CB 4.4Å; Y268-H274 AromaticContact CD1-CE1 3.54Å; Y268-H274 AromaticContact CD1-CG 3.76Å; Y268-H274 AromaticContact CD1-ND1 3.3Å; Y268-H274 VanDerWaalsContact CD1-ND1 3.3Å; Y268-H274 WeakPolarHBondContact CD1-ND1 3.45Å; Y268-H274 HydrophobicContact CD2-CB 3.66Å; Y268-H274 AromaticContact CD2-CG 3.8Å; Y268-H274 AromaticContact CE1-CE1 3.64Å; Y268-H274 AromaticContact CE1-ND1 3.81Å; Y268-H274 AromaticContact CE1-NE2 3.8Å; Y268-H274 HydrophobicContact CE2-CB 4.22Å; Y268-H274 HydrophobicContact CG-CB 3.75Å; Y268-H274 AromaticContact CG-CG 3.61Å; Y268-H274 AromaticContact CG-ND1 3.49Å; Y268-H274 AromaticContact CZ-CD2 3.99Å
269	G	98.2	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.			trans	90.7	148.1	-176.2	0	0	0	0	0	112	G265 N271 S272 V275 S410	G265-G269 CarbonylContact O-C 3.49Å; G265-G269 WeakPolarHBondContact O-CA 3.39Å; G265-G269 PolarHBondContact O-N 2.85Å; G269-N271 PolarHBondContact O-N 3.12Å; G269-N271 VanDerWaalsContact O-N 3.15Å; G269-S272 WeakPolarHBondContact O-CB 3.43Å; G269-S272 PolarHBondContact O-N 3.2Å; G269-S272 PolarHBondContact O-OG 3.33Å; G269-V275 WeakPolarHBondContact O-CG2 3.49Å; G269-S410 VanDerWaalsContact N-CB 3.35Å
270	P	98.2	Very high	98.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.013	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.1	-172.3	24.2	-36.5	0	0	0	114.5	Y95 M312 E314	Y95-P270 HydrophobicContact CE1-CB 3.98Å; Y95-P270 VanDerWaalsContact CE1-O 3.26Å; Y95-P270 WeakPolarHBondContact CE1-O 3.27Å; Y95-P270 WeakPolarHBondContact OH-CA 3.17Å; Y95-P270 VanDerWaalsContact OH-CB 3.24Å; Y95-P270 WeakPolarHBondContact OH-CB 3.28Å; P270-M312 HydrophobicContact CB-CB 4.09Å; P270-M312 HydrophobicContact CB-CG 3.84Å; P270-M312 HydrophobicContact CG-CG 4.29Å; P270-E314 WeakPolarHBondContact CD-OE2 3.23Å; P270-E314 HydrophobicContact CG-CB 4.21Å
271	N	98.2	Very high	98.3	Very high	72 Å²	72	41.1 Å²	41.1	39%	0.385	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.5	-176.2	-51.6	-58.4	0	0	0	112.8	R92 H102 G269	R92-N271 PolarHBondContact NH2-OD1 3.36Å; R92-N271 VanDerWaalsContact NH2-OD1 3.14Å; H102-N271 PolarHBondContact CE1-O 3.49Å; H102-N271 PolarHBondContact NE2-O 2.94Å; G269-N271 PolarHBondContact O-N 3.12Å; G269-N271 VanDerWaalsContact O-N 3.15Å
272	S	98.3	Very high	98.3	Very high	21 Å²	21	41.1 Å²	41.1	15%	0.147	20%	0.203	C	C	.	.	S	Bend	trans	-79.7	155.3	-173.5	70.5	0	0	0	0	113.5	Y268 G269 H274 V275 A276	Y268-S272 WeakPolarHBondContact CB-OG 3.48Å; Y268-S272 WeakPolarHBondContact O-CB 3.34Å; G269-S272 WeakPolarHBondContact O-CB 3.43Å; G269-S272 PolarHBondContact O-N 3.2Å; G269-S272 PolarHBondContact O-OG 3.33Å; S272-H274 PolarHBondContact O-N 2.83Å; S272-V275 PolarHBondContact O-N 2.96Å; S272-V275 PolarHBondContact OG-N 2.84Å; S272-A276 PolarHBondContact O-N 2.88Å
273	K	98.5	Very high	98.4	Very high	148 Å²	148	40.4 Å²	40.4	64%	0.643	20%	0.2	S	C	*	.	H	α-helix	trans	-61	-24.9	169.1	-74.3	-177.2	179.1	-176	0	113	H102 A276 K277	H102-K273 HydrophobicContact CB-CG 4.49Å; H102-K273 WeakPolarHBondContact CD2-CG 3.29Å; K273-A276 PolarHBondContact O-N 2.81Å; K273-K277 PolarHBondContact O-N 3.12Å
274	H	98.7	Very high	98.4	Very high	97 Å²	97	43.3 Å²	43.3	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-47.1	175.7	-61.6	96.3	0	0	0	110.6	T264 Y268 S272 A276 K277 V278	T264-H274 HydrophobicContact CG2-CB 3.72Å; Y268-H274 HydrophobicContact CD1-CB 4.4Å; Y268-H274 AromaticContact CD1-CE1 3.54Å; Y268-H274 AromaticContact CD1-CG 3.76Å; Y268-H274 AromaticContact CD1-ND1 3.3Å; Y268-H274 VanDerWaalsContact CD1-ND1 3.3Å; Y268-H274 WeakPolarHBondContact CD1-ND1 3.45Å; Y268-H274 HydrophobicContact CD2-CB 3.66Å; Y268-H274 AromaticContact CD2-CG 3.8Å; Y268-H274 AromaticContact CE1-CE1 3.64Å; Y268-H274 AromaticContact CE1-ND1 3.81Å; Y268-H274 AromaticContact CE1-NE2 3.8Å; Y268-H274 HydrophobicContact CE2-CB 4.22Å; Y268-H274 HydrophobicContact CG-CB 3.75Å; Y268-H274 AromaticContact CG-CG 3.61Å; Y268-H274 AromaticContact CG-ND1 3.49Å; Y268-H274 AromaticContact CZ-CD2 3.99Å; S272-H274 PolarHBondContact O-N 2.83Å; H274-A276 VanDerWaalsContact C-N 3.31Å; H274-A276 PolarHBondContact O-N 3.22Å; H274-K277 PolarHBondContact O-N 2.99Å; H274-K277 VanDerWaalsContact O-N 3.1Å; H274-V278 PolarHBondContact O-N 3.05Å
275	V	98.8	Very high	98.5	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-45.4	173.1	171.6	0	0	0	0	110.4	Y95 P261 T264 G269 S272 K277 V278 V279	Y95-V275 HydrophobicContact CD1-CG1 4.31Å; Y95-V275 HydrophobicContact CD2-CG1 4.22Å; Y95-V275 HydrophobicContact CE1-CG1 4.08Å; Y95-V275 HydrophobicContact CE2-CG1 4.01Å; Y95-V275 HydrophobicContact CG-CG1 4.35Å; P261-V275 HydrophobicContact CB-CG1 4.25Å; T264-V275 HydrophobicContact CG2-CB 4.49Å; T264-V275 HydrophobicContact CG2-CG2 3.87Å; G269-V275 WeakPolarHBondContact O-CG2 3.49Å; S272-V275 PolarHBondContact O-N 2.96Å; S272-V275 PolarHBondContact OG-N 2.84Å; V275-K277 VanDerWaalsContact C-N 3.27Å; V275-K277 PolarHBondContact O-N 3.1Å; V275-V278 WeakPolarHBondContact O-CG1 3.32Å; V275-V278 PolarHBondContact O-N 3.36Å; V275-V279 HydrophobicContact CG1-CG2 4.3Å; V275-V279 VanDerWaalsContact O-CG2 3.3Å; V275-V279 WeakPolarHBondContact O-CG2 3.21Å; V275-V279 PolarHBondContact O-N 2.84Å
276	A	98.8	Very high	98.5	Very high	2 Å²	2	43 Å²	43	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-56.7	-40.9	176.4	0	0	0	0	0	112.8	A99 H102 L103 S272 K273 H274 Q280	A99-A276 HydrophobicContact CB-CB 4.06Å; H102-A276 HydrophobicContact CB-CB 3.68Å; L103-A276 HydrophobicContact CD1-CB 4.12Å; L103-A276 VanDerWaalsContact CD1-O 3.28Å; L103-A276 WeakPolarHBondContact CD1-O 3.14Å; L103-A276 HydrophobicContact CG-CB 4.09Å; S272-A276 PolarHBondContact O-N 2.88Å; K273-A276 PolarHBondContact O-N 2.81Å; H274-A276 VanDerWaalsContact C-N 3.31Å; H274-A276 PolarHBondContact O-N 3.22Å; A276-Q280 PolarHBondContact O-N 3.41Å; A276-Q280 VanDerWaalsContact O-N 3.14Å
277	K	98.8	Very high	98.5	Very high	106 Å²	106	41.3 Å²	41.3	46%	0.461	20%	0.204	S	C	.	.	H	α-helix	trans	-70.5	-40	-180	-175.5	60.4	-172.9	171.6	0	112.6	K273 H274 V275 V279 Q280 T281	K273-K277 PolarHBondContact O-N 3.12Å; H274-K277 PolarHBondContact O-N 2.99Å; H274-K277 VanDerWaalsContact O-N 3.1Å; V275-K277 VanDerWaalsContact C-N 3.27Å; V275-K277 PolarHBondContact O-N 3.1Å; K277-V279 VanDerWaalsContact C-N 3.34Å; K277-Q280 WeakPolarHBondContact O-CB 3.42Å; K277-Q280 PolarHBondContact O-N 2.89Å; K277-T281 PolarHBondContact O-N 3.49Å; K277-T281 VanDerWaalsContact O-N 3.14Å; K277-T281 PolarHBondContact O-OG1 3.37Å
278	V	98.6	Very high	98.6	Very high	21 Å²	21	42.5 Å²	42.5	13%	0.127	20%	0.202	C	C	.	.	H	α-helix	trans	-69.5	-34.6	176.6	81.8	0	0	0	0	111.5	E260 P261 T264 H274 V275 Q280 T281 L282	E260-V278 HydrophobicContact CB-CG2 3.79Å; E260-V278 HydrophobicContact CG-CG2 3.76Å; P261-V278 HydrophobicContact CB-CG1 3.61Å; T264-V278 HydrophobicContact CG2-CG1 4.17Å; H274-V278 PolarHBondContact O-N 3.05Å; V275-V278 WeakPolarHBondContact O-CG1 3.32Å; V275-V278 PolarHBondContact O-N 3.36Å; V278-Q280 VanDerWaalsContact C-N 3.28Å; V278-Q280 PolarHBondContact O-N 3.02Å; V278-T281 WeakPolarHBondContact O-CB 3.38Å; V278-T281 PolarHBondContact O-N 2.79Å; V278-L282 WeakPolarHBondContact O-CG 3.31Å; V278-L282 PolarHBondContact O-N 3.11Å
279	V	98.8	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-37.1	171	171.2	0	0	0	0	111.6	F91 A99 L108 F111 P261 V275 K277 L282 D283	F91-V279 HydrophobicContact CE2-CG1 4.13Å; F91-V279 HydrophobicContact CE2-CG2 4.07Å; F91-V279 HydrophobicContact CZ-CG1 3.8Å; F91-V279 HydrophobicContact CZ-CG2 4.13Å; A99-V279 HydrophobicContact CB-CB 4.1Å; A99-V279 HydrophobicContact CB-CG1 3.88Å; L108-V279 HydrophobicContact CD1-CG1 3.86Å; L108-V279 HydrophobicContact CD2-CG1 4.03Å; F111-V279 HydrophobicContact CE2-CG1 4.28Å; P261-V279 HydrophobicContact CB-CG2 4.34Å; P261-V279 HydrophobicContact CG-CG2 4.43Å; V275-V279 HydrophobicContact CG1-CG2 4.3Å; V275-V279 VanDerWaalsContact O-CG2 3.3Å; V275-V279 WeakPolarHBondContact O-CG2 3.21Å; V275-V279 PolarHBondContact O-N 2.84Å; K277-V279 VanDerWaalsContact C-N 3.34Å; V279-L282 PolarHBondContact O-N 2.82Å; V279-D283 PolarHBondContact O-N 2.88Å
280	Q	98.8	Very high	98.7	Very high	38 Å²	38	37.3 Å²	37.3	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-39.2	171.8	178.9	176.1	63	0	0	112.4	L103 A107 L108 A276 K277 V278 L282 D283 E284	L103-Q280 HydrophobicContact CD1-CB 3.98Å; A107-Q280 PolarHBondContact O-NE2 2.89Å; L108-Q280 HydrophobicContact CD2-CB 4.15Å; A276-Q280 PolarHBondContact O-N 3.41Å; A276-Q280 VanDerWaalsContact O-N 3.14Å; K277-Q280 WeakPolarHBondContact O-CB 3.42Å; K277-Q280 PolarHBondContact O-N 2.89Å; V278-Q280 VanDerWaalsContact C-N 3.28Å; V278-Q280 PolarHBondContact O-N 3.02Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 3.46Å; Q280-D283 WeakPolarHBondContact O-CB 3.41Å; Q280-D283 PolarHBondContact O-N 3.38Å; Q280-E284 WeakPolarHBondContact O-CG 3.42Å; Q280-E284 PolarHBondContact O-N 3.47Å
281	T	98.7	Very high	98.7	Very high	49 Å²	49	40 Å²	40	30%	0.301	20%	0.196	S	C	.	.	H	α-helix	trans	-65.1	-37	174.1	-62	0	0	0	0	112.3	K277 V278 D283 E284 T285	K277-T281 PolarHBondContact O-N 3.49Å; K277-T281 VanDerWaalsContact O-N 3.14Å; K277-T281 PolarHBondContact O-OG1 3.37Å; V278-T281 WeakPolarHBondContact O-CB 3.38Å; V278-T281 PolarHBondContact O-N 2.79Å; T281-D283 VanDerWaalsContact C-N 3.34Å; T281-E284 PolarHBondContact O-N 2.95Å; T281-T285 WeakPolarHBondContact O-CB 3.2Å; T281-T285 PolarHBondContact O-N 3.16Å; T281-T285 PolarHBondContact O-OG1 3.3Å
282	L	98.8	Very high	98.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-35.1	172.8	-66.5	171.6	0	0	0	111.8	M88 F91 Y233 E260 V278 V279 Q280 T285 L286	M88-L282 HydrophobicContact CE-CB 4.04Å; M88-L282 HydrophobicContact CE-CD2 4.24Å; M88-L282 HydrophobicContact SD-CB 4.18Å; M88-L282 HydrophobicContact SD-CD1 4.04Å; M88-L282 HydrophobicContact SD-CD2 4.41Å; M88-L282 HydrophobicContact SD-CG 4.44Å; F91-L282 HydrophobicContact CD2-CD1 4.07Å; F91-L282 HydrophobicContact CE2-CD1 4.1Å; Y233-L282 HydrophobicContact CE2-CD2 3.98Å; E260-L282 HydrophobicContact CB-CD1 4.32Å; E260-L282 WeakPolarHBondContact O-CD1 3.48Å; V278-L282 WeakPolarHBondContact O-CG 3.31Å; V278-L282 PolarHBondContact O-N 3.11Å; V279-L282 PolarHBondContact O-N 2.82Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 3.46Å; L282-T285 PolarHBondContact O-N 3.15Å; L282-L286 WeakPolarHBondContact O-CB 3.29Å; L282-L286 PolarHBondContact O-N 2.86Å
283	D	98.9	Very high	98.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-47.1	172.5	-175.9	90.7	0	0	0	111.8	L108 P109 N110 F111 V279 Q280 T281 T285 L286 G287	L108-D283 VanDerWaalsContact CA-OD1 3.28Å; L108-D283 WeakPolarHBondContact CA-OD1 3.12Å; L108-D283 HydrophobicContact CB-CB 4.49Å; L108-D283 HydrophobicContact CD2-CB 3.79Å; P109-D283 VanDerWaalsContact CD-OD2 3.27Å; P109-D283 WeakPolarHBondContact CD-OD2 3.42Å; N110-D283 WeakPolarHBondContact CA-OD1 3.16Å; N110-D283 VanDerWaalsContact CB-O 3.27Å; N110-D283 WeakPolarHBondContact CB-O 3.22Å; N110-D283 WeakPolarHBondContact CB-OD1 3.34Å; N110-D283 WeakPolarHBondContact CB-OD2 3.35Å; N110-D283 PolarHBondContact N-OD1 3.02Å; N110-D283 PolarHBondContact N-OD2 3.34Å; N110-D283 PolarHBondContact ND2-O 2.8Å; N110-D283 VanDerWaalsContact ND2-O 3.09Å; N110-D283 PolarHBondContact ND2-OD2 2.94Å; F111-D283 HydrophobicContact CD2-CB 3.7Å; F111-D283 WeakPolarHBondContact CD2-OD1 3.49Å; F111-D283 HydrophobicContact CE2-CB 3.87Å; F111-D283 PolarHBondContact N-OD1 3.04Å; V279-D283 PolarHBondContact O-N 2.88Å; Q280-D283 WeakPolarHBondContact O-CB 3.41Å; Q280-D283 PolarHBondContact O-N 3.38Å; T281-D283 VanDerWaalsContact C-N 3.34Å; D283-T285 VanDerWaalsContact C-N 3.32Å; D283-T285 PolarHBondContact O-N 2.95Å; D283-L286 WeakPolarHBondContact O-CB 3.43Å; D283-L286 PolarHBondContact O-N 3.06Å; D283-G287 PolarHBondContact O-N 3.31Å
284	E	98.8	Very high	98.7	Very high	95 Å²	95	35.8 Å²	35.8	44%	0.444	17%	0.173	S	C	.	.	H	α-helix	trans	-59.5	-44.1	175.8	-69.6	167.6	-173.7	0	0	111.3	Q280 T281 L286 G287 H288	Q280-E284 WeakPolarHBondContact O-CG 3.42Å; Q280-E284 PolarHBondContact O-N 3.47Å; T281-E284 PolarHBondContact O-N 2.95Å; E284-L286 PolarHBondContact O-N 3.27Å; E284-G287 WeakPolarHBondContact O-CA 3.28Å; E284-G287 PolarHBondContact O-N 3.36Å; E284-H288 PolarHBondContact O-N 3.42Å
285	T	98.7	Very high	98.6	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-44.8	176	-58.5	0	0	0	0	111.8	I237 F258 T281 L282 D283 G287 H288 L289	I237-T285 HydrophobicContact CD1-CG2 4.02Å; I237-T285 HydrophobicContact CG1-CG2 3.62Å; F258-T285 HydrophobicContact CE1-CG2 3.96Å; F258-T285 HydrophobicContact CZ-CG2 4.41Å; T281-T285 WeakPolarHBondContact O-CB 3.2Å; T281-T285 PolarHBondContact O-N 3.16Å; T281-T285 PolarHBondContact O-OG1 3.3Å; L282-T285 PolarHBondContact O-N 3.15Å; D283-T285 VanDerWaalsContact C-N 3.32Å; D283-T285 PolarHBondContact O-N 2.95Å; T285-G287 PolarHBondContact O-N 3.19Å; T285-H288 PolarHBondContact O-N 3.1Å; T285-L289 PolarHBondContact O-N 3.09Å
286	L	98.8	Very high	98.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-37.7	173	174.9	62.9	0	0	0	111	N110 F111 L114 L282 D283 E284 L289 L290 L306	N110-L286 HydrophobicContact CB-CB 4.45Å; N110-L286 HydrophobicContact CB-CD2 4.34Å; N110-L286 HydrophobicContact CB-CG 4.29Å; F111-L286 HydrophobicContact CD1-CD2 3.83Å; F111-L286 HydrophobicContact CE1-CD2 3.97Å; F111-L286 HydrophobicContact CG-CD2 4.15Å; F111-L286 HydrophobicContact CZ-CD2 4.39Å; L114-L286 HydrophobicContact CB-CD2 4.32Å; L114-L286 HydrophobicContact CD2-CD1 4.41Å; L114-L286 HydrophobicContact CD2-CD2 4.03Å; L282-L286 WeakPolarHBondContact O-CB 3.29Å; L282-L286 PolarHBondContact O-N 2.86Å; D283-L286 WeakPolarHBondContact O-CB 3.43Å; D283-L286 PolarHBondContact O-N 3.06Å; E284-L286 PolarHBondContact O-N 3.27Å; L286-L289 WeakPolarHBondContact O-CB 3.1Å; L286-L289 PolarHBondContact O-N 2.91Å; L286-L290 HydrophobicContact CD1-CD1 4.05Å; L286-L290 HydrophobicContact CD1-CD2 4.47Å; L286-L290 HydrophobicContact CD1-CG 3.98Å; L286-L290 HydrophobicContact CD2-CD1 4.48Å; L286-L290 HydrophobicContact CG-CD1 3.91Å; L286-L290 HydrophobicContact CG-CG 4.27Å; L286-L290 WeakPolarHBondContact O-CG 3.36Å; L286-L290 PolarHBondContact O-N 3.17Å; L286-L306 HydrophobicContact CD1-CD2 4.24Å; L286-L306 HydrophobicContact CD2-CD2 4.06Å
287	G	98.7	Very high	98.4	Very high	4 Å²	4	46.3 Å²	46.3	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-47.4	174.6	0	0	0	0	0	113.1	N110 R113 D283 E284 T285 L289 L290 D291	N110-G287 WeakPolarHBondContact OD1-CA 3.15Å; R113-G287 PolarHBondContact NH2-O 3.4Å; D283-G287 PolarHBondContact O-N 3.31Å; E284-G287 WeakPolarHBondContact O-CA 3.28Å; E284-G287 PolarHBondContact O-N 3.36Å; T285-G287 PolarHBondContact O-N 3.19Å; G287-L289 VanDerWaalsContact C-N 3.28Å; G287-L289 PolarHBondContact O-N 3.16Å; G287-L290 PolarHBondContact O-N 3.5Å; G287-D291 VanDerWaalsContact O-CB 3.29Å; G287-D291 WeakPolarHBondContact O-CB 3.24Å; G287-D291 VanDerWaalsContact O-CG 3.3Å; G287-D291 PolarHBondContact O-N 2.8Å
288	H	98.7	Very high	98.2	Very high	96 Å²	96	41.8 Å²	41.8	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-58.6	-40.3	175.8	-66.7	172.6	0	0	0	112.2	D234 I237 E284 T285 G292	D234-H288 IonicContact OD1-CE1 3.42Å; D234-H288 PolarHBondContact OD1-CE1 2.96Å; D234-H288 IonicContact OD1-ND1 3.8Å; D234-H288 PolarHBondContact OD1-ND1 2.88Å; I237-H288 HydrophobicContact CG2-CB 4.05Å; E284-H288 PolarHBondContact O-N 3.42Å; T285-H288 PolarHBondContact O-N 3.1Å; H288-G292 PolarHBondContact O-N 3.17Å
289	L	98.8	Very high	98.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-54.1	177.1	177.9	62.8	0	0	0	111.8	L84 I86 I237 I240 L241 T285 L286 G287 D291 G292 I293	L84-L289 HydrophobicContact CD2-CD1 4.26Å; L84-L289 HydrophobicContact CD2-CD2 4.01Å; I86-L289 HydrophobicContact CD1-CD2 3.42Å; I86-L289 VanDerWaalsContact CD1-CD2 3.42Å; I237-L289 HydrophobicContact CD1-CB 3.97Å; I237-L289 HydrophobicContact CD1-CD1 4.41Å; I237-L289 HydrophobicContact CD1-CD2 4.46Å; I237-L289 HydrophobicContact CG2-CB 4.08Å; I237-L289 HydrophobicContact CG2-CD1 4.47Å; I240-L289 HydrophobicContact CG2-CD1 3.86Å; L241-L289 HydrophobicContact CD2-CD1 4.17Å; L241-L289 HydrophobicContact CG-CD1 4.44Å; T285-L289 PolarHBondContact O-N 3.09Å; L286-L289 WeakPolarHBondContact O-CB 3.1Å; L286-L289 PolarHBondContact O-N 2.91Å; G287-L289 VanDerWaalsContact C-N 3.28Å; G287-L289 PolarHBondContact O-N 3.16Å; L289-D291 PolarHBondContact O-N 3.46Å; L289-G292 PolarHBondContact O-N 2.9Å; L289-G292 VanDerWaalsContact O-N 3.15Å; L289-I293 HydrophobicContact CD1-CD1 3.93Å; L289-I293 HydrophobicContact CD1-CG1 4.3Å; L289-I293 HydrophobicContact CG-CD1 4Å; L289-I293 WeakPolarHBondContact O-CG1 3.4Å; L289-I293 PolarHBondContact O-N 2.9Å
290	L	98.7	Very high	97.9	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-43.3	-176.5	-69.2	177.6	0	0	0	111.7	R113 L114 L286 G287 G292 I293 K294 I304	R113-L290 VanDerWaalsContact NH2-CB 3.26Å; L114-L290 HydrophobicContact CB-CD1 4.4Å; L114-L290 HydrophobicContact CD1-CD1 4.25Å; L114-L290 HydrophobicContact CD1-CD2 3.92Å; L286-L290 HydrophobicContact CD1-CD1 4.05Å; L286-L290 HydrophobicContact CD1-CD2 4.47Å; L286-L290 HydrophobicContact CD1-CG 3.98Å; L286-L290 HydrophobicContact CD2-CD1 4.48Å; L286-L290 HydrophobicContact CG-CD1 3.91Å; L286-L290 HydrophobicContact CG-CG 4.27Å; L286-L290 WeakPolarHBondContact O-CG 3.36Å; L286-L290 PolarHBondContact O-N 3.17Å; G287-L290 PolarHBondContact O-N 3.5Å; L290-G292 VanDerWaalsContact C-N 3.32Å; L290-G292 PolarHBondContact O-N 2.97Å; L290-I293 PolarHBondContact O-N 3.4Å; L290-K294 WeakPolarHBondContact O-CB 3.34Å; L290-K294 PolarHBondContact O-N 3.39Å; L290-I304 HydrophobicContact CD2-CD1 3.74Å
291	D	98.7	Very high	97.7	Very high	58 Å²	58	51.7 Å²	51.7	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-41.7	174.2	-75.2	1.9	0	0	0	111.3	R113 G287 L289 K294 K295	R113-D291 IonicContact CZ-OD1 2.73Å; R113-D291 IonicContact NH1-OD1 3.73Å; R113-D291 PolarHBondContact NH1-OD1 3.41Å; R113-D291 IonicContact NH2-OD1 3.35Å; R113-D291 PolarHBondContact NH2-OD1 3.1Å; G287-D291 VanDerWaalsContact O-CB 3.29Å; G287-D291 WeakPolarHBondContact O-CB 3.24Å; G287-D291 VanDerWaalsContact O-CG 3.3Å; G287-D291 PolarHBondContact O-N 2.8Å; L289-D291 PolarHBondContact O-N 3.46Å; D291-K294 PolarHBondContact O-N 3.41Å; D291-K295 VanDerWaalsContact O-CB 3.31Å; D291-K295 WeakPolarHBondContact O-CB 3.4Å; D291-K295 WeakPolarHBondContact O-CG 3.41Å; D291-K295 PolarHBondContact O-N 2.97Å
292	G	98.5	Very high	97.7	Very high	4 Å²	4	49.4 Å²	49.4	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-40.9	178.1	0	0	0	0	0	113.3	H288 L289 L290 R296	H288-G292 PolarHBondContact O-N 3.17Å; L289-G292 PolarHBondContact O-N 2.9Å; L289-G292 VanDerWaalsContact O-N 3.15Å; L290-G292 VanDerWaalsContact C-N 3.32Å; L290-G292 PolarHBondContact O-N 2.97Å; G292-R296 WeakPolarHBondContact O-CD 3.28Å; G292-R296 VanDerWaalsContact O-CG 3.31Å; G292-R296 WeakPolarHBondContact O-CG 3.45Å; G292-R296 PolarHBondContact O-N 3.45Å; G292-R296 PolarHBondContact O-NH1 3.36Å
293	I	98.1	Very high	97.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-48	175.2	-72.8	171.4	0	0	0	110	L241 L244 L289 L290 R296 G297 L298 V302 I304	L241-I293 HydrophobicContact CD2-CG1 3.95Å; L244-I293 HydrophobicContact CD1-CD1 4.34Å; L244-I293 HydrophobicContact CD1-CG1 4.03Å; L289-I293 HydrophobicContact CD1-CD1 3.93Å; L289-I293 HydrophobicContact CD1-CG1 4.3Å; L289-I293 HydrophobicContact CG-CD1 4Å; L289-I293 WeakPolarHBondContact O-CG1 3.4Å; L289-I293 PolarHBondContact O-N 2.9Å; L290-I293 PolarHBondContact O-N 3.4Å; I293-R296 PolarHBondContact O-N 3.02Å; I293-G297 PolarHBondContact O-N 3.16Å; I293-L298 HydrophobicContact CG2-CB 3.94Å; I293-L298 PolarHBondContact O-N 3.18Å; I293-V302 HydrophobicContact CD1-CG1 4.24Å; I293-I304 HydrophobicContact CD1-CD1 3.75Å; I293-I304 HydrophobicContact CD1-CG1 4.45Å
294	K	98.1	Very high	97.7	Very high	146 Å²	146	49.5 Å²	49.5	64%	0.635	25%	0.248	S	C	*	.	H	α-helix	trans	-61.2	-49.5	179.2	-175.2	177.1	-178.4	175.9	0	111.9	L290 D291 R296 G297	L290-K294 WeakPolarHBondContact O-CB 3.34Å; L290-K294 PolarHBondContact O-N 3.39Å; D291-K294 PolarHBondContact O-N 3.41Å; K294-R296 PolarHBondContact O-N 3.41Å; K294-R296 VanDerWaalsContact O-N 3.13Å; K294-G297 PolarHBondContact O-N 3.19Å
295	K	98.1	Very high	97.7	Very high	169 Å²	169	45 Å²	45	74%	0.735	23%	0.227	S	C	*	.	H	α-helix	trans	-58.2	-26.5	178.8	-75.3	169.9	-178.3	169.5	0	113.1	D291	D291-K295 VanDerWaalsContact O-CB 3.31Å; D291-K295 WeakPolarHBondContact O-CB 3.4Å; D291-K295 WeakPolarHBondContact O-CG 3.41Å; D291-K295 PolarHBondContact O-N 2.97Å
296	R	96	Very high	97.7	Very high	99 Å²	99	44.6 Å²	44.6	37%	0.374	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.2	178.7	-71	167.3	175.4	68.5	1	113.9	L241 G292 I293 K294 L298	L241-R296 PolarHBondContact O-NE 2.94Å; G292-R296 WeakPolarHBondContact O-CD 3.28Å; G292-R296 VanDerWaalsContact O-CG 3.31Å; G292-R296 WeakPolarHBondContact O-CG 3.45Å; G292-R296 PolarHBondContact O-N 3.45Å; G292-R296 PolarHBondContact O-NH1 3.36Å; I293-R296 PolarHBondContact O-N 3.02Å; K294-R296 PolarHBondContact O-N 3.41Å; K294-R296 VanDerWaalsContact O-N 3.13Å; R296-L298 VanDerWaalsContact C-N 3.33Å; R296-L298 HydrophobicContact CB-CD1 3.72Å; R296-L298 HydrophobicContact CB-CG 3.8Å
297	G	95.5	Very high	97.7	Very high	57 Å²	57	44.5 Å²	44.5	59%	0.588	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	33.3	-176.7	0	0	0	0	0	113	I293 K294	I293-G297 PolarHBondContact O-N 3.16Å; K294-G297 PolarHBondContact O-N 3.19Å
298	L	96	Very high	97.7	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.058	22%	0.223	C	C	.	.			trans	-105.6	1.5	-174.6	-63.5	177.1	0	0	0	113.4	L244 K245 I293 R296 D300 K301 V302	L244-L298 HydrophobicContact CB-CD1 3.79Å; K245-L298 HydrophobicContact CB-CD1 4.48Å; I293-L298 HydrophobicContact CG2-CB 3.94Å; I293-L298 PolarHBondContact O-N 3.18Å; R296-L298 VanDerWaalsContact C-N 3.33Å; R296-L298 HydrophobicContact CB-CD1 3.72Å; R296-L298 HydrophobicContact CB-CG 3.8Å; L298-D300 VanDerWaalsContact C-N 3.26Å; L298-D300 PolarHBondContact O-N 3.23Å; L298-K301 HydrophobicContact CD2-CD 4.07Å; L298-K301 WeakPolarHBondContact O-CA 3.32Å; L298-K301 WeakPolarHBondContact O-CB 3.4Å; L298-K301 PolarHBondContact O-N 3.41Å; L298-V302 HydrophobicContact CB-CG2 4.12Å; L298-V302 PolarHBondContact O-N 2.69Å; L298-V302 VanDerWaalsContact O-N 3.17Å
299	T	95.8	Very high	97.7	Very high	37 Å²	37	39.9 Å²	39.9	23%	0.227	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.7	-177.1	-68.9	0	0	0	0	113.9	K301 R429	T299-K301 VanDerWaalsContact C-N 3.32Å; T299-R429 PolarHBondContact O-NH1 3.43Å
300	D	94.3	Very high	97.7	Very high	126 Å²	126	39.9 Å²	39.9	67%	0.674	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	8.8	179.5	-55.9	-47.4	0	0	0	113.4	L298 P431	L298-D300 VanDerWaalsContact C-N 3.26Å; L298-D300 PolarHBondContact O-N 3.23Å; D300-P431 WeakPolarHBondContact O-CG 3.38Å
301	K	95.2	Very high	97.7	Very high	103 Å²	103	39.3 Å²	39.3	45%	0.448	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-12	-175.5	-64.1	-172.3	178.6	-176.6	0	113.4	G80 K81 T82 L298 T299	G80-K301 WeakPolarHBondContact O-CB 3.47Å; G80-K301 WeakPolarHBondContact O-CG 3.45Å; K81-K301 CarbonylContact C-O 3.57Å; K81-K301 WeakPolarHBondContact CA-O 3.37Å; T82-K301 PolarHBondContact N-O 3.48Å; L298-K301 HydrophobicContact CD2-CD 4.07Å; L298-K301 WeakPolarHBondContact O-CA 3.32Å; L298-K301 WeakPolarHBondContact O-CB 3.4Å; L298-K301 PolarHBondContact O-N 3.41Å; T299-K301 VanDerWaalsContact C-N 3.32Å
302	V	97.9	Very high	97.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.4	-176.5	-175	0	0	0	0	110.1	T82 L84 L244 I293 L298 I304 G430 P431	T82-V302 WeakPolarHBondContact O-CA 3.29Å; L84-V302 HydrophobicContact CB-CG1 4.11Å; L244-V302 HydrophobicContact CD1-CG2 4.3Å; L244-V302 HydrophobicContact CD2-CG2 3.84Å; I293-V302 HydrophobicContact CD1-CG1 4.24Å; L298-V302 HydrophobicContact CB-CG2 4.12Å; L298-V302 PolarHBondContact O-N 2.69Å; L298-V302 VanDerWaalsContact O-N 3.17Å; V302-I304 HydrophobicContact CG1-CG1 3.9Å; V302-G430 WeakPolarHBondContact O-CA 3.19Å; V302-P431 VanDerWaalsContact O-CD 3.31Å; V302-P431 WeakPolarHBondContact O-CD 3.44Å
303	D	98.6	Very high	97.6	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.6	167.3	-79.9	-45	0	0	0	108.2	T82 V83 L84 G430 P431 S432 F433	T82-D303 PolarHBondContact O-N 2.76Å; V83-D303 CarbonylContact C-O 3.52Å; V83-D303 WeakPolarHBondContact CA-O 3.36Å; L84-D303 PolarHBondContact N-O 3.42Å; D303-G430 VanDerWaalsContact OD1-C 3.28Å; D303-G430 WeakPolarHBondContact OD1-CA 3.36Å; D303-P431 WeakPolarHBondContact OD1-CD 3.5Å; D303-P431 WeakPolarHBondContact OD1-CG 3.09Å; D303-S432 VanDerWaalsContact OD1-CB 3.28Å; D303-S432 WeakPolarHBondContact OD1-CB 3.13Å; D303-S432 PolarHBondContact OD1-N 3.01Å; D303-S432 PolarHBondContact OD1-OG 3.01Å; D303-S432 VanDerWaalsContact OD2-CB 3.24Å; D303-S432 WeakPolarHBondContact OD2-CB 3.21Å; D303-S432 PolarHBondContact OD2-OG 2.91Å; D303-F433 HydrophobicContact CB-CD2 4.41Å; D303-F433 HydrophobicContact CB-CE2 3.72Å; D303-F433 HydrophobicContact CB-CZ 4.5Å
304	I	98.9	Very high	97.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.4	179	-52.6	175.2	0	0	0	108.3	L84 I86 L290 I293 V302 L306 A428 R429	L84-I304 HydrophobicContact CD2-CG1 4.41Å; L84-I304 CarbonylContact O-C 3.2Å; L84-I304 WeakPolarHBondContact O-CA 3.26Å; I86-I304 HydrophobicContact CD1-CG2 4.27Å; L290-I304 HydrophobicContact CD2-CD1 3.74Å; I293-I304 HydrophobicContact CD1-CD1 3.75Å; I293-I304 HydrophobicContact CD1-CG1 4.45Å; V302-I304 HydrophobicContact CG1-CG1 3.9Å; I304-L306 HydrophobicContact CG2-CB 4.49Å; I304-A428 CarbonylContact O-C 3.58Å; I304-A428 VanDerWaalsContact O-CA 3.23Å; I304-A428 WeakPolarHBondContact O-CA 3.28Å; I304-R429 PolarHBondContact N-O 2.9Å; I304-R429 PolarHBondContact O-N 3.32Å
305	I	98.9	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.2	166.1	-59.4	171.2	0	0	0	106	V83 L84 L85 I86 F426 A428 F433 V447 L450 M451	V83-I305 HydrophobicContact CG1-CD1 4.36Å; L84-I305 PolarHBondContact O-N 3.41Å; L85-I305 WeakPolarHBondContact CA-O 3.24Å; L85-I305 HydrophobicContact CD1-CB 3.85Å; L85-I305 HydrophobicContact CD1-CG2 3.6Å; I86-I305 PolarHBondContact N-O 2.91Å; I305-F426 HydrophobicContact CG2-CD2 4.35Å; I305-F426 HydrophobicContact CG2-CE2 3.54Å; I305-F426 HydrophobicContact CG2-CZ 3.86Å; I305-A428 HydrophobicContact CG1-CB 4.45Å; I305-F433 HydrophobicContact CD1-CZ 4.15Å; I305-F433 HydrophobicContact CG1-CE2 4.23Å; I305-F433 HydrophobicContact CG1-CZ 3.72Å; I305-V447 HydrophobicContact CD1-CG1 4.48Å; I305-V447 HydrophobicContact CG2-CG1 4.47Å; I305-L450 HydrophobicContact CD1-CD2 3.86Å; I305-L450 HydrophobicContact CD1-CG 4.46Å; I305-M451 HydrophobicContact CD1-CG 3.95Å
306	L	98.9	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.2	178.5	-180	64.4	0	0	0	108.4	I86 M88 F111 L114 L286 I304 F425 I427	I86-L306 HydrophobicContact CB-CD1 3.6Å; I86-L306 HydrophobicContact CD1-CD1 4.47Å; I86-L306 HydrophobicContact CG2-CD1 3.52Å; M88-L306 HydrophobicContact CE-CD1 3.85Å; M88-L306 HydrophobicContact CE-CD2 4.45Å; M88-L306 HydrophobicContact CG-CD1 4.2Å; M88-L306 HydrophobicContact SD-CD1 4.01Å; F111-L306 HydrophobicContact CD1-CD2 4.43Å; F111-L306 HydrophobicContact CE1-CD2 3.75Å; L114-L306 HydrophobicContact CD2-CB 4.18Å; L114-L306 HydrophobicContact CD2-CD2 3.52Å; L114-L306 HydrophobicContact CD2-CG 4.48Å; L286-L306 HydrophobicContact CD1-CD2 4.24Å; L286-L306 HydrophobicContact CD2-CD2 4.06Å; I304-L306 HydrophobicContact CG2-CB 4.49Å; L306-F425 HydrophobicContact CD1-CE2 4.48Å; L306-F425 HydrophobicContact CD1-CZ 3.96Å; L306-F425 HydrophobicContact CD2-CE2 3.8Å; L306-F425 HydrophobicContact CD2-CZ 4.07Å; L306-F425 HydrophobicContact CG-CE2 3.59Å; L306-F425 HydrophobicContact CG-CZ 3.54Å; L306-I427 PolarHBondContact N-O 2.94Å; L306-I427 PolarHBondContact O-N 3.31Å; L306-I427 VanDerWaalsContact O-O 3.08Å
307	T	98.8	Very high	97.3	Very high	2 Å²	2	26 Å²	26	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-178.6	-172.9	-170.2	0	0	0	0	110.3	L85 I86 S87 M88 L139 F425	L85-T307 HydrophobicContact CD1-CG2 3.84Å; I86-T307 PolarHBondContact O-N 2.87Å; S87-T307 CarbonylContact C-O 3.6Å; S87-T307 VanDerWaalsContact CA-O 3.27Å; S87-T307 WeakPolarHBondContact CA-O 3.35Å; M88-T307 PolarHBondContact N-O 2.55Å; L139-T307 HydrophobicContact CD1-CG2 4.22Å; L139-T307 HydrophobicContact CD2-CG2 4.48Å; T307-F425 WeakPolarHBondContact CA-O 3.41Å; T307-F425 VanDerWaalsContact O-CE1 3.24Å; T307-F425 WeakPolarHBondContact O-CE1 3.41Å; T307-F425 PolarHBondContact OG1-O 2.72Å; T307-F425 VanDerWaalsContact OG1-O 3.11Å
308	A	98.8	Very high	97.2	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	15%	0.152	C	C	.	.			trans	-127.4	176.9	161.9	0	0	0	0	0	110.4	M88 F91 P424 F425	M88-A308 WeakPolarHBondContact O-CB 3.36Å; F91-A308 HydrophobicContact CB-CB 3.89Å; A308-P424 HydrophobicContact CB-CB 3.53Å; A308-P424 WeakPolarHBondContact O-CB 3.12Å; A308-F425 HydrophobicContact CB-CD1 3.95Å; A308-F425 HydrophobicContact CB-CE1 3.99Å; A308-F425 PolarHBondContact N-O 2.79Å
309	D	98.5	Very high	97.2	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	16%	0.161	C	C	.	.	S	Bend	trans	-86.6	-40.9	172.5	52.9	-13.1	0	0	0	112.9	G90 N126 T132 N135 H136	G90-D309 PolarHBondContact N-OD1 2.85Å; N126-D309 VanDerWaalsContact CB-O 3.27Å; N126-D309 WeakPolarHBondContact CB-O 3.46Å; N126-D309 PolarHBondContact ND2-O 3.11Å; N126-D309 VanDerWaalsContact ND2-O 3.15Å; T132-D309 VanDerWaalsContact CA-OD2 3.22Å; T132-D309 WeakPolarHBondContact CA-OD2 3.14Å; N135-D309 HydrophobicContact CB-CB 3.6Å; N135-D309 PolarHBondContact OD1-O 2.84Å; H136-D309 VanDerWaalsContact CE1-CG 3.4Å; H136-D309 IonicContact CE1-OD2 3.62Å; H136-D309 PolarHBondContact CE1-OD2 2.9Å; H136-D309 IonicContact ND1-OD2 2.92Å; H136-D309 PolarHBondContact ND1-OD2 3.45Å
310	H	98.7	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.			trans	-150.1	171.9	176.5	49.3	73.9	0	0	0	112.9	D89 G90 F91 N126 T130 I131 T132 D262 H413	D89-H310 IonicContact OD1-CE1 3.51Å; D89-H310 PolarHBondContact OD1-CE1 3.1Å; D89-H310 IonicContact OD1-NE2 3.24Å; D89-H310 PolarHBondContact OD1-NE2 3.22Å; G90-H310 CarbonylContact C-O 3.56Å; G90-H310 VanDerWaalsContact CA-O 3.27Å; G90-H310 WeakPolarHBondContact CA-O 3.17Å; F91-H310 PolarHBondContact N-O 3.01Å; N126-H310 WeakPolarHBondContact ND2-CA 3.44Å; T130-H310 WeakPolarHBondContact O-CB 3.27Å; T130-H310 PolarHBondContact O-CD2 3.14Å; T130-H310 VanDerWaalsContact O-CG 3.26Å; I131-H310 VanDerWaalsContact C-CD2 3.48Å; I131-H310 VanDerWaalsContact CA-CD2 3.45Å; I131-H310 WeakPolarHBondContact CA-CD2 3.05Å; T132-H310 PolarHBondContact N-NE2 2.85Å; D262-H310 IonicContact OD1-CE1 3.66Å; D262-H310 PolarHBondContact OD1-CE1 3.17Å; H310-H413 AromaticContact CD2-CE1 3.94Å; H310-H413 AromaticContact CD2-ND1 3.53Å; H310-H413 AromaticContact CE1-CD2 3.72Å; H310-H413 AromaticContact CE1-CE1 3.14Å; H310-H413 PolarHBondContact CE1-CE1 3.18Å; H310-H413 AromaticContact CE1-CG 3.44Å; H310-H413 VanDerWaalsContact CE1-CG 3.44Å; H310-H413 AromaticContact CE1-ND1 3.07Å; H310-H413 PolarHBondContact CE1-ND1 3.17Å; H310-H413 AromaticContact CE1-NE2 3.6Å; H310-H413 AromaticContact CG-ND1 3.64Å; H310-H413 AromaticContact ND1-CE1 3.9Å; H310-H413 AromaticContact ND1-CG 3.47Å; H310-H413 AromaticContact ND1-ND1 3.34Å; H310-H413 PolarHBondContact ND1-ND1 3.36Å; H310-H413 AromaticContact NE2-CE1 3.07Å; H310-H413 PolarHBondContact NE2-CE1 3.27Å; H310-H413 AromaticContact NE2-CG 3.95Å; H310-H413 AromaticContact NE2-ND1 3.1Å; H310-H413 PolarHBondContact NE2-ND1 3.21Å; H310-H413 AromaticContact NE2-NE2 3.93Å
311	G	98.4	Very high	97.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.			trans	-92.3	-155.3	164	0	0	0	0	0	111.9	H413 E421 M422	G311-H413 WeakPolarHBondContact O-CB 3.38Å; G311-E421 CarbonylContact C-O 3.23Å; G311-E421 VanDerWaalsContact CA-O 3.31Å; G311-E421 WeakPolarHBondContact CA-O 3.49Å; G311-M422 PolarHBondContact N-O 3.46Å
312	M	98.7	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.			trans	-153.5	139	-172.9	-176.2	61.8	63.2	0	0	110.8	R92 Y95 D262 P270 G411 D412 H413 E421	R92-M312 WeakPolarHBondContact CD-O 3.46Å; R92-M312 PolarHBondContact NH1-O 2.84Å; Y95-M312 VanDerWaalsContact OH-CB 3.22Å; Y95-M312 WeakPolarHBondContact OH-CB 3.36Å; D262-M312 WeakPolarHBondContact OD1-CE 3.35Å; P270-M312 HydrophobicContact CB-CB 4.09Å; P270-M312 HydrophobicContact CB-CG 3.84Å; P270-M312 HydrophobicContact CG-CG 4.29Å; M312-G411 VanDerWaalsContact SD-C 3.54Å; M312-D412 VanDerWaalsContact SD-CA 3.52Å; M312-D412 PolarHBondContact SD-N 2.96Å; M312-H413 HydrophobicContact CE-CB 4.28Å; M312-H413 HydrophobicContact SD-CB 4.34Å; M312-E421 PolarHBondContact N-O 2.81Å
313	S	98.4	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147	-177.8	-168.4	0	0	0	0	112.5	T315 R395 G411 D412 F419 E421	S313-T315 PolarHBondContact O-N 2.89Å; S313-R395 WeakPolarHBondContact OG-CG 3.34Å; S313-G411 CarbonylContact O-C 3.23Å; S313-G411 VanDerWaalsContact O-CA 3.29Å; S313-G411 WeakPolarHBondContact O-CA 3.27Å; S313-D412 PolarHBondContact N-O 3.23Å; S313-D412 PolarHBondContact O-N 3.39Å; S313-F419 WeakPolarHBondContact OG-CE1 3.21Å; S313-E421 VanDerWaalsContact CA-OE2 3.28Å; S313-E421 WeakPolarHBondContact CA-OE2 3.18Å; S313-E421 WeakPolarHBondContact CB-OE2 3.15Å; S313-E421 PolarHBondContact OG-OE2 2.81Å
314	E	98	Very high	97.5	Very high	65 Å²	65	22.2 Å²	22.2	30%	0.304	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.5	176.5	-171.3	78.8	-156.9	0	0	110.7	P270 R319 R395	P270-E314 WeakPolarHBondContact CD-OE2 3.23Å; P270-E314 HydrophobicContact CG-CB 4.21Å; E314-R319 PolarHBondContact O-NH2 3.4Å; E314-R395 WeakPolarHBondContact O-CB 3.25Å; E314-R395 WeakPolarHBondContact O-CG 3.38Å
315	T	96.5	Very high	97.4	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.031	15%	0.149	C	C	.	.			trans	-116.4	172.5	174.8	68.8	0	0	0	0	111.5	S313 K397 V409 S410 D412 Y415	S313-T315 PolarHBondContact O-N 2.89Å; T315-K397 HydrophobicContact CG2-CD 3.96Å; T315-K397 HydrophobicContact CG2-CG 3.98Å; T315-K397 PolarHBondContact OG1-NZ 3.23Å; T315-V409 PolarHBondContact OG1-O 3.26Å; T315-S410 PolarHBondContact N-O 2.86Å; T315-S410 PolarHBondContact OG1-O 2.89Å; T315-D412 HydrophobicContact CG2-CB 3.46Å; T315-D412 VanDerWaalsContact CG2-CB 3.46Å; T315-Y415 WeakPolarHBondContact CG2-OH 3.23Å
316	S	94.6	Very high	97.3	Very high	29 Å²	29	32.8 Å²	32.8	20%	0.203	16%	0.163	C	C	.	.			trans	-151.7	144.9	-179.7	175.9	0	0	0	0	109.7	T318 R319	S316-T318 PolarHBondContact O-N 3.44Å; S316-T318 VanDerWaalsContact O-N 3.12Å; S316-T318 PolarHBondContact OG-N 2.96Å; S316-T318 PolarHBondContact OG-OG1 3.44Å; S316-R319 PolarHBondContact O-N 3.5Å
317	N	92.9	Very high	97.3	Very high	100 Å²	100	33 Å²	33	54%	0.535	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.2	170.9	64.1	1.6	0	0	0	113.7	L320	N317-L320 WeakPolarHBondContact O-CD1 3.37Å; N317-L320 WeakPolarHBondContact O-CG 3.48Å
318	T	94.3	Very high	97.1	Very high	103 Å²	103	37 Å²	37	63%	0.632	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-15.2	172.5	63.6	0	0	0	0	113.5	S316	S316-T318 PolarHBondContact O-N 3.44Å; S316-T318 VanDerWaalsContact O-N 3.12Å; S316-T318 PolarHBondContact OG-N 2.96Å; S316-T318 PolarHBondContact OG-OG1 3.44Å
319	R	96.7	Very high	96.9	Very high	66 Å²	66	40.1 Å²	40.1	25%	0.249	20%	0.202	C	C	.	.	S	Bend	trans	-110.7	58.4	-178.5	-65.6	-170.4	-60.6	-85	4.7	111.1	E314 S316 R395 W396 K397	E314-R319 PolarHBondContact O-NH2 3.4Å; S316-R319 PolarHBondContact O-N 3.5Å; R319-R395 PolarHBondContact NE-O 2.61Å; R319-W396 HydrophobicContact CB-CD2 3.79Å; R319-W396 HydrophobicContact CB-CE3 3.94Å; R319-W396 HydrophobicContact CB-CG 4.19Å; R319-W396 HydrophobicContact CB-CZ2 4.35Å; R319-W396 HydrophobicContact CB-CZ3 4.31Å; R319-W396 HydrophobicContact CG-CD2 4.38Å; R319-W396 HydrophobicContact CG-CZ2 4.15Å; R319-W396 WeakPolarHBondContact O-CA 3.35Å; R319-K397 PolarHBondContact O-N 3.03Å
320	L	97.7	Very high	96.8	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.12	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.3	-178.2	-57.1	-179.7	0	0	0	111.8	N317 K397 V399 T402 A407	N317-L320 WeakPolarHBondContact O-CD1 3.37Å; N317-L320 WeakPolarHBondContact O-CG 3.48Å; L320-K397 CarbonylContact C-O 3.55Å; L320-K397 WeakPolarHBondContact CA-O 3.19Å; L320-K397 HydrophobicContact CD2-CB 3.98Å; L320-V399 HydrophobicContact CB-CG2 4.23Å; L320-V399 HydrophobicContact CD1-CG2 4.49Å; L320-V399 HydrophobicContact CD2-CG1 4.08Å; L320-T402 HydrophobicContact CD1-CG2 4.28Å; L320-A407 HydrophobicContact CD1-CB 4.12Å
321	I	97.9	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	100.6	169.2	-60	153.4	0	0	0	106.9	H361 K363 L364 A392 W396 K397 I398 V399	I321-H361 HydrophobicContact CG1-CB 4.47Å; I321-H361 HydrophobicContact CG2-CB 4.14Å; I321-K363 HydrophobicContact CD1-CB 4.42Å; I321-K363 WeakPolarHBondContact CD1-O 3.26Å; I321-L364 HydrophobicContact CD1-CB 4.06Å; I321-L364 HydrophobicContact CD1-CD1 4.36Å; I321-L364 HydrophobicContact CG2-CB 4.39Å; I321-L364 HydrophobicContact CG2-CD2 4.11Å; I321-A392 HydrophobicContact CD1-CB 4.3Å; I321-W396 HydrophobicContact CD1-CB 4.15Å; I321-W396 HydrophobicContact CD1-CE3 4.42Å; I321-W396 HydrophobicContact CG1-CE3 3.95Å; I321-K397 PolarHBondContact N-O 3.25Å; I321-I398 HydrophobicContact CB-CG1 4.48Å; I321-I398 HydrophobicContact CD1-CG1 4.19Å; I321-I398 WeakPolarHBondContact O-CA 3.42Å; I321-V399 PolarHBondContact O-N 3.19Å; I321-V399 VanDerWaalsContact O-O 3.13Å
322	T	97.2	Very high	96.6	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	108.6	-176.2	-44.6	0	0	0	0	111	D324 K325 Y326 V399 K400	T322-D324 PolarHBondContact O-N 3.19Å; T322-K325 HydrophobicContact CG2-CG 4.22Å; T322-K325 WeakPolarHBondContact O-CB 3.42Å; T322-K325 PolarHBondContact O-N 2.89Å; T322-Y326 VanDerWaalsContact O-CD2 3.28Å; T322-Y326 WeakPolarHBondContact O-CD2 3.3Å; T322-Y326 VanDerWaalsContact O-CE2 3.3Å; T322-Y326 WeakPolarHBondContact O-CE2 3.48Å; T322-V399 CarbonylContact C-O 3.58Å; T322-V399 WeakPolarHBondContact CA-O 3.37Å; T322-V399 HydrophobicContact CG2-CG2 4.35Å; T322-K400 WeakPolarHBondContact CG2-O 3.46Å
323	L	98	Very high	96.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-64.2	-36.4	-175.4	-63.6	-176.1	0	0	0	113.2	K325 Y326 I327 Y332 L337 L343 L357 L390 I398 V399 K400	L323-K325 PolarHBondContact O-N 3.45Å; L323-Y326 PolarHBondContact O-N 3.18Å; L323-I327 HydrophobicContact CB-CG2 4.36Å; L323-I327 WeakPolarHBondContact O-CG2 3.43Å; L323-I327 PolarHBondContact O-N 2.69Å; L323-Y332 WeakPolarHBondContact CB-OH 3.37Å; L323-Y332 HydrophobicContact CD1-CE2 4.21Å; L323-Y332 WeakPolarHBondContact CD1-OH 3.16Å; L323-L337 HydrophobicContact CD1-CD1 4.4Å; L323-L337 HydrophobicContact CD1-CD2 3.9Å; L323-L343 HydrophobicContact CD1-CD2 4.47Å; L323-L357 HydrophobicContact CD2-CD2 3.88Å; L323-L390 HydrophobicContact CD1-CD2 4.35Å; L323-L390 HydrophobicContact CD2-CD2 3.95Å; L323-I398 HydrophobicContact CD1-CG2 3.85Å; L323-I398 HydrophobicContact CD2-CG2 3.73Å; L323-I398 HydrophobicContact CG-CG2 3.7Å; L323-V399 PolarHBondContact N-O 3.26Å; L323-K400 PolarHBondContact N-O 2.86Å
324	D	96.7	Very high	96.3	Very high	58 Å²	58	54.6 Å²	54.6	31%	0.31	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-60.5	-15.1	179.4	-73.4	-9.1	0	0	0	112.8	T322 Y326 K400 N401	T322-D324 PolarHBondContact O-N 3.19Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; D324-K400 WeakPolarHBondContact CB-O 2.96Å; D324-K400 PolarHBondContact N-O 3.5Å; D324-K400 WeakPolarHBondContact OD1-CG 3.01Å; D324-N401 PolarHBondContact OD2-ND2 2.8Å; D324-N401 VanDerWaalsContact OD2-ND2 3.12Å
325	K	97.2	Very high	96	Very high	149 Å²	149	52.3 Å²	52.3	65%	0.648	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-75.3	-20.7	173.2	-66	-178.7	-179.1	176	0	113.7	T322 L323	T322-K325 HydrophobicContact CG2-CG 4.22Å; T322-K325 WeakPolarHBondContact O-CB 3.42Å; T322-K325 PolarHBondContact O-N 2.89Å; L323-K325 PolarHBondContact O-N 3.45Å
326	Y	97.5	Very high	95.8	Very high	74 Å²	74	54 Å²	54	29%	0.29	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-27.2	-170.7	-50.7	-71.2	0	0	0	112.5	T322 L323 D324 R356 A360	T322-Y326 VanDerWaalsContact O-CD2 3.28Å; T322-Y326 WeakPolarHBondContact O-CD2 3.3Å; T322-Y326 VanDerWaalsContact O-CE2 3.3Å; T322-Y326 WeakPolarHBondContact O-CE2 3.48Å; L323-Y326 PolarHBondContact O-N 3.18Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-R356 WeakPolarHBondContact O-CD 3.05Å; Y326-A360 HydrophobicContact CD1-CB 3.72Å; Y326-A360 HydrophobicContact CD2-CB 3.88Å; Y326-A360 HydrophobicContact CE1-CB 4.09Å; Y326-A360 WeakPolarHBondContact CE1-O 3.47Å; Y326-A360 HydrophobicContact CE2-CB 4.23Å; Y326-A360 HydrophobicContact CG-CB 3.6Å; Y326-A360 PolarHBondContact OH-O 2.85Å
327	I	97.1	Very high	95.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	-146.6	140.7	-174	-177	152.3	0	0	0	111.9	L323 L331 Y332 V353 L357	L323-I327 HydrophobicContact CB-CG2 4.36Å; L323-I327 WeakPolarHBondContact O-CG2 3.43Å; L323-I327 PolarHBondContact O-N 2.69Å; I327-L331 HydrophobicContact CD1-CB 4.34Å; I327-L331 HydrophobicContact CD1-CD1 4.33Å; I327-L331 HydrophobicContact CG1-CB 4.34Å; I327-L331 HydrophobicContact CG1-CD1 4.08Å; I327-Y332 HydrophobicContact CD1-CD1 4.33Å; I327-Y332 HydrophobicContact CG1-CD1 4.27Å; I327-Y332 HydrophobicContact CG1-CE1 4.33Å; I327-Y332 HydrophobicContact CG2-CD1 4.38Å; I327-Y332 HydrophobicContact CG2-CE1 3.76Å; I327-V353 HydrophobicContact CD1-CB 3.75Å; I327-V353 HydrophobicContact CD1-CG1 3.68Å; I327-V353 HydrophobicContact CD1-CG2 3.54Å; I327-L357 HydrophobicContact CG2-CD2 3.83Å; I327-L357 HydrophobicContact CG2-CG 4.37Å
328	D	96.2	Very high	96	Very high	88 Å²	88	48.6 Å²	48.6	47%	0.471	25%	0.247	S	C	.	.			trans	-67.4	131.8	172	-170.5	-53.7	0	0	0	110.2	S330 L331	D328-S330 PolarHBondContact O-N 2.89Å; D328-S330 VanDerWaalsContact OD1-CB 3.26Å; D328-S330 WeakPolarHBondContact OD1-CB 3.3Å; D328-S330 PolarHBondContact OD1-N 3.15Å; D328-S330 PolarHBondContact OD1-OG 3.45Å; D328-L331 HydrophobicContact CB-CD1 4.18Å; D328-L331 HydrophobicContact CB-CG 4.15Å; D328-L331 WeakPolarHBondContact O-CB 3.25Å; D328-L331 PolarHBondContact O-N 2.82Å; D328-L331 VanDerWaalsContact O-N 3.14Å
329	N	93.7	Very high	96.1	Very high	66 Å²	66	43.8 Å²	43.8	35%	0.353	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-71.2	-12.6	-176.6	64.7	42.8	0	0	0	114.8	L331 Y332 K400	N329-L331 PolarHBondContact O-N 2.97Å; N329-Y332 HydrophobicContact CB-CE1 4.5Å; N329-Y332 VanDerWaalsContact O-O 3.09Å; N329-K400 WeakPolarHBondContact ND2-CE 3.3Å; N329-K400 PolarHBondContact ND2-NZ 3.03Å
330	S	96.3	Very high	96	Very high	82 Å²	82	40.7 Å²	40.7	57%	0.573	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-71.9	-14.6	170.8	64.4	0	0	0	0	112.9	D328	D328-S330 PolarHBondContact O-N 2.89Å; D328-S330 VanDerWaalsContact OD1-CB 3.26Å; D328-S330 WeakPolarHBondContact OD1-CB 3.3Å; D328-S330 PolarHBondContact OD1-N 3.15Å; D328-S330 PolarHBondContact OD1-OG 3.45Å
331	L	97.4	Very high	95.9	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.099	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-86.4	-8.3	-175.9	-59.3	-178.5	0	0	0	113.9	I327 D328 N329 A346 K349 V353	I327-L331 HydrophobicContact CD1-CB 4.34Å; I327-L331 HydrophobicContact CD1-CD1 4.33Å; I327-L331 HydrophobicContact CG1-CB 4.34Å; I327-L331 HydrophobicContact CG1-CD1 4.08Å; D328-L331 HydrophobicContact CB-CD1 4.18Å; D328-L331 HydrophobicContact CB-CG 4.15Å; D328-L331 WeakPolarHBondContact O-CB 3.25Å; D328-L331 PolarHBondContact O-N 2.82Å; D328-L331 VanDerWaalsContact O-N 3.14Å; N329-L331 PolarHBondContact O-N 2.97Å; L331-A346 PolarHBondContact O-N 2.94Å; L331-K349 HydrophobicContact CD2-CD 4.13Å; L331-K349 HydrophobicContact CD2-CG 4.09Å; L331-V353 HydrophobicContact CB-CG2 4.1Å
332	Y	96.6	Very high	95.7	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	152.7	-179.1	70.3	-82.8	0	0	0	112.7	L323 I327 N329 Y334 L343 Y344	L323-Y332 WeakPolarHBondContact CB-OH 3.37Å; L323-Y332 HydrophobicContact CD1-CE2 4.21Å; L323-Y332 WeakPolarHBondContact CD1-OH 3.16Å; I327-Y332 HydrophobicContact CD1-CD1 4.33Å; I327-Y332 HydrophobicContact CG1-CD1 4.27Å; I327-Y332 HydrophobicContact CG1-CE1 4.33Å; I327-Y332 HydrophobicContact CG2-CD1 4.38Å; I327-Y332 HydrophobicContact CG2-CE1 3.76Å; N329-Y332 HydrophobicContact CB-CE1 4.5Å; N329-Y332 VanDerWaalsContact O-O 3.09Å; Y332-Y334 HydrophobicContact CD2-CD1 4.48Å; Y332-Y334 AromaticContact CE2-CD1 3.98Å; Y332-Y334 HydrophobicContact CE2-CD1 3.98Å; Y332-L343 HydrophobicContact CD2-CD2 3.91Å; Y332-L343 HydrophobicContact CD2-CG 3.77Å; Y332-L343 HydrophobicContact CE2-CD2 4.15Å; Y332-L343 HydrophobicContact CE2-CG 4.15Å; Y332-L343 HydrophobicContact CG-CD2 4.3Å; Y332-L343 HydrophobicContact CG-CG 4.5Å; Y332-Y344 WeakPolarHBondContact CA-O 3.35Å
333	N	94.8	Very high	95.7	Very high	121 Å²	121	39.1 Å²	39.1	65%	0.647	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	166.5	161.1	-74	-32.2	0	0	0	110	Y344	N333-Y344 PolarHBondContact N-O 3.27Å; N333-Y344 PolarHBondContact O-N 3.04Å
334	Y	94.5	Very high	95.5	Very high	78 Å²	78	41.1 Å²	41.1	31%	0.306	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152	174.7	65.9	-88.5	0	0	0	111	Y332 L337 F342 K400	Y332-Y334 HydrophobicContact CD2-CD1 4.48Å; Y332-Y334 AromaticContact CE2-CD1 3.98Å; Y332-Y334 HydrophobicContact CE2-CD1 3.98Å; Y334-L337 HydrophobicContact CD1-CD1 4.04Å; Y334-L337 HydrophobicContact CD1-CG 4.45Å; Y334-L337 HydrophobicContact CD2-CB 4.34Å; Y334-L337 HydrophobicContact CD2-CD1 3.82Å; Y334-L337 HydrophobicContact CD2-CG 3.54Å; Y334-L337 HydrophobicContact CE1-CD1 3.89Å; Y334-L337 HydrophobicContact CE2-CB 4.29Å; Y334-L337 HydrophobicContact CE2-CD1 3.64Å; Y334-L337 HydrophobicContact CE2-CG 3.76Å; Y334-L337 HydrophobicContact CG-CD1 3.99Å; Y334-L337 HydrophobicContact CG-CG 3.91Å; Y334-F342 WeakPolarHBondContact CA-O 3.24Å; Y334-F342 WeakPolarHBondContact CB-O 3.36Å; Y334-K400 HydrophobicContact CE1-CD 4.4Å
335	T	92.5	Very high	95.5	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-26.5	169.8	54.7	0	0	0	0	112.4	S154 L156 F342 Y344	S154-T335 WeakPolarHBondContact CB-O 3.36Å; S154-T335 WeakPolarHBondContact O-CB 3.44Å; S154-T335 PolarHBondContact O-OG1 2.93Å; L156-T335 HydrophobicContact CB-CG2 4.15Å; L156-T335 HydrophobicContact CD1-CG2 3.72Å; L156-T335 HydrophobicContact CG-CG2 3.56Å; T335-F342 PolarHBondContact N-O 3.37Å; T335-Y344 HydrophobicContact CG2-CD2 4.48Å; T335-Y344 HydrophobicContact CG2-CE2 3.63Å
336	Q	92.5	Very high	95.5	Very high	40 Å²	40	33.9 Å²	33.9	19%	0.187	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.1	-176.6	-173.5	74.4	54.8	0	0	108.8	M340 G341 F342	Q336-M340 HydrophobicContact CG-CG 4.02Å; Q336-M340 HydrophobicContact CG-SD 3.67Å; Q336-G341 WeakPolarHBondContact O-CA 2.97Å; Q336-F342 HydrophobicContact CB-CB 4.21Å; Q336-F342 HydrophobicContact CB-CD2 3.9Å; Q336-F342 HydrophobicContact CB-CG 4.13Å; Q336-F342 PolarHBondContact O-N 2.93Å
337	L	95.5	Very high	95.5	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	21%	0.208	C	C	.	.			trans	-134.5	-168.1	163.9	-74.9	-179.3	0	0	0	108.2	L323 Y334 M340 L343 I398 K400 Y406	L323-L337 HydrophobicContact CD1-CD1 4.4Å; L323-L337 HydrophobicContact CD1-CD2 3.9Å; Y334-L337 HydrophobicContact CD1-CD1 4.04Å; Y334-L337 HydrophobicContact CD1-CG 4.45Å; Y334-L337 HydrophobicContact CD2-CB 4.34Å; Y334-L337 HydrophobicContact CD2-CD1 3.82Å; Y334-L337 HydrophobicContact CD2-CG 3.54Å; Y334-L337 HydrophobicContact CE1-CD1 3.89Å; Y334-L337 HydrophobicContact CE2-CB 4.29Å; Y334-L337 HydrophobicContact CE2-CD1 3.64Å; Y334-L337 HydrophobicContact CE2-CG 3.76Å; Y334-L337 HydrophobicContact CG-CD1 3.99Å; Y334-L337 HydrophobicContact CG-CG 3.91Å; L337-M340 CarbonylContact C-O 3.54Å; L337-M340 WeakPolarHBondContact CA-O 3.43Å; L337-L343 HydrophobicContact CD2-CD1 4.05Å; L337-I398 HydrophobicContact CD2-CB 4.47Å; L337-I398 HydrophobicContact CD2-CG2 3.87Å; L337-K400 HydrophobicContact CD1-CB 4.25Å; L337-Y406 HydrophobicContact CB-CE2 4.21Å; L337-Y406 WeakPolarHBondContact CD1-OH 3.45Å
338	S	95.2	Very high	95.5	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.063	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	88.4	-113.7	-168.5	-135.6	0	0	0	0	113.2	I398 D412	S338-I398 WeakPolarHBondContact CA-O 3.42Å; S338-I398 PolarHBondContact N-O 3.24Å; S338-I398 WeakPolarHBondContact O-CA 3.27Å; S338-I398 WeakPolarHBondContact O-CB 3.34Å; S338-I398 WeakPolarHBondContact O-CG1 3.37Å; S338-I398 PolarHBondContact O-N 2.96Å; S338-D412 VanDerWaalsContact CB-OD2 3.26Å; S338-D412 WeakPolarHBondContact CB-OD2 3.19Å; S338-D412 PolarHBondContact OG-OD2 3.04Å
339	T	96.4	Very high	95.6	Very high	3 Å²	3	40 Å²	40	2%	0.018	24%	0.242	C	C	.	.	S	Bend	trans	-75.4	-28.4	-175.5	59.2	0	0	0	0	113.5	A392 D412 H413 G414 Y415	T339-A392 VanDerWaalsContact O-CB 3.27Å; T339-A392 WeakPolarHBondContact O-CB 3.33Å; T339-A392 PolarHBondContact O-N 2.76Å; T339-D412 HydrophobicContact CG2-CB 3.95Å; T339-D412 VanDerWaalsContact CG2-CG 3.48Å; T339-D412 WeakPolarHBondContact CG2-OD2 3.36Å; T339-H413 WeakPolarHBondContact CB-O 3.45Å; T339-H413 WeakPolarHBondContact CG2-O 3.49Å; T339-H413 PolarHBondContact OG1-O 3.07Å; T339-G414 VanDerWaalsContact OG1-CA 3.3Å; T339-G414 WeakPolarHBondContact OG1-CA 3.43Å; T339-Y415 HydrophobicContact CG2-CD1 4.21Å; T339-Y415 HydrophobicContact CG2-CD2 4.12Å; T339-Y415 HydrophobicContact CG2-CE1 3.7Å; T339-Y415 HydrophobicContact CG2-CE2 3.56Å; T339-Y415 HydrophobicContact CG2-CG 4.42Å
340	M	94.7	Very high	95.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.1	167.9	74.2	-68.6	-63	0	0	111.1	P129 I131 Q336 L337 F342 L390 G414	P129-M340 HydrophobicContact CB-CE 3.45Å; P129-M340 VanDerWaalsContact CB-CE 3.45Å; I131-M340 HydrophobicContact CD1-CE 4.41Å; I131-M340 HydrophobicContact CD1-SD 4.21Å; I131-M340 HydrophobicContact CG2-CE 3.82Å; I131-M340 HydrophobicContact CG2-SD 4.26Å; Q336-M340 HydrophobicContact CG-CG 4.02Å; Q336-M340 HydrophobicContact CG-SD 3.67Å; L337-M340 CarbonylContact C-O 3.54Å; L337-M340 WeakPolarHBondContact CA-O 3.43Å; M340-F342 HydrophobicContact CB-CE1 4.37Å; M340-F342 HydrophobicContact CG-CD1 4.27Å; M340-F342 HydrophobicContact CG-CE1 3.77Å; M340-F342 HydrophobicContact CG-CZ 4Å; M340-L390 CarbonylContact C-O 3.59Å; M340-L390 WeakPolarHBondContact CA-O 3.42Å; M340-L390 WeakPolarHBondContact CB-O 3.28Å; M340-G414 VanDerWaalsContact CE-C 3.48Å; M340-G414 WeakPolarHBondContact CE-O 3.36Å
341	G	95.5	Very high	95.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.3	174.9	0	0	0	0	0	111.6	Q336 I389 L390	Q336-G341 WeakPolarHBondContact O-CA 2.97Å; G341-I389 WeakPolarHBondContact O-CA 3.27Å; G341-L390 PolarHBondContact N-O 3.09Å; G341-L390 PolarHBondContact O-N 2.96Å
342	F	95	Very high	95.9	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	96.9	174.3	-67.6	-11.9	0	0	0	109	P129 V151 Y334 T335 Q336 M340 Y344 F378 P386 I389	P129-F342 HydrophobicContact CG-CZ 4.23Å; V151-F342 HydrophobicContact CG2-CE2 4.29Å; V151-F342 WeakPolarHBondContact O-CE2 3.24Å; V151-F342 WeakPolarHBondContact O-CZ 3.33Å; Y334-F342 WeakPolarHBondContact CA-O 3.24Å; Y334-F342 WeakPolarHBondContact CB-O 3.36Å; T335-F342 PolarHBondContact N-O 3.37Å; Q336-F342 HydrophobicContact CB-CB 4.21Å; Q336-F342 HydrophobicContact CB-CD2 3.9Å; Q336-F342 HydrophobicContact CB-CG 4.13Å; Q336-F342 PolarHBondContact O-N 2.93Å; M340-F342 HydrophobicContact CB-CE1 4.37Å; M340-F342 HydrophobicContact CG-CD1 4.27Å; M340-F342 HydrophobicContact CG-CE1 3.77Å; M340-F342 HydrophobicContact CG-CZ 4Å; F342-Y344 HydrophobicContact CB-CE2 4.44Å; F342-Y344 WeakPolarHBondContact O-CE2 3.27Å; F342-F378 HydrophobicContact CE1-CE1 4.05Å; F342-F378 AromaticContact CE1-CZ 3.81Å; F342-F378 HydrophobicContact CE1-CZ 3.81Å; F342-F378 HydrophobicContact CE2-CZ 4.31Å; F342-F378 HydrophobicContact CZ-CE1 4.19Å; F342-F378 HydrophobicContact CZ-CE2 4.27Å; F342-F378 AromaticContact CZ-CZ 3.47Å; F342-F378 HydrophobicContact CZ-CZ 3.47Å; F342-F378 VanDerWaalsContact CZ-CZ 3.47Å; F342-P386 HydrophobicContact CB-CB 3.8Å; F342-P386 HydrophobicContact CB-CG 3.85Å; F342-P386 HydrophobicContact CD1-CB 4.49Å; F342-P386 HydrophobicContact CD1-CG 3.63Å; F342-P386 HydrophobicContact CD2-CG 4.25Å; F342-P386 HydrophobicContact CE1-CG 4.23Å; F342-P386 HydrophobicContact CG-CB 4.18Å; F342-P386 HydrophobicContact CG-CG 3.65Å; F342-I389 HydrophobicContact CE1-CG2 4.3Å
343	L	96	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.4	-170.6	-85.3	63.5	0	0	0	111.2	L323 Y332 L337 V353 L357 P387 L388 L390	L323-L343 HydrophobicContact CD1-CD2 4.47Å; Y332-L343 HydrophobicContact CD2-CD2 3.91Å; Y332-L343 HydrophobicContact CD2-CG 3.77Å; Y332-L343 HydrophobicContact CE2-CD2 4.15Å; Y332-L343 HydrophobicContact CE2-CG 4.15Å; Y332-L343 HydrophobicContact CG-CD2 4.3Å; Y332-L343 HydrophobicContact CG-CG 4.5Å; L337-L343 HydrophobicContact CD2-CD1 4.05Å; L343-V353 HydrophobicContact CD2-CG1 4.49Å; L343-L357 HydrophobicContact CD2-CD1 3.63Å; L343-P387 WeakPolarHBondContact O-CD 3.45Å; L343-P387 VanDerWaalsContact O-CG 3.23Å; L343-P387 WeakPolarHBondContact O-CG 3.45Å; L343-L388 HydrophobicContact CB-CB 4.05Å; L343-L388 PolarHBondContact N-O 2.91Å; L343-L388 PolarHBondContact O-N 3.48Å; L343-L390 HydrophobicContact CD1-CD1 4.03Å; L343-L390 HydrophobicContact CD1-CD2 3.96Å; L343-L390 HydrophobicContact CD1-CG 4.48Å; L343-L390 HydrophobicContact CD2-CD1 3.91Å; L343-L390 HydrophobicContact CD2-CD2 3.96Å; L343-L390 HydrophobicContact CG-CD1 4.37Å
344	Y	95.1	Very high	96.2	Very high	41 Å²	41	36.4 Å²	36.4	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	90.6	178.2	-58.6	-96.2	0	0	0	108.2	L156 Y332 N333 T335 F342 P386 P387	L156-Y344 HydrophobicContact CB-CE1 4.02Å; L156-Y344 HydrophobicContact CD1-CD1 4Å; L156-Y344 HydrophobicContact CD1-CD2 3.91Å; L156-Y344 HydrophobicContact CD1-CE1 3.88Å; L156-Y344 HydrophobicContact CD1-CE2 3.82Å; L156-Y344 HydrophobicContact CD1-CG 4.01Å; Y332-Y344 WeakPolarHBondContact CA-O 3.35Å; N333-Y344 PolarHBondContact N-O 3.27Å; N333-Y344 PolarHBondContact O-N 3.04Å; T335-Y344 HydrophobicContact CG2-CD2 4.48Å; T335-Y344 HydrophobicContact CG2-CE2 3.63Å; F342-Y344 HydrophobicContact CB-CE2 4.44Å; F342-Y344 WeakPolarHBondContact O-CE2 3.27Å; Y344-P386 HydrophobicContact CE1-CB 4.3Å; Y344-P386 HydrophobicContact CE2-CB 4.29Å; Y344-P387 HydrophobicContact CD1-CG 4.15Å
345	P	97.1	Very high	96.3	Very high	24 Å²	24	39.7 Å²	39.7	16%	0.156	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	144.9	176.6	-28.3	37.9	0	0	0	112.5	F350 V353 L388	P345-F350 HydrophobicContact CB-CB 4.31Å; P345-F350 HydrophobicContact CG-CB 4.49Å; P345-F350 HydrophobicContact CG-CD2 3.93Å; P345-V353 HydrophobicContact CB-CB 4.25Å; P345-V353 HydrophobicContact CB-CG2 3.91Å; P345-V353 HydrophobicContact CG-CB 4.04Å; P345-V353 HydrophobicContact CG-CG1 4.09Å; P345-V353 HydrophobicContact CG-CG2 4.23Å; P345-L388 HydrophobicContact CG-CD1 3.58Å; P345-L388 HydrophobicContact CG-CG 4.14Å
346	A	96.9	Very high	96.6	Very high	31 Å²	31	44.6 Å²	44.6	26%	0.256	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-59.4	158	172.4	0	0	0	0	0	111.3	L331 G348 K349	L331-A346 PolarHBondContact O-N 2.94Å; A346-G348 PolarHBondContact O-N 3.37Å; A346-K349 HydrophobicContact CB-CB 4.21Å; A346-K349 HydrophobicContact CB-CG 3.95Å; A346-K349 WeakPolarHBondContact O-CB 3.29Å; A346-K349 PolarHBondContact O-N 3.39Å
347	P	96.2	Very high	96.9	Very high	136 Å²	136	42.7 Å²	42.7	88%	0.883	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	128.4	179.1	-28.1	35.8	0	0	0	112.5	K349	P347-K349 PolarHBondContact O-N 3.44Å
348	G	97.6	Very high	97	Very high	86 Å²	86	46 Å²	46	89%	0.887	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	-0.4	-178.4	0	0	0	0	0	115.7	A346	A346-G348 PolarHBondContact O-N 3.37Å
349	K	98.1	Very high	96.9	Very high	73 Å²	73	50.9 Å²	50.9	32%	0.317	28%	0.28	S	S	.	.			trans	-99.1	-3.7	-176.9	-60.9	-54.3	-161.5	165.9	0	115	L331 A346 P347 E351 E352 V353	L331-K349 HydrophobicContact CD2-CD 4.13Å; L331-K349 HydrophobicContact CD2-CG 4.09Å; A346-K349 HydrophobicContact CB-CB 4.21Å; A346-K349 HydrophobicContact CB-CG 3.95Å; A346-K349 WeakPolarHBondContact O-CB 3.29Å; A346-K349 PolarHBondContact O-N 3.39Å; P347-K349 PolarHBondContact O-N 3.44Å; K349-E351 PolarHBondContact O-N 3.34Å; K349-E352 WeakPolarHBondContact CD-OE2 3.3Å; K349-E352 IonicContact NZ-OE2 3.52Å; K349-E352 PolarHBondContact NZ-OE2 3.35Å; K349-E352 WeakPolarHBondContact O-CB 3.19Å; K349-E352 PolarHBondContact O-N 3.49Å; K349-E352 VanDerWaalsContact O-N 3.11Å; K349-V353 HydrophobicContact CB-CG2 4.27Å; K349-V353 VanDerWaalsContact O-CG2 3.3Å; K349-V353 WeakPolarHBondContact O-CG2 3.22Å; K349-V353 PolarHBondContact O-N 3.01Å
350	F	98.2	Very high	96.9	Very high	63 Å²	63	51.7 Å²	51.7	28%	0.276	29%	0.287	S	S	.	.	H	α-helix	trans	-49.6	-54.4	-174.9	-176.8	-87.4	0	0	0	113.8	P345 E352 V353 Y354 R368 P387 L388	P345-F350 HydrophobicContact CB-CB 4.31Å; P345-F350 HydrophobicContact CG-CB 4.49Å; P345-F350 HydrophobicContact CG-CD2 3.93Å; F350-E352 VanDerWaalsContact C-N 3.34Å; F350-E352 PolarHBondContact O-N 3.35Å; F350-V353 PolarHBondContact O-N 2.86Å; F350-Y354 WeakPolarHBondContact O-CB 3.25Å; F350-Y354 PolarHBondContact O-N 2.86Å; F350-R368 HydrophobicContact CE1-CG 4.27Å; F350-R368 HydrophobicContact CZ-CB 4.47Å; F350-R368 HydrophobicContact CZ-CG 4.03Å; F350-P387 HydrophobicContact CD2-CB 4.4Å; F350-P387 HydrophobicContact CE2-CB 3.95Å; F350-L388 HydrophobicContact CD2-CD2 4.49Å; F350-L388 HydrophobicContact CD2-CG 4.25Å; F350-L388 HydrophobicContact CE1-CD2 4.33Å; F350-L388 HydrophobicContact CE2-CD1 4.38Å; F350-L388 HydrophobicContact CE2-CD2 3.58Å; F350-L388 HydrophobicContact CE2-CG 3.63Å; F350-L388 HydrophobicContact CZ-CD2 3.49Å; F350-L388 VanDerWaalsContact CZ-CD2 3.49Å; F350-L388 HydrophobicContact CZ-CG 4.1Å
351	E	98.1	Very high	97.1	Very high	76 Å²	76	53.3 Å²	53.3	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-34.2	-178.3	-71.8	-61.2	146.9	0	0	112.9	K349 K355 R368	K349-E351 PolarHBondContact O-N 3.34Å; E351-K355 WeakPolarHBondContact O-CB 3.48Å; E351-K355 VanDerWaalsContact O-CG 3.24Å; E351-K355 WeakPolarHBondContact O-CG 3.48Å; E351-K355 PolarHBondContact O-N 3.27Å; E351-R368 IonicContact OE1-CZ 3.57Å; E351-R368 IonicContact OE1-NH1 3.91Å; E351-R368 IonicContact OE1-NH2 2.8Å; E351-R368 PolarHBondContact OE1-NH2 3.21Å; E351-R368 IonicContact OE2-NH2 3.26Å; E351-R368 PolarHBondContact OE2-NH2 3.06Å
352	E	97.9	Very high	97.2	Very high	58 Å²	58	58.6 Å²	58.6	27%	0.271	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-48.5	175.4	-177.5	176	-178.2	0	0	110.3	K349 F350 R356	K349-E352 WeakPolarHBondContact CD-OE2 3.3Å; K349-E352 IonicContact NZ-OE2 3.52Å; K349-E352 PolarHBondContact NZ-OE2 3.35Å; K349-E352 WeakPolarHBondContact O-CB 3.19Å; K349-E352 PolarHBondContact O-N 3.49Å; K349-E352 VanDerWaalsContact O-N 3.11Å; F350-E352 VanDerWaalsContact C-N 3.34Å; F350-E352 PolarHBondContact O-N 3.35Å; E352-R356 WeakPolarHBondContact O-CB 3.45Å; E352-R356 WeakPolarHBondContact O-CG 3.48Å; E352-R356 PolarHBondContact O-N 3.24Å; E352-R356 VanDerWaalsContact O-N 3.13Å; E352-R356 IonicContact OE1-CZ 3.45Å; E352-R356 IonicContact OE1-NE 3.41Å; E352-R356 IonicContact OE1-NH2 3.43Å; E352-R356 PolarHBondContact OE1-NH2 2.88Å
353	V	98.3	Very high	97.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-48.6	178.1	177.2	0	0	0	0	111.3	I327 L331 L343 P345 K349 F350 R356 L357 L388	I327-V353 HydrophobicContact CD1-CB 3.75Å; I327-V353 HydrophobicContact CD1-CG1 3.68Å; I327-V353 HydrophobicContact CD1-CG2 3.54Å; L331-V353 HydrophobicContact CB-CG2 4.1Å; L343-V353 HydrophobicContact CD2-CG1 4.49Å; P345-V353 HydrophobicContact CB-CB 4.25Å; P345-V353 HydrophobicContact CB-CG2 3.91Å; P345-V353 HydrophobicContact CG-CB 4.04Å; P345-V353 HydrophobicContact CG-CG1 4.09Å; P345-V353 HydrophobicContact CG-CG2 4.23Å; K349-V353 HydrophobicContact CB-CG2 4.27Å; K349-V353 VanDerWaalsContact O-CG2 3.3Å; K349-V353 WeakPolarHBondContact O-CG2 3.22Å; K349-V353 PolarHBondContact O-N 3.01Å; F350-V353 PolarHBondContact O-N 2.86Å; V353-R356 PolarHBondContact O-N 2.8Å; V353-L357 HydrophobicContact CG1-CD1 3.8Å; V353-L357 WeakPolarHBondContact O-CB 3.4Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 2.87Å; V353-L357 VanDerWaalsContact O-N 3.16Å; V353-L388 HydrophobicContact CB-CD1 4.19Å; V353-L388 HydrophobicContact CG1-CD1 3.66Å
354	Y	98.4	Very high	97.5	Very high	22 Å²	22	63.2 Å²	63.2	9%	0.086	35%	0.349	C	S	.	.	H	α-helix	trans	-59.1	-51.6	-179.8	177.8	-106.7	0	0	0	111.9	F350 R356 L357 K358 V366 R368 E371 L388	F350-Y354 WeakPolarHBondContact O-CB 3.25Å; F350-Y354 PolarHBondContact O-N 2.86Å; Y354-R356 PolarHBondContact O-N 3.02Å; Y354-L357 PolarHBondContact O-N 3.22Å; Y354-K358 HydrophobicContact CE2-CD 3.95Å; Y354-K358 WeakPolarHBondContact O-CB 3.09Å; Y354-K358 PolarHBondContact O-N 3.09Å; Y354-K358 WeakPolarHBondContact OH-CE 3.37Å; Y354-K358 PolarHBondContact OH-NZ 3.07Å; Y354-V366 HydrophobicContact CD2-CG1 4.11Å; Y354-V366 HydrophobicContact CE2-CG1 4.35Å; Y354-R368 HydrophobicContact CD2-CG 3.97Å; Y354-R368 HydrophobicContact CE2-CG 3.6Å; Y354-E371 VanDerWaalsContact OH-CD 3.27Å; Y354-E371 PolarHBondContact OH-OE1 3.4Å; Y354-E371 VanDerWaalsContact OH-OE1 3.07Å; Y354-E371 PolarHBondContact OH-OE2 3.22Å; Y354-L388 HydrophobicContact CD2-CD2 3.67Å; Y354-L388 HydrophobicContact CG-CD2 4.36Å
355	K	97.9	Very high	97.6	Very high	147 Å²	147	63.2 Å²	63.2	64%	0.639	35%	0.352	S	S	*	.	H	α-helix	trans	-64.7	-39.1	-176.8	-72.2	175.2	-176.2	178.9	0	112.7	E351 L357	E351-K355 WeakPolarHBondContact O-CB 3.48Å; E351-K355 VanDerWaalsContact O-CG 3.24Å; E351-K355 WeakPolarHBondContact O-CG 3.48Å; E351-K355 PolarHBondContact O-N 3.27Å; K355-L357 VanDerWaalsContact C-N 3.31Å; K355-L357 PolarHBondContact O-N 2.65Å
356	R	97.7	Very high	97.6	Very high	120 Å²	120	62.1 Å²	62.1	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-36.3	177	-73	-169.9	-170.7	-153	9.8	112.2	Y326 E352 V353 Y354 A360	Y326-R356 WeakPolarHBondContact O-CD 3.05Å; E352-R356 WeakPolarHBondContact O-CB 3.45Å; E352-R356 WeakPolarHBondContact O-CG 3.48Å; E352-R356 PolarHBondContact O-N 3.24Å; E352-R356 VanDerWaalsContact O-N 3.13Å; E352-R356 IonicContact OE1-CZ 3.45Å; E352-R356 IonicContact OE1-NE 3.41Å; E352-R356 IonicContact OE1-NH2 3.43Å; E352-R356 PolarHBondContact OE1-NH2 2.88Å; V353-R356 PolarHBondContact O-N 2.8Å; Y354-R356 PolarHBondContact O-N 3.02Å; R356-A360 WeakPolarHBondContact O-CB 3.26Å
357	L	98.3	Very high	97.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-88.6	-31	-175.6	-65.8	175.7	0	0	0	113.9	L323 I327 L343 V353 Y354 K355 S359 A360 V366 L390	L323-L357 HydrophobicContact CD2-CD2 3.88Å; I327-L357 HydrophobicContact CG2-CD2 3.83Å; I327-L357 HydrophobicContact CG2-CG 4.37Å; L343-L357 HydrophobicContact CD2-CD1 3.63Å; V353-L357 HydrophobicContact CG1-CD1 3.8Å; V353-L357 WeakPolarHBondContact O-CB 3.4Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 2.87Å; V353-L357 VanDerWaalsContact O-N 3.16Å; Y354-L357 PolarHBondContact O-N 3.22Å; K355-L357 VanDerWaalsContact C-N 3.31Å; K355-L357 PolarHBondContact O-N 2.65Å; L357-S359 PolarHBondContact O-N 3.44Å; L357-A360 WeakPolarHBondContact O-CB 3.36Å; L357-A360 PolarHBondContact O-N 2.92Å; L357-V366 HydrophobicContact CB-CG1 4.3Å; L357-V366 HydrophobicContact CB-CG2 3.97Å; L357-V366 WeakPolarHBondContact O-CG2 3.45Å; L357-L390 HydrophobicContact CD1-CD2 4.31Å
358	K	97.7	Very high	97.6	Very high	76 Å²	76	59.2 Å²	59.2	33%	0.33	31%	0.31	S	S	.	.	H	α-helix	trans	-52.1	-32.7	-171.1	-173.5	64.6	173.5	-161.2	0	115	Y354 V366 E371	Y354-K358 HydrophobicContact CE2-CD 3.95Å; Y354-K358 WeakPolarHBondContact O-CB 3.09Å; Y354-K358 PolarHBondContact O-N 3.09Å; Y354-K358 WeakPolarHBondContact OH-CE 3.37Å; Y354-K358 PolarHBondContact OH-NZ 3.07Å; K358-V366 HydrophobicContact CD-CB 4.19Å; K358-V366 VanDerWaalsContact CD-O 3.22Å; K358-V366 WeakPolarHBondContact CD-O 3.16Å; K358-V366 WeakPolarHBondContact CE-O 3.32Å; K358-V366 PolarHBondContact NZ-O 2.87Å; K358-E371 IonicContact NZ-OE2 3.02Å; K358-E371 PolarHBondContact NZ-OE2 3.13Å
359	S	93.9	Very high	97.3	Very high	112 Å²	112	59 Å²	59	78%	0.783	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	20.2	176.9	-54.4	0	0	0	0	112.7	L357 H361	L357-S359 PolarHBondContact O-N 3.44Å; S359-H361 VanDerWaalsContact C-N 3.27Å; S359-H361 PolarHBondContact O-N 3.4Å
360	A	97.2	Very high	96.9	Very high	20 Å²	20	61 Å²	61	17%	0.165	30%	0.296	C	S	.	.	S	Bend	trans	-61.4	-34.5	-176.4	0	0	0	0	0	113.1	Y326 R356 L357	Y326-A360 HydrophobicContact CD1-CB 3.72Å; Y326-A360 HydrophobicContact CD2-CB 3.88Å; Y326-A360 HydrophobicContact CE1-CB 4.09Å; Y326-A360 WeakPolarHBondContact CE1-O 3.47Å; Y326-A360 HydrophobicContact CE2-CB 4.23Å; Y326-A360 HydrophobicContact CG-CB 3.6Å; Y326-A360 PolarHBondContact OH-O 2.85Å; R356-A360 WeakPolarHBondContact O-CB 3.26Å; L357-A360 WeakPolarHBondContact O-CB 3.36Å; L357-A360 PolarHBondContact O-N 2.92Å
361	H	98.2	Very high	96.7	Very high	34 Å²	34	61.3 Å²	61.3	16%	0.157	30%	0.299	C	S	.	.			trans	-150	137.2	-175.5	-167.3	-90.6	0	0	0	111.7	I321 S359 K363 L364 W396	I321-H361 HydrophobicContact CG1-CB 4.47Å; I321-H361 HydrophobicContact CG2-CB 4.14Å; S359-H361 VanDerWaalsContact C-N 3.27Å; S359-H361 PolarHBondContact O-N 3.4Å; H361-K363 WeakPolarHBondContact ND1-CB 3.35Å; H361-K363 PolarHBondContact ND1-N 2.98Å; H361-K363 VanDerWaalsContact ND1-N 3.13Å; H361-K363 PolarHBondContact O-N 3.07Å; H361-L364 HydrophobicContact CB-CB 4.05Å; H361-L364 PolarHBondContact O-N 2.77Å; H361-W396 AromaticContact CE1-CE3 3.75Å; H361-W396 AromaticContact CE1-CH2 3.68Å; H361-W396 AromaticContact CE1-CZ3 3.32Å; H361-W396 WeakPolarHBondContact CE1-CZ3 3.48Å; H361-W396 AromaticContact NE2-CZ3 3.67Å
362	P	97.6	Very high	96.5	Very high	111 Å²	111	57.9 Å²	57.9	72%	0.721	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.4	-177	27.4	-37.3	0	0	0	114.8
363	K	98	Very high	96.3	Very high	89 Å²	89	56.6 Å²	56.6	39%	0.387	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	13.5	178.7	-53.1	-67.7	-178.1	-171.1	0	112.9	I321 H361 K393 W396	I321-K363 HydrophobicContact CD1-CB 4.42Å; I321-K363 WeakPolarHBondContact CD1-O 3.26Å; H361-K363 WeakPolarHBondContact ND1-CB 3.35Å; H361-K363 PolarHBondContact ND1-N 2.98Å; H361-K363 VanDerWaalsContact ND1-N 3.13Å; H361-K363 PolarHBondContact O-N 3.07Å; K363-K393 HydrophobicContact CB-CB 4.22Å; K363-K393 HydrophobicContact CB-CG 4.21Å; K363-K393 HydrophobicContact CD-CB 4.25Å; K363-K393 HydrophobicContact CD-CG 4.21Å; K363-K393 PolarHBondContact O-N 2.96Å; K363-W396 HydrophobicContact CB-CD2 3.76Å; K363-W396 HydrophobicContact CB-CE3 4.26Å; K363-W396 HydrophobicContact CB-CG 3.85Å; K363-W396 HydrophobicContact CG-CD2 3.91Å; K363-W396 HydrophobicContact CG-CG 4.27Å; K363-W396 HydrophobicContact CG-CH2 4.42Å; K363-W396 HydrophobicContact CG-CZ2 3.82Å
364	L	98.4	Very high	96	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.6	177.6	-178.8	66.3	0	0	0	108.7	I321 H361 V366 L390 I398	I321-L364 HydrophobicContact CD1-CB 4.06Å; I321-L364 HydrophobicContact CD1-CD1 4.36Å; I321-L364 HydrophobicContact CG2-CB 4.39Å; I321-L364 HydrophobicContact CG2-CD2 4.11Å; H361-L364 HydrophobicContact CB-CB 4.05Å; H361-L364 PolarHBondContact O-N 2.77Å; L364-V366 HydrophobicContact CD2-CG2 3.8Å; L364-V366 HydrophobicContact CG-CG2 3.82Å; L364-L390 HydrophobicContact CD1-CB 3.93Å; L364-L390 HydrophobicContact CD1-CD2 4.19Å; L364-L390 HydrophobicContact CD1-CG 4.07Å; L364-L390 HydrophobicContact CD2-CD2 4.35Å; L364-I398 HydrophobicContact CD1-CD1 3.59Å; L364-I398 HydrophobicContact CD1-CG1 3.94Å
365	D	97.8	Very high	95.8	Very high	41 Å²	41	65.1 Å²	65.1	22%	0.219	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.1	162.2	-54.7	-42.2	0	0	0	108.9	Y367 L390 I391 K393	D365-Y367 HydrophobicContact CB-CD2 4.3Å; D365-Y367 HydrophobicContact CB-CE2 3.4Å; D365-Y367 VanDerWaalsContact CB-CE2 3.4Å; D365-L390 CarbonylContact O-C 3.59Å; D365-L390 WeakPolarHBondContact O-CA 3.5Å; D365-I391 HydrophobicContact CB-CB 4.47Å; D365-I391 PolarHBondContact N-O 2.79Å; D365-I391 PolarHBondContact O-N 3.2Å; D365-K393 VanDerWaalsContact OD1-CE 3.29Å; D365-K393 WeakPolarHBondContact OD1-CE 3.5Å; D365-K393 IonicContact OD1-NZ 2.7Å; D365-K393 PolarHBondContact OD1-NZ 3.38Å; D365-K393 WeakPolarHBondContact OD2-CE 3.37Å; D365-K393 IonicContact OD2-NZ 3.47Å; D365-K393 PolarHBondContact OD2-NZ 3.14Å
366	V	98.1	Very high	95.6	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.3	177.6	-174	0	0	0	0	108.2	Y354 L357 K358 L364 L390	Y354-V366 HydrophobicContact CD2-CG1 4.11Å; Y354-V366 HydrophobicContact CE2-CG1 4.35Å; L357-V366 HydrophobicContact CB-CG1 4.3Å; L357-V366 HydrophobicContact CB-CG2 3.97Å; L357-V366 WeakPolarHBondContact O-CG2 3.45Å; K358-V366 HydrophobicContact CD-CB 4.19Å; K358-V366 VanDerWaalsContact CD-O 3.22Å; K358-V366 WeakPolarHBondContact CD-O 3.16Å; K358-V366 WeakPolarHBondContact CE-O 3.32Å; K358-V366 PolarHBondContact NZ-O 2.87Å; L364-V366 HydrophobicContact CD2-CG2 3.8Å; L364-V366 HydrophobicContact CG-CG2 3.82Å; V366-L390 HydrophobicContact CG1-CD1 3.9Å; V366-L390 HydrophobicContact CG1-CG 4.45Å; V366-L390 HydrophobicContact CG2-CG 4.16Å
367	Y	96.6	Very high	95.3	Very high	41 Å²	41	54.9 Å²	54.9	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	-179.1	-58.2	-77.4	0	0	0	109.1	D365 E371 V372 P373 I389 I391	D365-Y367 HydrophobicContact CB-CD2 4.3Å; D365-Y367 HydrophobicContact CB-CE2 3.4Å; D365-Y367 VanDerWaalsContact CB-CE2 3.4Å; Y367-E371 HydrophobicContact CD1-CB 4.15Å; Y367-E371 WeakPolarHBondContact CD1-O 3.42Å; Y367-V372 HydrophobicContact CG-CG2 4.37Å; Y367-P373 HydrophobicContact CE1-CG 3.94Å; Y367-P373 HydrophobicContact CE2-CG 4.44Å; Y367-I389 PolarHBondContact N-O 2.95Å; Y367-I389 PolarHBondContact O-N 2.94Å; Y367-I391 HydrophobicContact CD2-CD1 4.04Å; Y367-I391 HydrophobicContact CD2-CG1 4.18Å; Y367-I391 HydrophobicContact CE2-CB 4.47Å; Y367-I391 HydrophobicContact CE2-CD1 3.83Å; Y367-I391 HydrophobicContact CE2-CG1 4.11Å
368	R	95.4	Very high	94.9	Very high	65 Å²	65	55 Å²	55	25%	0.245	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	154.5	150.5	-54.9	177.5	-178.9	-152	-12.6	107.8	F350 E351 Y354 D370 E371 V372 L388	F350-R368 HydrophobicContact CE1-CG 4.27Å; F350-R368 HydrophobicContact CZ-CB 4.47Å; F350-R368 HydrophobicContact CZ-CG 4.03Å; E351-R368 IonicContact OE1-CZ 3.57Å; E351-R368 IonicContact OE1-NH1 3.91Å; E351-R368 IonicContact OE1-NH2 2.8Å; E351-R368 PolarHBondContact OE1-NH2 3.21Å; E351-R368 IonicContact OE2-NH2 3.26Å; E351-R368 PolarHBondContact OE2-NH2 3.06Å; Y354-R368 HydrophobicContact CD2-CG 3.97Å; Y354-R368 HydrophobicContact CE2-CG 3.6Å; R368-D370 WeakPolarHBondContact CB-OD1 3.36Å; R368-D370 PolarHBondContact O-N 3.46Å; R368-D370 VanDerWaalsContact O-N 3.17Å; R368-E371 HydrophobicContact CB-CB 4.27Å; R368-E371 HydrophobicContact CB-CG 3.87Å; R368-E371 VanDerWaalsContact CD-OE1 3.26Å; R368-E371 WeakPolarHBondContact CD-OE1 3.15Å; R368-E371 HydrophobicContact CG-CG 4.25Å; R368-E371 WeakPolarHBondContact CG-OE2 3.19Å; R368-E371 PolarHBondContact N-OE2 3.08Å; R368-E371 VanDerWaalsContact N-OE2 3.09Å; R368-E371 IonicContact NE-OE1 3.54Å; R368-E371 WeakPolarHBondContact O-CA 3.41Å; R368-E371 WeakPolarHBondContact O-CB 3.25Å; R368-E371 PolarHBondContact O-N 2.7Å; R368-V372 PolarHBondContact O-N 3.3Å; R368-L388 HydrophobicContact CG-CD2 4.45Å
369	R	91.5	Very high	93.6	Very high	80 Å²	80	52.8 Å²	52.8	30%	0.302	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-48.2	-45.7	177.9	-175.9	177	59.4	167.9	8.9	112.9	E371 V372 N379 M385 P387 I389	R369-E371 VanDerWaalsContact C-N 3.26Å; R369-E371 PolarHBondContact O-N 3.1Å; R369-V372 WeakPolarHBondContact O-CG2 3.3Å; R369-V372 PolarHBondContact O-N 2.99Å; R369-N379 PolarHBondContact O-ND2 3Å; R369-N379 PolarHBondContact O-OD1 2.71Å; R369-M385 HydrophobicContact CG-CB 4.18Å; R369-P387 PolarHBondContact N-O 2.91Å; R369-P387 VanDerWaalsContact N-O 3.13Å; R369-I389 HydrophobicContact CB-CD1 4.01Å; R369-I389 HydrophobicContact CG-CD1 4.44Å
370	D	90.9	Very high	92.2	Very high	115 Å²	115	53 Å²	53	62%	0.615	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-72.3	-10.6	178.6	59.6	-33.1	0	0	0	114.8	R368 N379	R368-D370 WeakPolarHBondContact CB-OD1 3.36Å; R368-D370 PolarHBondContact O-N 3.46Å; R368-D370 VanDerWaalsContact O-N 3.17Å; D370-N379 WeakPolarHBondContact CA-ND2 3.41Å; D370-N379 VanDerWaalsContact CA-OD1 3.29Å; D370-N379 WeakPolarHBondContact CA-OD1 3.33Å; D370-N379 PolarHBondContact O-ND2 2.98Å
371	E	93.8	Very high	91.1	Very high	70 Å²	70	57.4 Å²	57.4	33%	0.327	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-99.7	-5.1	178.4	-64.9	173.6	170.8	0	0	113.4	Y354 K358 Y367 R368 R369	Y354-E371 VanDerWaalsContact OH-CD 3.27Å; Y354-E371 PolarHBondContact OH-OE1 3.4Å; Y354-E371 VanDerWaalsContact OH-OE1 3.07Å; Y354-E371 PolarHBondContact OH-OE2 3.22Å; K358-E371 IonicContact NZ-OE2 3.02Å; K358-E371 PolarHBondContact NZ-OE2 3.13Å; Y367-E371 HydrophobicContact CD1-CB 4.15Å; Y367-E371 WeakPolarHBondContact CD1-O 3.42Å; R368-E371 HydrophobicContact CB-CB 4.27Å; R368-E371 HydrophobicContact CB-CG 3.87Å; R368-E371 VanDerWaalsContact CD-OE1 3.26Å; R368-E371 WeakPolarHBondContact CD-OE1 3.15Å; R368-E371 HydrophobicContact CG-CG 4.25Å; R368-E371 WeakPolarHBondContact CG-OE2 3.19Å; R368-E371 PolarHBondContact N-OE2 3.08Å; R368-E371 VanDerWaalsContact N-OE2 3.09Å; R368-E371 IonicContact NE-OE1 3.54Å; R368-E371 WeakPolarHBondContact O-CA 3.41Å; R368-E371 WeakPolarHBondContact O-CB 3.25Å; R368-E371 PolarHBondContact O-N 2.7Å; R369-E371 VanDerWaalsContact C-N 3.26Å; R369-E371 PolarHBondContact O-N 3.1Å
372	V	93.5	Very high	90.2	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.024	30%	0.298	C	S	.	.	S	Bend	trans	-61.8	131.2	-178.7	178.9	0	0	0	0	109.3	Y367 R368 R369 A374 L376 F378 N379 I389	Y367-V372 HydrophobicContact CG-CG2 4.37Å; R368-V372 PolarHBondContact O-N 3.3Å; R369-V372 WeakPolarHBondContact O-CG2 3.3Å; R369-V372 PolarHBondContact O-N 2.99Å; V372-A374 PolarHBondContact O-N 2.97Å; V372-L376 HydrophobicContact CG1-CB 4.4Å; V372-L376 HydrophobicContact CG1-CD1 3.94Å; V372-F378 HydrophobicContact CG1-CB 4.2Å; V372-F378 HydrophobicContact CG1-CD1 4.32Å; V372-N379 HydrophobicContact CB-CB 4.33Å; V372-N379 PolarHBondContact O-ND2 2.66Å; V372-I389 HydrophobicContact CG2-CB 4.03Å; V372-I389 HydrophobicContact CG2-CD1 3.87Å; V372-I389 HydrophobicContact CG2-CG1 3.85Å; V372-I389 HydrophobicContact CG2-CG2 4.47Å
373	P	94	Very high	89.6	Confident	32 Å²	32	53 Å²	53	21%	0.208	28%	0.276	C	S	.	.			trans	-54.3	131.7	-178	-28.7	35.3	0	0	0	113.1	Y367 Y375 L376	Y367-P373 HydrophobicContact CE1-CG 3.94Å; Y367-P373 HydrophobicContact CE2-CG 4.44Å; P373-Y375 HydrophobicContact CB-CD1 3.5Å; P373-Y375 VanDerWaalsContact CB-CD1 3.5Å; P373-Y375 HydrophobicContact CB-CE1 3.41Å; P373-Y375 VanDerWaalsContact CB-CE1 3.41Å; P373-Y375 HydrophobicContact CG-CE1 4.15Å; P373-Y375 PolarHBondContact O-N 3.08Å; P373-Y375 VanDerWaalsContact O-N 3.12Å; P373-L376 WeakPolarHBondContact O-CB 3.41Å; P373-L376 PolarHBondContact O-N 3.43Å
374	A	92.2	Very high	89	Confident	85 Å²	85	49.4 Å²	49.4	70%	0.702	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-57.6	-32.1	-174.4	0	0	0	0	0	113.6	V372 L376 N377	V372-A374 PolarHBondContact O-N 2.97Å; A374-L376 PolarHBondContact O-N 3.46Å; A374-L376 VanDerWaalsContact O-N 3.1Å; A374-N377 PolarHBondContact O-N 2.85Å
375	Y	93.3	Very high	88.6	Confident	116 Å²	116	49.2 Å²	49.2	46%	0.455	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-63.3	-17.8	-179.8	81.6	-88.7	0	0	0	113.8	P373 N377	P373-Y375 HydrophobicContact CB-CD1 3.5Å; P373-Y375 VanDerWaalsContact CB-CD1 3.5Å; P373-Y375 HydrophobicContact CB-CE1 3.41Å; P373-Y375 VanDerWaalsContact CB-CE1 3.41Å; P373-Y375 HydrophobicContact CG-CE1 4.15Å; P373-Y375 PolarHBondContact O-N 3.08Å; P373-Y375 VanDerWaalsContact O-N 3.12Å; Y375-N377 VanDerWaalsContact C-N 3.35Å; Y375-N377 PolarHBondContact O-ND2 3.02Å
376	L	94	Very high	88.3	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-80.8	-12.5	175.6	-62.4	177.8	0	0	0	113.1	Y128 V372 P373 A374 F378 I391 P416	Y128-L376 HydrophobicContact CD1-CB 3.94Å; Y128-L376 HydrophobicContact CD1-CD1 4.09Å; Y128-L376 HydrophobicContact CD1-CD2 4.31Å; Y128-L376 HydrophobicContact CD1-CG 4.34Å; Y128-L376 HydrophobicContact CD2-CD2 4Å; Y128-L376 HydrophobicContact CE1-CD1 4.15Å; Y128-L376 HydrophobicContact CG-CB 4.12Å; Y128-L376 HydrophobicContact CG-CD1 4.35Å; Y128-L376 HydrophobicContact CG-CD2 3.79Å; Y128-L376 HydrophobicContact CG-CG 4.31Å; V372-L376 HydrophobicContact CG1-CB 4.4Å; V372-L376 HydrophobicContact CG1-CD1 3.94Å; P373-L376 WeakPolarHBondContact O-CB 3.41Å; P373-L376 PolarHBondContact O-N 3.43Å; A374-L376 PolarHBondContact O-N 3.46Å; A374-L376 VanDerWaalsContact O-N 3.1Å; L376-F378 VanDerWaalsContact C-N 3.32Å; L376-F378 HydrophobicContact CB-CB 4.27Å; L376-F378 PolarHBondContact O-N 2.8Å; L376-I391 HydrophobicContact CD1-CD1 3.65Å; L376-P416 HydrophobicContact CD2-CB 4.12Å
377	N	92.1	Very high	88	Confident	50 Å²	50	49.2 Å²	49.2	27%	0.267	26%	0.262	S	S	.	.			trans	49.4	48	-178.3	-52.4	-69.4	0	0	0	113.2	Y144 E146 A374 Y375	Y144-N377 HydrophobicContact CD1-CB 3.73Å; Y144-N377 HydrophobicContact CD2-CB 3.65Å; Y144-N377 HydrophobicContact CE1-CB 4.08Å; Y144-N377 HydrophobicContact CE2-CB 3.99Å; Y144-N377 HydrophobicContact CG-CB 3.52Å; E146-N377 WeakPolarHBondContact CG-O 3.43Å; A374-N377 PolarHBondContact O-N 2.85Å; Y375-N377 VanDerWaalsContact C-N 3.35Å; Y375-N377 PolarHBondContact O-ND2 3.02Å
378	F	88.9	Confident	88	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	25%	0.254	C	S	.	.			trans	-127	4.4	-167.6	-167.9	-102.9	0	0	0	114.8	Y128 P129 P145 V151 F342 V372 L376 M385 I389	Y128-F378 HydrophobicContact CD1-CB 4.01Å; Y128-F378 HydrophobicContact CD1-CD1 4.43Å; Y128-F378 AromaticContact CD1-CD2 3.98Å; Y128-F378 HydrophobicContact CD1-CD2 3.98Å; Y128-F378 AromaticContact CD1-CG 3.87Å; Y128-F378 HydrophobicContact CD1-CG 3.87Å; Y128-F378 HydrophobicContact CE1-CD1 4.19Å; Y128-F378 HydrophobicContact CE1-CD2 4.34Å; Y128-F378 HydrophobicContact CE1-CG 4.08Å; P129-F378 HydrophobicContact CG-CE2 4.28Å; P145-F378 HydrophobicContact CB-CD2 4.33Å; P145-F378 HydrophobicContact CB-CE2 4.42Å; V151-F378 HydrophobicContact CB-CE2 3.72Å; V151-F378 HydrophobicContact CB-CZ 3.86Å; V151-F378 HydrophobicContact CG1-CE2 4.13Å; V151-F378 HydrophobicContact CG1-CZ 4.45Å; F342-F378 HydrophobicContact CE1-CE1 4.05Å; F342-F378 AromaticContact CE1-CZ 3.81Å; F342-F378 HydrophobicContact CE1-CZ 3.81Å; F342-F378 HydrophobicContact CE2-CZ 4.31Å; F342-F378 HydrophobicContact CZ-CE1 4.19Å; F342-F378 HydrophobicContact CZ-CE2 4.27Å; F342-F378 AromaticContact CZ-CZ 3.47Å; F342-F378 HydrophobicContact CZ-CZ 3.47Å; F342-F378 VanDerWaalsContact CZ-CZ 3.47Å; V372-F378 HydrophobicContact CG1-CB 4.2Å; V372-F378 HydrophobicContact CG1-CD1 4.32Å; L376-F378 VanDerWaalsContact C-N 3.32Å; L376-F378 HydrophobicContact CB-CB 4.27Å; L376-F378 PolarHBondContact O-N 2.8Å; F378-M385 HydrophobicContact CD1-CE 4.48Å; F378-M385 HydrophobicContact CD1-SD 4.09Å; F378-M385 HydrophobicContact CD2-CE 3.87Å; F378-M385 HydrophobicContact CD2-SD 4.3Å; F378-M385 HydrophobicContact CE1-CE 4.47Å; F378-M385 HydrophobicContact CE1-SD 3.69Å; F378-M385 HydrophobicContact CE2-CE 3.86Å; F378-M385 HydrophobicContact CE2-SD 3.91Å; F378-M385 HydrophobicContact CG-CE 4.18Å; F378-M385 HydrophobicContact CG-SD 4.38Å; F378-M385 HydrophobicContact CZ-CE 4.17Å; F378-M385 HydrophobicContact CZ-SD 3.58Å; F378-M385 VanDerWaalsContact CZ-SD 3.58Å; F378-M385 WeakPolarHBondContact O-CE 3.15Å; F378-I389 HydrophobicContact CD1-CG1 4.4Å; F378-I389 HydrophobicContact CE1-CG1 3.92Å
379	N	69.5	Low	88	Confident	29 Å²	29	44.2 Å²	44.2	16%	0.155	24%	0.242	C	C	.	.			trans	-100.4	-33.3	-157.3	-177.4	-29.3	0	0	0	115.4	E146 R369 D370 V372	E146-N379 PolarHBondContact OE2-N 3.12Å; R369-N379 PolarHBondContact O-ND2 3Å; R369-N379 PolarHBondContact O-OD1 2.71Å; D370-N379 WeakPolarHBondContact CA-ND2 3.41Å; D370-N379 VanDerWaalsContact CA-OD1 3.29Å; D370-N379 WeakPolarHBondContact CA-OD1 3.33Å; D370-N379 PolarHBondContact O-ND2 2.98Å; V372-N379 HydrophobicContact CB-CB 4.33Å; V372-N379 PolarHBondContact O-ND2 2.66Å
380	I	66.1	Low	88.4	Confident	118 Å²	118	40.4 Å²	40.4	61%	0.605	23%	0.228	S	C	*	.	S	Bend	trans	-103.2	-24.7	-134.9	-42.5	177.3	0	0	0	119.4	E146	E146-I380 WeakPolarHBondContact OE2-CG1 3.45Å; E146-I380 PolarHBondContact OE2-N 2.59Å
381	T	72.7	Confident	88.7	Confident	111 Å²	111	35.1 Å²	35.1	68%	0.681	20%	0.2	S	C	*	.	S	Bend	trans	-148.3	-20.4	-169.7	54.3	0	0	0	0	118.4
382	S	80.3	Confident	88.9	Confident	17 Å²	17	31.8 Å²	31.8	12%	0.119	18%	0.184	C	C	.	.			trans	-69.1	138.5	-173.5	175.3	0	0	0	0	112.9	R384 M385	S382-R384 PolarHBondContact O-N 3.14Å; S382-R384 VanDerWaalsContact O-N 3.16Å; S382-R384 PolarHBondContact OG-N 2.94Å; S382-M385 PolarHBondContact O-N 3.1Å
383	S	83.9	Confident	89.1	Confident	37 Å²	37	35.2 Å²	35.2	26%	0.259	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17	172	58.4	0	0	0	0	113	D157	D157-S383 WeakPolarHBondContact OD1-CB 3.41Å; D157-S383 PolarHBondContact OD1-OG 3.04Å; D157-S383 PolarHBondContact OD2-OG 3.08Å
384	R	86.9	Confident	89.3	Confident	13 Å²	13	36 Å²	36	5%	0.049	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.2	-178.6	-58.4	166.8	-162	144.8	4.1	113.4	G149 V151 L156 D157 W178 W182 S382	G149-R384 WeakPolarHBondContact O-CD 3.06Å; G149-R384 PolarHBondContact O-NH1 3.21Å; V151-R384 WeakPolarHBondContact CG2-O 3.21Å; L156-R384 WeakPolarHBondContact O-CA 3.47Å; D157-R384 HydrophobicContact CB-CG 3.9Å; D157-R384 WeakPolarHBondContact OD2-CG 3.43Å; D157-R384 IonicContact OD2-CZ 3.47Å; D157-R384 IonicContact OD2-NE 3.9Å; D157-R384 PolarHBondContact OD2-NE 3.43Å; D157-R384 IonicContact OD2-NH2 2.61Å; W178-R384 PolarHBondContact O-NH2 3.19Å; W182-R384 VanDerWaalsContact NE1-CZ 3.32Å; S382-R384 PolarHBondContact O-N 3.14Å; S382-R384 VanDerWaalsContact O-N 3.16Å; S382-R384 PolarHBondContact OG-N 2.94Å
385	M	89	Confident	89.5	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.015	19%	0.191	C	C	.	.	S	Bend	trans	-69.9	128	173.7	-74.7	-64	178.7	0	0	110	E146 V151 R369 F378 S382	E146-M385 HydrophobicContact CB-CE 3.57Å; V151-M385 HydrophobicContact CB-CE 4.29Å; V151-M385 HydrophobicContact CB-SD 4.12Å; V151-M385 HydrophobicContact CG1-CE 3.29Å; V151-M385 HydrophobicContact CG1-CG 4.47Å; V151-M385 HydrophobicContact CG1-SD 3.54Å; V151-M385 VanDerWaalsContact CG1-SD 3.54Å; R369-M385 HydrophobicContact CG-CB 4.18Å; F378-M385 HydrophobicContact CD1-CE 4.48Å; F378-M385 HydrophobicContact CD1-SD 4.09Å; F378-M385 HydrophobicContact CD2-CE 3.87Å; F378-M385 HydrophobicContact CD2-SD 4.3Å; F378-M385 HydrophobicContact CE1-CE 4.47Å; F378-M385 HydrophobicContact CE1-SD 3.69Å; F378-M385 HydrophobicContact CE2-CE 3.86Å; F378-M385 HydrophobicContact CE2-SD 3.91Å; F378-M385 HydrophobicContact CG-CE 4.18Å; F378-M385 HydrophobicContact CG-SD 4.38Å; F378-M385 HydrophobicContact CZ-CE 4.17Å; F378-M385 HydrophobicContact CZ-SD 3.58Å; F378-M385 VanDerWaalsContact CZ-SD 3.58Å; F378-M385 WeakPolarHBondContact O-CE 3.15Å; S382-M385 PolarHBondContact O-N 3.1Å
386	P	91.5	Very high	89.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.			trans	-65.5	152.7	177.4	31.1	-38	0	0	0	110.6	F342 Y344 I389	F342-P386 HydrophobicContact CB-CB 3.8Å; F342-P386 HydrophobicContact CB-CG 3.85Å; F342-P386 HydrophobicContact CD1-CB 4.49Å; F342-P386 HydrophobicContact CD1-CG 3.63Å; F342-P386 HydrophobicContact CD2-CG 4.25Å; F342-P386 HydrophobicContact CE1-CG 4.23Å; F342-P386 HydrophobicContact CG-CB 4.18Å; F342-P386 HydrophobicContact CG-CG 3.65Å; Y344-P386 HydrophobicContact CE1-CB 4.3Å; Y344-P386 HydrophobicContact CE2-CB 4.29Å; P386-I389 HydrophobicContact CG-CD1 4.08Å; P386-I389 HydrophobicContact CG-CG1 3.93Å; P386-I389 WeakPolarHBondContact O-CD1 3.45Å
387	P	93.1	Very high	89.9	Confident	44 Å²	44	34.3 Å²	34.3	29%	0.286	18%	0.178	S	C	.	.	S	Bend	trans	-74.7	-32.5	-179.4	30.9	-36.1	0	0	0	112.8	L343 Y344 F350 R369	L343-P387 WeakPolarHBondContact O-CD 3.45Å; L343-P387 VanDerWaalsContact O-CG 3.23Å; L343-P387 WeakPolarHBondContact O-CG 3.45Å; Y344-P387 HydrophobicContact CD1-CG 4.15Å; F350-P387 HydrophobicContact CD2-CB 4.4Å; F350-P387 HydrophobicContact CE2-CB 3.95Å; R369-P387 PolarHBondContact N-O 2.91Å; R369-P387 VanDerWaalsContact N-O 3.13Å
388	L	95.8	Very high	90.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130	173.3	-70.7	-177	0	0	0	110.8	L343 P345 F350 V353 Y354 R368	L343-L388 HydrophobicContact CB-CB 4.05Å; L343-L388 PolarHBondContact N-O 2.91Å; L343-L388 PolarHBondContact O-N 3.48Å; P345-L388 HydrophobicContact CG-CD1 3.58Å; P345-L388 HydrophobicContact CG-CG 4.14Å; F350-L388 HydrophobicContact CD2-CD2 4.49Å; F350-L388 HydrophobicContact CD2-CG 4.25Å; F350-L388 HydrophobicContact CE1-CD2 4.33Å; F350-L388 HydrophobicContact CE2-CD1 4.38Å; F350-L388 HydrophobicContact CE2-CD2 3.58Å; F350-L388 HydrophobicContact CE2-CG 3.63Å; F350-L388 HydrophobicContact CZ-CD2 3.49Å; F350-L388 VanDerWaalsContact CZ-CD2 3.49Å; F350-L388 HydrophobicContact CZ-CG 4.1Å; V353-L388 HydrophobicContact CB-CD1 4.19Å; V353-L388 HydrophobicContact CG1-CD1 3.66Å; Y354-L388 HydrophobicContact CD2-CD2 3.67Å; Y354-L388 HydrophobicContact CG-CD2 4.36Å; R368-L388 HydrophobicContact CG-CD2 4.45Å
389	I	96.3	Very high	90.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.6	179.2	-59.3	70.9	0	0	0	107.7	G341 F342 Y367 R369 V372 F378 P386 I391	G341-I389 WeakPolarHBondContact O-CA 3.27Å; F342-I389 HydrophobicContact CE1-CG2 4.3Å; Y367-I389 PolarHBondContact N-O 2.95Å; Y367-I389 PolarHBondContact O-N 2.94Å; R369-I389 HydrophobicContact CB-CD1 4.01Å; R369-I389 HydrophobicContact CG-CD1 4.44Å; V372-I389 HydrophobicContact CG2-CB 4.03Å; V372-I389 HydrophobicContact CG2-CD1 3.87Å; V372-I389 HydrophobicContact CG2-CG1 3.85Å; V372-I389 HydrophobicContact CG2-CG2 4.47Å; F378-I389 HydrophobicContact CD1-CG1 4.4Å; F378-I389 HydrophobicContact CE1-CG1 3.92Å; P386-I389 HydrophobicContact CG-CD1 4.08Å; P386-I389 HydrophobicContact CG-CG1 3.93Å; P386-I389 WeakPolarHBondContact O-CD1 3.45Å; I389-I391 HydrophobicContact CG2-CD1 4.31Å; I389-I391 HydrophobicContact CG2-CG1 3.93Å
390	L	98	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.8	172.4	-81.1	58.9	0	0	0	108.2	L323 M340 G341 L343 L357 L364 D365 V366 I398	L323-L390 HydrophobicContact CD1-CD2 4.35Å; L323-L390 HydrophobicContact CD2-CD2 3.95Å; M340-L390 CarbonylContact C-O 3.59Å; M340-L390 WeakPolarHBondContact CA-O 3.42Å; M340-L390 WeakPolarHBondContact CB-O 3.28Å; G341-L390 PolarHBondContact N-O 3.09Å; G341-L390 PolarHBondContact O-N 2.96Å; L343-L390 HydrophobicContact CD1-CD1 4.03Å; L343-L390 HydrophobicContact CD1-CD2 3.96Å; L343-L390 HydrophobicContact CD1-CG 4.48Å; L343-L390 HydrophobicContact CD2-CD1 3.91Å; L343-L390 HydrophobicContact CD2-CD2 3.96Å; L343-L390 HydrophobicContact CG-CD1 4.37Å; L357-L390 HydrophobicContact CD1-CD2 4.31Å; L364-L390 HydrophobicContact CD1-CB 3.93Å; L364-L390 HydrophobicContact CD1-CD2 4.19Å; L364-L390 HydrophobicContact CD1-CG 4.07Å; L364-L390 HydrophobicContact CD2-CD2 4.35Å; D365-L390 CarbonylContact O-C 3.59Å; D365-L390 WeakPolarHBondContact O-CA 3.5Å; V366-L390 HydrophobicContact CG1-CD1 3.9Å; V366-L390 HydrophobicContact CG1-CG 4.45Å; V366-L390 HydrophobicContact CG2-CG 4.16Å; L390-I398 HydrophobicContact CB-CD1 3.68Å; L390-I398 HydrophobicContact CD2-CD1 4.39Å; L390-I398 HydrophobicContact CD2-CG2 4.34Å
391	I	97.5	Very high	93.2	Very high	5 Å²	5	29 Å²	29	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.2	177.7	-52.8	-170.4	0	0	0	108	Y128 D365 Y367 L376 I389 P416	Y128-I391 HydrophobicContact CE1-CD1 4.28Å; Y128-I391 WeakPolarHBondContact OH-CD1 3.09Å; Y128-I391 WeakPolarHBondContact OH-CG1 3.27Å; D365-I391 HydrophobicContact CB-CB 4.47Å; D365-I391 PolarHBondContact N-O 2.79Å; D365-I391 PolarHBondContact O-N 3.2Å; Y367-I391 HydrophobicContact CD2-CD1 4.04Å; Y367-I391 HydrophobicContact CD2-CG1 4.18Å; Y367-I391 HydrophobicContact CE2-CB 4.47Å; Y367-I391 HydrophobicContact CE2-CD1 3.83Å; Y367-I391 HydrophobicContact CE2-CG1 4.11Å; L376-I391 HydrophobicContact CD1-CD1 3.65Å; I389-I391 HydrophobicContact CG2-CD1 4.31Å; I389-I391 HydrophobicContact CG2-CG1 3.93Å; I391-P416 HydrophobicContact CG2-CG 3.85Å
392	A	98.1	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.7	170.5	0	0	0	0	0	109.7	I321 T339 W396 I398 Y415	I321-A392 HydrophobicContact CD1-CB 4.3Å; T339-A392 VanDerWaalsContact O-CB 3.27Å; T339-A392 WeakPolarHBondContact O-CB 3.33Å; T339-A392 PolarHBondContact O-N 2.76Å; A392-W396 HydrophobicContact CB-CB 4.23Å; A392-W396 WeakPolarHBondContact CB-O 3.38Å; A392-I398 HydrophobicContact CB-CD1 4.26Å; A392-I398 HydrophobicContact CB-CG1 4.05Å; A392-Y415 HydrophobicContact CB-CE1 4.41Å
393	K	97.7	Very high	94.8	Very high	76 Å²	76	31.8 Å²	31.8	33%	0.33	17%	0.169	S	C	.	.			trans	-61.3	151.1	164.9	-61.8	-58.1	-175.8	-170.9	0	109.4	K363 D365 R395 W396	K363-K393 HydrophobicContact CB-CB 4.22Å; K363-K393 HydrophobicContact CB-CG 4.21Å; K363-K393 HydrophobicContact CD-CB 4.25Å; K363-K393 HydrophobicContact CD-CG 4.21Å; K363-K393 PolarHBondContact O-N 2.96Å; D365-K393 VanDerWaalsContact OD1-CE 3.29Å; D365-K393 WeakPolarHBondContact OD1-CE 3.5Å; D365-K393 IonicContact OD1-NZ 2.7Å; D365-K393 PolarHBondContact OD1-NZ 3.38Å; D365-K393 WeakPolarHBondContact OD2-CE 3.37Å; D365-K393 IonicContact OD2-NZ 3.47Å; D365-K393 PolarHBondContact OD2-NZ 3.14Å; K393-R395 PolarHBondContact O-N 3.3Å; K393-W396 WeakPolarHBondContact O-CB 3.31Å; K393-W396 PolarHBondContact O-N 3.14Å; K393-W396 VanDerWaalsContact O-N 3.11Å
394	P	97.8	Very high	95.1	Very high	49 Å²	49	32.1 Å²	32.1	32%	0.318	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	136.8	179.5	-34	37.7	0	0	0	114.4	W396 F419	P394-W396 PolarHBondContact O-N 2.86Å; P394-F419 HydrophobicContact CB-CD1 3.88Å; P394-F419 HydrophobicContact CB-CD2 3.88Å; P394-F419 HydrophobicContact CB-CE1 3.72Å; P394-F419 HydrophobicContact CB-CE2 3.75Å; P394-F419 HydrophobicContact CB-CG 3.97Å; P394-F419 HydrophobicContact CB-CZ 3.67Å; P394-F419 HydrophobicContact CG-CB 4.19Å; P394-F419 HydrophobicContact CG-CD1 4.06Å; P394-F419 HydrophobicContact CG-CD2 3.86Å; P394-F419 HydrophobicContact CG-CE1 4.4Å; P394-F419 HydrophobicContact CG-CE2 4.25Å; P394-F419 HydrophobicContact CG-CG 3.77Å
395	R	97.2	Very high	95.2	Very high	113 Å²	113	36.7 Å²	36.7	43%	0.426	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	7.5	-179.5	-51.5	178.6	179	176.3	0	116.1	S313 E314 R319 K393 Y415 F419 E421	S313-R395 WeakPolarHBondContact OG-CG 3.34Å; E314-R395 WeakPolarHBondContact O-CB 3.25Å; E314-R395 WeakPolarHBondContact O-CG 3.38Å; R319-R395 PolarHBondContact NE-O 2.61Å; K393-R395 PolarHBondContact O-N 3.3Å; R395-Y415 WeakPolarHBondContact CA-OH 3.27Å; R395-Y415 VanDerWaalsContact N-CZ 3.28Å; R395-Y415 PolarHBondContact N-OH 3.09Å; R395-F419 HydrophobicContact CG-CZ 4.41Å; R395-E421 IonicContact CZ-OE1 2.71Å; R395-E421 IonicContact NE-OE1 2.61Å; R395-E421 PolarHBondContact NE-OE1 3.46Å; R395-E421 IonicContact NE-OE2 3.57Å; R395-E421 IonicContact NH2-OE1 2.59Å; R395-E421 PolarHBondContact NH2-OE1 3.23Å
396	W	97.9	Very high	95.2	Very high	53 Å²	53	39.2 Å²	39.2	20%	0.201	21%	0.208	C	C	.	.			trans	-105.7	147.5	170.5	-73.3	75.2	0	0	0	110.9	R319 I321 H361 K363 A392 K393 P394 Y415	R319-W396 HydrophobicContact CB-CD2 3.79Å; R319-W396 HydrophobicContact CB-CE3 3.94Å; R319-W396 HydrophobicContact CB-CG 4.19Å; R319-W396 HydrophobicContact CB-CZ2 4.35Å; R319-W396 HydrophobicContact CB-CZ3 4.31Å; R319-W396 HydrophobicContact CG-CD2 4.38Å; R319-W396 HydrophobicContact CG-CZ2 4.15Å; R319-W396 WeakPolarHBondContact O-CA 3.35Å; I321-W396 HydrophobicContact CD1-CB 4.15Å; I321-W396 HydrophobicContact CD1-CE3 4.42Å; I321-W396 HydrophobicContact CG1-CE3 3.95Å; H361-W396 AromaticContact CE1-CE3 3.75Å; H361-W396 AromaticContact CE1-CH2 3.68Å; H361-W396 AromaticContact CE1-CZ3 3.32Å; H361-W396 WeakPolarHBondContact CE1-CZ3 3.48Å; H361-W396 AromaticContact NE2-CZ3 3.67Å; K363-W396 HydrophobicContact CB-CD2 3.76Å; K363-W396 HydrophobicContact CB-CE3 4.26Å; K363-W396 HydrophobicContact CB-CG 3.85Å; K363-W396 HydrophobicContact CG-CD2 3.91Å; K363-W396 HydrophobicContact CG-CG 4.27Å; K363-W396 HydrophobicContact CG-CH2 4.42Å; K363-W396 HydrophobicContact CG-CZ2 3.82Å; A392-W396 HydrophobicContact CB-CB 4.23Å; A392-W396 WeakPolarHBondContact CB-O 3.38Å; K393-W396 WeakPolarHBondContact O-CB 3.31Å; K393-W396 PolarHBondContact O-N 3.14Å; K393-W396 VanDerWaalsContact O-N 3.11Å; P394-W396 PolarHBondContact O-N 2.86Å; W396-Y415 PolarHBondContact N-OH 3.44Å; W396-Y415 WeakPolarHBondContact O-CE1 3.21Å; W396-Y415 PolarHBondContact O-OH 2.93Å
397	K	97.5	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.7	176.8	-62.4	-175.3	-65.5	-173.7	0	111.3	T315 R319 L320 I321 Y406 A407 V409 D412	T315-K397 HydrophobicContact CG2-CD 3.96Å; T315-K397 HydrophobicContact CG2-CG 3.98Å; T315-K397 PolarHBondContact OG1-NZ 3.23Å; R319-K397 PolarHBondContact O-N 3.03Å; L320-K397 CarbonylContact C-O 3.55Å; L320-K397 WeakPolarHBondContact CA-O 3.19Å; L320-K397 HydrophobicContact CD2-CB 3.98Å; I321-K397 PolarHBondContact N-O 3.25Å; K397-Y406 PolarHBondContact NZ-O 3.41Å; K397-A407 WeakPolarHBondContact CE-O 3.44Å; K397-A407 PolarHBondContact NZ-O 3.05Å; K397-V409 HydrophobicContact CD-CG2 4.22Å; K397-V409 VanDerWaalsContact NZ-CG2 3.31Å; K397-V409 PolarHBondContact NZ-O 3.37Å; K397-D412 HydrophobicContact CD-CB 4.22Å; K397-D412 WeakPolarHBondContact CD-OD2 3.22Å
398	I	98	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.3	172.1	-51.4	165	0	0	0	107.4	I321 L323 L337 S338 L364 L390 A392	I321-I398 HydrophobicContact CB-CG1 4.48Å; I321-I398 HydrophobicContact CD1-CG1 4.19Å; I321-I398 WeakPolarHBondContact O-CA 3.42Å; L323-I398 HydrophobicContact CD1-CG2 3.85Å; L323-I398 HydrophobicContact CD2-CG2 3.73Å; L323-I398 HydrophobicContact CG-CG2 3.7Å; L337-I398 HydrophobicContact CD2-CB 4.47Å; L337-I398 HydrophobicContact CD2-CG2 3.87Å; S338-I398 WeakPolarHBondContact CA-O 3.42Å; S338-I398 PolarHBondContact N-O 3.24Å; S338-I398 WeakPolarHBondContact O-CA 3.27Å; S338-I398 WeakPolarHBondContact O-CB 3.34Å; S338-I398 WeakPolarHBondContact O-CG1 3.37Å; S338-I398 PolarHBondContact O-N 2.96Å; L364-I398 HydrophobicContact CD1-CD1 3.59Å; L364-I398 HydrophobicContact CD1-CG1 3.94Å; L390-I398 HydrophobicContact CB-CD1 3.68Å; L390-I398 HydrophobicContact CD2-CD1 4.39Å; L390-I398 HydrophobicContact CD2-CG2 4.34Å; A392-I398 HydrophobicContact CB-CD1 4.26Å; A392-I398 HydrophobicContact CB-CG1 4.05Å
399	V	97.1	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.4	177.9	-58.7	0	0	0	0	108.7	L320 I321 T322 L323 Y406 A407	L320-V399 HydrophobicContact CB-CG2 4.23Å; L320-V399 HydrophobicContact CD1-CG2 4.49Å; L320-V399 HydrophobicContact CD2-CG1 4.08Å; I321-V399 PolarHBondContact O-N 3.19Å; I321-V399 VanDerWaalsContact O-O 3.13Å; T322-V399 CarbonylContact C-O 3.58Å; T322-V399 WeakPolarHBondContact CA-O 3.37Å; T322-V399 HydrophobicContact CG2-CG2 4.35Å; L323-V399 PolarHBondContact N-O 3.26Å; V399-Y406 HydrophobicContact CB-CE2 4.19Å; V399-Y406 HydrophobicContact CG1-CD2 4.16Å; V399-Y406 HydrophobicContact CG1-CE2 3.73Å; V399-A407 HydrophobicContact CG1-CB 3.95Å
400	K	95.8	Very high	95.2	Very high	50 Å²	50	46 Å²	46	22%	0.217	25%	0.246	C	C	.	.	S	Bend	trans	-60.2	-56.4	169.3	-177.4	176.1	175.3	170.4	0	110.2	T322 L323 D324 N329 Y334 L337 Q404	T322-K400 WeakPolarHBondContact CG2-O 3.46Å; L323-K400 PolarHBondContact N-O 2.86Å; D324-K400 WeakPolarHBondContact CB-O 2.96Å; D324-K400 PolarHBondContact N-O 3.5Å; D324-K400 WeakPolarHBondContact OD1-CG 3.01Å; N329-K400 WeakPolarHBondContact ND2-CE 3.3Å; N329-K400 PolarHBondContact ND2-NZ 3.03Å; Y334-K400 HydrophobicContact CE1-CD 4.4Å; L337-K400 HydrophobicContact CD1-CB 4.25Å; K400-Q404 HydrophobicContact CB-CG 4.31Å
401	N	94.8	Very high	95.2	Very high	37 Å²	37	46 Å²	46	20%	0.198	25%	0.246	C	C	.	.	S	Bend	trans	-144.2	170.4	174.7	47.9	52.1	0	0	0	110.4	D324 S403 Q404	D324-N401 PolarHBondContact OD2-ND2 2.8Å; D324-N401 VanDerWaalsContact OD2-ND2 3.12Å; N401-S403 PolarHBondContact O-N 3.42Å; N401-S403 PolarHBondContact OD1-OG 2.85Å; N401-Q404 WeakPolarHBondContact O-CG 3.42Å; N401-Q404 PolarHBondContact O-N 3.44Å; N401-Q404 PolarHBondContact OD1-NE2 3.22Å; N401-Q404 VanDerWaalsContact OD1-NE2 3.07Å
402	T	93.1	Very high	95.2	Very high	92 Å²	92	46.2 Å²	46.2	56%	0.564	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.8	-176.8	53.3	0	0	0	0	114.1	L320 Q404	L320-T402 HydrophobicContact CD1-CG2 4.28Å; T402-Q404 VanDerWaalsContact C-N 3.33Å
403	S	93.6	Very high	95.2	Very high	95 Å²	95	46.7 Å²	46.7	66%	0.664	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.8	177.4	63.8	0	0	0	0	113.5	N401	N401-S403 PolarHBondContact O-N 3.42Å; N401-S403 PolarHBondContact OD1-OG 2.85Å
404	Q	90.4	Very high	95.2	Very high	44 Å²	44	43.1 Å²	43.1	21%	0.206	23%	0.234	C	C	.	.	S	Bend	trans	-64.8	134.9	176.7	-64.4	-58.8	-49.5	0	0	110.7	K400 N401 T402 Y406 A407	K400-Q404 HydrophobicContact CB-CG 4.31Å; N401-Q404 WeakPolarHBondContact O-CG 3.42Å; N401-Q404 PolarHBondContact O-N 3.44Å; N401-Q404 PolarHBondContact OD1-NE2 3.22Å; N401-Q404 VanDerWaalsContact OD1-NE2 3.07Å; T402-Q404 VanDerWaalsContact C-N 3.33Å; Q404-Y406 VanDerWaalsContact C-N 3.29Å; Q404-Y406 HydrophobicContact CB-CD1 3.95Å; Q404-Y406 HydrophobicContact CB-CE1 3.54Å; Q404-Y406 HydrophobicContact CB-CE2 4.3Å; Q404-Y406 HydrophobicContact CB-CG 4.47Å; Q404-Y406 HydrophobicContact CG-CE1 3.89Å; Q404-Y406 PolarHBondContact O-N 2.92Å; Q404-A407 HydrophobicContact CB-CB 4.5Å; Q404-A407 WeakPolarHBondContact O-CB 3.37Å; Q404-A407 PolarHBondContact O-N 3.06Å
405	P	88.4	Confident	95.2	Very high	110 Å²	110	40.8 Å²	40.8	71%	0.714	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-55.3	-42.4	-178.9	-27.5	34.9	0	0	0	113.5	A407 N408	P405-A407 PolarHBondContact O-N 3.4Å; P405-A407 VanDerWaalsContact O-N 3.14Å; P405-N408 PolarHBondContact O-N 3.41Å
406	Y	89.3	Confident	95.2	Very high	55 Å²	55	36 Å²	36	22%	0.216	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-69	-7.8	178.1	63.8	-92.3	0	0	0	113.9	L337 K397 V399 Q404 N408 V409	L337-Y406 HydrophobicContact CB-CE2 4.21Å; L337-Y406 WeakPolarHBondContact CD1-OH 3.45Å; K397-Y406 PolarHBondContact NZ-O 3.41Å; V399-Y406 HydrophobicContact CB-CE2 4.19Å; V399-Y406 HydrophobicContact CG1-CD2 4.16Å; V399-Y406 HydrophobicContact CG1-CE2 3.73Å; Q404-Y406 VanDerWaalsContact C-N 3.29Å; Q404-Y406 HydrophobicContact CB-CD1 3.95Å; Q404-Y406 HydrophobicContact CB-CE1 3.54Å; Q404-Y406 HydrophobicContact CB-CE2 4.3Å; Q404-Y406 HydrophobicContact CB-CG 4.47Å; Q404-Y406 HydrophobicContact CG-CE1 3.89Å; Q404-Y406 PolarHBondContact O-N 2.92Å; Y406-N408 PolarHBondContact O-N 2.74Å; Y406-V409 WeakPolarHBondContact O-CG2 3.42Å
407	A	92.2	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-63.6	-29.6	171.4	0	0	0	0	0	111.8	L320 K397 V399 Q404 P405	L320-A407 HydrophobicContact CD1-CB 4.12Å; K397-A407 WeakPolarHBondContact CE-O 3.44Å; K397-A407 PolarHBondContact NZ-O 3.05Å; V399-A407 HydrophobicContact CG1-CB 3.95Å; Q404-A407 HydrophobicContact CB-CB 4.5Å; Q404-A407 WeakPolarHBondContact O-CB 3.37Å; Q404-A407 PolarHBondContact O-N 3.06Å; P405-A407 PolarHBondContact O-N 3.4Å; P405-A407 VanDerWaalsContact O-N 3.14Å
408	N	92.6	Very high	94.9	Very high	109 Å²	109	39.4 Å²	39.4	58%	0.583	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-102.4	2.8	-172.6	-70.9	-20.1	0	0	0	115.2	P405 Y406	P405-N408 PolarHBondContact O-N 3.41Å; Y406-N408 PolarHBondContact O-N 2.74Å
409	V	94.5	Very high	94.9	Very high	36 Å²	36	41 Å²	41	22%	0.218	23%	0.233	C	C	.	.			trans	-63.7	145.6	172.7	-58.6	0	0	0	0	110.8	H266 T315 K397 Y406 G411	H266-V409 WeakPolarHBondContact O-CB 3.39Å; T315-V409 PolarHBondContact OG1-O 3.26Å; K397-V409 HydrophobicContact CD-CG2 4.22Å; K397-V409 VanDerWaalsContact NZ-CG2 3.31Å; K397-V409 PolarHBondContact NZ-O 3.37Å; Y406-V409 WeakPolarHBondContact O-CG2 3.42Å; V409-G411 WeakPolarHBondContact CG2-O 3.48Å
410	S	97.1	Very high	94.9	Very high	41 Å²	41	43.9 Å²	43.9	29%	0.287	25%	0.253	S	S	.	.	S	Bend	trans	-90.6	-27.7	-176.6	-56	0	0	0	0	111.9	H266 S267 G269 T315	H266-S410 PolarHBondContact O-N 3.07Å; S267-S410 PolarHBondContact O-OG 3.03Å; G269-S410 VanDerWaalsContact N-CB 3.35Å; T315-S410 PolarHBondContact N-O 2.86Å; T315-S410 PolarHBondContact OG1-O 2.89Å
411	G	98.1	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.7	171.1	0	0	0	0	0	111.7	G265 H266 M312 S313 V409	G265-G411 VanDerWaalsContact O-CA 3.3Å; G265-G411 WeakPolarHBondContact O-CA 3.23Å; G265-G411 PolarHBondContact O-N 3.19Å; H266-G411 PolarHBondContact ND1-O 3.07Å; H266-G411 PolarHBondContact O-N 3.1Å; H266-G411 VanDerWaalsContact O-N 3.11Å; M312-G411 VanDerWaalsContact SD-C 3.54Å; S313-G411 CarbonylContact O-C 3.23Å; S313-G411 VanDerWaalsContact O-CA 3.29Å; S313-G411 WeakPolarHBondContact O-CA 3.27Å; V409-G411 WeakPolarHBondContact CG2-O 3.48Å
412	D	97.6	Very high	95.2	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.053	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.1	168.6	-152.5	-5.5	0	0	0	112.2	H266 M312 S313 T315 S338 T339 K397	H266-D412 IonicContact CE1-OD1 3.07Å; H266-D412 PolarHBondContact CE1-OD1 3.34Å; M312-D412 VanDerWaalsContact SD-CA 3.52Å; M312-D412 PolarHBondContact SD-N 2.96Å; S313-D412 PolarHBondContact N-O 3.23Å; S313-D412 PolarHBondContact O-N 3.39Å; T315-D412 HydrophobicContact CG2-CB 3.46Å; T315-D412 VanDerWaalsContact CG2-CB 3.46Å; S338-D412 VanDerWaalsContact CB-OD2 3.26Å; S338-D412 WeakPolarHBondContact CB-OD2 3.19Å; S338-D412 PolarHBondContact OG-OD2 3.04Å; T339-D412 HydrophobicContact CG2-CB 3.95Å; T339-D412 VanDerWaalsContact CG2-CG 3.48Å; T339-D412 WeakPolarHBondContact CG2-OD2 3.36Å; K397-D412 HydrophobicContact CD-CB 4.22Å; K397-D412 WeakPolarHBondContact CD-OD2 3.22Å
413	H	98.3	Very high	95.5	Very high	11 Å²	11	38 Å²	38	5%	0.051	22%	0.218	C	C	.	.			trans	-140.7	167.8	-176.9	64.3	95.1	0	0	0	111.1	T130 D262 H266 H310 G311 M312 T339 M422	T130-H413 PolarHBondContact O-ND1 3.14Å; D262-H413 IonicContact OD1-CD2 3Å; D262-H413 IonicContact OD1-NE2 3.02Å; H266-H413 AromaticContact CE1-CD2 3.46Å; H266-H413 PolarHBondContact CE1-CD2 3.42Å; H266-H413 VanDerWaalsContact CE1-CD2 3.46Å; H266-H413 AromaticContact CE1-NE2 3.68Å; H266-H413 AromaticContact NE2-CD2 3.35Å; H266-H413 PolarHBondContact NE2-CD2 3.43Å; H266-H413 VanDerWaalsContact NE2-CD2 3.35Å; H266-H413 AromaticContact NE2-NE2 3.21Å; H266-H413 PolarHBondContact NE2-NE2 3.07Å; H310-H413 AromaticContact CD2-CE1 3.94Å; H310-H413 AromaticContact CD2-ND1 3.53Å; H310-H413 AromaticContact CE1-CD2 3.72Å; H310-H413 AromaticContact CE1-CE1 3.14Å; H310-H413 PolarHBondContact CE1-CE1 3.18Å; H310-H413 AromaticContact CE1-CG 3.44Å; H310-H413 VanDerWaalsContact CE1-CG 3.44Å; H310-H413 AromaticContact CE1-ND1 3.07Å; H310-H413 PolarHBondContact CE1-ND1 3.17Å; H310-H413 AromaticContact CE1-NE2 3.6Å; H310-H413 AromaticContact CG-ND1 3.64Å; H310-H413 AromaticContact ND1-CE1 3.9Å; H310-H413 AromaticContact ND1-CG 3.47Å; H310-H413 AromaticContact ND1-ND1 3.34Å; H310-H413 PolarHBondContact ND1-ND1 3.36Å; H310-H413 AromaticContact NE2-CE1 3.07Å; H310-H413 PolarHBondContact NE2-CE1 3.27Å; H310-H413 AromaticContact NE2-CG 3.95Å; H310-H413 AromaticContact NE2-ND1 3.1Å; H310-H413 PolarHBondContact NE2-ND1 3.21Å; H310-H413 AromaticContact NE2-NE2 3.93Å; G311-H413 WeakPolarHBondContact O-CB 3.38Å; M312-H413 HydrophobicContact CE-CB 4.28Å; M312-H413 HydrophobicContact SD-CB 4.34Å; T339-H413 WeakPolarHBondContact CB-O 3.45Å; T339-H413 WeakPolarHBondContact CG2-O 3.49Å; T339-H413 PolarHBondContact OG1-O 3.07Å; H413-M422 HydrophobicContact CB-CE 4.17Å; H413-M422 HydrophobicContact CB-SD 3.96Å
414	G	97.5	Very high	95.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.			trans	115	1.7	-176	0	0	0	0	0	115.1	Y128 T130 T339 M340 M422	Y128-G414 WeakPolarHBondContact CE2-O 3.32Å; T130-G414 WeakPolarHBondContact O-CA 3.15Å; T130-G414 PolarHBondContact O-N 3.13Å; T130-G414 VanDerWaalsContact OG1-C 3.23Å; T130-G414 WeakPolarHBondContact OG1-CA 3.42Å; T130-G414 PolarHBondContact OG1-N 2.78Å; T339-G414 VanDerWaalsContact OG1-CA 3.3Å; T339-G414 WeakPolarHBondContact OG1-CA 3.43Å; M340-G414 VanDerWaalsContact CE-C 3.48Å; M340-G414 WeakPolarHBondContact CE-O 3.36Å; G414-M422 PolarHBondContact N-SD 3.49Å
415	Y	97.9	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.			trans	-64.5	164.7	175.8	-59	-72.8	0	0	0	112	T130 T315 T339 A392 R395 W396 F419 M422	T130-Y415 VanDerWaalsContact CG2-O 3.3Å; T130-Y415 WeakPolarHBondContact CG2-O 3.46Å; T130-Y415 PolarHBondContact OG1-N 2.86Å; T130-Y415 PolarHBondContact OG1-O 3.01Å; T130-Y415 VanDerWaalsContact OG1-O 3.14Å; T315-Y415 WeakPolarHBondContact CG2-OH 3.23Å; T339-Y415 HydrophobicContact CG2-CD1 4.21Å; T339-Y415 HydrophobicContact CG2-CD2 4.12Å; T339-Y415 HydrophobicContact CG2-CE1 3.7Å; T339-Y415 HydrophobicContact CG2-CE2 3.56Å; T339-Y415 HydrophobicContact CG2-CG 4.42Å; A392-Y415 HydrophobicContact CB-CE1 4.41Å; R395-Y415 WeakPolarHBondContact CA-OH 3.27Å; R395-Y415 VanDerWaalsContact N-CZ 3.28Å; R395-Y415 PolarHBondContact N-OH 3.09Å; W396-Y415 PolarHBondContact N-OH 3.44Å; W396-Y415 WeakPolarHBondContact O-CE1 3.21Å; W396-Y415 PolarHBondContact O-OH 2.93Å; Y415-F419 HydrophobicContact CD2-CD1 4.17Å; Y415-F419 HydrophobicContact CD2-CE1 4.19Å; Y415-F419 HydrophobicContact CG-CD1 4.18Å; Y415-M422 HydrophobicContact CD2-CE 3.88Å; Y415-M422 HydrophobicContact CD2-CG 4.5Å; Y415-M422 HydrophobicContact CD2-SD 3.74Å; Y415-M422 HydrophobicContact CG-SD 4.36Å
416	P	96.8	Very high	96.6	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.078	14%	0.143	C	C	.	.			trans	-52	149.5	175	-33	40.7	0	0	0	114.8	L376 I391 D418 F419	L376-P416 HydrophobicContact CD2-CB 4.12Å; I391-P416 HydrophobicContact CG2-CG 3.85Å; P416-D418 WeakPolarHBondContact CB-OD1 3.44Å; P416-D418 PolarHBondContact O-N 3.47Å; P416-F419 WeakPolarHBondContact O-CB 3.38Å; P416-F419 PolarHBondContact O-N 2.92Å
417	T	95.6	Very high	97	Very high	20 Å²	20	23.8 Å²	23.8	12%	0.123	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-5.4	-174.8	52.9	0	0	0	0	114.3	N126 T130 F419 Y423	N126-T417 VanDerWaalsContact O-CG2 3.32Å; N126-T417 WeakPolarHBondContact O-CG2 3.29Å; T130-T417 HydrophobicContact CG2-CG2 3.8Å; T417-F419 VanDerWaalsContact C-N 3.33Å; T417-Y423 WeakPolarHBondContact O-CE1 3.39Å
418	D	94.7	Very high	97.4	Very high	106 Å²	106	23.8 Å²	23.8	57%	0.567	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-6.3	170.1	60.8	-19.3	0	0	0	112.5	P416	P416-D418 WeakPolarHBondContact CB-OD1 3.44Å; P416-D418 PolarHBondContact O-N 3.47Å
419	F	97.4	Very high	97.6	Very high	34 Å²	34	19.9 Å²	19.9	15%	0.149	11%	0.11	C	C	.	.	S	Bend	trans	-88.2	111.9	174.8	-175.4	-131.1	0	0	0	111.2	S313 P394 R395 Y415 P416 T417 E421 M422	S313-F419 WeakPolarHBondContact OG-CE1 3.21Å; P394-F419 HydrophobicContact CB-CD1 3.88Å; P394-F419 HydrophobicContact CB-CD2 3.88Å; P394-F419 HydrophobicContact CB-CE1 3.72Å; P394-F419 HydrophobicContact CB-CE2 3.75Å; P394-F419 HydrophobicContact CB-CG 3.97Å; P394-F419 HydrophobicContact CB-CZ 3.67Å; P394-F419 HydrophobicContact CG-CB 4.19Å; P394-F419 HydrophobicContact CG-CD1 4.06Å; P394-F419 HydrophobicContact CG-CD2 3.86Å; P394-F419 HydrophobicContact CG-CE1 4.4Å; P394-F419 HydrophobicContact CG-CE2 4.25Å; P394-F419 HydrophobicContact CG-CG 3.77Å; R395-F419 HydrophobicContact CG-CZ 4.41Å; Y415-F419 HydrophobicContact CD2-CD1 4.17Å; Y415-F419 HydrophobicContact CD2-CE1 4.19Å; Y415-F419 HydrophobicContact CG-CD1 4.18Å; P416-F419 WeakPolarHBondContact O-CB 3.38Å; P416-F419 PolarHBondContact O-N 2.92Å; T417-F419 VanDerWaalsContact C-N 3.33Å; F419-E421 HydrophobicContact CD1-CB 4.17Å; F419-E421 HydrophobicContact CE1-CB 3.62Å; F419-E421 HydrophobicContact CE1-CG 4.12Å; F419-E421 HydrophobicContact CE2-CB 4.45Å; F419-E421 HydrophobicContact CE2-CG 4.21Å; F419-E421 HydrophobicContact CZ-CB 3.77Å; F419-E421 HydrophobicContact CZ-CG 3.72Å; F419-E421 WeakPolarHBondContact CZ-OE2 3.46Å; F419-E421 PolarHBondContact O-N 3Å; F419-E421 VanDerWaalsContact O-N 3.1Å; F419-M422 HydrophobicContact CD1-CE 4.49Å; F419-M422 HydrophobicContact CD1-CG 4.01Å; F419-M422 WeakPolarHBondContact O-CB 3.18Å; F419-M422 PolarHBondContact O-N 2.72Å
420	S	97.1	Very high	97.8	Very high	60 Å²	60	18.6 Å²	18.6	42%	0.42	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-61	-26.2	-169.6	59.4	0	0	0	0	115.3	H93 M422 Y423	H93-S420 PolarHBondContact CD2-O 2.91Å; S420-M422 PolarHBondContact O-N 2.82Å; S420-Y423 WeakPolarHBondContact O-CB 3.37Å; S420-Y423 WeakPolarHBondContact O-CD2 3.48Å; S420-Y423 PolarHBondContact O-N 3.4Å; S420-Y423 VanDerWaalsContact O-N 3.08Å
421	E	98.3	Very high	97.8	Very high	29 Å²	29	17.6 Å²	17.6	14%	0.136	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-68.3	-12.6	176.7	-64.1	178	-161.1	0	0	112.6	R92 G311 M312 S313 R395 F419	R92-E421 WeakPolarHBondContact CD-O 3.43Å; R92-E421 WeakPolarHBondContact CG-O 3.46Å; G311-E421 CarbonylContact C-O 3.23Å; G311-E421 VanDerWaalsContact CA-O 3.31Å; G311-E421 WeakPolarHBondContact CA-O 3.49Å; M312-E421 PolarHBondContact N-O 2.81Å; S313-E421 VanDerWaalsContact CA-OE2 3.28Å; S313-E421 WeakPolarHBondContact CA-OE2 3.18Å; S313-E421 WeakPolarHBondContact CB-OE2 3.15Å; S313-E421 PolarHBondContact OG-OE2 2.81Å; R395-E421 IonicContact CZ-OE1 2.71Å; R395-E421 IonicContact NE-OE1 2.61Å; R395-E421 PolarHBondContact NE-OE1 3.46Å; R395-E421 IonicContact NE-OE2 3.57Å; R395-E421 IonicContact NH2-OE1 2.59Å; R395-E421 PolarHBondContact NH2-OE1 3.23Å; F419-E421 HydrophobicContact CD1-CB 4.17Å; F419-E421 HydrophobicContact CE1-CB 3.62Å; F419-E421 HydrophobicContact CE1-CG 4.12Å; F419-E421 HydrophobicContact CE2-CB 4.45Å; F419-E421 HydrophobicContact CE2-CG 4.21Å; F419-E421 HydrophobicContact CZ-CB 3.77Å; F419-E421 HydrophobicContact CZ-CG 3.72Å; F419-E421 WeakPolarHBondContact CZ-OE2 3.46Å; F419-E421 PolarHBondContact O-N 3Å; F419-E421 VanDerWaalsContact O-N 3.1Å
422	M	98.5	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-86.7	-4.9	172.8	-60.9	-62.5	87.6	0	0	113.5	N126 T130 G311 H413 G414 Y415 F419 S420 P424	N126-M422 PolarHBondContact ND2-O 3.13Å; T130-M422 HydrophobicContact CG2-CB 4Å; T130-M422 HydrophobicContact CG2-CG 4.34Å; T130-M422 PolarHBondContact OG1-SD 2.52Å; G311-M422 PolarHBondContact N-O 3.46Å; H413-M422 HydrophobicContact CB-CE 4.17Å; H413-M422 HydrophobicContact CB-SD 3.96Å; G414-M422 PolarHBondContact N-SD 3.49Å; Y415-M422 HydrophobicContact CD2-CE 3.88Å; Y415-M422 HydrophobicContact CD2-CG 4.5Å; Y415-M422 HydrophobicContact CD2-SD 3.74Å; Y415-M422 HydrophobicContact CG-SD 4.36Å; F419-M422 HydrophobicContact CD1-CE 4.49Å; F419-M422 HydrophobicContact CD1-CG 4.01Å; F419-M422 WeakPolarHBondContact O-CB 3.18Å; F419-M422 PolarHBondContact O-N 2.72Å; S420-M422 PolarHBondContact O-N 2.82Å; M422-P424 VanDerWaalsContact O-CD 3.25Å; M422-P424 WeakPolarHBondContact O-CD 3.4Å
423	Y	98.7	Very high	97.8	Very high	27 Å²	27	17.3 Å²	17.3	11%	0.106	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-70.9	120.9	179.7	-61.4	-23.1	0	0	0	110.9	H93 K123 S124 I125 T417 S420	H93-Y423 PolarHBondContact N-O 2.68Å; K123-Y423 HydrophobicContact CB-CD2 4.41Å; K123-Y423 HydrophobicContact CD-CE2 4.27Å; K123-Y423 HydrophobicContact CG-CD2 4.4Å; K123-Y423 HydrophobicContact CG-CE2 4.43Å; S124-Y423 WeakPolarHBondContact O-CB 3.04Å; S124-Y423 WeakPolarHBondContact O-CD1 3.4Å; I125-Y423 HydrophobicContact CD1-CD1 3.95Å; I125-Y423 HydrophobicContact CD1-CE1 3.39Å; I125-Y423 HydrophobicContact CD1-CE2 4.18Å; T417-Y423 WeakPolarHBondContact O-CE1 3.39Å; S420-Y423 WeakPolarHBondContact O-CB 3.37Å; S420-Y423 WeakPolarHBondContact O-CD2 3.48Å; S420-Y423 PolarHBondContact O-N 3.4Å; S420-Y423 VanDerWaalsContact O-N 3.08Å
424	P	98.7	Very high	97.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-67.4	161.4	168.1	27.6	-33.1	0	0	0	110.6	F91 S124 N126 A308 M422	F91-P424 WeakPolarHBondContact O-CA 3.32Å; S124-P424 WeakPolarHBondContact CB-O 3.18Å; S124-P424 WeakPolarHBondContact O-CD 2.92Å; N126-P424 HydrophobicContact CB-CG 4.21Å; A308-P424 HydrophobicContact CB-CB 3.53Å; A308-P424 WeakPolarHBondContact O-CB 3.12Å; M422-P424 VanDerWaalsContact O-CD 3.25Å; M422-P424 WeakPolarHBondContact O-CD 3.4Å
425	F	98.5	Very high	97.9	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.013	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-74.5	160.4	164.1	84.4	-58.9	0	0	0	111.5	M88 F91 F111 L306 T307 A308 I427	M88-F425 HydrophobicContact CB-CE1 4.17Å; M88-F425 HydrophobicContact CB-CZ 4.37Å; M88-F425 HydrophobicContact CG-CZ 4.48Å; M88-F425 HydrophobicContact SD-CZ 3.98Å; F91-F425 HydrophobicContact CB-CD1 3.55Å; F91-F425 HydrophobicContact CB-CE1 3.46Å; F91-F425 VanDerWaalsContact CB-CE1 3.46Å; F91-F425 HydrophobicContact CB-CZ 4.44Å; F91-F425 HydrophobicContact CD1-CB 4.1Å; F91-F425 AromaticContact CD1-CD1 3.48Å; F91-F425 HydrophobicContact CD1-CD1 3.48Å; F91-F425 VanDerWaalsContact CD1-CD1 3.48Å; F91-F425 HydrophobicContact CD1-CD2 4.28Å; F91-F425 AromaticContact CD1-CE1 3.84Å; F91-F425 HydrophobicContact CD1-CE1 3.84Å; F91-F425 AromaticContact CD1-CG 3.7Å; F91-F425 HydrophobicContact CD1-CG 3.7Å; F91-F425 HydrophobicContact CD1-CZ 4.36Å; F91-F425 HydrophobicContact CD2-CD1 4.46Å; F91-F425 AromaticContact CD2-CE1 3.99Å; F91-F425 HydrophobicContact CD2-CE1 3.99Å; F91-F425 HydrophobicContact CD2-CZ 4.18Å; F91-F425 HydrophobicContact CE1-CB 4.47Å; F91-F425 HydrophobicContact CE1-CD1 4.29Å; F91-F425 HydrophobicContact CE1-CD2 4.32Å; F91-F425 HydrophobicContact CE1-CG 4.12Å; F91-F425 AromaticContact CG-CD1 3.59Å; F91-F425 HydrophobicContact CG-CD1 3.59Å; F91-F425 AromaticContact CG-CE1 3.5Å; F91-F425 HydrophobicContact CG-CE1 3.5Å; F91-F425 HydrophobicContact CG-CG 4.24Å; F91-F425 HydrophobicContact CG-CZ 4.09Å; F91-F425 WeakPolarHBondContact O-CD1 3.35Å; F91-F425 PolarHBondContact O-N 2.82Å; F111-F425 AromaticContact CE1-CE2 4Å; F111-F425 HydrophobicContact CE1-CE2 4Å; L306-F425 HydrophobicContact CD1-CE2 4.48Å; L306-F425 HydrophobicContact CD1-CZ 3.96Å; L306-F425 HydrophobicContact CD2-CE2 3.8Å; L306-F425 HydrophobicContact CD2-CZ 4.07Å; L306-F425 HydrophobicContact CG-CE2 3.59Å; L306-F425 HydrophobicContact CG-CZ 3.54Å; T307-F425 WeakPolarHBondContact CA-O 3.41Å; T307-F425 VanDerWaalsContact O-CE1 3.24Å; T307-F425 WeakPolarHBondContact O-CE1 3.41Å; T307-F425 PolarHBondContact OG1-O 2.72Å; T307-F425 VanDerWaalsContact OG1-O 3.11Å; A308-F425 HydrophobicContact CB-CD1 3.95Å; A308-F425 HydrophobicContact CB-CE1 3.99Å; A308-F425 PolarHBondContact N-O 2.79Å; F425-I427 HydrophobicContact CD2-CD1 3.96Å; F425-I427 HydrophobicContact CD2-CG1 4.14Å; F425-I427 HydrophobicContact CE2-CD1 4.18Å
426	F	98.8	Very high	97.9	Very high	1 Å²	1	28 Å²	28	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	122.2	171.8	-177.7	-82.1	0	0	0	110.3	R120 A121 I305 A428 V442 V447 I472	R120-F426 WeakPolarHBondContact CA-O 3.29Å; A121-F426 HydrophobicContact CB-CB 4.06Å; A121-F426 HydrophobicContact CB-CD1 4.12Å; A121-F426 HydrophobicContact CB-CG 4.45Å; A121-F426 PolarHBondContact N-O 3.34Å; I305-F426 HydrophobicContact CG2-CD2 4.35Å; I305-F426 HydrophobicContact CG2-CE2 3.54Å; I305-F426 HydrophobicContact CG2-CZ 3.86Å; F426-A428 HydrophobicContact CE1-CB 3.94Å; F426-A428 HydrophobicContact CZ-CB 4.27Å; F426-V442 HydrophobicContact CB-CG2 3.89Å; F426-V442 HydrophobicContact CD1-CG1 4.37Å; F426-V442 HydrophobicContact CD1-CG2 4.07Å; F426-V442 HydrophobicContact CD2-CG2 4.06Å; F426-V442 HydrophobicContact CE1-CG1 4.41Å; F426-V442 HydrophobicContact CG-CG2 3.75Å; F426-V447 HydrophobicContact CE2-CG2 4.01Å; F426-I472 HydrophobicContact CE1-CD1 3.93Å; F426-I472 HydrophobicContact CZ-CD1 3.96Å
427	I	98.9	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.9	174.5	-53.7	166.5	0	0	0	107.9	I96 F111 L114 I115 V119 R120 L306 F425	I96-I427 HydrophobicContact CD1-CD1 3.78Å; F111-I427 HydrophobicContact CD1-CD1 4.08Å; L114-I427 HydrophobicContact CB-CG2 4.49Å; L114-I427 HydrophobicContact CD2-CB 4Å; L114-I427 HydrophobicContact CD2-CD1 4.38Å; L114-I427 HydrophobicContact CD2-CG2 3.61Å; L114-I427 HydrophobicContact CG-CG2 3.71Å; I115-I427 HydrophobicContact CD1-CD1 4.09Å; I115-I427 HydrophobicContact CG1-CD1 3.76Å; I115-I427 HydrophobicContact CG1-CG1 4.29Å; I115-I427 HydrophobicContact CG1-CG2 4.29Å; V119-I427 CarbonylContact O-C 3.58Å; V119-I427 WeakPolarHBondContact O-CA 3.3Å; R120-I427 HydrophobicContact CB-CG1 4.25Å; R120-I427 HydrophobicContact CG-CG1 4Å; L306-I427 PolarHBondContact N-O 2.94Å; L306-I427 PolarHBondContact O-N 3.31Å; L306-I427 VanDerWaalsContact O-O 3.08Å; F425-I427 HydrophobicContact CD2-CD1 3.96Å; F425-I427 HydrophobicContact CD2-CG1 4.14Å; F425-I427 HydrophobicContact CE2-CD1 4.18Å
428	A	98.9	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.7	175	0	0	0	0	0	110.9	G118 V119 I304 I305 F426 F433	G118-A428 CarbonylContact C-O 3.59Å; G118-A428 VanDerWaalsContact CA-O 3.25Å; G118-A428 WeakPolarHBondContact CA-O 3.18Å; V119-A428 HydrophobicContact CG1-CB 3.9Å; V119-A428 PolarHBondContact N-O 3.1Å; V119-A428 PolarHBondContact O-N 2.92Å; I304-A428 CarbonylContact O-C 3.58Å; I304-A428 VanDerWaalsContact O-CA 3.23Å; I304-A428 WeakPolarHBondContact O-CA 3.28Å; I305-A428 HydrophobicContact CG1-CB 4.45Å; F426-A428 HydrophobicContact CE1-CB 3.94Å; F426-A428 HydrophobicContact CZ-CB 4.27Å; A428-F433 HydrophobicContact CB-CD1 3.68Å; A428-F433 HydrophobicContact CB-CD2 3.9Å; A428-F433 HydrophobicContact CB-CE1 3.69Å; A428-F433 HydrophobicContact CB-CE2 3.86Å; A428-F433 HydrophobicContact CB-CG 3.79Å; A428-F433 HydrophobicContact CB-CZ 3.77Å
429	R	98.5	Very high	98.2	Very high	26 Å²	26	30.1 Å²	30.1	10%	0.098	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	135.4	-176.7	176.8	-92.5	-178.5	-124.6	-8.6	110.5	L114 E117 T299 I304	L114-R429 HydrophobicContact CD1-CB 3.56Å; L114-R429 HydrophobicContact CD1-CG 3.98Å; L114-R429 HydrophobicContact CG-CB 4.25Å; E117-R429 HydrophobicContact CB-CG 4.02Å; E117-R429 WeakPolarHBondContact O-CG 3.47Å; E117-R429 IonicContact OE2-CZ 2.65Å; E117-R429 IonicContact OE2-NE 3.4Å; E117-R429 PolarHBondContact OE2-NE 3.33Å; E117-R429 IonicContact OE2-NH2 3.29Å; E117-R429 PolarHBondContact OE2-NH2 3.33Å; T299-R429 PolarHBondContact O-NH1 3.43Å; I304-R429 PolarHBondContact N-O 2.9Å; I304-R429 PolarHBondContact O-N 3.32Å
430	G	98	Very high	98.2	Very high	9 Å²	9	33 Å²	33	9%	0.093	19%	0.194	C	C	.	.	S	Bend	trans	156.6	-178.4	-179.2	0	0	0	0	0	113.4	V302 D303 S432 F433	V302-G430 WeakPolarHBondContact O-CA 3.19Å; D303-G430 VanDerWaalsContact OD1-C 3.28Å; D303-G430 WeakPolarHBondContact OD1-CA 3.36Å; G430-S432 PolarHBondContact O-N 3.18Å; G430-S432 VanDerWaalsContact O-N 3.12Å; G430-F433 PolarHBondContact O-N 3Å
431	P	96.8	Very high	98.2	Very high	21 Å²	21	32.5 Å²	32.5	14%	0.136	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.1	-179.9	25.7	-37.2	0	0	0	113.7	D300 V302 D303 K474	D300-P431 WeakPolarHBondContact O-CG 3.38Å; V302-P431 VanDerWaalsContact O-CD 3.31Å; V302-P431 WeakPolarHBondContact O-CD 3.44Å; D303-P431 WeakPolarHBondContact OD1-CD 3.5Å; D303-P431 WeakPolarHBondContact OD1-CG 3.09Å; P431-K474 WeakPolarHBondContact O-CE 3.28Å; P431-K474 PolarHBondContact O-NZ 2.71Å
432	S	97.9	Very high	98.2	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-23	-175.3	-59.1	0	0	0	0	114.6	D303 G430 L454 L473 K474	D303-S432 VanDerWaalsContact OD1-CB 3.28Å; D303-S432 WeakPolarHBondContact OD1-CB 3.13Å; D303-S432 PolarHBondContact OD1-N 3.01Å; D303-S432 PolarHBondContact OD1-OG 3.01Å; D303-S432 VanDerWaalsContact OD2-CB 3.24Å; D303-S432 WeakPolarHBondContact OD2-CB 3.21Å; D303-S432 PolarHBondContact OD2-OG 2.91Å; G430-S432 PolarHBondContact O-N 3.18Å; G430-S432 VanDerWaalsContact O-N 3.12Å; S432-L454 WeakPolarHBondContact OG-CD2 3.15Å; S432-L473 WeakPolarHBondContact O-CA 3.33Å; S432-L473 WeakPolarHBondContact O-CD2 3.42Å; S432-K474 PolarHBondContact O-N 3.16Å
433	F	98.6	Very high	98.2	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-92.8	155.4	-172.7	-60	-68.1	0	0	0	113	V119 D303 I305 A428 G430 L450 L454 I472 L473 K474	V119-F433 HydrophobicContact CG1-CB 4.08Å; V119-F433 HydrophobicContact CG1-CD1 4.32Å; V119-F433 HydrophobicContact CG1-CG 4.46Å; D303-F433 HydrophobicContact CB-CD2 4.41Å; D303-F433 HydrophobicContact CB-CE2 3.72Å; D303-F433 HydrophobicContact CB-CZ 4.5Å; I305-F433 HydrophobicContact CD1-CZ 4.15Å; I305-F433 HydrophobicContact CG1-CE2 4.23Å; I305-F433 HydrophobicContact CG1-CZ 3.72Å; A428-F433 HydrophobicContact CB-CD1 3.68Å; A428-F433 HydrophobicContact CB-CD2 3.9Å; A428-F433 HydrophobicContact CB-CE1 3.69Å; A428-F433 HydrophobicContact CB-CE2 3.86Å; A428-F433 HydrophobicContact CB-CG 3.79Å; A428-F433 HydrophobicContact CB-CZ 3.77Å; G430-F433 PolarHBondContact O-N 3Å; F433-L450 HydrophobicContact CE1-CD1 4.45Å; F433-L450 HydrophobicContact CE1-CD2 4.25Å; F433-L454 HydrophobicContact CZ-CD1 3.88Å; F433-I472 HydrophobicContact CD1-CD1 3.91Å; F433-I472 HydrophobicContact CD1-CG1 3.91Å; F433-I472 HydrophobicContact CE1-CD1 3.63Å; F433-I472 HydrophobicContact CE1-CG1 4.03Å; F433-L473 HydrophobicContact CD1-CD2 3.87Å; F433-L473 HydrophobicContact CE1-CD2 3.89Å; F433-K474 WeakPolarHBondContact O-CE 3.48Å; F433-K474 VanDerWaalsContact O-CG 3.28Å; F433-K474 WeakPolarHBondContact O-CG 3.24Å
434	K	98.5	Very high	98.2	Very high	59 Å²	59	32.7 Å²	32.7	26%	0.257	19%	0.192	S	C	.	.			trans	-61.7	163.6	169.3	-65.3	-179.2	176.6	171.9	0	111.1	G118 V119 E437 N471 I472 L473	G118-K434 CarbonylContact C-O 3.53Å; G118-K434 VanDerWaalsContact CA-O 3.29Å; G118-K434 WeakPolarHBondContact CA-O 3.5Å; V119-K434 HydrophobicContact CB-CB 4.48Å; K434-E437 HydrophobicContact CB-CB 3.92Å; K434-E437 HydrophobicContact CB-CG 3.84Å; K434-E437 HydrophobicContact CD-CB 4.32Å; K434-E437 HydrophobicContact CD-CG 4.06Å; K434-N471 WeakPolarHBondContact CD-O 3.29Å; K434-N471 WeakPolarHBondContact CE-O 3.36Å; K434-N471 PolarHBondContact NZ-O 3.41Å; K434-I472 PolarHBondContact N-O 3.47Å; K434-L473 WeakPolarHBondContact CE-O 3.22Å; K434-L473 VanDerWaalsContact CG-O 3.29Å; K434-L473 WeakPolarHBondContact CG-O 3.48Å
435	I	98.3	Very high	98.2	Very high	104 Å²	104	32.8 Å²	32.8	53%	0.533	19%	0.192	S	C	.	.	S	Bend	trans	-121.6	133.8	-175.5	-59.1	174.6	0	0	0	108.2	G118 E437	G118-I435 CarbonylContact O-C 3.4Å; I435-E437 VanDerWaalsContact C-N 3.28Å; I435-E437 PolarHBondContact O-N 3.3Å
436	A	98	Very high	98.2	Very high	72 Å²	72	32.7 Å²	32.7	60%	0.595	19%	0.192	S	C	*	.	S	Bend	trans	55.5	39	-179.7	0	0	0	0	0	113.7	S116 G118	S116-A436 WeakPolarHBondContact O-CB 3.24Å; S116-A436 PolarHBondContact O-N 2.87Å; G118-A436 PolarHBondContact O-N 2.78Å
437	E	98.2	Very high	98.2	Very high	97 Å²	97	32.7 Å²	32.7	45%	0.453	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.2	-174.2	-77.3	-73.7	-176.2	0	0	112.9	G118 V119 R120 K434 I435	G118-E437 PolarHBondContact O-N 3.42Å; G118-E437 VanDerWaalsContact O-N 3.12Å; V119-E437 VanDerWaalsContact CA-O 3.3Å; V119-E437 WeakPolarHBondContact CA-O 3.39Å; V119-E437 HydrophobicContact CB-CB 4.49Å; V119-E437 HydrophobicContact CG2-CB 4.23Å; R120-E437 PolarHBondContact N-O 2.96Å; K434-E437 HydrophobicContact CB-CB 3.92Å; K434-E437 HydrophobicContact CB-CG 3.84Å; K434-E437 HydrophobicContact CD-CB 4.32Å; K434-E437 HydrophobicContact CD-CG 4.06Å; I435-E437 VanDerWaalsContact C-N 3.28Å; I435-E437 PolarHBondContact O-N 3.3Å
438	S	98	Very high	98.2	Very high	77 Å²	77	32.7 Å²	32.7	54%	0.538	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.6	170.3	-172.2	0	0	0	0	110.8	R120	R120-S438 CarbonylContact O-C 3.39Å; R120-S438 VanDerWaalsContact O-CA 3.25Å; R120-S438 WeakPolarHBondContact O-CA 3.29Å; R120-S438 PolarHBondContact O-OG 3.29Å
439	V	98	Very high	98.2	Very high	8 Å²	8	33 Å²	33	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.5	174.3	-61.8	0	0	0	0	110.8	V119 R120 A121 A122 V442 I472	V119-V439 HydrophobicContact CG2-CG1 3.9Å; V119-V439 HydrophobicContact CG2-CG2 4.35Å; R120-V439 PolarHBondContact O-N 3.16Å; A121-V439 CarbonylContact C-O 3.11Å; A121-V439 WeakPolarHBondContact CA-O 3.26Å; A121-V439 HydrophobicContact CB-CG2 3.81Å; A122-V439 PolarHBondContact N-O 3.21Å; V439-V442 HydrophobicContact CG2-CG1 4.05Å; V439-I472 HydrophobicContact CB-CG2 4.48Å; V439-I472 HydrophobicContact CG1-CG2 4.09Å; V439-I472 HydrophobicContact CG2-CG2 3.81Å
440	P	97.1	Very high	98.2	Very high	94 Å²	94	31.8 Å²	31.8	61%	0.61	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	-44.6	-175.3	-22.6	33.6	0	0	0	113.5	K123	K123-P440 PolarHBondContact N-O 3.17Å; K123-P440 VanDerWaalsContact N-O 3.07Å
441	T	97.7	Very high	98.2	Very high	50 Å²	50	31.4 Å²	31.4	31%	0.307	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	140.6	-170.7	-56.4	0	0	0	0	111.7	K123 I125	K123-T441 HydrophobicContact CB-CG2 4.38Å; K123-T441 CarbonylContact O-C 3.59Å; K123-T441 VanDerWaalsContact O-CA 3.23Å; K123-T441 WeakPolarHBondContact O-CA 3.3Å; I125-T441 HydrophobicContact CD1-CG2 4.4Å; I125-T441 HydrophobicContact CG1-CG2 3.7Å
442	V	98.4	Very high	98.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	158.5	165.6	-62.2	0	0	0	0	109.1	A121 K123 S124 I125 F426 V439 I469 I472	A121-V442 HydrophobicContact CB-CB 4.27Å; A121-V442 HydrophobicContact CB-CG1 3.79Å; A121-V442 HydrophobicContact CB-CG2 3.58Å; K123-V442 PolarHBondContact O-N 3.32Å; S124-V442 CarbonylContact C-O 3.58Å; S124-V442 WeakPolarHBondContact CA-O 3.45Å; S124-V442 WeakPolarHBondContact OG-CG2 3.41Å; I125-V442 PolarHBondContact N-O 3.01Å; F426-V442 HydrophobicContact CB-CG2 3.89Å; F426-V442 HydrophobicContact CD1-CG1 4.37Å; F426-V442 HydrophobicContact CD1-CG2 4.07Å; F426-V442 HydrophobicContact CD2-CG2 4.06Å; F426-V442 HydrophobicContact CE1-CG1 4.41Å; F426-V442 HydrophobicContact CG-CG2 3.75Å; V439-V442 HydrophobicContact CG2-CG1 4.05Å; V442-I469 HydrophobicContact CB-CD1 4.48Å; V442-I469 HydrophobicContact CG1-CG1 4.36Å; V442-I472 HydrophobicContact CG1-CG2 4.06Å
443	H	98.5	Very high	98.1	Very high	54 Å²	54	30.6 Å²	30.6	25%	0.25	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.7	174.6	-60.5	-107.7	0	0	0	110.5	I125 V445 D446 R468	I125-H443 CarbonylContact O-C 3.57Å; I125-H443 WeakPolarHBondContact O-CA 3.47Å; H443-V445 HydrophobicContact CB-CG2 3.88Å; H443-V445 PolarHBondContact O-N 3.39Å; H443-D446 WeakPolarHBondContact CB-OD2 3.43Å; H443-D446 IonicContact CD2-OD2 2.68Å; H443-D446 IonicContact CG-OD2 2.82Å; H443-D446 WeakPolarHBondContact O-CB 3.18Å; H443-D446 PolarHBondContact O-N 3.25Å; H443-R468 PolarHBondContact CD2-NE 3.35Å
444	A	98.6	Very high	97.9	Very high	6 Å²	6	31.9 Å²	31.9	5%	0.05	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-36.4	178.9	0	0	0	0	0	112.5	I125 T138 L139 D446 V447	I125-A444 PolarHBondContact O-N 3.23Å; T138-A444 HydrophobicContact CG2-CB 4.28Å; L139-A444 HydrophobicContact CD2-CB 4.14Å; A444-D446 PolarHBondContact O-N 3.23Å; A444-V447 WeakPolarHBondContact O-CB 3.38Å; A444-V447 PolarHBondContact O-N 2.99Å
445	V	98.5	Very high	97.8	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-24.7	175.3	-68.2	0	0	0	0	113.2	V127 T138 G142 Y144 H443 P449 N463 G464	V127-V445 HydrophobicContact CG1-CG1 3.89Å; T138-V445 HydrophobicContact CG2-CB 4.43Å; T138-V445 HydrophobicContact CG2-CG1 3.65Å; G142-V445 WeakPolarHBondContact CA-O 3.27Å; Y144-V445 HydrophobicContact CD1-CG1 4.05Å; Y144-V445 HydrophobicContact CE1-CG1 3.75Å; H443-V445 HydrophobicContact CB-CG2 3.88Å; H443-V445 PolarHBondContact O-N 3.39Å; V445-P449 VanDerWaalsContact O-CD 3.22Å; V445-P449 WeakPolarHBondContact O-CD 3.21Å; V445-N463 HydrophobicContact CG1-CB 4.36Å; V445-G464 VanDerWaalsContact O-CA 3.28Å; V445-G464 WeakPolarHBondContact O-CA 3.35Å
446	D	98.8	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-82.2	-15.9	-178.8	-59.9	-25.8	0	0	0	113.4	H443 A444 Y448 P449 L450 G464 S465 R468 I469	H443-D446 WeakPolarHBondContact CB-OD2 3.43Å; H443-D446 IonicContact CD2-OD2 2.68Å; H443-D446 IonicContact CG-OD2 2.82Å; H443-D446 WeakPolarHBondContact O-CB 3.18Å; H443-D446 PolarHBondContact O-N 3.25Å; A444-D446 PolarHBondContact O-N 3.23Å; D446-Y448 VanDerWaalsContact C-N 3.29Å; D446-Y448 PolarHBondContact O-N 2.9Å; D446-P449 VanDerWaalsContact O-CD 3.25Å; D446-P449 WeakPolarHBondContact O-CD 3.43Å; D446-P449 WeakPolarHBondContact O-CG 3.44Å; D446-L450 VanDerWaalsContact O-CB 3.3Å; D446-L450 WeakPolarHBondContact O-CB 3.35Å; D446-L450 PolarHBondContact O-N 2.89Å; D446-L450 VanDerWaalsContact O-N 3.15Å; D446-G464 WeakPolarHBondContact OD1-CA 3.5Å; D446-S465 PolarHBondContact OD1-N 3.06Å; D446-R468 IonicContact OD1-CZ 3.51Å; D446-R468 VanDerWaalsContact OD1-CZ 3.29Å; D446-R468 IonicContact OD1-NE 3.07Å; D446-R468 PolarHBondContact OD1-NE 3.46Å; D446-R468 IonicContact OD1-NH2 2.84Å; D446-R468 PolarHBondContact OD1-NH2 2.86Å; D446-R468 IonicContact OD2-CZ 2.84Å; D446-R468 IonicContact OD2-NE 2.91Å; D446-R468 PolarHBondContact OD2-NE 3.2Å; D446-R468 IonicContact OD2-NH2 3.34Å; D446-R468 PolarHBondContact OD2-NH2 3.04Å; D446-I469 HydrophobicContact CB-CB 3.67Å; D446-I469 HydrophobicContact CB-CD1 3.7Å; D446-I469 HydrophobicContact CB-CG1 4.25Å; D446-I469 HydrophobicContact CB-CG2 3.85Å
447	V	98.8	Very high	97.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-38.3	179.9	-177.8	0	0	0	0	110.4	L85 L139 I305 F426 A444 L450 M451	L85-V447 HydrophobicContact CD1-CG1 4.21Å; L139-V447 HydrophobicContact CD2-CB 3.94Å; L139-V447 HydrophobicContact CD2-CG1 4.19Å; L139-V447 HydrophobicContact CD2-CG2 3.83Å; I305-V447 HydrophobicContact CD1-CG1 4.48Å; I305-V447 HydrophobicContact CG2-CG1 4.47Å; F426-V447 HydrophobicContact CE2-CG2 4.01Å; A444-V447 WeakPolarHBondContact O-CB 3.38Å; A444-V447 PolarHBondContact O-N 2.99Å; V447-L450 WeakPolarHBondContact O-CB 3.33Å; V447-L450 PolarHBondContact O-N 3.39Å; V447-M451 HydrophobicContact CG1-CE 4.1Å; V447-M451 HydrophobicContact CG1-CG 4.35Å; V447-M451 HydrophobicContact CG1-SD 4.34Å; V447-M451 VanDerWaalsContact O-CG 3.28Å; V447-M451 WeakPolarHBondContact O-CG 3.09Å; V447-M451 PolarHBondContact O-N 3.31Å
448	Y	98.8	Very high	96.7	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-59	176.8	172	-104.5	0	0	0	113.9	I140 T141 G142 I186 D446 L450 M451 C452 P459 N460 N462	I140-Y448 VanDerWaalsContact C-CD2 3.48Å; I140-Y448 VanDerWaalsContact O-CD2 3.28Å; I140-Y448 WeakPolarHBondContact O-CD2 3.37Å; I140-Y448 WeakPolarHBondContact O-CE2 3.41Å; T141-Y448 VanDerWaalsContact O-CD1 3.26Å; T141-Y448 WeakPolarHBondContact O-CD1 3.4Å; T141-Y448 WeakPolarHBondContact O-CE1 2.88Å; G142-Y448 VanDerWaalsContact CA-CB 3.46Å; I186-Y448 HydrophobicContact CB-CD2 4.02Å; I186-Y448 HydrophobicContact CB-CE2 3.8Å; I186-Y448 HydrophobicContact CD1-CD2 4.25Å; I186-Y448 HydrophobicContact CD1-CE2 4.42Å; I186-Y448 HydrophobicContact CG1-CD2 4.43Å; I186-Y448 HydrophobicContact CG1-CE2 4.18Å; D446-Y448 VanDerWaalsContact C-N 3.29Å; D446-Y448 PolarHBondContact O-N 2.9Å; Y448-L450 PolarHBondContact O-N 3.48Å; Y448-M451 PolarHBondContact O-N 3.14Å; Y448-M451 VanDerWaalsContact O-N 3.1Å; Y448-C452 VanDerWaalsContact CE2-SG 3.59Å; Y448-C452 VanDerWaalsContact CZ-SG 3.59Å; Y448-C452 PolarHBondContact O-N 3.25Å; Y448-C452 PolarHBondContact O-SG 3.14Å; Y448-P459 HydrophobicContact CD1-CB 4.42Å; Y448-P459 HydrophobicContact CE1-CB 3.65Å; Y448-N460 PolarHBondContact OH-N 2.96Å; Y448-N462 HydrophobicContact CD1-CB 3.9Å; Y448-N462 HydrophobicContact CE1-CB 3.98Å
449	P	98.1	Very high	96.5	Very high	7 Å²	7	24 Å²	24	5%	0.045	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-29.6	179.8	25.8	-35	0	0	0	112.6	V445 D446 A453 L466	V445-P449 VanDerWaalsContact O-CD 3.22Å; V445-P449 WeakPolarHBondContact O-CD 3.21Å; D446-P449 VanDerWaalsContact O-CD 3.25Å; D446-P449 WeakPolarHBondContact O-CD 3.43Å; D446-P449 WeakPolarHBondContact O-CG 3.44Å; P449-A453 WeakPolarHBondContact O-CB 3.37Å; P449-A453 PolarHBondContact O-N 3.15Å; P449-L466 HydrophobicContact CB-CB 4.4Å
450	L	98.5	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-53.4	169.4	169.9	66.8	0	0	0	111.2	I305 F433 D446 V447 Y448 C452 A453 L454 I469 I472 L473	I305-L450 HydrophobicContact CD1-CD2 3.86Å; I305-L450 HydrophobicContact CD1-CG 4.46Å; F433-L450 HydrophobicContact CE1-CD1 4.45Å; F433-L450 HydrophobicContact CE1-CD2 4.25Å; D446-L450 VanDerWaalsContact O-CB 3.3Å; D446-L450 WeakPolarHBondContact O-CB 3.35Å; D446-L450 PolarHBondContact O-N 2.89Å; D446-L450 VanDerWaalsContact O-N 3.15Å; V447-L450 WeakPolarHBondContact O-CB 3.33Å; V447-L450 PolarHBondContact O-N 3.39Å; Y448-L450 PolarHBondContact O-N 3.48Å; L450-C452 VanDerWaalsContact C-N 3.35Å; L450-C452 PolarHBondContact O-N 2.92Å; L450-A453 PolarHBondContact O-N 3.17Å; L450-L454 HydrophobicContact CD1-CD1 4.01Å; L450-L454 HydrophobicContact CD1-CG 4.16Å; L450-L454 HydrophobicContact CG-CD1 4.06Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 2.92Å; L450-I469 HydrophobicContact CB-CD1 4.43Å; L450-I469 HydrophobicContact CB-CG2 4.01Å; L450-I469 HydrophobicContact CD2-CD1 3.81Å; L450-I469 HydrophobicContact CD2-CG1 4.33Å; L450-I472 HydrophobicContact CD2-CD1 3.72Å; L450-L473 HydrophobicContact CD1-CD1 4.22Å; L450-L473 HydrophobicContact CD1-CD2 3.99Å; L450-L473 HydrophobicContact CD1-CG 4.34Å
451	M	98.4	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-43.3	179.1	-70.5	-170.6	-64.3	0	0	111.5	V83 L85 L139 I186 L253 I305 V447 Y448 A453 L454 L455	V83-M451 HydrophobicContact CG1-CG 3.97Å; V83-M451 HydrophobicContact CG1-SD 4.37Å; L85-M451 HydrophobicContact CB-SD 4.05Å; L85-M451 HydrophobicContact CD2-CE 3.97Å; L85-M451 HydrophobicContact CD2-SD 3.8Å; L85-M451 HydrophobicContact CG-SD 4.41Å; L139-M451 WeakPolarHBondContact O-CE 3.22Å; I186-M451 HydrophobicContact CD1-CB 3.36Å; I186-M451 HydrophobicContact CD1-CE 3.88Å; I186-M451 HydrophobicContact CD1-CG 4.44Å; I186-M451 HydrophobicContact CD1-SD 4.35Å; I186-M451 HydrophobicContact CG2-CE 4.45Å; L253-M451 HydrophobicContact CD1-SD 4.19Å; I305-M451 HydrophobicContact CD1-CG 3.95Å; V447-M451 HydrophobicContact CG1-CE 4.1Å; V447-M451 HydrophobicContact CG1-CG 4.35Å; V447-M451 HydrophobicContact CG1-SD 4.34Å; V447-M451 VanDerWaalsContact O-CG 3.28Å; V447-M451 WeakPolarHBondContact O-CG 3.09Å; V447-M451 PolarHBondContact O-N 3.31Å; Y448-M451 PolarHBondContact O-N 3.14Å; Y448-M451 VanDerWaalsContact O-N 3.1Å; M451-A453 VanDerWaalsContact C-N 3.31Å; M451-A453 PolarHBondContact O-N 3.38Å; M451-L454 PolarHBondContact O-N 3.35Å; M451-L455 VanDerWaalsContact O-CB 3.31Å; M451-L455 WeakPolarHBondContact O-CB 3.33Å; M451-L455 WeakPolarHBondContact O-CD1 3.34Å; M451-L455 WeakPolarHBondContact O-CG 3.44Å; M451-L455 PolarHBondContact O-N 2.71Å
452	C	96.8	Very high	96.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.9	-45.1	175.2	-71	0	0	0	0	111.9	Y448 L450 L455 N456 I457 P459	Y448-C452 VanDerWaalsContact CE2-SG 3.59Å; Y448-C452 VanDerWaalsContact CZ-SG 3.59Å; Y448-C452 PolarHBondContact O-N 3.25Å; Y448-C452 PolarHBondContact O-SG 3.14Å; L450-C452 VanDerWaalsContact C-N 3.35Å; L450-C452 PolarHBondContact O-N 2.92Å; C452-L455 CarbonylContact O-C 3.59Å; C452-L455 PolarHBondContact O-N 3.14Å; C452-N456 PolarHBondContact O-N 3.31Å; C452-I457 CarbonylContact C-O 3.48Å; C452-I457 HydrophobicContact CB-CD1 4.41Å; C452-I457 HydrophobicContact CB-CG1 3.84Å; C452-I457 WeakPolarHBondContact O-CG1 3.31Å; C452-I457 PolarHBondContact O-N 2.87Å; C452-P459 HydrophobicContact CB-CB 3.93Å; C452-P459 HydrophobicContact CB-CG 4.43Å
453	A	95	Very high	96.2	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-42.1	178.1	0	0	0	0	0	112.5	P449 L450 M451 L455 N456 L466 L481	P449-A453 WeakPolarHBondContact O-CB 3.37Å; P449-A453 PolarHBondContact O-N 3.15Å; L450-A453 PolarHBondContact O-N 3.17Å; M451-A453 VanDerWaalsContact C-N 3.31Å; M451-A453 PolarHBondContact O-N 3.38Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 PolarHBondContact O-N 2.53Å; A453-N456 PolarHBondContact O-N 2.85Å; A453-N456 VanDerWaalsContact O-N 3.13Å; A453-L466 HydrophobicContact CB-CD1 3.82Å; A453-L466 HydrophobicContact CB-CD2 3.75Å; A453-L466 HydrophobicContact CB-CG 4.47Å; A453-L481 HydrophobicContact CB-CB 4.33Å; A453-L481 HydrophobicContact CB-CD1 4Å; A453-L481 HydrophobicContact CB-CD2 4.29Å; A453-L481 HydrophobicContact CB-CG 4.43Å; A453-L481 WeakPolarHBondContact O-CD2 3.37Å
454	L	95.9	Very high	96.2	Very high	28 Å²	28	28.2 Å²	28.2	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-34.8	175.5	-68.9	174.6	0	0	0	112.4	V83 S432 F433 L450 M451 N456 L473 L481	V83-L454 HydrophobicContact CG2-CB 3.63Å; V83-L454 HydrophobicContact CG2-CD1 4.18Å; S432-L454 WeakPolarHBondContact OG-CD2 3.15Å; F433-L454 HydrophobicContact CZ-CD1 3.88Å; L450-L454 HydrophobicContact CD1-CD1 4.01Å; L450-L454 HydrophobicContact CD1-CG 4.16Å; L450-L454 HydrophobicContact CG-CD1 4.06Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 2.92Å; M451-L454 PolarHBondContact O-N 3.35Å; L454-N456 VanDerWaalsContact C-N 3.31Å; L454-L473 HydrophobicContact CD2-CD2 4.31Å; L454-L481 HydrophobicContact CD2-CD1 4.08Å
455	L	95	Very high	96.1	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.4	176.5	-67.9	168.2	0	0	0	113.3	F77 V83 I186 L190 N252 L253 M451 C452 A453 I457	F77-L455 VanDerWaalsContact CE1-O 3.29Å; F77-L455 WeakPolarHBondContact CE1-O 3.19Å; V83-L455 HydrophobicContact CB-CD2 4.27Å; V83-L455 HydrophobicContact CB-CG 4.49Å; V83-L455 HydrophobicContact CG2-CD2 3.91Å; V83-L455 HydrophobicContact CG2-CG 3.98Å; I186-L455 HydrophobicContact CD1-CD1 3.88Å; I186-L455 HydrophobicContact CG1-CD1 4.25Å; L190-L455 HydrophobicContact CD1-CB 4.48Å; L190-L455 HydrophobicContact CD1-CD1 4.43Å; L190-L455 HydrophobicContact CD1-CD2 4.29Å; L190-L455 HydrophobicContact CD2-CD1 4.4Å; N252-L455 HydrophobicContact CB-CD2 3.81Å; N252-L455 WeakPolarHBondContact O-CD2 3.48Å; L253-L455 HydrophobicContact CB-CD1 4.27Å; L253-L455 HydrophobicContact CB-CD2 4.42Å; L253-L455 HydrophobicContact CD1-CD1 4.48Å; M451-L455 VanDerWaalsContact O-CB 3.31Å; M451-L455 WeakPolarHBondContact O-CB 3.33Å; M451-L455 WeakPolarHBondContact O-CD1 3.34Å; M451-L455 WeakPolarHBondContact O-CG 3.44Å; M451-L455 PolarHBondContact O-N 2.71Å; C452-L455 CarbonylContact O-C 3.59Å; C452-L455 PolarHBondContact O-N 3.14Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 PolarHBondContact O-N 2.53Å; L455-I457 VanDerWaalsContact C-N 3.27Å; L455-I457 HydrophobicContact CB-CD1 4.22Å; L455-I457 HydrophobicContact CB-CG1 4Å; L455-I457 HydrophobicContact CD1-CD1 4.13Å; L455-I457 PolarHBondContact O-N 3.48Å
456	N	90.6	Very high	96.1	Very high	91 Å²	91	30.3 Å²	30.3	49%	0.487	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	40.2	-174.4	-170.8	50.5	0	0	0	113.3	C452 A453 L454 W484	C452-N456 PolarHBondContact O-N 3.31Å; A453-N456 PolarHBondContact O-N 2.85Å; A453-N456 VanDerWaalsContact O-N 3.13Å; L454-N456 VanDerWaalsContact C-N 3.31Å; N456-W484 PolarHBondContact OD1-NE1 3.41Å; N456-W484 VanDerWaalsContact OD1-NE1 3.13Å
457	I	90.7	Very high	96	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	21%	0.209	C	C	.	.			trans	-112.4	150.4	171.5	58.4	178.5	0	0	0	110	F77 I186 T189 L190 N193 C452 L455	F77-I457 HydrophobicContact CE1-CG2 4.09Å; F77-I457 HydrophobicContact CZ-CG2 3.69Å; I186-I457 HydrophobicContact CG1-CD1 4.02Å; T189-I457 HydrophobicContact CG2-CD1 4.12Å; L190-I457 HydrophobicContact CB-CD1 4.16Å; L190-I457 HydrophobicContact CD1-CG2 4.28Å; N193-I457 HydrophobicContact CB-CG2 3.85Å; C452-I457 CarbonylContact C-O 3.48Å; C452-I457 HydrophobicContact CB-CD1 4.41Å; C452-I457 HydrophobicContact CB-CG1 3.84Å; C452-I457 WeakPolarHBondContact O-CG1 3.31Å; C452-I457 PolarHBondContact O-N 2.87Å; L455-I457 VanDerWaalsContact C-N 3.27Å; L455-I457 HydrophobicContact CB-CD1 4.22Å; L455-I457 HydrophobicContact CB-CG1 4Å; L455-I457 HydrophobicContact CD1-CD1 4.13Å; L455-I457 PolarHBondContact O-N 3.48Å
458	Q	90	Very high	95.9	Very high	97 Å²	97	42.2 Å²	42.2	45%	0.453	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-77.7	125.3	174.7	-66.1	-59	-53.8	0	0	109.4	N485	Q458-N485 PolarHBondContact NE2-OD1 2.71Å
459	P	94.7	Very high	95.9	Very high	39 Å²	39	42.2 Å²	42.2	25%	0.253	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-71	145.3	176.2	29.4	-33.4	0	0	0	110.6	Y448 C452	Y448-P459 HydrophobicContact CD1-CB 4.42Å; Y448-P459 HydrophobicContact CE1-CB 3.65Å; C452-P459 HydrophobicContact CB-CB 3.93Å; C452-P459 HydrophobicContact CB-CG 4.43Å
460	N	94.7	Very high	95.8	Very high	59 Å²	59	42.7 Å²	42.7	32%	0.316	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-65.5	162.1	164.9	-73.7	-46.6	0	0	0	110.4	E184 T189 Y448 N462	E184-N460 PolarHBondContact OE1-ND2 2.93Å; T189-N460 PolarHBondContact OG1-ND2 2.89Å; Y448-N460 PolarHBondContact OH-N 2.96Å; N460-N462 PolarHBondContact O-N 2.9Å; N460-N462 PolarHBondContact O-ND2 3.38Å
461	P	95.5	Very high	95.8	Very high	121 Å²	121	45.6 Å²	45.6	79%	0.786	25%	0.246	S	C	*	.	S	Bend	trans	-50.8	125.7	173	-26.8	35.4	0	0	0	111.1
462	N	96.9	Very high	95.8	Very high	42 Å²	42	45.6 Å²	45.6	23%	0.225	25%	0.246	C	C	.	.			trans	-146.6	169.7	-172.8	67.7	90.3	0	0	0	111.2	Y448 N460 G464	Y448-N462 HydrophobicContact CD1-CB 3.9Å; Y448-N462 HydrophobicContact CE1-CB 3.98Å; N460-N462 PolarHBondContact O-N 2.9Å; N460-N462 PolarHBondContact O-ND2 3.38Å; N462-G464 VanDerWaalsContact OD1-CA 3.32Å; N462-G464 WeakPolarHBondContact OD1-CA 3.19Å; N462-G464 PolarHBondContact OD1-N 2.95Å; N462-G464 PolarHBondContact OD1-O 2.91Å
463	N	97.3	Very high	95.8	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	25%	0.246	S	C	.	.	S	Bend	trans	-92.9	-1.1	179.3	-56	111.3	0	0	0	113.5	G142 L143 Y144 N147 V445	G142-N463 WeakPolarHBondContact O-CA 3.24Å; G142-N463 WeakPolarHBondContact O-CB 3.32Å; G142-N463 PolarHBondContact O-N 3.22Å; L143-N463 VanDerWaalsContact CA-OD1 3.27Å; L143-N463 WeakPolarHBondContact CA-OD1 3.38Å; Y144-N463 HydrophobicContact CD2-CB 3.68Å; Y144-N463 WeakPolarHBondContact CD2-OD1 3.49Å; Y144-N463 HydrophobicContact CE2-CB 3.49Å; Y144-N463 VanDerWaalsContact CE2-CB 3.49Å; Y144-N463 HydrophobicContact CG-CB 4.44Å; Y144-N463 PolarHBondContact N-OD1 3.14Å; N147-N463 PolarHBondContact OD1-OD1 2.98Å; V445-N463 HydrophobicContact CG1-CB 4.36Å
464	G	97.9	Very high	96	Very high	19 Å²	19	48.1 Å²	48.1	20%	0.196	26%	0.256	C	S	.	.			trans	-81	170.6	177	0	0	0	0	0	113.5	G142 V445 D446 N462	G142-G464 PolarHBondContact O-N 3.32Å; V445-G464 VanDerWaalsContact O-CA 3.28Å; V445-G464 WeakPolarHBondContact O-CA 3.35Å; D446-G464 WeakPolarHBondContact OD1-CA 3.5Å; N462-G464 VanDerWaalsContact OD1-CA 3.32Å; N462-G464 WeakPolarHBondContact OD1-CA 3.19Å; N462-G464 PolarHBondContact OD1-N 2.95Å; N462-G464 PolarHBondContact OD1-O 2.91Å
465	S	97.7	Very high	96	Very high	33 Å²	33	51 Å²	51	23%	0.231	28%	0.276	C	S	.	.			trans	-138.7	114.9	175.6	170.8	0	0	0	0	110.1	D446 E467 R468 I469	D446-S465 PolarHBondContact OD1-N 3.06Å; S465-E467 VanDerWaalsContact C-N 3.26Å; S465-E467 PolarHBondContact O-N 3.5Å; S465-E467 PolarHBondContact OG-N 3.14Å; S465-R468 PolarHBondContact O-N 2.93Å; S465-R468 WeakPolarHBondContact OG-CB 3.44Å; S465-R468 PolarHBondContact OG-N 2.65Å; S465-I469 PolarHBondContact O-N 3.37Å
466	L	97.5	Very high	95.9	Very high	20 Å²	20	55 Å²	55	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-37.6	172	-178.7	62.5	0	0	0	111.2	P449 A453 I469 S470 L481 L482	P449-L466 HydrophobicContact CB-CB 4.4Å; A453-L466 HydrophobicContact CB-CD1 3.82Å; A453-L466 HydrophobicContact CB-CD2 3.75Å; A453-L466 HydrophobicContact CB-CG 4.47Å; L466-I469 PolarHBondContact O-N 3.44Å; L466-S470 VanDerWaalsContact O-CB 3.25Å; L466-S470 WeakPolarHBondContact O-CB 3.3Å; L466-S470 PolarHBondContact O-N 3.49Å; L466-L481 HydrophobicContact CD2-CB 4.43Å; L466-L482 HydrophobicContact CB-CD2 4.46Å; L466-L482 HydrophobicContact CD2-CD2 4.16Å; L466-L482 HydrophobicContact CG-CD2 3.9Å
467	E	96.8	Very high	96.2	Very high	149 Å²	149	50.8 Å²	50.8	70%	0.696	28%	0.275	S	S	*	.	H	α-helix	trans	-60.1	-47.5	177.4	-173.2	178.4	-177.2	0	0	111.2	S465 I469 S470 L482	S465-E467 VanDerWaalsContact C-N 3.26Å; S465-E467 PolarHBondContact O-N 3.5Å; S465-E467 PolarHBondContact OG-N 3.14Å; E467-I469 PolarHBondContact O-N 3Å; E467-S470 WeakPolarHBondContact O-CB 2.96Å; E467-S470 PolarHBondContact O-N 2.9Å; E467-S470 PolarHBondContact O-OG 2.85Å; E467-L482 HydrophobicContact CB-CD2 4.24Å
468	R	97.3	Very high	96.4	Very high	103 Å²	103	51.2 Å²	51.2	39%	0.389	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-44.9	-179.9	-176.7	166	59.6	-137.3	5.3	112.8	H443 D446 S465	H443-R468 PolarHBondContact CD2-NE 3.35Å; D446-R468 IonicContact OD1-CZ 3.51Å; D446-R468 VanDerWaalsContact OD1-CZ 3.29Å; D446-R468 IonicContact OD1-NE 3.07Å; D446-R468 PolarHBondContact OD1-NE 3.46Å; D446-R468 IonicContact OD1-NH2 2.84Å; D446-R468 PolarHBondContact OD1-NH2 2.86Å; D446-R468 IonicContact OD2-CZ 2.84Å; D446-R468 IonicContact OD2-NE 2.91Å; D446-R468 PolarHBondContact OD2-NE 3.2Å; D446-R468 IonicContact OD2-NH2 3.34Å; D446-R468 PolarHBondContact OD2-NH2 3.04Å; S465-R468 PolarHBondContact O-N 2.93Å; S465-R468 WeakPolarHBondContact OG-CB 3.44Å; S465-R468 PolarHBondContact OG-N 2.65Å
469	I	98.1	Very high	96.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-86.4	-10.6	-178.7	-163.9	162.6	0	0	0	113.7	V442 D446 L450 S465 L466 E467 N471 I472	V442-I469 HydrophobicContact CB-CD1 4.48Å; V442-I469 HydrophobicContact CG1-CG1 4.36Å; D446-I469 HydrophobicContact CB-CB 3.67Å; D446-I469 HydrophobicContact CB-CD1 3.7Å; D446-I469 HydrophobicContact CB-CG1 4.25Å; D446-I469 HydrophobicContact CB-CG2 3.85Å; L450-I469 HydrophobicContact CB-CD1 4.43Å; L450-I469 HydrophobicContact CB-CG2 4.01Å; L450-I469 HydrophobicContact CD2-CD1 3.81Å; L450-I469 HydrophobicContact CD2-CG1 4.33Å; S465-I469 PolarHBondContact O-N 3.37Å; L466-I469 PolarHBondContact O-N 3.44Å; E467-I469 PolarHBondContact O-N 3Å; I469-N471 PolarHBondContact O-N 3.01Å; I469-N471 PolarHBondContact O-OD1 3.05Å; I469-I472 HydrophobicContact CD1-CD1 4.2Å; I469-I472 HydrophobicContact CG1-CD1 3.83Å; I469-I472 HydrophobicContact CG1-CG1 4.29Å; I469-I472 HydrophobicContact CG1-CG2 4.4Å; I469-I472 WeakPolarHBondContact O-CG1 3.48Å; I469-I472 PolarHBondContact O-N 2.87Å
470	S	97.3	Very high	96.2	Very high	17 Å²	17	54.9 Å²	54.9	12%	0.119	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.5	-20.5	-175.4	67.1	0	0	0	0	114.5	L466 E467 I472 L473	L466-S470 VanDerWaalsContact O-CB 3.25Å; L466-S470 WeakPolarHBondContact O-CB 3.3Å; L466-S470 PolarHBondContact O-N 3.49Å; E467-S470 WeakPolarHBondContact O-CB 2.96Å; E467-S470 PolarHBondContact O-N 2.9Å; E467-S470 PolarHBondContact O-OG 2.85Å; S470-I472 PolarHBondContact O-N 2.83Å; S470-I472 VanDerWaalsContact O-N 3.14Å; S470-L473 WeakPolarHBondContact O-CB 3.45Å; S470-L473 PolarHBondContact O-N 3.23Å
471	N	96.9	Very high	96	Very high	60 Å²	60	52.8 Å²	52.8	32%	0.321	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-63.6	-14.8	178.4	68	-12.3	0	0	0	114.3	K434 I469 L473	K434-N471 WeakPolarHBondContact CD-O 3.29Å; K434-N471 WeakPolarHBondContact CE-O 3.36Å; K434-N471 PolarHBondContact NZ-O 3.41Å; I469-N471 PolarHBondContact O-N 3.01Å; I469-N471 PolarHBondContact O-OD1 3.05Å; N471-L473 VanDerWaalsContact C-N 3.34Å
472	I	98.5	Very high	95.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-81.2	-15.5	173.7	77.9	175.9	0	0	0	112.9	V119 F426 F433 K434 V439 V442 L450 I469 S470	V119-I472 HydrophobicContact CG1-CB 3.88Å; V119-I472 HydrophobicContact CG2-CB 4.18Å; V119-I472 HydrophobicContact CG2-CG2 4.41Å; F426-I472 HydrophobicContact CE1-CD1 3.93Å; F426-I472 HydrophobicContact CZ-CD1 3.96Å; F433-I472 HydrophobicContact CD1-CD1 3.91Å; F433-I472 HydrophobicContact CD1-CG1 3.91Å; F433-I472 HydrophobicContact CE1-CD1 3.63Å; F433-I472 HydrophobicContact CE1-CG1 4.03Å; K434-I472 PolarHBondContact N-O 3.47Å; V439-I472 HydrophobicContact CB-CG2 4.48Å; V439-I472 HydrophobicContact CG1-CG2 4.09Å; V439-I472 HydrophobicContact CG2-CG2 3.81Å; V442-I472 HydrophobicContact CG1-CG2 4.06Å; L450-I472 HydrophobicContact CD2-CD1 3.72Å; I469-I472 HydrophobicContact CD1-CD1 4.2Å; I469-I472 HydrophobicContact CG1-CD1 3.83Å; I469-I472 HydrophobicContact CG1-CG1 4.29Å; I469-I472 HydrophobicContact CG1-CG2 4.4Å; I469-I472 WeakPolarHBondContact O-CG1 3.48Å; I469-I472 PolarHBondContact O-N 2.87Å; S470-I472 PolarHBondContact O-N 2.83Å; S470-I472 VanDerWaalsContact O-N 3.14Å
473	L	98.5	Very high	95	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-88.5	155.4	-175.7	-61.1	170	0	0	0	111.4	S432 F433 K434 L450 L454 S470 N471 V477 A478 L481	S432-L473 WeakPolarHBondContact O-CA 3.33Å; S432-L473 WeakPolarHBondContact O-CD2 3.42Å; F433-L473 HydrophobicContact CD1-CD2 3.87Å; F433-L473 HydrophobicContact CE1-CD2 3.89Å; K434-L473 WeakPolarHBondContact CE-O 3.22Å; K434-L473 VanDerWaalsContact CG-O 3.29Å; K434-L473 WeakPolarHBondContact CG-O 3.48Å; L450-L473 HydrophobicContact CD1-CD1 4.22Å; L450-L473 HydrophobicContact CD1-CD2 3.99Å; L450-L473 HydrophobicContact CD1-CG 4.34Å; L454-L473 HydrophobicContact CD2-CD2 4.31Å; S470-L473 WeakPolarHBondContact O-CB 3.45Å; S470-L473 PolarHBondContact O-N 3.23Å; N471-L473 VanDerWaalsContact C-N 3.34Å; L473-V477 HydrophobicContact CB-CB 4.45Å; L473-V477 HydrophobicContact CB-CG1 4.31Å; L473-V477 HydrophobicContact CD1-CG1 4.38Å; L473-V477 HydrophobicContact CD2-CG1 4.19Å; L473-A478 HydrophobicContact CB-CB 4.08Å; L473-L481 HydrophobicContact CD1-CD1 3.89Å
474	K	98.2	Very high	93.5	Very high	59 Å²	59	54.6 Å²	54.6	26%	0.257	27%	0.274	S	S	.	.			trans	-58.4	144.4	168.7	-62.9	178.9	-178	165.8	0	109.7	P431 S432 F433 D476 V477 A478	P431-K474 WeakPolarHBondContact O-CE 3.28Å; P431-K474 PolarHBondContact O-NZ 2.71Å; S432-K474 PolarHBondContact O-N 3.16Å; F433-K474 WeakPolarHBondContact O-CE 3.48Å; F433-K474 VanDerWaalsContact O-CG 3.28Å; F433-K474 WeakPolarHBondContact O-CG 3.24Å; K474-D476 VanDerWaalsContact C-N 3.3Å; K474-D476 VanDerWaalsContact CB-OD1 3.24Å; K474-D476 WeakPolarHBondContact CB-OD1 3.46Å; K474-D476 PolarHBondContact O-N 2.9Å; K474-V477 HydrophobicContact CB-CB 4.29Å; K474-V477 HydrophobicContact CB-CG2 4.04Å; K474-V477 CarbonylContact O-C 3.13Å; K474-V477 WeakPolarHBondContact O-CA 3.23Å; K474-V477 WeakPolarHBondContact O-CB 3.45Å; K474-V477 PolarHBondContact O-N 3.44Å; K474-A478 PolarHBondContact O-N 3.21Å
475	P	96.7	Very high	91.6	Very high	89 Å²	89	56.3 Å²	56.3	58%	0.578	28%	0.279	S	S	*	.	H	α-helix	trans	-54.6	-41.1	-174.9	-28.7	35.7	0	0	0	114.5	N479	P475-N479 VanDerWaalsContact O-CB 3.3Å; P475-N479 WeakPolarHBondContact O-CB 3.4Å; P475-N479 PolarHBondContact O-N 3.18Å; P475-N479 PolarHBondContact O-ND2 3.16Å
476	D	93	Very high	89.6	Confident	96 Å²	96	58.8 Å²	58.8	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-65.8	-37.8	176.9	66	-58.5	0	0	0	112.2	K474 R480	K474-D476 VanDerWaalsContact C-N 3.3Å; K474-D476 VanDerWaalsContact CB-OD1 3.24Å; K474-D476 WeakPolarHBondContact CB-OD1 3.46Å; K474-D476 PolarHBondContact O-N 2.9Å; D476-R480 VanDerWaalsContact O-CB 3.29Å; D476-R480 WeakPolarHBondContact O-CB 3.37Å; D476-R480 PolarHBondContact O-N 2.7Å
477	V	95.2	Very high	87.6	Confident	4 Å²	4	63 Å²	63	2%	0.024	31%	0.311	C	S	.	.	H	α-helix	trans	-70	-47.3	177	177.6	0	0	0	0	110.7	L473 K474 R480 L481	L473-V477 HydrophobicContact CB-CB 4.45Å; L473-V477 HydrophobicContact CB-CG1 4.31Å; L473-V477 HydrophobicContact CD1-CG1 4.38Å; L473-V477 HydrophobicContact CD2-CG1 4.19Å; K474-V477 HydrophobicContact CB-CB 4.29Å; K474-V477 HydrophobicContact CB-CG2 4.04Å; K474-V477 CarbonylContact O-C 3.13Å; K474-V477 WeakPolarHBondContact O-CA 3.23Å; K474-V477 WeakPolarHBondContact O-CB 3.45Å; K474-V477 PolarHBondContact O-N 3.44Å; V477-R480 PolarHBondContact O-N 3.02Å; V477-L481 HydrophobicContact CG1-CD1 3.91Å; V477-L481 HydrophobicContact CG1-CG 4.24Å; V477-L481 VanDerWaalsContact O-CG 3.32Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 3.5Å
478	A	95.8	Very high	85.7	Confident	11 Å²	11	58.5 Å²	58.5	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-51.5	176	0	0	0	0	0	110.8	L473 K474 R480 L481 L482	L473-A478 HydrophobicContact CB-CB 4.08Å; K474-A478 PolarHBondContact O-N 3.21Å; A478-R480 VanDerWaalsContact C-N 3.3Å; A478-R480 PolarHBondContact O-N 3.02Å; A478-L481 PolarHBondContact O-N 3.46Å; A478-L482 WeakPolarHBondContact O-CB 3.37Å; A478-L482 VanDerWaalsContact O-CG 3.29Å; A478-L482 WeakPolarHBondContact O-CG 3.34Å; A478-L482 PolarHBondContact O-N 3.41Å
479	N	91.7	Very high	83.8	Confident	97 Å²	97	60.1 Å²	60.1	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-42.6	177.5	-73.8	-23.4	0	0	0	111.8	P475 N483	P475-N479 VanDerWaalsContact O-CB 3.3Å; P475-N479 WeakPolarHBondContact O-CB 3.4Å; P475-N479 PolarHBondContact O-N 3.18Å; P475-N479 PolarHBondContact O-ND2 3.16Å; N479-N483 WeakPolarHBondContact O-CB 3.29Å; N479-N483 VanDerWaalsContact O-CG 3.26Å; N479-N483 PolarHBondContact O-N 3.45Å; N479-N483 VanDerWaalsContact O-N 3.08Å; N479-N483 PolarHBondContact O-ND2 2.93Å
480	R	89.2	Confident	81.7	Confident	116 Å²	116	64.9 Å²	64.9	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-50.7	176.2	-176.7	-179.3	66.8	-126.1	-2.7	111.2	D476 V477 A478 W484	D476-R480 VanDerWaalsContact O-CB 3.29Å; D476-R480 WeakPolarHBondContact O-CB 3.37Å; D476-R480 PolarHBondContact O-N 2.7Å; V477-R480 PolarHBondContact O-N 3.02Å; A478-R480 VanDerWaalsContact C-N 3.3Å; A478-R480 PolarHBondContact O-N 3.02Å; R480-W484 WeakPolarHBondContact O-CB 3.35Å; R480-W484 PolarHBondContact O-N 3.07Å
481	L	90.9	Very high	79.9	Confident	15 Å²	15	71 Å²	71	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-71.2	-39.5	-173.4	-65.3	-175.9	0	0	0	112.7	A453 L454 L466 L473 V477 A478 N485	A453-L481 HydrophobicContact CB-CB 4.33Å; A453-L481 HydrophobicContact CB-CD1 4Å; A453-L481 HydrophobicContact CB-CD2 4.29Å; A453-L481 HydrophobicContact CB-CG 4.43Å; A453-L481 WeakPolarHBondContact O-CD2 3.37Å; L454-L481 HydrophobicContact CD2-CD1 4.08Å; L466-L481 HydrophobicContact CD2-CB 4.43Å; L473-L481 HydrophobicContact CD1-CD1 3.89Å; V477-L481 HydrophobicContact CG1-CD1 3.91Å; V477-L481 HydrophobicContact CG1-CG 4.24Å; V477-L481 VanDerWaalsContact O-CG 3.32Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 3.5Å; A478-L481 PolarHBondContact O-N 3.46Å; L481-N485 PolarHBondContact O-N 2.9Å
482	L	90.2	Very high	78.1	Confident	53 Å²	53	70 Å²	70	28%	0.277	34%	0.341	S	S	.	.	H	α-helix	trans	-68.6	-45.5	177.2	-65.9	173.9	0	0	0	111.5	L466 E467 A478 N485	L466-L482 HydrophobicContact CB-CD2 4.46Å; L466-L482 HydrophobicContact CD2-CD2 4.16Å; L466-L482 HydrophobicContact CG-CD2 3.9Å; E467-L482 HydrophobicContact CB-CD2 4.24Å; A478-L482 WeakPolarHBondContact O-CB 3.37Å; A478-L482 VanDerWaalsContact O-CG 3.29Å; A478-L482 WeakPolarHBondContact O-CG 3.34Å; A478-L482 PolarHBondContact O-N 3.41Å; L482-N485 PolarHBondContact O-N 3.38Å
483	N	80.7	Confident	76.3	Confident	90 Å²	90	73 Å²	73	48%	0.481	35%	0.352	S	S	.	.	H	α-helix	trans	-74.2	-35.3	-179.3	-66.9	-36.7	0	0	0	112.1	N479 N485 S486	N479-N483 WeakPolarHBondContact O-CB 3.29Å; N479-N483 VanDerWaalsContact O-CG 3.26Å; N479-N483 PolarHBondContact O-N 3.45Å; N479-N483 VanDerWaalsContact O-N 3.08Å; N479-N483 PolarHBondContact O-ND2 2.93Å; N483-N485 PolarHBondContact O-N 3.13Å; N483-S486 WeakPolarHBondContact O-CB 3.32Å; N483-S486 PolarHBondContact O-N 2.86Å; N483-S486 PolarHBondContact O-OG 2.97Å
484	W	66.6	Low	74.5	Confident	112 Å²	112	75.2 Å²	75.2	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-37	176.6	-174.6	-99.9	0	0	0	111.9	N456 R480 S486 K492	N456-W484 PolarHBondContact OD1-NE1 3.41Å; N456-W484 VanDerWaalsContact OD1-NE1 3.13Å; R480-W484 WeakPolarHBondContact O-CB 3.35Å; R480-W484 PolarHBondContact O-N 3.07Å; W484-S486 VanDerWaalsContact C-N 3.34Å; W484-S486 PolarHBondContact O-N 3.11Å; W484-K492 WeakPolarHBondContact O-CE 3.4Å; W484-K492 PolarHBondContact O-NZ 3.15Å
485	N	56.4	Low	72.8	Confident	56 Å²	56	75.4 Å²	75.4	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-73	-23.1	176.3	-80.3	-13.2	0	0	0	114	Q458 L481 L482 N483 W487	Q458-N485 PolarHBondContact NE2-OD1 2.71Å; L481-N485 PolarHBondContact O-N 2.9Å; L482-N485 PolarHBondContact O-N 3.38Å; N483-N485 PolarHBondContact O-N 3.13Å; N485-W487 VanDerWaalsContact C-N 3.32Å; N485-W487 PolarHBondContact O-N 3.2Å
486	S	56	Low	71.2	Confident	85 Å²	85	75 Å²	75	59%	0.594	37%	0.366	S	S	*	.	H	α-helix	trans	-73.5	-19.1	177.3	73.4	0	0	0	0	114.5	N483 W484 S488	N483-S486 WeakPolarHBondContact O-CB 3.32Å; N483-S486 PolarHBondContact O-N 2.86Å; N483-S486 PolarHBondContact O-OG 2.97Å; W484-S486 VanDerWaalsContact C-N 3.34Å; W484-S486 PolarHBondContact O-N 3.11Å; S486-S488 PolarHBondContact O-N 2.85Å
487	W	56.1	Low	69.9	Low	108 Å²	108	71.9 Å²	71.9	41%	0.409	35%	0.35	S	S	.	.	S	Bend	trans	-72.6	125.7	-179.9	-74.6	44.3	0	0	0	109.9	N485 W491 K492 I495	N485-W487 VanDerWaalsContact C-N 3.32Å; N485-W487 PolarHBondContact O-N 3.2Å; W487-W491 HydrophobicContact CD2-CB 4.49Å; W487-W491 HydrophobicContact CE3-CB 3.6Å; W487-W491 HydrophobicContact CE3-CG 4.49Å; W487-W491 HydrophobicContact CZ3-CB 4.09Å; W487-K492 HydrophobicContact CB-CG 3.96Å; W487-K492 WeakPolarHBondContact O-CE 3.37Å; W487-I495 HydrophobicContact CE3-CD1 4.11Å; W487-I495 HydrophobicContact CH2-CD1 3.57Å; W487-I495 HydrophobicContact CZ3-CD1 3.17Å; W487-I495 HydrophobicContact CZ3-CG1 4.07Å
488	S	55.8	Low	68.2	Low	55 Å²	55	76.2 Å²	76.2	39%	0.385	37%	0.372	S	S	.	.			trans	-53.4	146.8	172.3	75.3	0	0	0	0	110	S486 L490 W491 K492	S486-S488 PolarHBondContact O-N 2.85Å; S488-L490 PolarHBondContact O-N 2.84Å; S488-L490 VanDerWaalsContact O-N 3.11Å; S488-W491 PolarHBondContact O-N 2.91Å; S488-W491 PolarHBondContact OG-N 3.29Å; S488-K492 PolarHBondContact O-N 2.86Å; S488-K492 VanDerWaalsContact O-N 3.15Å
489	Y	57.5	Low	66.6	Low	136 Å²	136	85 Å²	85	53%	0.533	40%	0.403	S	S	.	.	H	α-helix	trans	-49	-40.4	176.4	179	-95.4	0	0	0	112	W491 K492 W493	Y489-W491 VanDerWaalsContact C-N 3.34Å; Y489-W491 PolarHBondContact O-N 2.8Å; Y489-K492 PolarHBondContact O-N 3.39Å; Y489-W493 HydrophobicContact CE1-CB 4.4Å; Y489-W493 VanDerWaalsContact O-CB 3.28Å; Y489-W493 WeakPolarHBondContact O-CB 3.45Å; Y489-W493 PolarHBondContact O-N 3.12Å
490	L	54.3	Low	65.2	Low	101 Å²	101	84.7 Å²	84.7	53%	0.529	40%	0.397	S	S	.	.	H	α-helix	trans	-54.1	-45.6	175.6	-176.5	68.8	0	0	0	112.6	S488 W493 I494	S488-L490 PolarHBondContact O-N 2.84Å; S488-L490 VanDerWaalsContact O-N 3.11Å; L490-W493 HydrophobicContact CD1-CE3 4.25Å; L490-W493 PolarHBondContact O-N 3.45Å; L490-I494 HydrophobicContact CD1-CD1 4.18Å; L490-I494 HydrophobicContact CD2-CD1 4.45Å; L490-I494 HydrophobicContact CG-CD1 3.81Å; L490-I494 WeakPolarHBondContact O-CB 3.39Å; L490-I494 WeakPolarHBondContact O-CD1 3.3Å; L490-I494 WeakPolarHBondContact O-CG1 3.2Å; L490-I494 PolarHBondContact O-N 3.02Å
491	W	59.2	Low	64.3	Low	146 Å²	146	82.4 Å²	82.4	55%	0.553	39%	0.393	S	S	*	.	H	α-helix	trans	-73	-36	179.6	-75	116.7	0	0	0	112.9	W487 S488 Y489 W493 I494 I495	W487-W491 HydrophobicContact CD2-CB 4.49Å; W487-W491 HydrophobicContact CE3-CB 3.6Å; W487-W491 HydrophobicContact CE3-CG 4.49Å; W487-W491 HydrophobicContact CZ3-CB 4.09Å; S488-W491 PolarHBondContact O-N 2.91Å; S488-W491 PolarHBondContact OG-N 3.29Å; Y489-W491 VanDerWaalsContact C-N 3.34Å; Y489-W491 PolarHBondContact O-N 2.8Å; W491-W493 VanDerWaalsContact C-N 3.34Å; W491-I494 HydrophobicContact CE3-CD1 4.21Å; W491-I494 HydrophobicContact CE3-CG2 4.37Å; W491-I494 HydrophobicContact CZ3-CD1 4.49Å; W491-I495 PolarHBondContact O-N 2.8Å
492	K	59.7	Low	63.3	Low	39 Å²	39	87 Å²	87	17%	0.17	42%	0.417	C	S	.	.	H	α-helix	trans	-61.7	-45	172.4	-68.6	173.8	176.2	167.6	0	110.7	W484 W487 S488 Y489 S496	W484-K492 WeakPolarHBondContact O-CE 3.4Å; W484-K492 PolarHBondContact O-NZ 3.15Å; W487-K492 HydrophobicContact CB-CG 3.96Å; W487-K492 WeakPolarHBondContact O-CE 3.37Å; S488-K492 PolarHBondContact O-N 2.86Å; S488-K492 VanDerWaalsContact O-N 3.15Å; Y489-K492 PolarHBondContact O-N 3.39Å; K492-S496 PolarHBondContact O-N 3.14Å; K492-S496 VanDerWaalsContact O-N 3.13Å
493	W	60.8	Low	62.5	Low	62 Å²	62	90.4 Å²	90.4	24%	0.235	43%	0.43	C	S	.	.	H	α-helix	trans	-62.4	-51.2	175.8	-179.9	71.3	0	0	0	111.5	L57 Y489 L490 W491 I495 S496 D497	L57-W493 HydrophobicContact CD2-CH2 3.61Å; L57-W493 HydrophobicContact CD2-CZ2 4.03Å; Y489-W493 HydrophobicContact CE1-CB 4.4Å; Y489-W493 VanDerWaalsContact O-CB 3.28Å; Y489-W493 WeakPolarHBondContact O-CB 3.45Å; Y489-W493 PolarHBondContact O-N 3.12Å; L490-W493 HydrophobicContact CD1-CE3 4.25Å; L490-W493 PolarHBondContact O-N 3.45Å; W491-W493 VanDerWaalsContact C-N 3.34Å; W493-I495 VanDerWaalsContact C-N 3.32Å; W493-I495 PolarHBondContact O-N 2.67Å; W493-S496 PolarHBondContact O-N 2.84Å; W493-D497 PolarHBondContact NE1-OD2 3.13Å; W493-D497 PolarHBondContact O-N 3.44Å
494	I	60.5	Low	62	Low	49 Å²	49	87.1 Å²	87.1	25%	0.251	41%	0.412	S	S	.	.	H	α-helix	trans	-54.4	-44	177.3	-75.1	166.5	0	0	0	111.8	L490 W491 L498	L490-I494 HydrophobicContact CD1-CD1 4.18Å; L490-I494 HydrophobicContact CD2-CD1 4.45Å; L490-I494 HydrophobicContact CG-CD1 3.81Å; L490-I494 WeakPolarHBondContact O-CB 3.39Å; L490-I494 WeakPolarHBondContact O-CD1 3.3Å; L490-I494 WeakPolarHBondContact O-CG1 3.2Å; L490-I494 PolarHBondContact O-N 3.02Å; W491-I494 HydrophobicContact CE3-CD1 4.21Å; W491-I494 HydrophobicContact CE3-CG2 4.37Å; W491-I494 HydrophobicContact CZ3-CD1 4.49Å; I494-L498 HydrophobicContact CG2-CD1 3.45Å; I494-L498 VanDerWaalsContact CG2-CD1 3.45Å; I494-L498 HydrophobicContact CG2-CG 4.17Å; I494-L498 WeakPolarHBondContact O-CA 3.44Å; I494-L498 WeakPolarHBondContact O-CB 3.36Å; I494-L498 WeakPolarHBondContact O-CD1 3.47Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 3.36Å
495	I	63.1	Low	62.4	Low	64 Å²	64	84.2 Å²	84.2	33%	0.328	41%	0.409	S	S	.	.	H	α-helix	trans	-72.3	-42.8	-178.9	-73.7	-168.1	0	0	0	112.9	W487 W491 W493 D497	W487-I495 HydrophobicContact CE3-CD1 4.11Å; W487-I495 HydrophobicContact CH2-CD1 3.57Å; W487-I495 HydrophobicContact CZ3-CD1 3.17Å; W487-I495 HydrophobicContact CZ3-CG1 4.07Å; W491-I495 PolarHBondContact O-N 2.8Å; W493-I495 VanDerWaalsContact C-N 3.32Å; W493-I495 PolarHBondContact O-N 2.67Å; I495-D497 PolarHBondContact O-N 3.47Å
496	S	63.1	Low	63.5	Low	80 Å²	80	86.1 Å²	86.1	56%	0.559	42%	0.418	S	S	*	.	H	α-helix	trans	-57.3	-45.2	176.8	-179.4	0	0	0	0	110	K492 W493	K492-S496 PolarHBondContact O-N 3.14Å; K492-S496 VanDerWaalsContact O-N 3.13Å; W493-S496 PolarHBondContact O-N 2.84Å
497	D	64.8	Low	64.6	Low	30 Å²	30	86 Å²	86	16%	0.16	41%	0.41	C	S	.	.	H	α-helix	trans	-86	-23.9	-175.3	-70.6	-10.8	0	0	0	113.2	W493 I495 R499 F500 I501	W493-D497 PolarHBondContact NE1-OD2 3.13Å; W493-D497 PolarHBondContact O-N 3.44Å; I495-D497 PolarHBondContact O-N 3.47Å; D497-R499 PolarHBondContact O-N 3.11Å; D497-F500 CarbonylContact O-C 3.57Å; D497-F500 WeakPolarHBondContact O-CA 3.46Å; D497-F500 WeakPolarHBondContact O-CB 3.32Å; D497-F500 PolarHBondContact O-N 2.99Å; D497-I501 HydrophobicContact CB-CD1 4.42Å; D497-I501 WeakPolarHBondContact O-CB 3.44Å; D497-I501 VanDerWaalsContact O-CG1 3.27Å; D497-I501 WeakPolarHBondContact O-CG1 3.43Å; D497-I501 PolarHBondContact O-N 3.48Å
498	L	59.8	Low	65.5	Low	95 Å²	95	82.9 Å²	82.9	50%	0.497	40%	0.404	S	S	.	.	H	α-helix	trans	-56.9	-36.7	172.8	-97	161	0	0	0	112.2	I494 F500 L502	I494-L498 HydrophobicContact CG2-CD1 3.45Å; I494-L498 VanDerWaalsContact CG2-CD1 3.45Å; I494-L498 HydrophobicContact CG2-CG 4.17Å; I494-L498 WeakPolarHBondContact O-CA 3.44Å; I494-L498 WeakPolarHBondContact O-CB 3.36Å; I494-L498 WeakPolarHBondContact O-CD1 3.47Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 3.36Å; L498-F500 VanDerWaalsContact C-N 3.33Å; L498-L502 WeakPolarHBondContact O-CB 3.49Å; L498-L502 PolarHBondContact O-N 3.34Å
499	R	61.4	Low	66.7	Low	195 Å²	195	84.3 Å²	84.3	74%	0.736	41%	0.41	S	S	*	.	H	α-helix	trans	-66.4	-38.8	174	-64.5	-176	-170.6	-171.2	3	111.4	D497 F503	D497-R499 PolarHBondContact O-N 3.11Å; R499-F503 VanDerWaalsContact O-CB 3.26Å; R499-F503 WeakPolarHBondContact O-CB 3.48Å; R499-F503 PolarHBondContact O-N 3.44Å
500	F	63.8	Low	67.8	Low	91 Å²	91	81 Å²	81	40%	0.399	41%	0.407	S	S	.	.	H	α-helix	trans	-70.6	-48.4	177.6	-170.1	-99.9	0	0	0	111.3	I56 D497 L498 L502 F503 I504	I56-F500 HydrophobicContact CD1-CE1 3.87Å; D497-F500 CarbonylContact O-C 3.57Å; D497-F500 WeakPolarHBondContact O-CA 3.46Å; D497-F500 WeakPolarHBondContact O-CB 3.32Å; D497-F500 PolarHBondContact O-N 2.99Å; L498-F500 VanDerWaalsContact C-N 3.33Å; F500-L502 VanDerWaalsContact C-N 3.31Å; F500-L502 PolarHBondContact O-N 3.43Å; F500-F503 PolarHBondContact O-N 2.81Å; F500-I504 HydrophobicContact CD1-CG1 3.88Å; F500-I504 HydrophobicContact CE1-CD1 4.17Å; F500-I504 HydrophobicContact CE1-CG1 3.55Å; F500-I504 HydrophobicContact CE2-CG1 4.39Å; F500-I504 HydrophobicContact CG-CG1 4.44Å; F500-I504 HydrophobicContact CZ-CD1 3.99Å; F500-I504 HydrophobicContact CZ-CG1 3.83Å; F500-I504 WeakPolarHBondContact O-CB 3.49Å; F500-I504 VanDerWaalsContact O-CG1 3.28Å; F500-I504 WeakPolarHBondContact O-CG1 3.26Å; F500-I504 PolarHBondContact O-N 2.89Å
501	I	68.9	Low	69.1	Low	69 Å²	69	80.6 Å²	80.6	35%	0.354	40%	0.401	S	S	.	.	H	α-helix	trans	-56.8	-43.8	173.8	-65.9	166.6	0	0	0	110.2	D497 S505	D497-I501 HydrophobicContact CB-CD1 4.42Å; D497-I501 WeakPolarHBondContact O-CB 3.44Å; D497-I501 VanDerWaalsContact O-CG1 3.27Å; D497-I501 WeakPolarHBondContact O-CG1 3.43Å; D497-I501 PolarHBondContact O-N 3.48Å; I501-S505 WeakPolarHBondContact O-CB 3.42Å; I501-S505 PolarHBondContact O-N 3.45Å; I501-S505 PolarHBondContact O-OG 3.24Å
502	L	71.6	Confident	70.1	Confident	111 Å²	111	76.7 Å²	76.7	58%	0.581	39%	0.393	S	S	*	.	H	α-helix	trans	-64.6	-48.1	176.3	-175.7	70.7	0	0	0	111.5	L498 F500 I504 S505 I506	L498-L502 WeakPolarHBondContact O-CB 3.49Å; L498-L502 PolarHBondContact O-N 3.34Å; F500-L502 VanDerWaalsContact C-N 3.31Å; F500-L502 PolarHBondContact O-N 3.43Å; L502-I504 VanDerWaalsContact C-N 3.32Å; L502-I504 PolarHBondContact O-N 2.87Å; L502-S505 PolarHBondContact O-N 3.33Å; L502-I506 HydrophobicContact CG-CD1 4.14Å; L502-I506 VanDerWaalsContact O-CG1 3.27Å; L502-I506 WeakPolarHBondContact O-CG1 3.42Å; L502-I506 PolarHBondContact O-N 3.23Å
503	F	72.3	Confident	71.2	Confident	124 Å²	124	79.6 Å²	79.6	54%	0.544	41%	0.41	S	S	.	.	H	α-helix	trans	-58.1	-46.1	177.3	176.9	-103.4	0	0	0	111.7	R499 F500 I506 I507	R499-F503 VanDerWaalsContact O-CB 3.26Å; R499-F503 WeakPolarHBondContact O-CB 3.48Å; R499-F503 PolarHBondContact O-N 3.44Å; F500-F503 PolarHBondContact O-N 2.81Å; F503-I506 PolarHBondContact O-N 3.22Å; F503-I507 HydrophobicContact CD1-CD1 3.96Å; F503-I507 HydrophobicContact CE1-CD1 3.47Å; F503-I507 VanDerWaalsContact CE1-CD1 3.47Å; F503-I507 HydrophobicContact CE2-CD1 4.5Å; F503-I507 HydrophobicContact CZ-CD1 3.78Å; F503-I507 WeakPolarHBondContact O-CG1 3.43Å; F503-I507 PolarHBondContact O-N 3.27Å; F503-I507 VanDerWaalsContact O-N 3.1Å
504	I	70.5	Confident	72.2	Confident	21 Å²	21	81.4 Å²	81.4	11%	0.108	42%	0.423	C	S	.	.	H	α-helix	trans	-61.9	-44.1	174.3	-80.3	-45.1	0	0	0	111.8	F49 F500 L502 I506 I507 C508	F49-I504 HydrophobicContact CE1-CG2 3.17Å; F49-I504 HydrophobicContact CE2-CD1 4.37Å; F49-I504 HydrophobicContact CE2-CG2 4.4Å; F49-I504 HydrophobicContact CZ-CB 4.1Å; F49-I504 HydrophobicContact CZ-CD1 3.89Å; F49-I504 HydrophobicContact CZ-CG1 4.1Å; F49-I504 HydrophobicContact CZ-CG2 3.1Å; F500-I504 HydrophobicContact CD1-CG1 3.88Å; F500-I504 HydrophobicContact CE1-CD1 4.17Å; F500-I504 HydrophobicContact CE1-CG1 3.55Å; F500-I504 HydrophobicContact CE2-CG1 4.39Å; F500-I504 HydrophobicContact CG-CG1 4.44Å; F500-I504 HydrophobicContact CZ-CD1 3.99Å; F500-I504 HydrophobicContact CZ-CG1 3.83Å; F500-I504 WeakPolarHBondContact O-CB 3.49Å; F500-I504 VanDerWaalsContact O-CG1 3.28Å; F500-I504 WeakPolarHBondContact O-CG1 3.26Å; F500-I504 PolarHBondContact O-N 2.89Å; L502-I504 VanDerWaalsContact C-N 3.32Å; L502-I504 PolarHBondContact O-N 2.87Å; I504-I506 VanDerWaalsContact C-N 3.3Å; I504-I506 PolarHBondContact O-N 3.15Å; I504-I507 PolarHBondContact O-N 3.18Å; I504-C508 PolarHBondContact O-N 2.93Å; I504-C508 PolarHBondContact O-SG 3.17Å
505	S	75.8	Confident	73.2	Confident	52 Å²	52	80.5 Å²	80.5	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-63.8	-38.8	179	-62.3	0	0	0	0	110.7	I501 L502 C508 V509	I501-S505 WeakPolarHBondContact O-CB 3.42Å; I501-S505 PolarHBondContact O-N 3.45Å; I501-S505 PolarHBondContact O-OG 3.24Å; L502-S505 PolarHBondContact O-N 3.33Å; S505-C508 PolarHBondContact O-N 3.41Å; S505-V509 WeakPolarHBondContact O-CB 3.26Å; S505-V509 VanDerWaalsContact O-CG2 3.27Å; S505-V509 WeakPolarHBondContact O-CG2 3.15Å; S505-V509 PolarHBondContact O-N 3.49Å
506	I	79.5	Confident	74	Confident	95 Å²	95	80.9 Å²	80.9	49%	0.487	43%	0.427	S	S	.	.	H	α-helix	trans	-61.6	-43.9	174.1	-69.1	163.9	0	0	0	110.9	L502 F503 I504 C508 S510	L502-I506 HydrophobicContact CG-CD1 4.14Å; L502-I506 VanDerWaalsContact O-CG1 3.27Å; L502-I506 WeakPolarHBondContact O-CG1 3.42Å; L502-I506 PolarHBondContact O-N 3.23Å; F503-I506 PolarHBondContact O-N 3.22Å; I504-I506 VanDerWaalsContact C-N 3.3Å; I504-I506 PolarHBondContact O-N 3.15Å; I506-C508 VanDerWaalsContact C-N 3.35Å; I506-S510 WeakPolarHBondContact O-CB 3.39Å; I506-S510 PolarHBondContact O-N 3.01Å; I506-S510 PolarHBondContact O-OG 3.26Å
507	I	78.5	Confident	74.8	Confident	84 Å²	84	79.9 Å²	79.9	43%	0.431	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-45	175.8	-68.7	170.2	0	0	0	110.4	F503 I504 S510 F511	F503-I507 HydrophobicContact CD1-CD1 3.96Å; F503-I507 HydrophobicContact CE1-CD1 3.47Å; F503-I507 VanDerWaalsContact CE1-CD1 3.47Å; F503-I507 HydrophobicContact CE2-CD1 4.5Å; F503-I507 HydrophobicContact CZ-CD1 3.78Å; F503-I507 WeakPolarHBondContact O-CG1 3.43Å; F503-I507 PolarHBondContact O-N 3.27Å; F503-I507 VanDerWaalsContact O-N 3.1Å; I504-I507 PolarHBondContact O-N 3.18Å; I507-S510 PolarHBondContact O-N 3Å; I507-F511 WeakPolarHBondContact O-CB 3.2Å; I507-F511 PolarHBondContact O-N 3.06Å
508	C	74.9	Confident	75.5	Confident	41 Å²	41	82.1 Å²	82.1	28%	0.277	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-47	-179.9	-67.3	0	0	0	0	112	F49 I504 S505 I506 S510 F511 T512	F49-C508 VanDerWaalsContact CE1-SG 3.52Å; I504-C508 PolarHBondContact O-N 2.93Å; I504-C508 PolarHBondContact O-SG 3.17Å; S505-C508 PolarHBondContact O-N 3.41Å; I506-C508 VanDerWaalsContact C-N 3.35Å; C508-S510 VanDerWaalsContact C-N 3.32Å; C508-S510 PolarHBondContact O-N 3.31Å; C508-F511 PolarHBondContact O-N 3Å; C508-T512 WeakPolarHBondContact O-CB 3.36Å; C508-T512 PolarHBondContact O-N 3.06Å; C508-T512 PolarHBondContact O-OG1 2.84Å
509	V	81.4	Confident	76.4	Confident	85 Å²	85	80.2 Å²	80.2	52%	0.515	42%	0.423	S	S	.	.	H	α-helix	trans	-60.5	-44.2	176.1	170.6	0	0	0	0	110.2	S505 F511 T512 I513	S505-V509 WeakPolarHBondContact O-CB 3.26Å; S505-V509 VanDerWaalsContact O-CG2 3.27Å; S505-V509 WeakPolarHBondContact O-CG2 3.15Å; S505-V509 PolarHBondContact O-N 3.49Å; V509-F511 PolarHBondContact O-N 3.27Å; V509-T512 PolarHBondContact O-N 3.16Å; V509-I513 HydrophobicContact CG1-CD1 3.68Å; V509-I513 HydrophobicContact CG1-CG1 4.37Å; V509-I513 WeakPolarHBondContact O-CB 3.38Å; V509-I513 VanDerWaalsContact O-CG1 3.23Å; V509-I513 WeakPolarHBondContact O-CG1 3.32Å; V509-I513 PolarHBondContact O-N 3.1Å
510	S	79.9	Confident	77.2	Confident	67 Å²	67	74.8 Å²	74.8	47%	0.469	41%	0.411	S	S	.	.	H	α-helix	trans	-62.1	-43.9	177.9	-56.8	0	0	0	0	112.3	I506 I507 C508 I513 L514	I506-S510 WeakPolarHBondContact O-CB 3.39Å; I506-S510 PolarHBondContact O-N 3.01Å; I506-S510 PolarHBondContact O-OG 3.26Å; I507-S510 PolarHBondContact O-N 3Å; C508-S510 VanDerWaalsContact C-N 3.32Å; C508-S510 PolarHBondContact O-N 3.31Å; S510-I513 PolarHBondContact O-N 3.11Å; S510-L514 WeakPolarHBondContact O-CB 3.37Å; S510-L514 PolarHBondContact O-N 3.44Å
511	F	82	Confident	77.7	Confident	92 Å²	92	74.6 Å²	74.6	40%	0.404	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-39.4	178.3	-165.8	-105.1	0	0	0	111.8	V45 I507 C508 V509 L514 L515	V45-F511 HydrophobicContact CG1-CE1 4.24Å; I507-F511 WeakPolarHBondContact O-CB 3.2Å; I507-F511 PolarHBondContact O-N 3.06Å; C508-F511 PolarHBondContact O-N 3Å; V509-F511 PolarHBondContact O-N 3.27Å; F511-L514 PolarHBondContact O-N 2.87Å; F511-L515 HydrophobicContact CD1-CD1 3.55Å; F511-L515 HydrophobicContact CD1-CG 4.47Å; F511-L515 HydrophobicContact CE1-CD1 3.35Å; F511-L515 HydrophobicContact CE1-CG 4.24Å; F511-L515 HydrophobicContact CZ-CD1 4.16Å; F511-L515 PolarHBondContact O-N 2.75Å
512	T	80.8	Confident	77.9	Confident	64 Å²	64	73.7 Å²	73.7	39%	0.393	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-43.4	176.5	-51	0	0	0	0	111.3	C508 V509 L514 L515 C516	C508-T512 WeakPolarHBondContact O-CB 3.36Å; C508-T512 PolarHBondContact O-N 3.06Å; C508-T512 PolarHBondContact O-OG1 2.84Å; V509-T512 PolarHBondContact O-N 3.16Å; T512-L514 VanDerWaalsContact C-N 3.34Å; T512-L514 PolarHBondContact O-N 3.36Å; T512-L515 PolarHBondContact O-N 3.5Å; T512-C516 WeakPolarHBondContact O-CB 3.49Å; T512-C516 PolarHBondContact O-N 2.89Å; T512-C516 PolarHBondContact O-SG 2.47Å
513	I	81.7	Confident	77.7	Confident	100 Å²	100	73.8 Å²	73.8	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-43.5	174.5	-70.2	166.7	0	0	0	110.7	V509 S510 C516 S517	V509-I513 HydrophobicContact CG1-CD1 3.68Å; V509-I513 HydrophobicContact CG1-CG1 4.37Å; V509-I513 WeakPolarHBondContact O-CB 3.38Å; V509-I513 VanDerWaalsContact O-CG1 3.23Å; V509-I513 WeakPolarHBondContact O-CG1 3.32Å; V509-I513 PolarHBondContact O-N 3.1Å; S510-I513 PolarHBondContact O-N 3.11Å; I513-C516 PolarHBondContact O-N 3.29Å; I513-S517 WeakPolarHBondContact O-CB 3.12Å; I513-S517 PolarHBondContact O-N 3.01Å; I513-S517 PolarHBondContact O-OG 2.84Å
514	L	82.8	Confident	77.5	Confident	100 Å²	100	76.4 Å²	76.4	52%	0.524	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-47.8	177.6	179.9	66.8	0	0	0	111.5	S510 F511 T512 S517 I518	S510-L514 WeakPolarHBondContact O-CB 3.37Å; S510-L514 PolarHBondContact O-N 3.44Å; F511-L514 PolarHBondContact O-N 2.87Å; T512-L514 VanDerWaalsContact C-N 3.34Å; T512-L514 PolarHBondContact O-N 3.36Å; L514-S517 WeakPolarHBondContact O-CB 3.3Å; L514-S517 PolarHBondContact O-N 3.11Å; L514-I518 HydrophobicContact CG-CD1 4.23Å; L514-I518 WeakPolarHBondContact O-CG1 3.42Å; L514-I518 PolarHBondContact O-N 2.77Å
515	L	80.2	Confident	77.3	Confident	31 Å²	31	81.8 Å²	81.8	16%	0.162	44%	0.438	C	S	.	.	H	α-helix	trans	-60.7	-46.7	176.9	-86.1	161.8	0	0	0	112.1	S42 F511 T512 S517 I518 V519	S42-L515 WeakPolarHBondContact OG-CD1 3.43Å; F511-L515 HydrophobicContact CD1-CD1 3.55Å; F511-L515 HydrophobicContact CD1-CG 4.47Å; F511-L515 HydrophobicContact CE1-CD1 3.35Å; F511-L515 HydrophobicContact CE1-CG 4.24Å; F511-L515 HydrophobicContact CZ-CD1 4.16Å; F511-L515 PolarHBondContact O-N 2.75Å; T512-L515 PolarHBondContact O-N 3.5Å; L515-S517 VanDerWaalsContact C-N 3.28Å; L515-S517 PolarHBondContact O-N 2.88Å; L515-I518 PolarHBondContact O-N 2.93Å; L515-V519 WeakPolarHBondContact O-CG2 3.38Å; L515-V519 PolarHBondContact O-N 3.14Å
516	C	80.3	Confident	76.3	Confident	72 Å²	72	82.8 Å²	82.8	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-41.9	175.8	-68.5	0	0	0	0	111.1	T512 I513 I518 V519 V520	T512-C516 WeakPolarHBondContact O-CB 3.49Å; T512-C516 PolarHBondContact O-N 2.89Å; T512-C516 PolarHBondContact O-SG 2.47Å; I513-C516 PolarHBondContact O-N 3.29Å; C516-I518 PolarHBondContact O-N 3.33Å; C516-V519 PolarHBondContact O-N 2.91Å; C516-V520 WeakPolarHBondContact O-CG2 3.3Å; C516-V520 PolarHBondContact O-N 2.75Å
517	S	79.4	Confident	75.3	Confident	58 Å²	58	82.8 Å²	82.8	41%	0.406	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-41.8	177.7	-58.3	0	0	0	0	112.1	I513 L514 L515 V520 V521	I513-S517 WeakPolarHBondContact O-CB 3.12Å; I513-S517 PolarHBondContact O-N 3.01Å; I513-S517 PolarHBondContact O-OG 2.84Å; L514-S517 WeakPolarHBondContact O-CB 3.3Å; L514-S517 PolarHBondContact O-N 3.11Å; L515-S517 VanDerWaalsContact C-N 3.28Å; L515-S517 PolarHBondContact O-N 2.88Å; S517-V520 PolarHBondContact O-N 3.28Å; S517-V521 VanDerWaalsContact O-CG2 3.3Å; S517-V521 WeakPolarHBondContact O-CG2 3.28Å; S517-V521 PolarHBondContact O-N 3.42Å
518	I	80.3	Confident	74.3	Confident	77 Å²	77	85.1 Å²	85.1	40%	0.395	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175.4	-68.1	165.1	0	0	0	110.4	L514 L515 C516 V521 M522	L514-I518 HydrophobicContact CG-CD1 4.23Å; L514-I518 WeakPolarHBondContact O-CG1 3.42Å; L514-I518 PolarHBondContact O-N 2.77Å; L515-I518 PolarHBondContact O-N 2.93Å; C516-I518 PolarHBondContact O-N 3.33Å; I518-V521 PolarHBondContact O-N 2.61Å; I518-M522 HydrophobicContact CG2-SD 4.11Å; I518-M522 VanDerWaalsContact O-CG 3.31Å; I518-M522 WeakPolarHBondContact O-CG 3.09Å; I518-M522 PolarHBondContact O-N 3.45Å
519	V	77.7	Confident	73.3	Confident	56 Å²	56	87.4 Å²	87.4	34%	0.339	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-44.9	178.1	174.2	0	0	0	0	111.3	L515 C516 V521 M522 H523	L515-V519 WeakPolarHBondContact O-CG2 3.38Å; L515-V519 PolarHBondContact O-N 3.14Å; C516-V519 PolarHBondContact O-N 2.91Å; V519-V521 PolarHBondContact O-N 2.79Å; V519-M522 PolarHBondContact O-N 3.19Å; V519-H523 PolarHBondContact O-N 3.45Å
520	V	78.2	Confident	71.8	Confident	81 Å²	81	88.3 Å²	88.3	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-41.5	177	174.5	0	0	0	0	111.7	C516 S517 M522 H523 R524	C516-V520 WeakPolarHBondContact O-CG2 3.3Å; C516-V520 PolarHBondContact O-N 2.75Å; S517-V520 PolarHBondContact O-N 3.28Å; V520-M522 VanDerWaalsContact C-N 3.34Å; V520-H523 PolarHBondContact O-N 3.39Å; V520-R524 PolarHBondContact O-N 3.37Å
521	V	75.2	Confident	70.3	Confident	87 Å²	87	93 Å²	93	53%	0.527	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-41.3	176.1	169.3	0	0	0	0	111.2	S517 I518 V519 H523 K525	S517-V521 VanDerWaalsContact O-CG2 3.3Å; S517-V521 WeakPolarHBondContact O-CG2 3.28Å; S517-V521 PolarHBondContact O-N 3.42Å; I518-V521 PolarHBondContact O-N 2.61Å; V519-V521 PolarHBondContact O-N 2.79Å; V521-H523 VanDerWaalsContact C-N 3.33Å; V521-K525 PolarHBondContact O-N 3.14Å
522	M	72.3	Confident	68.8	Low	49 Å²	49	95 Å²	95	24%	0.241	50%	0.495	C	S	.	.	H	α-helix	trans	-62.4	-41.3	175.7	-72.9	179.9	68.7	0	0	111.6	C34 T35 I518 V519 V520 K525 E526	C34-M522 HydrophobicContact CB-CE 4.15Å; T35-M522 HydrophobicContact CG2-CE 3.92Å; T35-M522 HydrophobicContact CG2-SD 4.41Å; I518-M522 HydrophobicContact CG2-SD 4.11Å; I518-M522 VanDerWaalsContact O-CG 3.31Å; I518-M522 WeakPolarHBondContact O-CG 3.09Å; I518-M522 PolarHBondContact O-N 3.45Å; V519-M522 PolarHBondContact O-N 3.19Å; V520-M522 VanDerWaalsContact C-N 3.34Å; M522-K525 PolarHBondContact O-N 2.89Å; M522-E526 PolarHBondContact O-N 3.24Å
523	H	69	Low	67	Low	113 Å²	113	101.2 Å²	101.2	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-73.3	-37.6	179.4	-164.3	47.2	0	0	0	113	V519 V520 V521 K525 E526 T527	V519-H523 PolarHBondContact O-N 3.45Å; V520-H523 PolarHBondContact O-N 3.39Å; V521-H523 VanDerWaalsContact C-N 3.33Å; H523-K525 VanDerWaalsContact C-N 3.29Å; H523-K525 PolarHBondContact O-N 3.02Å; H523-E526 IonicContact CE1-OE2 3.17Å; H523-E526 IonicContact ND1-OE2 3.47Å; H523-E526 PolarHBondContact ND1-OE2 3.21Å; H523-E526 WeakPolarHBondContact O-CA 3.37Å; H523-E526 WeakPolarHBondContact O-CB 3.38Å; H523-E526 PolarHBondContact O-N 3.33Å; H523-T527 PolarHBondContact O-N 2.86Å
524	R	68.1	Low	65.3	Low	180 Å²	180	101.8 Å²	101.8	68%	0.679	52%	0.515	S	S	*	.	H	α-helix	trans	-62.1	-33.5	172.7	-86.4	-171.9	175	-176.4	-0.4	113.3	V520 E526 T527 N528	V520-R524 PolarHBondContact O-N 3.37Å; R524-E526 PolarHBondContact O-N 3.12Å; R524-T527 PolarHBondContact O-N 2.91Å; R524-T527 PolarHBondContact O-OG1 3.14Å; R524-T527 VanDerWaalsContact O-OG1 3.06Å; R524-N528 PolarHBondContact O-N 2.96Å
525	K	64.5	Low	63.4	Low	134 Å²	134	102.4 Å²	102.4	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-27	172.8	-80.5	-173.8	175.1	-176.8	0	112.3	V521 M522 H523 E529	V521-K525 PolarHBondContact O-N 3.14Å; M522-K525 PolarHBondContact O-N 2.89Å; H523-K525 VanDerWaalsContact C-N 3.29Å; H523-K525 PolarHBondContact O-N 3.02Å; K525-E529 PolarHBondContact O-N 3.42Å
526	E	55.9	Low	61.8	Low	72 Å²	72	105 Å²	105	34%	0.336	54%	0.538	S	S	.	.	H	α-helix	trans	-71.4	-40.9	176.2	-160.8	173.5	-166.6	0	0	112	Y28 M522 H523 R524	Y28-E526 WeakPolarHBondContact CE2-OE1 3.36Å; M522-E526 PolarHBondContact O-N 3.24Å; H523-E526 IonicContact CE1-OE2 3.17Å; H523-E526 IonicContact ND1-OE2 3.47Å; H523-E526 PolarHBondContact ND1-OE2 3.21Å; H523-E526 WeakPolarHBondContact O-CA 3.37Å; H523-E526 WeakPolarHBondContact O-CB 3.38Å; H523-E526 PolarHBondContact O-N 3.33Å; R524-E526 PolarHBondContact O-N 3.12Å
527	T	58.2	Low	60.1	Low	96 Å²	96	106.7 Å²	106.7	59%	0.589	54%	0.542	S	S	*	.	H	α-helix	trans	-75.1	-24.4	-179.2	59.2	0	0	0	0	113.8	H523 R524	H523-T527 PolarHBondContact O-N 2.86Å; R524-T527 PolarHBondContact O-N 2.91Å; R524-T527 PolarHBondContact O-OG1 3.14Å; R524-T527 VanDerWaalsContact O-OG1 3.06Å
528	N	58.3	Low	58.7	Low	133 Å²	133	110.5 Å²	110.5	71%	0.711	56%	0.558	S	S	*	*	H	α-helix	trans	-97	-10.3	-176.2	-74.6	-1.7	0	0	0	114.3	R524 P530	R524-N528 PolarHBondContact O-N 2.96Å; N528-P530 WeakPolarHBondContact O-CD 3.32Å
529	E	53.2	Low	57	Low	88 Å²	88	113.7 Å²	113.7	41%	0.411	58%	0.576	S	S	.	*	S	Bend	trans	-78.3	116.9	172.2	-85	179.1	167.9	0	0	108.6	R31 K525 F531	R31-E529 IonicContact CZ-OE2 2.92Å; R31-E529 IonicContact NH1-OE2 3.31Å; R31-E529 PolarHBondContact NH1-OE2 3.06Å; R31-E529 IonicContact NH2-OE1 2.72Å; R31-E529 PolarHBondContact NH2-OE1 3.04Å; R31-E529 IonicContact NH2-OE2 3Å; R31-E529 PolarHBondContact NH2-OE2 2.9Å; K525-E529 PolarHBondContact O-N 3.42Å; E529-F531 PolarHBondContact O-N 3.05Å
530	P	50	Low	55.2	Low	105 Å²	105	119.4 Å²	119.4	68%	0.682	60%	0.596	S	S	*	*			trans	-60.4	127.3	176.7	23.8	-30.4	0	0	0	108	N528 I532	N528-P530 WeakPolarHBondContact O-CD 3.32Å; P530-I532 VanDerWaalsContact C-N 3.25Å; P530-I532 PolarHBondContact O-N 2.99Å
531	F	49.3	Very low	53.4	Low	165 Å²	165	123.9 Å²	123.9	72%	0.724	61%	0.612	S	S	*	*			trans	-57.2	98.4	162.9	-83.6	-92.5	0	0	0	106.7	E529 R533	E529-F531 PolarHBondContact O-N 3.05Å; F531-R533 PolarHBondContact O-N 3.4Å
532	I	48.6	Very low	51.9	Low	134 Å²	134	128.5 Å²	128.5	69%	0.687	63%	0.625	S	S	*	*			trans	-66.8	94.7	173.1	-58	177.7	0	0	0	105.5	P530 L534	P530-I532 VanDerWaalsContact C-N 3.25Å; P530-I532 PolarHBondContact O-N 2.99Å; I532-L534 HydrophobicContact CG2-CD2 4.11Å; I532-L534 HydrophobicContact CG2-CG 4.03Å; I532-L534 PolarHBondContact O-N 3.29Å
533	R	43.3	Very low	50.3	Low	194 Å²	194	130.9 Å²	130.9	73%	0.732	65%	0.647	S	S	*	*			trans	-74.5	98.8	170	-63.9	-176	-171.7	-169.9	2.4	106.2	F531	F531-R533 PolarHBondContact O-N 3.4Å
534	L	47.5	Very low	48.8	Very low	113 Å²	113	132.4 Å²	132.4	59%	0.592	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-80.4	132.9	168.6	-70.5	169.6	0	0	0	108.2	I532	I532-L534 HydrophobicContact CG2-CD2 4.11Å; I532-L534 HydrophobicContact CG2-CG 4.03Å; I532-L534 PolarHBondContact O-N 3.29Å
535	P	41.6	Very low	47.5	Very low	112 Å²	112	133.5 Å²	133.5	73%	0.727	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-56.9	147.2	166.6	-16.4	28.8	0	0	0	109.5	D537	P535-D537 PolarHBondContact O-N 3.25Å; P535-D537 VanDerWaalsContact O-N 3.14Å
536	I	46.2	Very low	46.1	Very low	86 Å²	86	134.5 Å²	134.5	44%	0.441	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-60.4	119.6	169.2	-62.8	170.3	0	0	0	106.7	N538	I536-N538 WeakPolarHBondContact CG2-OD1 3.4Å; I536-N538 PolarHBondContact O-N 3.44Å; I536-N538 VanDerWaalsContact O-N 3.08Å
537	D	46.1	Very low	45.4	Very low	107 Å²	107	141.2 Å²	141.2	57%	0.572	72%	0.722	S	S	*	*			trans	-71.3	96.9	170.7	-172.2	3.7	0	0	0	107.4	P535 D539	P535-D537 PolarHBondContact O-N 3.25Å; P535-D537 VanDerWaalsContact O-N 3.14Å; D537-D539 PolarHBondContact O-N 3.12Å; D537-D539 PolarHBondContact OD1-N 3.07Å
538	N	48.7	Very low	44.8	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-2.7	177.6	-82.6	-12.4	0	0	0	112.6	I536	I536-N538 WeakPolarHBondContact CG2-OD1 3.4Å; I536-N538 PolarHBondContact O-N 3.44Å; I536-N538 VanDerWaalsContact O-N 3.08Å
539	D	44.3	Very low	44	Very low	143 Å²	143	144 Å²	144	77%	0.765	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	10.4	-175.8	-67.6	-16.8	0	0	0	113.8	D537 E541	D537-D539 PolarHBondContact O-N 3.12Å; D537-D539 PolarHBondContact OD1-N 3.07Å; D539-E541 PolarHBondContact O-N 2.83Å; D539-E541 VanDerWaalsContact O-N 3.09Å
540	K	41.8	Very low	43.5	Very low	176 Å²	176	147.1 Å²	147.1	77%	0.765	75%	0.747	S	S	*	*			trans	-82.8	76.5	156.8	-76.6	-169.8	179.1	-178.8	0	109.7	F542	K540-F542 PolarHBondContact O-N 3.19Å
541	E	40.4	Very low	43.2	Very low	175 Å²	175	149.6 Å²	149.6	82%	0.818	75%	0.751	S	S	*	*			trans	-43	130.8	159.7	-84.5	-177.2	147.1	0	0	109.8	D539 S543	D539-E541 PolarHBondContact O-N 2.83Å; D539-E541 VanDerWaalsContact O-N 3.09Å; E541-S543 PolarHBondContact O-N 2.81Å
542	F	42.2	Very low	42.8	Very low	185 Å²	185	148.6 Å²	148.6	81%	0.811	75%	0.753	S	S	*	*			trans	-55.3	82.1	165.4	-82.8	-105.2	0	0	0	110.1	K540 Y545	K540-F542 PolarHBondContact O-N 3.19Å; F542-Y545 HydrophobicContact CD1-CD2 4.23Å; F542-Y545 HydrophobicContact CE1-CE2 4.47Å
543	S	38.5	Very low	42.4	Very low	99 Å²	99	149.6 Å²	149.6	69%	0.692	76%	0.757	S	S	*	*			trans	-82.8	124.6	153.2	67.4	0	0	0	0	107.4	E541	E541-S543 PolarHBondContact O-N 2.81Å
544	D	39.1	Very low	42.3	Very low	144 Å²	144	146.4 Å²	146.4	77%	0.77	76%	0.759	S	S	*	*			trans	92.2	64.6	174.6	-54.7	-23.6	0	0	0	116.8
545	Y	40.5	Very low	41.9	Very low	204 Å²	204	149 Å²	149	80%	0.8	77%	0.772	S	S	*	*			trans	-117	85.4	132.8	-93.4	-84	0	0	0	108.9	F542	F542-Y545 HydrophobicContact CD1-CD2 4.23Å; F542-Y545 HydrophobicContact CE1-CE2 4.47Å
546	N	35.4	Very low	42	Very low	155 Å²	155	152.1 Å²	152.1	83%	0.829	78%	0.776	S	S	*	*			trans	-117.8	85.1	157.5	-99.6	-25.7	0	0	0	107.3
547	T	40.4	Very low	41.6	Very low	212 Å²	212	158.1 Å²	158.1	100%	1.301	81%	0.806	S	S	*	*			trans	-175.1	0	137.8	18.6	0	0	0	0	109.8

Retrieved 547 of 547 residues in 230.2 ms (Link to these results)

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